Mon Dec 2 16:57:38 UTC 2024 I: starting to build libcifpp/unstable/amd64 on jenkins on '2024-12-02 16:57' Mon Dec 2 16:57:38 UTC 2024 I: The jenkins build log is/was available at https://jenkins.debian.net/userContent/reproducible/debian/build_service/amd64_6/26918/console.log Mon Dec 2 16:57:38 UTC 2024 I: Downloading source for unstable/libcifpp=7.0.7-3 --2024-12-02 16:57:38-- http://deb.debian.org/debian/pool/main/libc/libcifpp/libcifpp_7.0.7-3.dsc Connecting to 46.16.76.132:3128... connected. Proxy request sent, awaiting response... 200 OK Length: 2408 (2.4K) [text/prs.lines.tag] Saving to: ‘libcifpp_7.0.7-3.dsc’ 0K .. 100% 282M=0s 2024-12-02 16:57:38 (282 MB/s) - ‘libcifpp_7.0.7-3.dsc’ saved [2408/2408] Mon Dec 2 16:57:38 UTC 2024 I: libcifpp_7.0.7-3.dsc -----BEGIN PGP SIGNED MESSAGE----- Hash: SHA512 Format: 3.0 (quilt) Source: libcifpp Binary: libcifpp-dev, libcifpp-doc, libcifpp7, libcifpp-data Architecture: any all Version: 7.0.7-3 Maintainer: Debian Med Packaging Team Uploaders: Maarten L. Hekkelman , Andreas Tille , Homepage: https://github.com/PDB-REDO/libcifpp Standards-Version: 4.6.0 Vcs-Browser: https://salsa.debian.org/med-team/libcifpp Vcs-Git: https://salsa.debian.org/med-team/libcifpp.git Testsuite: autopkgtest Testsuite-Triggers: build-essential, cmake, zlib1g-dev Build-Depends: debhelper-compat (= 13), libboost-dev, libboost-regex-dev, libeigen3-dev, zlib1g-dev, po-debconf, catch2, cmake, doxygen, python3-exhale, python3-sphinx-rtd-theme, python3-myst-parser Package-List: libcifpp-data deb libs optional arch=all libcifpp-dev deb libdevel optional arch=any libcifpp-doc deb doc optional arch=all libcifpp7 deb libs optional arch=any Checksums-Sha1: ad6b2945dcfdfaeaf49cb9cf46e5e7b4cc1ddf4c 2648232 libcifpp_7.0.7.orig.tar.gz 0de73c37bce32825bff375a7bba9293d5ffbc708 8588 libcifpp_7.0.7-3.debian.tar.xz Checksums-Sha256: 0e88805b4704d4a899aeee6df5aaace1d6b47d8ccb3a3f39b35bc5a3997c09ac 2648232 libcifpp_7.0.7.orig.tar.gz 009e4c2db65f5ed73238da5e65ecc21e0a77c35312e60e0d3403200a2dd3bcfc 8588 libcifpp_7.0.7-3.debian.tar.xz Files: a2fc3ffbc25795e45d21f4529df8cb42 2648232 libcifpp_7.0.7.orig.tar.gz 5afdb37f8c43e03cb6434e5f72042a0f 8588 libcifpp_7.0.7-3.debian.tar.xz -----BEGIN PGP SIGNATURE----- iQJKBAEBCgA0FiEEpytoJCJrtAfiS56AWHUD7Hrn7c4FAmcgib4WHG1hYXJ0ZW5A aGVra2VsbWFuLmNvbQAKCRBYdQPseuftzmwfD/0esDIqRuqVJSxFTuLcFxhNV/8f rZopnDG4I+BIlBGBNGianwLIZG1u2l5aCa8Ze1hawTgBVKNhvtY9iENGfDu5k7tL 2BxgyfrswoD+G0cNR+kDwmM8kMdGFtXr/OOLPzi/JU8U6MUhIMbgiEAK1+uRWDtf Aga9TDO+f36vCIm7VtWILvxZ2O4sFrGitH5MFgWBjBgo6HnbUr5SUS5PmyfcG39U ySdpM9/nJhib1T4sdCWHPdmeGtQgfdbFKlzZF8GtAOWp75MTxVoOcriRlzAkjseN 7AtaXy7+1Q5cMH0Fcbi6VNfCRjRL3t9ce0p4WtZ8664uJ6nFQkTbMZ545DLJWUQC fT2j7/fWwpfniN9KMpN+wXUiYh+WMrEZXmJDEH4eh+nE7bAXRU0eeOgLXvgKjkJq 3a+YBTrhZ8jwrxpVFnbliqrp2gSkiGJu2FUwI9/8Iyum+tThErHhUvGLlisQZNxj OlDtL3eZ8p7js26pSWDBtoCACck66qEmnIM2UrwlXav5ltcD+ywtS2ccEEWYCOZ9 /DuqJX6s4hBHZEFZCWM37/tGUldheSppL+ffE19JGP+yeqsxpLtWq6vJ0C+qmH9n /IazC9wJYIh2jOekyix3XeqYkvJBGFrTvdUyxm3TMhXiB6dxzJjkw6QOZbtxNgMz d02FXcd+iGFX9l9f/Q== =CPp4 -----END PGP SIGNATURE----- Mon Dec 2 16:57:38 UTC 2024 I: Checking whether the package is not for us Mon Dec 2 16:57:38 UTC 2024 I: Starting 1st build on remote node ionos5-amd64.debian.net. Mon Dec 2 16:57:38 UTC 2024 I: Preparing to do remote build '1' on ionos5-amd64.debian.net. Mon Dec 2 17:00:48 UTC 2024 I: Deleting $TMPDIR on ionos5-amd64.debian.net. I: pbuilder: network access will be disabled during build I: Current time: Sun Jan 4 11:20:40 -12 2026 I: pbuilder-time-stamp: 1767568840 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration W: --override-config is not set; not updating apt.conf Read the manpage for details. I: mounting /proc filesystem I: mounting /sys filesystem I: creating /{dev,run}/shm I: mounting /dev/pts filesystem I: redirecting /dev/ptmx to /dev/pts/ptmx I: policy-rc.d already exists I: Copying source file I: copying [libcifpp_7.0.7-3.dsc] I: copying [./libcifpp_7.0.7.orig.tar.gz] I: copying [./libcifpp_7.0.7-3.debian.tar.xz] I: Extracting source gpgv: Signature made Tue Oct 29 07:07:42 2024 gpgv: using RSA key A72B6824226BB407E24B9E80587503EC7AE7EDCE gpgv: issuer "maarten@hekkelman.com" gpgv: Can't check signature: No public key dpkg-source: warning: cannot verify inline signature for ./libcifpp_7.0.7-3.dsc: no acceptable signature found dpkg-source: info: extracting libcifpp in libcifpp-7.0.7 dpkg-source: info: unpacking libcifpp_7.0.7.orig.tar.gz dpkg-source: info: unpacking libcifpp_7.0.7-3.debian.tar.xz I: Not using root during the build. I: Installing the build-deps I: user script /srv/workspace/pbuilder/3166487/tmp/hooks/D02_print_environment starting I: set BUILDDIR='/build/reproducible-path' BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' BUILDUSERNAME='pbuilder1' BUILD_ARCH='amd64' DEBIAN_FRONTEND='noninteractive' DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' DISTRIBUTION='unstable' HOME='/root' HOST_ARCH='amd64' IFS=' ' INVOCATION_ID='919ee39ee7a24d9dad9833e0af7524ab' LANG='C' LANGUAGE='en_US:en' LC_ALL='C' MAIL='/var/mail/root' OPTIND='1' PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' PBCURRENTCOMMANDLINEOPERATION='build' PBUILDER_OPERATION='build' PBUILDER_PKGDATADIR='/usr/share/pbuilder' PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' PBUILDER_SYSCONFDIR='/etc' PPID='3166487' PS1='# ' PS2='> ' PS4='+ ' PWD='/' SHELL='/bin/bash' SHLVL='2' SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.RWjhhAim/pbuilderrc_9QhU --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.RWjhhAim/b1 --logfile b1/build.log libcifpp_7.0.7-3.dsc' SUDO_GID='110' SUDO_UID='105' SUDO_USER='jenkins' TERM='unknown' TZ='/usr/share/zoneinfo/Etc/GMT+12' USER='root' _='/usr/bin/systemd-run' http_proxy='http://213.165.73.152:3128' I: uname -a Linux ionos5-amd64 6.11.5+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.11.5-1~bpo12+1 (2024-11-11) x86_64 GNU/Linux I: ls -l /bin lrwxrwxrwx 1 root root 7 Nov 22 2024 /bin -> usr/bin I: user script /srv/workspace/pbuilder/3166487/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy Version: 0.invalid.0 Architecture: amd64 Maintainer: Debian Pbuilder Team Description: Dummy package to satisfy dependencies with aptitude - created by pbuilder This package was created automatically by pbuilder to satisfy the build-dependencies of the package being currently built. Depends: debhelper-compat (= 13), libboost-dev, libboost-regex-dev, libeigen3-dev, zlib1g-dev, po-debconf, catch2, cmake, doxygen, python3-exhale, python3-sphinx-rtd-theme, python3-myst-parser dpkg-deb: building package 'pbuilder-satisfydepends-dummy' in '/tmp/satisfydepends-aptitude/pbuilder-satisfydepends-dummy.deb'. Selecting previously unselected package pbuilder-satisfydepends-dummy. (Reading database ... 19969 files and directories currently installed.) Preparing to unpack .../pbuilder-satisfydepends-dummy.deb ... Unpacking pbuilder-satisfydepends-dummy (0.invalid.0) ... dpkg: pbuilder-satisfydepends-dummy: dependency problems, but configuring anyway as you requested: pbuilder-satisfydepends-dummy depends on debhelper-compat (= 13); however: Package debhelper-compat is not installed. pbuilder-satisfydepends-dummy depends on libboost-dev; however: Package libboost-dev is not installed. pbuilder-satisfydepends-dummy depends on libboost-regex-dev; however: Package libboost-regex-dev is not installed. pbuilder-satisfydepends-dummy depends on libeigen3-dev; however: Package libeigen3-dev is not installed. pbuilder-satisfydepends-dummy depends on zlib1g-dev; however: Package zlib1g-dev is not installed. pbuilder-satisfydepends-dummy depends on po-debconf; however: Package po-debconf is not installed. pbuilder-satisfydepends-dummy depends on catch2; however: Package catch2 is not installed. pbuilder-satisfydepends-dummy depends on cmake; however: Package cmake is not installed. pbuilder-satisfydepends-dummy depends on doxygen; however: Package doxygen is not installed. pbuilder-satisfydepends-dummy depends on python3-exhale; however: Package python3-exhale is not installed. pbuilder-satisfydepends-dummy depends on python3-sphinx-rtd-theme; however: Package python3-sphinx-rtd-theme is not installed. pbuilder-satisfydepends-dummy depends on python3-myst-parser; however: Package python3-myst-parser is not installed. Setting up pbuilder-satisfydepends-dummy (0.invalid.0) ... Reading package lists... Building dependency tree... Reading state information... Initializing package states... Writing extended state information... Building tag database... pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) pbuilder-satisfydepends-dummy is already installed at the requested version (0.invalid.0) The following NEW packages will be installed: autoconf{a} automake{a} autopoint{a} autotools-dev{a} bsdextrautils{a} ca-certificates{a} catch2{a} cmake{a} cmake-data{a} debhelper{a} dh-autoreconf{a} dh-strip-nondeterminism{a} docutils-common{a} doxygen{a} dwz{a} file{a} fontconfig{a} fontconfig-config{a} fonts-dejavu-core{a} fonts-dejavu-mono{a} fonts-font-awesome{a} fonts-lato{a} gettext{a} gettext-base{a} graphviz{a} groff-base{a} icu-devtools{a} intltool-debian{a} libabsl20230802{a} libann0{a} libaom3{a} libarchive-zip-perl{a} libarchive13t64{a} libavif16{a} libboost-dev{a} libboost-regex-dev{a} libboost-regex1.83-dev{a} libboost-regex1.83.0{a} libboost1.83-dev{a} libbrotli1{a} libcairo2{a} libcatch2-dev{a} libcdt5{a} libcgraph6{a} libclang-cpp19{a} libclang1-19{a} libcom-err2{a} libcurl4t64{a} libdatrie1{a} libdav1d7{a} libde265-0{a} libdebhelper-perl{a} libdeflate0{a} libedit2{a} libeigen3-dev{a} libelf1t64{a} libexpat1{a} libfile-stripnondeterminism-perl{a} libfmt10{a} libfontconfig1{a} libfreetype6{a} libfribidi0{a} libgav1-1{a} libgd3{a} libglib2.0-0t64{a} libgraphite2-3{a} libgssapi-krb5-2{a} libgts-0.7-5t64{a} libgvc6{a} libgvpr2{a} libharfbuzz0b{a} libheif-plugin-dav1d{a} libheif-plugin-libde265{a} libheif1{a} libice6{a} libicu-dev{a} libicu72{a} libimagequant0{a} libjbig0{a} libjpeg62-turbo{a} libjs-jquery{a} libjs-sphinxdoc{a} libjs-underscore{a} libjson-perl{a} libjsoncpp26{a} libk5crypto3{a} libkeyutils1{a} libkrb5-3{a} libkrb5support0{a} liblab-gamut1{a} libldap-2.5-0{a} liblerc4{a} libllvm19{a} libltdl7{a} libmagic-mgc{a} libmagic1t64{a} libnghttp2-14{a} libnsl2{a} libpango-1.0-0{a} libpangocairo-1.0-0{a} libpangoft2-1.0-0{a} libpathplan4{a} libpipeline1{a} libpixman-1-0{a} libpkgconf3{a} libpng16-16t64{a} libproc2-0{a} libpsl5t64{a} libpython3-stdlib{a} libpython3.12-minimal{a} libpython3.12-stdlib{a} libraqm0{a} librav1e0.7{a} libreadline8t64{a} librhash1{a} librtmp1{a} libsasl2-2{a} libsasl2-modules-db{a} libsharpyuv0{a} libsm6{a} libssh2-1t64{a} libsvtav1enc2{a} libthai-data{a} libthai0{a} libtiff6{a} libtirpc-common{a} libtirpc3t64{a} libtool{a} libuchardet0{a} libuv1t64{a} libwebp7{a} libx11-6{a} libx11-data{a} libxau6{a} libxaw7{a} libxcb-render0{a} libxcb-shm0{a} libxcb1{a} libxdmcp6{a} libxext6{a} libxml2{a} libxmu6{a} libxpm4{a} libxrender1{a} libxslt1.1{a} libxt6t64{a} libyaml-0-2{a} libyuv0{a} libz3-4{a} m4{a} man-db{a} media-types{a} netbase{a} openssl{a} pkg-config{a} pkgconf{a} pkgconf-bin{a} po-debconf{a} procps{a} python-babel-localedata{a} python3{a} python3-alabaster{a} python3-autocommand{a} python3-babel{a} python3-breathe{a} python3-bs4{a} python3-certifi{a} python3-chardet{a} python3-charset-normalizer{a} python3-defusedxml{a} python3-docutils{a} python3-exhale{a} python3-idna{a} python3-imagesize{a} python3-inflect{a} python3-jaraco.context{a} python3-jaraco.functools{a} python3-jinja2{a} python3-lxml{a} python3-markdown-it{a} python3-markupsafe{a} python3-mdit-py-plugins{a} python3-mdurl{a} python3-minimal{a} python3-more-itertools{a} python3-myst-parser{a} python3-packaging{a} python3-pkg-resources{a} python3-pygments{a} python3-requests{a} python3-roman{a} python3-six{a} python3-snowballstemmer{a} python3-soupsieve{a} python3-sphinx{a} python3-sphinx-rtd-theme{a} python3-sphinxcontrib.jquery{a} python3-typeguard{a} python3-typing-extensions{a} python3-urllib3{a} python3-yaml{a} python3.12{a} python3.12-minimal{a} readline-common{a} sensible-utils{a} sgml-base{a} sphinx-common{a} sphinx-rtd-theme-common{a} tzdata{a} x11-common{a} xml-core{a} zlib1g-dev{a} The following packages are RECOMMENDED but will NOT be installed: curl fonts-liberation javascript-common krb5-locales libarchive-cpio-perl libglib2.0-data libgts-bin libheif-plugin-aomenc libheif-plugin-x265 libjson-xs-perl libldap-common libltdl-dev libmail-sendmail-perl libpaper-utils libsasl2-modules linux-sysctl-defaults lynx psmisc publicsuffix python3-cssselect python3-html5lib python3-pil shared-mime-info wget xdg-user-dirs 0 packages upgraded, 212 newly installed, 0 to remove and 0 not upgraded. Need to get 169 MB of archives. After unpacking 828 MB will be used. Writing extended state information... Get: 1 http://deb.debian.org/debian unstable/main amd64 fonts-lato all 2.015-1 [2780 kB] Get: 2 http://deb.debian.org/debian unstable/main amd64 libpython3.12-minimal amd64 3.12.7-3 [815 kB] Get: 3 http://deb.debian.org/debian unstable/main amd64 libexpat1 amd64 2.6.4-1 [106 kB] Get: 4 http://deb.debian.org/debian unstable/main amd64 python3.12-minimal amd64 3.12.7-3 [2162 kB] Get: 5 http://deb.debian.org/debian unstable/main amd64 python3-minimal amd64 3.12.7-1 [26.8 kB] Get: 6 http://deb.debian.org/debian unstable/main amd64 media-types all 10.1.0 [26.9 kB] Get: 7 http://deb.debian.org/debian unstable/main amd64 netbase all 6.4 [12.8 kB] Get: 8 http://deb.debian.org/debian unstable/main amd64 tzdata all 2024b-3 [255 kB] Get: 9 http://deb.debian.org/debian unstable/main amd64 libkrb5support0 amd64 1.21.3-3 [32.5 kB] Get: 10 http://deb.debian.org/debian unstable/main amd64 libcom-err2 amd64 1.47.2~rc1-1 [23.6 kB] Get: 11 http://deb.debian.org/debian unstable/main amd64 libk5crypto3 amd64 1.21.3-3 [79.9 kB] Get: 12 http://deb.debian.org/debian unstable/main amd64 libkeyutils1 amd64 1.6.3-4 [9092 B] Get: 13 http://deb.debian.org/debian unstable/main amd64 libkrb5-3 amd64 1.21.3-3 [324 kB] Get: 14 http://deb.debian.org/debian unstable/main amd64 libgssapi-krb5-2 amd64 1.21.3-3 [136 kB] Get: 15 http://deb.debian.org/debian unstable/main amd64 libtirpc-common all 1.3.4+ds-1.3 [10.9 kB] Get: 16 http://deb.debian.org/debian unstable/main amd64 libtirpc3t64 amd64 1.3.4+ds-1.3+b1 [83.1 kB] Get: 17 http://deb.debian.org/debian unstable/main amd64 libnsl2 amd64 1.3.0-3+b3 [40.6 kB] Get: 18 http://deb.debian.org/debian unstable/main amd64 readline-common all 8.2-5 [69.3 kB] Get: 19 http://deb.debian.org/debian unstable/main amd64 libreadline8t64 amd64 8.2-5 [169 kB] Get: 20 http://deb.debian.org/debian unstable/main amd64 libpython3.12-stdlib amd64 3.12.7-3 [1966 kB] Get: 21 http://deb.debian.org/debian unstable/main amd64 python3.12 amd64 3.12.7-3 [671 kB] Get: 22 http://deb.debian.org/debian unstable/main amd64 libpython3-stdlib amd64 3.12.7-1 [9712 B] Get: 23 http://deb.debian.org/debian unstable/main amd64 python3 amd64 3.12.7-1 [27.8 kB] Get: 24 http://deb.debian.org/debian unstable/main amd64 sgml-base all 1.31 [15.4 kB] Get: 25 http://deb.debian.org/debian unstable/main amd64 libproc2-0 amd64 2:4.0.4-6 [64.8 kB] Get: 26 http://deb.debian.org/debian unstable/main amd64 procps amd64 2:4.0.4-6 [879 kB] Get: 27 http://deb.debian.org/debian unstable/main amd64 sensible-utils all 0.0.24 [24.8 kB] Get: 28 http://deb.debian.org/debian unstable/main amd64 openssl amd64 3.3.2-2 [1382 kB] Get: 29 http://deb.debian.org/debian unstable/main amd64 ca-certificates all 20240203 [158 kB] Get: 30 http://deb.debian.org/debian unstable/main amd64 libmagic-mgc amd64 1:5.45-3+b1 [314 kB] Get: 31 http://deb.debian.org/debian unstable/main amd64 libmagic1t64 amd64 1:5.45-3+b1 [108 kB] Get: 32 http://deb.debian.org/debian unstable/main amd64 file amd64 1:5.45-3+b1 [43.3 kB] Get: 33 http://deb.debian.org/debian unstable/main amd64 gettext-base amd64 0.22.5-2 [200 kB] Get: 34 http://deb.debian.org/debian unstable/main amd64 libuchardet0 amd64 0.0.8-1+b2 [68.9 kB] Get: 35 http://deb.debian.org/debian unstable/main amd64 groff-base amd64 1.23.0-5 [1181 kB] Get: 36 http://deb.debian.org/debian unstable/main amd64 bsdextrautils amd64 2.40.2-11 [91.5 kB] Get: 37 http://deb.debian.org/debian unstable/main amd64 libpipeline1 amd64 1.5.8-1 [42.0 kB] Get: 38 http://deb.debian.org/debian unstable/main amd64 man-db amd64 2.13.0-1 [1420 kB] Get: 39 http://deb.debian.org/debian unstable/main amd64 m4 amd64 1.4.19-4 [287 kB] Get: 40 http://deb.debian.org/debian unstable/main amd64 autoconf all 2.72-3 [493 kB] Get: 41 http://deb.debian.org/debian unstable/main amd64 autotools-dev all 20220109.1 [51.6 kB] Get: 42 http://deb.debian.org/debian unstable/main amd64 automake all 1:1.16.5-1.3 [823 kB] Get: 43 http://deb.debian.org/debian unstable/main amd64 autopoint all 0.22.5-2 [723 kB] Get: 44 http://deb.debian.org/debian unstable/main amd64 libcatch2-dev amd64 3.7.1-0.4 [613 kB] Get: 45 http://deb.debian.org/debian unstable/main amd64 catch2 all 3.7.1-0.4 [5052 B] Get: 46 http://deb.debian.org/debian unstable/main amd64 cmake-data all 3.31.1-1 [2267 kB] Get: 47 http://deb.debian.org/debian unstable/main amd64 libicu72 amd64 72.1-5+b1 [9423 kB] Get: 48 http://deb.debian.org/debian unstable/main amd64 libxml2 amd64 2.12.7+dfsg+really2.9.14-0.2+b1 [699 kB] Get: 49 http://deb.debian.org/debian unstable/main amd64 libarchive13t64 amd64 3.7.4-1.1 [349 kB] Get: 50 http://deb.debian.org/debian unstable/main amd64 libbrotli1 amd64 1.1.0-2+b6 [302 kB] Get: 51 http://deb.debian.org/debian unstable/main amd64 libsasl2-modules-db amd64 2.1.28+dfsg1-8 [19.6 kB] Get: 52 http://deb.debian.org/debian unstable/main amd64 libsasl2-2 amd64 2.1.28+dfsg1-8 [57.3 kB] Get: 53 http://deb.debian.org/debian unstable/main amd64 libldap-2.5-0 amd64 2.5.18+dfsg-3+b1 [188 kB] Get: 54 http://deb.debian.org/debian unstable/main amd64 libnghttp2-14 amd64 1.64.0-1 [75.5 kB] Get: 55 http://deb.debian.org/debian unstable/main amd64 libpsl5t64 amd64 0.21.2-1.1+b1 [57.2 kB] Get: 56 http://deb.debian.org/debian unstable/main amd64 librtmp1 amd64 2.4+20151223.gitfa8646d.1-2+b5 [58.8 kB] Get: 57 http://deb.debian.org/debian unstable/main amd64 libssh2-1t64 amd64 1.11.1-1 [245 kB] Get: 58 http://deb.debian.org/debian unstable/main amd64 libcurl4t64 amd64 8.11.0-1 [351 kB] Get: 59 http://deb.debian.org/debian unstable/main amd64 libjsoncpp26 amd64 1.9.6-3 [81.7 kB] Get: 60 http://deb.debian.org/debian unstable/main amd64 librhash1 amd64 1.4.5-1 [132 kB] Get: 61 http://deb.debian.org/debian unstable/main amd64 libuv1t64 amd64 1.48.0-7 [148 kB] Get: 62 http://deb.debian.org/debian unstable/main amd64 cmake amd64 3.31.1-1 [11.9 MB] Get: 63 http://deb.debian.org/debian unstable/main amd64 libdebhelper-perl all 13.20 [89.7 kB] Get: 64 http://deb.debian.org/debian unstable/main amd64 libtool all 2.4.7-8 [517 kB] Get: 65 http://deb.debian.org/debian unstable/main amd64 dh-autoreconf all 20 [17.1 kB] Get: 66 http://deb.debian.org/debian unstable/main amd64 libarchive-zip-perl all 1.68-1 [104 kB] Get: 67 http://deb.debian.org/debian unstable/main amd64 libfile-stripnondeterminism-perl all 1.14.0-1 [19.5 kB] Get: 68 http://deb.debian.org/debian unstable/main amd64 dh-strip-nondeterminism all 1.14.0-1 [8448 B] Get: 69 http://deb.debian.org/debian unstable/main amd64 libelf1t64 amd64 0.192-4 [189 kB] Get: 70 http://deb.debian.org/debian unstable/main amd64 dwz amd64 0.15-1+b1 [110 kB] Get: 71 http://deb.debian.org/debian unstable/main amd64 gettext amd64 0.22.5-2 [1601 kB] Get: 72 http://deb.debian.org/debian unstable/main amd64 intltool-debian all 0.35.0+20060710.6 [22.9 kB] Get: 73 http://deb.debian.org/debian unstable/main amd64 po-debconf all 1.0.21+nmu1 [248 kB] Get: 74 http://deb.debian.org/debian unstable/main amd64 debhelper all 13.20 [915 kB] Get: 75 http://deb.debian.org/debian unstable/main amd64 xml-core all 0.19 [20.1 kB] Get: 76 http://deb.debian.org/debian unstable/main amd64 docutils-common all 0.21.2+dfsg-2 [128 kB] Get: 77 http://deb.debian.org/debian unstable/main amd64 libedit2 amd64 3.1-20240808-1 [93.9 kB] Get: 78 http://deb.debian.org/debian unstable/main amd64 libz3-4 amd64 4.13.3-1 [8560 kB] Get: 79 http://deb.debian.org/debian unstable/main amd64 libllvm19 amd64 1:19.1.4-1 [26.0 MB] Get: 80 http://deb.debian.org/debian unstable/main amd64 libclang-cpp19 amd64 1:19.1.4-1 [13.2 MB] Get: 81 http://deb.debian.org/debian unstable/main amd64 libclang1-19 amd64 1:19.1.4-1 [7622 kB] Get: 82 http://deb.debian.org/debian unstable/main amd64 libfmt10 amd64 10.1.1+ds1-4 [127 kB] Get: 83 http://deb.debian.org/debian unstable/main amd64 doxygen amd64 1.9.8+ds-2+b3 [5011 kB] Get: 84 http://deb.debian.org/debian unstable/main amd64 libpng16-16t64 amd64 1.6.44-2 [280 kB] Get: 85 http://deb.debian.org/debian unstable/main amd64 libfreetype6 amd64 2.13.3+dfsg-1 [452 kB] Get: 86 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-mono all 2.37-8 [489 kB] Get: 87 http://deb.debian.org/debian unstable/main amd64 fonts-dejavu-core all 2.37-8 [840 kB] Get: 88 http://deb.debian.org/debian unstable/main amd64 fontconfig-config amd64 2.15.0-1.1+b1 [318 kB] Get: 89 http://deb.debian.org/debian unstable/main amd64 libfontconfig1 amd64 2.15.0-1.1+b1 [391 kB] Get: 90 http://deb.debian.org/debian unstable/main amd64 fontconfig amd64 2.15.0-1.1+b1 [463 kB] Get: 91 http://deb.debian.org/debian unstable/main amd64 fonts-font-awesome all 5.0.10+really4.7.0~dfsg-4.1 [517 kB] Get: 92 http://deb.debian.org/debian unstable/main amd64 libann0 amd64 1.1.2+doc-9+b1 [25.1 kB] Get: 93 http://deb.debian.org/debian unstable/main amd64 libcdt5 amd64 2.42.4-2+b1 [40.5 kB] Get: 94 http://deb.debian.org/debian unstable/main amd64 libcgraph6 amd64 2.42.4-2+b1 [64.2 kB] Get: 95 http://deb.debian.org/debian unstable/main amd64 libaom3 amd64 3.11.0-1 [1879 kB] Get: 96 http://deb.debian.org/debian unstable/main amd64 libdav1d7 amd64 1.5.0-1+b1 [550 kB] Get: 97 http://deb.debian.org/debian unstable/main amd64 libabsl20230802 amd64 20230802.1-4 [464 kB] Get: 98 http://deb.debian.org/debian unstable/main amd64 libgav1-1 amd64 0.19.0-2+b2 [350 kB] Get: 99 http://deb.debian.org/debian unstable/main amd64 librav1e0.7 amd64 0.7.1-7+b2 [936 kB] Get: 100 http://deb.debian.org/debian unstable/main amd64 libsvtav1enc2 amd64 2.2.1+dfsg-2 [2173 kB] Get: 101 http://deb.debian.org/debian unstable/main amd64 libjpeg62-turbo amd64 1:2.1.5-3+b1 [168 kB] Get: 102 http://deb.debian.org/debian unstable/main amd64 libyuv0 amd64 0.0.1898.20241125-1 [172 kB] Get: 103 http://deb.debian.org/debian unstable/main amd64 libavif16 amd64 1.1.1-1 [117 kB] Get: 104 http://deb.debian.org/debian unstable/main amd64 libsharpyuv0 amd64 1.4.0-0.1+b1 [113 kB] Get: 105 http://deb.debian.org/debian unstable/main amd64 libheif-plugin-dav1d amd64 1.19.3-1 [11.2 kB] Get: 106 http://deb.debian.org/debian unstable/main amd64 libde265-0 amd64 1.0.15-1+b2 [189 kB] Get: 107 http://deb.debian.org/debian unstable/main amd64 libheif-plugin-libde265 amd64 1.19.3-1 [15.0 kB] Get: 108 http://deb.debian.org/debian unstable/main amd64 libheif1 amd64 1.19.3-1 [489 kB] Get: 109 http://deb.debian.org/debian unstable/main amd64 libimagequant0 amd64 2.18.0-1+b2 [35.2 kB] Get: 110 http://deb.debian.org/debian unstable/main amd64 libfribidi0 amd64 1.0.15-1 [71.8 kB] Get: 111 http://deb.debian.org/debian unstable/main amd64 libglib2.0-0t64 amd64 2.82.2-3 [1501 kB] Get: 112 http://deb.debian.org/debian unstable/main amd64 libgraphite2-3 amd64 1.3.14-2+b1 [75.4 kB] Get: 113 http://deb.debian.org/debian unstable/main amd64 libharfbuzz0b amd64 10.0.1-1 [477 kB] Get: 114 http://deb.debian.org/debian unstable/main amd64 libraqm0 amd64 0.10.1-1+b2 [14.1 kB] Get: 115 http://deb.debian.org/debian unstable/main amd64 libdeflate0 amd64 1.22-1 [47.3 kB] Get: 116 http://deb.debian.org/debian unstable/main amd64 libjbig0 amd64 2.1-6.1+b2 [32.1 kB] Get: 117 http://deb.debian.org/debian unstable/main amd64 liblerc4 amd64 4.0.0+ds-5 [183 kB] Get: 118 http://deb.debian.org/debian unstable/main amd64 libwebp7 amd64 1.4.0-0.1+b1 [313 kB] Get: 119 http://deb.debian.org/debian unstable/main amd64 libtiff6 amd64 4.5.1+git230720-5 [324 kB] Get: 120 http://deb.debian.org/debian unstable/main amd64 libxau6 amd64 1:1.0.11-1 [20.4 kB] Get: 121 http://deb.debian.org/debian unstable/main amd64 libxdmcp6 amd64 1:1.1.5-1 [27.8 kB] Get: 122 http://deb.debian.org/debian unstable/main amd64 libxcb1 amd64 1.17.0-2+b1 [144 kB] Get: 123 http://deb.debian.org/debian unstable/main amd64 libx11-data all 2:1.8.10-2 [337 kB] Get: 124 http://deb.debian.org/debian unstable/main amd64 libx11-6 amd64 2:1.8.10-2 [813 kB] Get: 125 http://deb.debian.org/debian unstable/main amd64 libxpm4 amd64 1:3.5.17-1+b2 [56.3 kB] Get: 126 http://deb.debian.org/debian unstable/main amd64 libgd3 amd64 2.3.3-12+b1 [126 kB] Get: 127 http://deb.debian.org/debian unstable/main amd64 libgts-0.7-5t64 amd64 0.7.6+darcs121130-5.2+b1 [160 kB] Get: 128 http://deb.debian.org/debian unstable/main amd64 libpixman-1-0 amd64 0.44.0-3 [248 kB] Get: 129 http://deb.debian.org/debian unstable/main amd64 libxcb-render0 amd64 1.17.0-2+b1 [115 kB] Get: 130 http://deb.debian.org/debian unstable/main amd64 libxcb-shm0 amd64 1.17.0-2+b1 [105 kB] Get: 131 http://deb.debian.org/debian unstable/main amd64 libxext6 amd64 2:1.3.4-1+b2 [50.5 kB] Get: 132 http://deb.debian.org/debian unstable/main amd64 libxrender1 amd64 1:0.9.10-1.1+b2 [27.8 kB] Get: 133 http://deb.debian.org/debian unstable/main amd64 libcairo2 amd64 1.18.2-2 [535 kB] Get: 134 http://deb.debian.org/debian unstable/main amd64 libltdl7 amd64 2.4.7-8 [393 kB] Get: 135 http://deb.debian.org/debian unstable/main amd64 libthai-data all 0.1.29-2 [168 kB] Get: 136 http://deb.debian.org/debian unstable/main amd64 libdatrie1 amd64 0.2.13-3+b1 [38.1 kB] Get: 137 http://deb.debian.org/debian unstable/main amd64 libthai0 amd64 0.1.29-2+b1 [49.4 kB] Get: 138 http://deb.debian.org/debian unstable/main amd64 libpango-1.0-0 amd64 1.54.0+ds-3 [223 kB] Get: 139 http://deb.debian.org/debian unstable/main amd64 libpangoft2-1.0-0 amd64 1.54.0+ds-3 [54.2 kB] Get: 140 http://deb.debian.org/debian unstable/main amd64 libpangocairo-1.0-0 amd64 1.54.0+ds-3 [35.2 kB] Get: 141 http://deb.debian.org/debian unstable/main amd64 libpathplan4 amd64 2.42.4-2+b1 [42.8 kB] Get: 142 http://deb.debian.org/debian unstable/main amd64 libgvc6 amd64 2.42.4-2+b1 [685 kB] Get: 143 http://deb.debian.org/debian unstable/main amd64 libgvpr2 amd64 2.42.4-2+b1 [193 kB] Get: 144 http://deb.debian.org/debian unstable/main amd64 liblab-gamut1 amd64 2.42.4-2+b1 [198 kB] Get: 145 http://deb.debian.org/debian unstable/main amd64 x11-common all 1:7.7+23.1 [216 kB] Get: 146 http://deb.debian.org/debian unstable/main amd64 libice6 amd64 2:1.1.1-1 [65.4 kB] Get: 147 http://deb.debian.org/debian unstable/main amd64 libsm6 amd64 2:1.2.4-1 [35.2 kB] Get: 148 http://deb.debian.org/debian unstable/main amd64 libxt6t64 amd64 1:1.2.1-1.2+b1 [188 kB] Get: 149 http://deb.debian.org/debian unstable/main amd64 libxmu6 amd64 2:1.1.3-3+b3 [58.8 kB] Get: 150 http://deb.debian.org/debian unstable/main amd64 libxaw7 amd64 2:1.0.16-1 [212 kB] Get: 151 http://deb.debian.org/debian unstable/main amd64 graphviz amd64 2.42.4-2+b1 [616 kB] Get: 152 http://deb.debian.org/debian unstable/main amd64 icu-devtools amd64 72.1-5+b1 [210 kB] Get: 153 http://deb.debian.org/debian unstable/main amd64 libboost1.83-dev amd64 1.83.0-3.2+b2 [10.6 MB] Get: 154 http://deb.debian.org/debian unstable/main amd64 libboost-dev amd64 1.83.0.2+b2 [3836 B] Get: 155 http://deb.debian.org/debian unstable/main amd64 libboost-regex1.83.0 amd64 1.83.0-3.2+b2 [330 kB] Get: 156 http://deb.debian.org/debian unstable/main amd64 libicu-dev amd64 72.1-5+b1 [10.4 MB] Get: 157 http://deb.debian.org/debian unstable/main amd64 libboost-regex1.83-dev amd64 1.83.0-3.2+b2 [347 kB] Get: 158 http://deb.debian.org/debian unstable/main amd64 libboost-regex-dev amd64 1.83.0.2+b2 [3864 B] Get: 159 http://deb.debian.org/debian unstable/main amd64 libpkgconf3 amd64 1.8.1-4 [36.4 kB] Get: 160 http://deb.debian.org/debian unstable/main amd64 pkgconf-bin amd64 1.8.1-4 [30.2 kB] Get: 161 http://deb.debian.org/debian unstable/main amd64 pkgconf amd64 1.8.1-4 [26.2 kB] Get: 162 http://deb.debian.org/debian unstable/main amd64 pkg-config amd64 1.8.1-4 [14.0 kB] Get: 163 http://deb.debian.org/debian unstable/main amd64 libeigen3-dev all 3.4.0-4 [1041 kB] Get: 164 http://deb.debian.org/debian unstable/main amd64 libjs-jquery all 3.6.1+dfsg+~3.5.14-1 [326 kB] Get: 165 http://deb.debian.org/debian unstable/main amd64 libjs-underscore all 1.13.4~dfsg+~1.11.4-3 [116 kB] Get: 166 http://deb.debian.org/debian unstable/main amd64 libjs-sphinxdoc all 7.4.7-4 [158 kB] Get: 167 http://deb.debian.org/debian unstable/main amd64 libjson-perl all 4.10000-1 [87.5 kB] Get: 168 http://deb.debian.org/debian unstable/main amd64 libxslt1.1 amd64 1.1.35-1.1+b1 [233 kB] Get: 169 http://deb.debian.org/debian unstable/main amd64 libyaml-0-2 amd64 0.2.5-1+b2 [52.7 kB] Get: 170 http://deb.debian.org/debian unstable/main amd64 python-babel-localedata all 2.16.0-1 [5696 kB] Get: 171 http://deb.debian.org/debian unstable/main amd64 python3-alabaster all 0.7.16-0.1 [27.9 kB] Get: 172 http://deb.debian.org/debian unstable/main amd64 python3-autocommand all 2.2.2-3 [13.6 kB] Get: 173 http://deb.debian.org/debian unstable/main amd64 python3-more-itertools all 10.5.0-1 [63.8 kB] Get: 174 http://deb.debian.org/debian unstable/main amd64 python3-typing-extensions all 4.12.2-2 [73.0 kB] Get: 175 http://deb.debian.org/debian unstable/main amd64 python3-typeguard all 4.4.1-1 [37.0 kB] Get: 176 http://deb.debian.org/debian unstable/main amd64 python3-inflect all 7.3.1-2 [32.4 kB] Get: 177 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.context all 6.0.0-1 [7984 B] Get: 178 http://deb.debian.org/debian unstable/main amd64 python3-jaraco.functools all 4.1.0-1 [12.0 kB] Get: 179 http://deb.debian.org/debian unstable/main amd64 python3-pkg-resources all 75.2.0-1 [213 kB] Get: 180 http://deb.debian.org/debian unstable/main amd64 python3-babel all 2.16.0-1 [114 kB] Get: 181 http://deb.debian.org/debian unstable/main amd64 python3-roman all 4.2-1 [10.4 kB] Get: 182 http://deb.debian.org/debian unstable/main amd64 python3-docutils all 0.21.2+dfsg-2 [403 kB] Get: 183 http://deb.debian.org/debian unstable/main amd64 python3-defusedxml all 0.7.1-2 [43.3 kB] Get: 184 http://deb.debian.org/debian unstable/main amd64 sphinx-common all 7.4.7-4 [731 kB] Get: 185 http://deb.debian.org/debian unstable/main amd64 python3-imagesize all 1.4.1-1 [6688 B] Get: 186 http://deb.debian.org/debian unstable/main amd64 python3-markupsafe amd64 2.1.5-1+b2 [13.9 kB] Get: 187 http://deb.debian.org/debian unstable/main amd64 python3-jinja2 all 3.1.3-1 [119 kB] Get: 188 http://deb.debian.org/debian unstable/main amd64 python3-packaging all 24.2-1 [55.3 kB] Get: 189 http://deb.debian.org/debian unstable/main amd64 python3-pygments all 2.18.0+dfsg-1 [836 kB] Get: 190 http://deb.debian.org/debian unstable/main amd64 python3-certifi all 2024.8.30+dfsg-1 [9576 B] Get: 191 http://deb.debian.org/debian unstable/main amd64 python3-charset-normalizer amd64 3.4.0-1+b1 [140 kB] Get: 192 http://deb.debian.org/debian unstable/main amd64 python3-idna all 3.8-2 [41.6 kB] Get: 193 http://deb.debian.org/debian unstable/main amd64 python3-urllib3 all 2.2.3-3 [112 kB] Get: 194 http://deb.debian.org/debian unstable/main amd64 python3-chardet all 5.2.0+dfsg-1 [107 kB] Get: 195 http://deb.debian.org/debian unstable/main amd64 python3-requests all 2.32.3+dfsg-1 [71.9 kB] Get: 196 http://deb.debian.org/debian unstable/main amd64 python3-snowballstemmer all 2.2.0-4 [58.0 kB] Get: 197 http://deb.debian.org/debian unstable/main amd64 python3-sphinx all 7.4.7-4 [588 kB] Get: 198 http://deb.debian.org/debian unstable/main amd64 python3-breathe all 4.35.0-3 [78.2 kB] Get: 199 http://deb.debian.org/debian unstable/main amd64 python3-soupsieve all 2.6-1 [38.3 kB] Get: 200 http://deb.debian.org/debian unstable/main amd64 python3-bs4 all 4.12.3-3 [133 kB] Get: 201 http://deb.debian.org/debian unstable/main amd64 python3-lxml amd64 5.3.0-1+b1 [1676 kB] Get: 202 http://deb.debian.org/debian unstable/main amd64 python3-six all 1.16.0-7 [16.4 kB] Get: 203 http://deb.debian.org/debian unstable/main amd64 python3-exhale all 0.3.7-1 [86.6 kB] Get: 204 http://deb.debian.org/debian unstable/main amd64 python3-mdurl all 0.1.2-1 [9444 B] Get: 205 http://deb.debian.org/debian unstable/main amd64 python3-markdown-it all 3.0.0-2 [62.5 kB] Get: 206 http://deb.debian.org/debian unstable/main amd64 python3-mdit-py-plugins all 0.4.2-1 [32.4 kB] Get: 207 http://deb.debian.org/debian unstable/main amd64 python3-yaml amd64 6.0.2-1+b1 [178 kB] Get: 208 http://deb.debian.org/debian unstable/main amd64 python3-myst-parser all 4.0.0-1 [78.7 kB] Get: 209 http://deb.debian.org/debian unstable/main amd64 sphinx-rtd-theme-common all 3.0.2+dfsg-1 [1023 kB] Get: 210 http://deb.debian.org/debian unstable/main amd64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B] Get: 211 http://deb.debian.org/debian unstable/main amd64 python3-sphinx-rtd-theme all 3.0.2+dfsg-1 [29.5 kB] Get: 212 http://deb.debian.org/debian unstable/main amd64 zlib1g-dev amd64 1:1.3.dfsg+really1.3.1-1+b1 [920 kB] Fetched 169 MB in 3s (48.6 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package fonts-lato. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 19969 files and directories currently installed.) Preparing to unpack .../fonts-lato_2.015-1_all.deb ... Unpacking fonts-lato (2.015-1) ... Selecting previously unselected package libpython3.12-minimal:amd64. Preparing to unpack .../libpython3.12-minimal_3.12.7-3_amd64.deb ... Unpacking libpython3.12-minimal:amd64 (3.12.7-3) ... Selecting previously unselected package libexpat1:amd64. Preparing to unpack .../libexpat1_2.6.4-1_amd64.deb ... Unpacking libexpat1:amd64 (2.6.4-1) ... Selecting previously unselected package python3.12-minimal. Preparing to unpack .../python3.12-minimal_3.12.7-3_amd64.deb ... Unpacking python3.12-minimal (3.12.7-3) ... Setting up libpython3.12-minimal:amd64 (3.12.7-3) ... Setting up libexpat1:amd64 (2.6.4-1) ... Setting up python3.12-minimal (3.12.7-3) ... Selecting previously unselected package python3-minimal. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 20315 files and directories currently installed.) Preparing to unpack .../00-python3-minimal_3.12.7-1_amd64.deb ... Unpacking python3-minimal (3.12.7-1) ... Selecting previously unselected package media-types. Preparing to unpack .../01-media-types_10.1.0_all.deb ... Unpacking media-types (10.1.0) ... Selecting previously unselected package netbase. Preparing to unpack .../02-netbase_6.4_all.deb ... Unpacking netbase (6.4) ... 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Building tag database... -> Finished parsing the build-deps I: Building the package I: Running cd /build/reproducible-path/libcifpp-7.0.7/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../libcifpp_7.0.7-3_source.changes dpkg-buildpackage: info: source package libcifpp dpkg-buildpackage: info: source version 7.0.7-3 dpkg-buildpackage: info: source distribution unstable dpkg-buildpackage: info: source changed by Maarten L. Hekkelman dpkg-source --before-build . dpkg-buildpackage: info: host architecture amd64 debian/rules clean dh clean dh: warning: incorrect value in hardening option of DEB_BUILD_MAINT_OPTIONS variable: optimize=-lto dh_clean rm -f debian/debhelper-build-stamp rm -rf debian/.debhelper/ rm -f -- debian/libcifpp-dev.substvars debian/libcifpp-doc.substvars debian/libcifpp7.substvars debian/libcifpp-data.substvars debian/files rm -fr -- debian/libcifpp-dev/ debian/tmp/ debian/libcifpp-doc/ debian/libcifpp7/ debian/libcifpp-data/ find . \( \( \ \( -path .\*/.git -o -path .\*/.svn -o -path .\*/.bzr -o -path .\*/.hg -o -path .\*/CVS -o -path .\*/.pc -o -path .\*/_darcs \) -prune -o -type f -a \ \( -name '#*#' -o -name '.*~' -o -name '*~' -o -name DEADJOE \ -o -name '*.orig' -o -name '*.rej' -o -name '*.bak' \ -o -name '.*.orig' -o -name .*.rej -o -name '.SUMS' \ -o -name TAGS -o \( -path '*/.deps/*' -a -name '*.P' \) \ \) -exec rm -f {} + \) -o \ \( -type d -a \( -name autom4te.cache -o -name __pycache__ \) -prune -exec rm -rf {} + \) \) debian/rules binary dh binary dh: warning: incorrect value in hardening option of DEB_BUILD_MAINT_OPTIONS variable: optimize=-lto dh_update_autotools_config dh_autoreconf debian/rules override_dh_auto_configure make[1]: Entering directory '/build/reproducible-path/libcifpp-7.0.7' dh_auto_configure -- -DBUILD_SHARED_LIBS=ON -DENABLE_TESTING=ON -DCIFPP_DOWNLOAD_CCD=OFF -DBUILD_DOCUMENTATION=ON cd obj-x86_64-linux-gnu && DEB_PYTHON_INSTALL_LAYOUT=deb PKG_CONFIG=/usr/bin/pkg-config cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DFETCHCONTENT_FULLY_DISCONNECTED=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run -DCMAKE_SKIP_INSTALL_ALL_DEPENDENCY=ON "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_INSTALL_LIBDIR=lib/x86_64-linux-gnu -DBUILD_SHARED_LIBS=ON -DENABLE_TESTING=ON -DCIFPP_DOWNLOAD_CCD=OFF -DBUILD_DOCUMENTATION=ON .. -- The CXX compiler identification is GNU 14.2.0 -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ - skipped -- Detecting CXX compile features -- Detecting CXX compile features - done -- Looking for C++ include atomic -- Looking for C++ include atomic - found -- Performing Test _CXX_ATOMIC_BUILTIN -- Performing Test _CXX_ATOMIC_BUILTIN - Success -- Performing Test GXX_LIBSTDCPP -- Performing Test GXX_LIBSTDCPP - Success -- Testing for known regex bug, since you're using GNU libstdc++ -- You are probably trying to compile using the g++ standard library which contains a crashing std::regex implementation. Will use boost::regex instead CMake Warning (dev) at CMakeLists.txt:173 (find_package): Policy CMP0167 is not set: The FindBoost module is removed. Run "cmake --help-policy CMP0167" for policy details. Use the cmake_policy command to set the policy and suppress this warning. This warning is for project developers. Use -Wno-dev to suppress it. -- Performing Test CMAKE_HAVE_LIBC_PTHREAD -- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success -- Found Threads: TRUE -- Git hash not found -- Performing Test COMPILER_HAS_HIDDEN_VISIBILITY -- Performing Test COMPILER_HAS_HIDDEN_VISIBILITY - Success -- Performing Test COMPILER_HAS_HIDDEN_INLINE_VISIBILITY -- Performing Test COMPILER_HAS_HIDDEN_INLINE_VISIBILITY - Success -- Performing Test COMPILER_HAS_DEPRECATED_ATTR -- Performing Test COMPILER_HAS_DEPRECATED_ATTR - Success -- Found Doxygen: /usr/bin/doxygen (found version "1.9.8") found components: doxygen dot -- Found Sphinx: /usr/bin/sphinx-build -- Configuring done (9.7s) -- Generating done (0.1s) CMake Warning: Manually-specified variables were not used by the project: CMAKE_EXPORT_NO_PACKAGE_REGISTRY CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY ENABLE_TESTING -- Build files have been written to: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu make[1]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7' rm -f debian/libcifpp-data.debhelper.log debian/libcifpp-dev.debhelper.log debian/libcifpp-doc.debhelper.log debian/libcifpp7.debhelper.log debian/rules override_dh_auto_build make[1]: Entering directory '/build/reproducible-path/libcifpp-7.0.7' export http_proxy=127.0.0.1:9 export https_proxy=127.0.0.1:9 dh_auto_build cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libcifpp-7.0.7 -B/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu//CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[3]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' make -f CMakeFiles/cifpp.dir/build.make CMakeFiles/cifpp.dir/depend make -f docs/CMakeFiles/Doxygen-libcifpp.dir/build.make docs/CMakeFiles/Doxygen-libcifpp.dir/depend make -f docs/CMakeFiles/Sphinx-libcifpp.dir/build.make docs/CMakeFiles/Sphinx-libcifpp.dir/depend make[4]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libcifpp-7.0.7 /build/reproducible-path/libcifpp-7.0.7/docs /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/docs /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/docs/CMakeFiles/Doxygen-libcifpp.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libcifpp-7.0.7 /build/reproducible-path/libcifpp-7.0.7 /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/CMakeFiles/cifpp.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/libcifpp-7.0.7 /build/reproducible-path/libcifpp-7.0.7/docs /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/docs /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/docs/CMakeFiles/Sphinx-libcifpp.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' make -f docs/CMakeFiles/Doxygen-libcifpp.dir/build.make docs/CMakeFiles/Doxygen-libcifpp.dir/build make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' make -f CMakeFiles/cifpp.dir/build.make CMakeFiles/cifpp.dir/build make -f docs/CMakeFiles/Sphinx-libcifpp.dir/build.make docs/CMakeFiles/Sphinx-libcifpp.dir/build make[4]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 2%] Generating xml [ 6%] Building CXX object CMakeFiles/cifpp.dir/src/file.cpp.o [ 6%] Building CXX object CMakeFiles/cifpp.dir/src/dictionary_parser.cpp.o [ 9%] Building CXX object CMakeFiles/cifpp.dir/src/row.cpp.o [ 11%] Building CXX object CMakeFiles/cifpp.dir/src/item.cpp.o [ 13%] Building CXX object CMakeFiles/cifpp.dir/src/parser.cpp.o [ 15%] Building CXX object CMakeFiles/cifpp.dir/src/validate.cpp.o cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/docs && /usr/bin/cmake -E make_directory /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/docs/xml [ 18%] Generating xml [ 22%] Building CXX object CMakeFiles/cifpp.dir/src/datablock.cpp.o [ 25%] Building CXX object CMakeFiles/cifpp.dir/src/utilities.cpp.o [ 22%] Building CXX object CMakeFiles/cifpp.dir/src/category.cpp.o /usr/bin/c++ -DBOOST_REGEX_STANDALONE=1 -DCACHE_DIR=\"/var/cache/libcifpp\" -DDATA_DIR=\"/usr/share/libcifpp\" -DUSE_BOOST_REGEX=1 -Dcifpp_EXPORTS -I/build/reproducible-path/libcifpp-7.0.7/include -I/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=gnu++20 -fPIC -MD -MT CMakeFiles/cifpp.dir/src/dictionary_parser.cpp.o -MF CMakeFiles/cifpp.dir/src/dictionary_parser.cpp.o.d -o CMakeFiles/cifpp.dir/src/dictionary_parser.cpp.o -c /build/reproducible-path/libcifpp-7.0.7/src/dictionary_parser.cpp [ 27%] Building CXX object CMakeFiles/cifpp.dir/src/text.cpp.o /usr/bin/c++ -DBOOST_REGEX_STANDALONE=1 -DCACHE_DIR=\"/var/cache/libcifpp\" -DDATA_DIR=\"/usr/share/libcifpp\" -DUSE_BOOST_REGEX=1 -Dcifpp_EXPORTS -I/build/reproducible-path/libcifpp-7.0.7/include -I/usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=gnu++20 -fPIC -MD -MT CMakeFiles/cifpp.dir/src/file.cpp.o -MF CMakeFiles/cifpp.dir/src/file.cpp.o.d -o 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Searching for example files... Searching for images... Searching for dot files... Searching for msc files... Searching for dia files... Searching for files to exclude Searching INPUT for files to process... Searching for files in directory /build/reproducible-path/libcifpp-7.0.7/include Searching for files in directory /build/reproducible-path/libcifpp-7.0.7/include/cif++ Searching for files in directory /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb Reading and parsing tag files Parsing files Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/atom_type.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/atom_type.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/condition.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/condition.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/datablock.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/datablock.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/dictionary_parser.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/dictionary_parser.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/exports.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/exports.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/file.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/file.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/format.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/format.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/forward_decl.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/forward_decl.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/gzio.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/gzio.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/item.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/item.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/iterator.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/iterator.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/matrix.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/matrix.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/model.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/model.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/parser.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/parser.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/cif2pdb.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/cif2pdb.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/io.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/io.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/pdb2cif.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/pdb2cif.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0./build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:173: warning: Compound cif::validation_exception is not documented. Doxygen version used: 1.9.8 Searching for include files... Searching for example files... Searching for images... Searching for dot files... Searching for msc files... Searching for dia files... Searching for files to exclude Searching INPUT for files to process... Searching for files in directory /build/reproducible-path/libcifpp-7.0.7/include Searching for files in directory /build/reproducible-path/libcifpp-7.0.7/include/cif++ Searching for files in directory /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb Reading and parsing tag files Parsing files Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/atom_type.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/atom_type.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/condition.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/condition.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/datablock.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/datablock.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/dictionary_parser.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/dictionary_parser.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/exports.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/exports.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/file.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/file.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/format.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/format.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/forward_decl.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/forward_decl.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/gzio.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/gzio.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/item.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/item.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/iterator.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/iterator.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/matrix.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/matrix.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/model.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/model.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/parser.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/parser.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/cif2pdb.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/cif2pdb.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/io.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/io.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/pdb2cif.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/pdb2cif.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0./build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:173: warning: Compound cif::validation_exception is not documented. 7/include/cif++/pdb/tls.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/tls.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/point.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/point.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/row.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/row.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/symmetry.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/symmetry.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/text.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/text.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/utilities.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/utilities.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp... Building macro definition list... Building group list... Building directory list... Building namespace list... Building file list... Building class list... Building concept list... Computing nesting relations for classes... Associating documentation with classes... Associating documentation with concepts... Associating documentation with modules... Building example list... Searching for enumerations... Searching for documented typedefs... Searching for members imported via using declarations... Searching for included using directives... Searching for documented variables... Building interface member list... Building member list... Searching for friends... Searching for documented defines... Computing class inheritance relations... Computing class usage relations... Flushing cached template relations that have become invalid... Computing class relations... Add enum values to enums... Searching for member function documentation... Creating members for template instances... Building page list... Search for main page... Computing page relations... Determining the scope of groups... Computing module relations... Sorting lists... Determining which enums are documented Computing member relations... Building full member lists recursively... Adding members to member groups. Computing member references... Inheriting documentation... Generating disk names... Adding source references... Adding xrefitems... Sorting member lists... Setting anonymous enum type... Computing dependencies between directories... Generating citations page... Counting members... Counting data structures... Resolving user defined references... Finding anchors and sections in the documentation... Transferring function references... Combining using relations... Adding members to index pages... Correcting members for VHDL... Computing tooltip texts... Generating style sheet... Generating search indices... Generating example documentation... Generating file sources... Generating code for file cif++.hpp... Generating code for file cif++/atom_type.hpp... Generating code for file cif++/category.hpp... Generating code for file cif++/compound.hpp... Generating code for file cif++/condition.hpp... Generating code for file cif++/datablock.hpp... Generating code for file cif++/dictionary_parser.hpp... Generating code for file cif++/exports.hpp... Generating code for file cif++/file.hpp... Generating code for file cif++/format.hpp... Generating code for file cif++/forward_decl.hpp... Generating code for file cif++/gzio.hpp... Generating code for file cif++/item.hpp... Generating code for file cif++/iterator.hpp... Generating code for file cif++/matrix.hpp... Generating code for file cif++/model.hpp... Generating code for file cif++/parser.hpp... Generating code for file cif++/pdb.hpp... Generating code for file cif++/pdb/cif2pdb.hpp... Generating code for file cif++/pdb/io.hpp... Generating code for file cif++/pdb/pdb2cif.hpp... Generating code for file cif++/pdb/tls.hpp... Generating code for file c/build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:161: warning: Member make_error_code(validation_error e) (function) of namespace cif is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:166: warning: Member make_error_condition(validation_error e) (function) of namespace cif is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:161: warning: Member make_error_code(validation_error e) (function) of namespace cif is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:166: warning: Member make_error_condition(validation_error e) (function) of namespace cif is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp:975: warning: Member value_provider_type (typedef) of class cif::category is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp:153: warning: Member operator=(category rhs) (function) of class cif::category is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp:164: warning: Member swap(category &a, category &b) noexcept (friend) of class cif::category is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp:175: warning: Member one_letter_code() const (function) of class cif::compound is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp:274: warning: Member is_water(std::string_view res_name) const (function) of class cif::compound_factory is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp:292: warning: Member report_missing_compound(std::string_view compound_id) (function) of class cif::compound_factory is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp:327: warning: Member compound_source(const cif::file &file) (function) of class cif::compound_source is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/datablock.hpp:77: warning: Member swap_(datablock &a, datablock &b) noexcept (friend) of class cif::datablock is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:280: warning: Member item_alias(const std::string &alias_name, const std::string &dictionary, const std::string &version) (function) of struct cif::item_alias is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:287: warning: Member item_alias(const item_alias &)=default (function) of struct cif::item_alias is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:288: warning: Member operator=(const item_alias &)=default (function) of struct cif::item_alias is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp:87: warning: Member get_key() const noexcept (function) of class cif::missing_key_error is not documented. if++/point.hpp... Generating code for file cif++/row.hpp... Generating code for file cif++/symmetry.hpp... Generating code for file cif++/text.hpp... Generating code for file cif++/utilities.hpp... Generating code for file cif++/validate.hpp... Generating file documentation... Generating docs for file cif++/atom_type.hpp... Generating docs for file cif++/category.hpp... Generating docs for file cif++/compound.hpp... Generating docs for file cif++/condition.hpp... Generating docs for file cif++/datablock.hpp... Generating docs for file cif++/file.hpp... Generating docs for file cif++/format.hpp... Generating docs for file cif++/forward_decl.hpp... Generating docs for file cif++/gzio.hpp... Generating docs for file cif++/item.hpp... Generating docs for file cif++/iterator.hpp... Generating docs for file cif++/matrix.hpp... Generating docs for file cif++/model.hpp... Generating docs for file cif++/parser.hpp... Generating docs for file cif++/pdb.hpp... Generating docs for file cif++/pdb/cif2pdb.hpp... Generating docs for file cif++/pdb/io.hpp... Generating docs for file cif++/pdb/pdb2cif.hpp... Generating docs for file cif++/pdb/tls.hpp... Generating docs for file cif++/point.hpp... Generating docs for file cif++/row.hpp... Generating docs for file cif++/symmetry.hpp... Generating docs for file cif++/text.hpp... Generating docs for file cif++/utilities.hpp... Generating docs for file cif++/validate.hpp... Generating page documentation... Generating docs for page deprecated... Generating group documentation... Generating class documentation... Generating concept documentation... Generating module documentation... Generating namespace documentation... Generating docs for namespace cif Generating docs for compound cif::atom_type_info... Generating docs for compound cif::atom_type_traits... Generating docs for nested compound cif::atom_type_traits::SFData... Generating docs for compound cif::category... Generating docs for compound cif::category_validator... Generating docs for compound cif::cell... Generating docs for compound cif::compound... Generating docs for compound cif::compound_atom... Generating docs for compound cif::compound_bond... Generating docs for compound cif::compound_factory... Generating docs for compound cif::compound_source... Generating docs for compound cif::condition... Generating docs for compound cif::conditional_iterator_proxy... Generating docs for compound cif::crystal... Generating docs for compound cif::datablock... Generating docs for compound cif::duplicate_key_error... Generating docs for compound cif::empty_type... Generating docs for compound cif::file... Generating docs for compound cif::fill_out_streambuf... Generating docs for compound cif::identity_matrix... Generating docs for compound cif::iless... Generating docs for compound cif::item... Generating docs for compound cif::item_alias... Generating docs for compound cif::item_handle... Generating docs for compound cif::item_validator... Generating docs for compound cif::item_value... Generating docs for compound cif::iterator_impl... Generating docs for compound cif::iterator_impl< Category >... Generating docs for compound cif::iterator_impl< Category, T >... Generating docs for compound cif::iterator_proxy... Generating docs for compound cif::key... Generating docs for compound cif::link_validator... Generating docs for compound cif::matrix... Generating docs for compound cif::matrix_cofactors... Generating docs for compound cif::matrix_expression... Generating docs for compound cif::matrix_fixed... Generating docs for compound cif::matrix_matrix_multiplication... Generating docs for compound cif::matrix_scalar_multiplication... Generating docs for compound cif::matrix_subtraction... Generating docs for compound cif::missing_key_error... Generating docs for compound cif::multiple_results_error... Generating docs for compound cif::my_charconv... Generating docs for compound cif::parse_error... Generating docs for compound cif::parser... Generating docs for compound cif::point_type... Generating docs for compound cif::progress_bar... G/build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:176: warning: Member validation_exception(validation_error err) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:181: warning: Member validation_exception(validation_error err, std::string_view category) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:186: warning: Member validation_exception(validation_error err, std::string_view category, std::string_view item) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:191: warning: Member validation_exception(std::error_code ec) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:193: warning: Member validation_exception(std::error_code ec, std::string_view category) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:195: warning: Member validation_exception(std::error_code ec, std::string_view category, std::string_view item) (function) of class cif::validation_exception is not documented. enerating docs for compound cif::quaternion_type... Generating docs for compound cif::row... Generating docs for compound cif::row_handle... Generating docs for compound cif::row_initializer... Generating docs for compound cif::sac_parser... Generating docs for compound cif::space_group... Generating docs for compound cif::spacegroup... Generating docs for compound cif::spherical_dots... Generating docs for compound cif::sym_op... Generating docs for compound cif::symmetric_matrix... Generating docs for compound cif::symmetric_matrix_fixed... Generating docs for compound cif::symop_data... Generating docs for compound cif::symop_datablock... Generating docs for compound cif::transformation... Generating docs for compound cif::type_validator... Generating docs for compound cif::validation_category_impl... Generating docs for compound cif::validation_exception... Generating docs for compound cif::validator... Generating docs for compound cif::validator_factory... Generating docs for concept cif::Numeric... Generating docs for compound cif::colour::detail::coloured_string_t... Generating docs for compound cif::gzio::basic_ifstream... Generating docs for compound cif::gzio::basic_igzip_streambuf... Generating docs for compound cif::gzio::basic_istream... Generating docs for compound cif::gzio::basic_ofstream... Generating docs for compound cif::gzio::basic_ogzip_streambuf... Generating docs for compound cif::gzio::basic_ostream... Generating docs for compound cif::gzio::basic_streambuf... Generating docs for compound cif::mm::atom... Generating docs for compound cif::mm::branch... Generating docs for compound cif::mm::monomer... Generating docs for compound cif::mm::polymer... Generating docs for compound cif::mm::residue... Generating docs for compound cif::mm::structure... Generating docs for compound cif::mm::sugar... Generating graph info page... Generating directory documentation... Generating dependency graph for directory cif++/pdb finalizing index lists... writing tag file... Generating XML output... Generating XML output for class cif::mm::atom Generating XML output for class cif::atom_type_info Generating XML output for class cif::atom_type_traits Generating XML output for class cif::gzio::basic_ifstream Generating XML output for class cif::gzio::basic_igzip_streambuf Generating XML output for class cif::gzio::basic_istream Generating XML output for class cif::gzio::basic_ofstream Generating XML output for class cif::gzio::basic_ogzip_streambuf Generating XML output for class cif::gzio::basic_ostream Generating XML output for class cif::gzio::basic_streambuf Generating XML output for class cif::mm::branch Generating XML output for class cif::category Generating XML output for class cif::category_validator Generating XML output for class cif::cell Generating XML output for class cif::colour::detail::coloured_string_t Generating XML output for class cif::compound Generating XML output for class cif::compound_atom Generating XML output for class cif::compound_bond Generating XML output for class cif::compound_factory Generating XML output for class cif::compound_source Generating XML output for class cif::condition Generating XML output for class cif::conditional_iterator_proxy Generating XML output for class cif::crystal Generating XML output for class cif::datablock Generating XML output for class cif::duplicate_key_error Generating XML output for class cif::empty_type Generating XML output for class cif::file Generating XML output for class cif::fill_out_streambuf Generating XML output for class cif::identity_matrix Generating XML output for class cif::iless Generating XML output for class cif::item Generating XML output for class cif::item_alias Generating XML output for class cif::category::item_entry Generating XML output for class cif::item_handle Generating XML output for class cif::item_validator Generating XML output for class cif::item_value Generating XML output for class cif::iterator_impl Generating XML output for class cif::iterator_impl< Category > Generating XML output for class cif::iterator_impl< Ca7/include/cif++/pdb/tls.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/tls.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/point.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/point.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/row.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/row.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/symmetry.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/symmetry.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/text.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/text.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/utilities.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/utilities.hpp... Preprocessing /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp... Parsing file /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp... Building macro definition list... Building group list... Building directory list... Building namespace list... Building file list... Building class list... Building concept list... Computing nesting relations for classes... Associating documentation with classes... Associating documentation with concepts... Associating documentation with modules... Building example list... Searching for enumerations... Searching for documented typedefs... Searching for members imported via using declarations... Searching for included using directives... Searching for documented variables... Building interface member list... Building member list... Searching for friends... Searching for documented defines... Computing class inheritance relations... Computing class usage relations... Flushing cached template relations that have become invalid... Computing class relations... Add enum values to enums... Searching for member function documentation... Creating members for template instances... Building page list... Search for main page... Computing page relations... Determining the scope of groups... Computing module relations... Sorting lists... Determining which enums are documented Computing member relations... Building full member lists recursively... Adding members to member groups. Computing member references... Inheriting documentation... Generating disk names... Adding source references... Adding xrefitems... Sorting member lists... Setting anonymous enum type... Computing dependencies between directories... Generating citations page... Counting members... Counting data structures... Resolving user defined references... Finding anchors and sections in the documentation... Transferring function references... Combining using relations... Adding members to index pages... Correcting members for VHDL... Computing tooltip texts... Generating style sheet... Generating search indices... Generating example documentation... Generating file sources... Generating code for file cif++.hpp... Generating code for file cif++/atom_type.hpp... Generating code for file cif++/category.hpp... Generating code for file cif++/compound.hpp... Generating code for file cif++/condition.hpp... Generating code for file cif++/datablock.hpp... Generating code for file cif++/dictionary_parser.hpp... Generating code for file cif++/exports.hpp... Generating code for file cif++/file.hpp... Generating code for file cif++/format.hpp... Generating code for file cif++/forward_decl.hpp... Generating code for file cif++/gzio.hpp... Generating code for file cif++/item.hpp... Generating code for file cif++/iterator.hpp... Generating code for file cif++/matrix.hpp... Generating code for file cif++/model.hpp... Generating code for file cif++/parser.hpp... Generating code for file cif++/pdb.hpp... Generating code for file cif++/pdb/cif2pdb.hpp... Generating code for file cif++/pdb/io.hpp... Generating code for file cif++/pdb/pdb2cif.hpp... Generating code for file cif++/pdb/tls.hpp... Generating code for file c/build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:108: warning: argument 'file' of command @param is not found in the argument list of cif::pdb::reconstruct_pdbx(file &pdbx_file, std::string_view dictionary="mmcif_pdbx") /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:108: warning: The following parameter of cif::pdb::reconstruct_pdbx(file &pdbx_file, std::string_view dictionary="mmcif_pdbx") is not documented: parameter 'pdbx_file' /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:120: warning: argument 'file' of command @param is not found in the argument list of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::string_view dictionary="mmcif_pdbx") /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:120: warning: The following parameter of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::string_view dictionary="mmcif_pdbx") is not documented: parameter 'pdbx_file' /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:138: warning: argument 'file' of command @param is not found in the argument list of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::error_code &ec) /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:138: warning: The following parameter of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::error_code &ec) is not documented: parameter 'pdbx_file' /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:157: warning: argument 'file' of command @param is not found in the argument list of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::string_view dictionary, std::error_code &ec) /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:157: warning: The following parameter of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::string_view dictionary, std::error_code &ec) is not documented: parameter 'pdbx_file' /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:161: warning: Member make_error_code(validation_error e) (function) of namespace cif is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:166: warning: Member make_error_condition(validation_error e) (function) of namespace cif is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:161: warning: Member make_error_code(validation_error e) (function) of namespace cif is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:166: warning: Member make_error_condition(validation_error e) (function) of namespace cif is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp:975: warning: Member value_provider_type (typedef) of class cif::category is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp:153: warning: Member operator=(category rhs) (function) of class cif::category is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp:164: warning: Member swap(category &a, category &b) noexcept (friend) of class cif::category is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp:175: warning: Member one_letter_code() const (function) of class cif::compound is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp:274: warning: Member is_water(std::string_view res_name) const (function) of class cif::compound_factory is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp:292: warning: Member report_missing_compound(std::string_view compound_id) (function) of class cif::compound_factory is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/compound.hpp:327: warning: Member compound_source(const cif::file &file) (function) of class cif::compound_source is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/datablock.hpp:77: warning: Member swap_(datablock &a, datablock &b) noexcept (friend) of class cif::datablock is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:280: warning: Member item_alias(const std::string &alias_name, const std::string &dictionary, const std::string &version) (function) of struct cif::item_alias is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:287: warning: Member item_alias(const item_alias &)=default (function) of struct cif::item_alias is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:288: warning: Member operator=(const item_alias &)=default (function) of struct cif::item_alias is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/category.hpp:87: warning: Member get_key() const noexcept (function) of class cif::missing_key_error is not documented. if++/point.hpp... Generating code for file cif++/row.hpp... Generating code for file cif++/symmetry.hpp... Generating code for file cif++/text.hpp... Generating code for file cif++/utilities.hpp... Generating code for file cif++/validate.hpp... Generating file documentation... Generating docs for file cif++/atom_type.hpp... Generating docs for file cif++/category.hpp... Generating docs for file cif++/compound.hpp... Generating docs for file cif++/condition.hpp... Generating docs for file cif++/datablock.hpp... Generating docs for file cif++/file.hpp... Generating docs for file cif++/format.hpp... Generating docs for file cif++/forward_decl.hpp... Generating docs for file cif++/gzio.hpp... Generating docs for file cif++/item.hpp... Generating docs for file cif++/iterator.hpp... Generating docs for file cif++/matrix.hpp... Generating docs for file cif++/model.hpp... Generating docs for file cif++/parser.hpp... Generating docs for file cif++/pdb.hpp... Generating docs for file cif++/pdb/cif2pdb.hpp... Generating docs for file cif++/pdb/io.hpp... Generating docs for file cif++/pdb/pdb2cif.hpp... Generating docs for file cif++/pdb/tls.hpp... Generating docs for file cif++/point.hpp... Generating docs for file cif++/row.hpp... Generating docs for file cif++/symmetry.hpp... Generating docs for file cif++/text.hpp... Generating docs for file cif++/utilities.hpp... Generating docs for file cif++/validate.hpp... Generating page documentation... Generating docs for page deprecated... Generating group documentation... Generating class documentation... Generating concept documentation... Generating module documentation... Generating namespace documentation... Generating docs for namespace cif Generating docs for compound cif::atom_type_info... Generating docs for compound cif::atom_type_traits... Generating docs for nested compound cif::atom_type_traits::SFData... Generating docs for compound cif::category... Generating docs for compound cif::category_validator... Generating docs for compound cif::cell... Generating docs for compound cif::compound... Generating docs for compound cif::compound_atom... Generating docs for compound cif::compound_bond... Generating docs for compound cif::compound_factory... Generating docs for compound cif::compound_source... Generating docs for compound cif::condition... Generating docs for compound cif::conditional_iterator_proxy... Generating docs for compound cif::crystal... Generating docs for compound cif::datablock... Generating docs for compound cif::duplicate_key_error... Generating docs for compound cif::empty_type... Generating docs for compound cif::file... Generating docs for compound cif::fill_out_streambuf... Generating docs for compound cif::identity_matrix... Generating docs for compound cif::iless... Generating docs for compound cif::item... Generating docs for compound cif::item_alias... Generating docs for compound cif::item_handle... Generating docs for compound cif::item_validator... Generating docs for compound cif::item_value... Generating docs for compound cif::iterator_impl... Generating docs for compound cif::iterator_impl< Category >... Generating docs for compound cif::iterator_impl< Category, T >... Generating docs for compound cif::iterator_proxy... Generating docs for compound cif::key... Generating docs for compound cif::link_validator... Generating docs for compound cif::matrix... Generating docs for compound cif::matrix_cofactors... Generating docs for compound cif::matrix_expression... Generating docs for compound cif::matrix_fixed... Generating docs for compound cif::matrix_matrix_multiplication... Generating docs for compound cif::matrix_scalar_multiplication... Generating docs for compound cif::matrix_subtraction... Generating docs for compound cif::missing_key_error... Generating docs for compound cif::multiple_results_error... Generating docs for compound cif::my_charconv... Generating docs for compound cif::parse_error... Generating docs for compound cif::parser... Generating docs for compound cif::point_type... Generating docs for compound cif::progress_bar... G/build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:176: warning: Member validation_exception(validation_error err) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:181: warning: Member validation_exception(validation_error err, std::string_view category) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:186: warning: Member validation_exception(validation_error err, std::string_view category, std::string_view item) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:191: warning: Member validation_exception(std::error_code ec) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:193: warning: Member validation_exception(std::error_code ec, std::string_view category) (function) of class cif::validation_exception is not documented. /build/reproducible-path/libcifpp-7.0.7/include/cif++/validate.hpp:195: warning: Member validation_exception(std::error_code ec, std::string_view category, std::string_view item) (function) of class cif::validation_exception is not documented. tegory, T > Generating XML output for class cif::iterator_proxy Generating XML output for class cif::key Generating XML output for class cif::category::link Generating XML output for class cif::link_validator Generating XML output for class cif::matrix Generating XML output for class cif::matrix_cofactors Generating XML output for class cif::matrix_expression Generating XML output for class cif::matrix_fixed Generating XML output for class cif::matrix_matrix_multiplication Generating XML output for class cif::matrix_scalar_multiplication Generating XML output for class cif::matrix_subtraction Generating XML output for class cif::missing_key_error Generating XML output for class cif::mm::monomer Generating XML output for class cif::multiple_results_error Generating XML output for class cif::my_charconv Generating XML output for class cif::parse_error Generating XML output for class cif::parser Generating XML output for class cif::point_type Generating XML output for class cif::mm::polymer Generating XML output for class cif::progress_bar Generating XML output for class cif::quaternion_type Generating XML output for class cif::mm::residue Generating XML output for class cif::row Generating XML output for class cif::row_handle Generating XML output for class cif::row_initializer Generating XML output for class cif::sac_parser Generating XML output for class cif::atom_type_traits::SFData Generating XML output for class cif::space_group Generating XML output for class cif::spacegroup Generating XML output for class cif::spherical_dots Generating XML output for class cif::mm::structure Generating XML output for class cif::mm::sugar Generating XML output for class cif::sym_op Generating XML output for class cif::symmetric_matrix Generating XML output for class cif::symmetric_matrix_fixed Generating XML output for class cif::symop_data Generating XML output for class cif::symop_datablock Generating XML output for class cif::transformation Generating XML output for class cif::type_validator Generating XML output for class cif::validation_category_impl Generating XML output for class cif::validation_exception Generating XML output for class cif::validator Generating XML output for class cif::validator_factory Generating XML output for concept cif::Numeric Generating XML output for namespace cif Generating XML output for namespace cif::colour Generating XML output for namespace cif::colour::detail Generating XML output for namespace cif::detail Generating XML output for namespace cif::gzio Generating XML output for namespace cif::literals Generating XML output for namespace cif::mm Generating XML output for namespace cif::pdb Generating XML output for namespace std Generating XML output for namespace std_experimental Generating XML output for namespace std_experimental::detail Generating XML output for file cif++.hpp Generating XML output for file atom_type.hpp Generating XML output for file category.hpp Generating XML output for file compound.hpp Generating XML output for file condition.hpp Generating XML output for file datablock.hpp Generating XML output for file dictionary_parser.hpp Generating XML output for file exports.hpp Generating XML output for file file.hpp Generating XML output for file format.hpp Generating XML output for file forward_decl.hpp Generating XML output for file gzio.hpp Generating XML output for file item.hpp Generating XML output for file iterator.hpp Generating XML output for file matrix.hpp Generating XML output for file model.hpp Generating XML output for file parser.hpp Generating XML output for file pdb.hpp Generating XML output for file cif2pdb.hpp Generating XML output for file io.hpp Generating XML output for file pdb2cif.hpp Generating XML output for file tls.hpp Generating XML output for file point.hpp Generating XML output for file row.hpp Generating XML output for file symmetry.hpp Generating XML output for file text.hpp Generating XML output for file utilities.hpp Generating XML output for file validate.hpp Generating XML output for page deprecated Generate XML output for dir /build/reproducible-path/libcifpp-7.0.7/include/cif++/ Generate XML output for dir /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/ Running plantuml with JAVA... Running dot... type lookup cache used 4688/65536 hits=49233 misses=4934 symbol lookup cache used 5033/65536 hits=61776 misses=5033 finished... [ 59%] Generating documentation with Sphinx cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/docs && /usr/bin/sphinx-build -b html -Dbreathe_projects.libcifpp=/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/docs/xml /build/reproducible-path/libcifpp-7.0.7/docs /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/docs/sphinx enerating docs for compound cif::quaternion_type... Generating docs for compound cif::row... Generating docs for compound cif::row_handle... Generating docs for compound cif::row_initializer... Generating docs for compound cif::sac_parser... Generating docs for compound cif::space_group... Generating docs for compound cif::spacegroup... Generating docs for compound cif::spherical_dots... Generating docs for compound cif::sym_op... Generating docs for compound cif::symmetric_matrix... Generating docs for compound cif::symmetric_matrix_fixed... Generating docs for compound cif::symop_data... Generating docs for compound cif::symop_datablock... Generating docs for compound cif::transformation... Generating docs for compound cif::type_validator... Generating docs for compound cif::validation_category_impl... Generating docs for compound cif::validation_exception... Generating docs for compound cif::validator... Generating docs for compound cif::validator_factory... Generating docs for concept cif::Numeric... Generating docs for compound cif::colour::detail::coloured_string_t... Generating docs for compound cif::gzio::basic_ifstream... Generating docs for compound cif::gzio::basic_igzip_streambuf... Generating docs for compound cif::gzio::basic_istream... Generating docs for compound cif::gzio::basic_ofstream... Generating docs for compound cif::gzio::basic_ogzip_streambuf... Generating docs for compound cif::gzio::basic_ostream... Generating docs for compound cif::gzio::basic_streambuf... Generating docs for compound cif::mm::atom... Generating docs for compound cif::mm::branch... Generating docs for compound cif::mm::monomer... Generating docs for compound cif::mm::polymer... Generating docs for compound cif::mm::residue... Generating docs for compound cif::mm::structure... Generating docs for compound cif::mm::sugar... Generating graph info page... Generating directory documentation... Generating dependency graph for directory cif++/pdb finalizing index lists... writing tag file... Generating XML output... Generating XML output for class cif::mm::atom Generating XML output for class cif::atom_type_info Generating XML output for class cif::atom_type_traits Generating XML output for class cif::gzio::basic_ifstream Generating XML output for class cif::gzio::basic_igzip_streambuf Generating XML output for class cif::gzio::basic_istream Generating XML output for class cif::gzio::basic_ofstream Generating XML output for class cif::gzio::basic_ogzip_streambuf Generating XML output for class cif::gzio::basic_ostream Generating XML output for class cif::gzio::basic_streambuf Generating XML output for class cif::mm::branch Generating XML output for class cif::category Generating XML output for class cif::category_validator Generating XML output for class cif::cell Generating XML output for class cif::colour::detail::coloured_string_t Generating XML output for class cif::compound Generating XML output for class cif::compound_atom Generating XML output for class cif::compound_bond Generating XML output for class cif::compound_factory Generating XML output for class cif::compound_source Generating XML output for class cif::condition Generating XML output for class cif::conditional_iterator_proxy Generating XML output for class cif::crystal Generating XML output for class cif::datablock Generating XML output for class cif::duplicate_key_error Generating XML output for class cif::empty_type Generating XML output for class cif::file Generating XML output for class cif::fill_out_streambuf Generating XML output for class cif::identity_matrix Generating XML output for class cif::iless Generating XML output for class cif::item Generating XML output for class cif::item_alias Generating XML output for class cif::category::item_entry Generating XML output for class cif::item_handle Generating XML output for class cif::item_validator Generating XML output for class cif::item_value Generating XML output for class cif::iterator_impl Generating XML output for class cif::iterator_impl< Category > Generating XML output for class cif::iterator_impl< Ca/build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:108: warning: argument 'file' of command @param is not found in the argument list of cif::pdb::reconstruct_pdbx(file &pdbx_file, std::string_view dictionary="mmcif_pdbx") /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:108: warning: The following parameter of cif::pdb::reconstruct_pdbx(file &pdbx_file, std::string_view dictionary="mmcif_pdbx") is not documented: parameter 'pdbx_file' /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:120: warning: argument 'file' of command @param is not found in the argument list of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::string_view dictionary="mmcif_pdbx") /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:120: warning: The following parameter of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::string_view dictionary="mmcif_pdbx") is not documented: parameter 'pdbx_file' /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:138: warning: argument 'file' of command @param is not found in the argument list of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::error_code &ec) /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:138: warning: The following parameter of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::error_code &ec) is not documented: parameter 'pdbx_file' /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:157: warning: argument 'file' of command @param is not found in the argument list of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::string_view dictionary, std::error_code &ec) /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb.hpp:157: warning: The following parameter of cif::pdb::is_valid_pdbx_file(const file &pdbx_file, std::string_view dictionary, std::error_code &ec) is not documented: parameter 'pdbx_file' tegory, T > Generating XML output for class cif::iterator_proxy Generating XML output for class cif::key Generating XML output for class cif::category::link Generating XML output for class cif::link_validator Generating XML output for class cif::matrix Generating XML output for class cif::matrix_cofactors Generating XML output for class cif::matrix_expression Generating XML output for class cif::matrix_fixed Generating XML output for class cif::matrix_matrix_multiplication Generating XML output for class cif::matrix_scalar_multiplication Generating XML output for class cif::matrix_subtraction Generating XML output for class cif::missing_key_error Generating XML output for class cif::mm::monomer Generating XML output for class cif::multiple_results_error Generating XML output for class cif::my_charconv Generating XML output for class cif::parse_error Generating XML output for class cif::parser Generating XML output for class cif::point_type Generating XML output for class cif::mm::polymer Generating XML output for class cif::progress_bar Generating XML output for class cif::quaternion_type Generating XML output for class cif::mm::residue Generating XML output for class cif::row Generating XML output for class cif::row_handle Generating XML output for class cif::row_initializer Generating XML output for class cif::sac_parser Generating XML output for class cif::atom_type_traits::SFData Generating XML output for class cif::space_group Generating XML output for class cif::spacegroup Generating XML output for class cif::spherical_dots Generating XML output for class cif::mm::structure Generating XML output for class cif::mm::sugar Generating XML output for class cif::sym_op Generating XML output for class cif::symmetric_matrix Generating XML output for class cif::symmetric_matrix_fixed Generating XML output for class cif::symop_data Generating XML output for class cif::symop_datablock Generating XML output for class cif::transformation Generating XML output for class cif::type_validator Generating XML output for class cif::validation_category_impl Generating XML output for class cif::validation_exception Generating XML output for class cif::validator Generating XML output for class cif::validator_factory Generating XML output for concept cif::Numeric Generating XML output for namespace cif Generating XML output for namespace cif::colour Generating XML output for namespace cif::colour::detail Generating XML output for namespace cif::detail Generating XML output for namespace cif::gzio Generating XML output for namespace cif::literals Generating XML output for namespace cif::mm Generating XML output for namespace cif::pdb Generating XML output for namespace std Generating XML output for namespace std_experimental Generating XML output for namespace std_experimental::detail Generating XML output for file cif++.hpp Generating XML output for file atom_type.hpp Generating XML output for file category.hpp Generating XML output for file compound.hpp Generating XML output for file condition.hpp Generating XML output for file datablock.hpp Generating XML output for file dictionary_parser.hpp Generating XML output for file exports.hpp Generating XML output for file file.hpp Generating XML output for file format.hpp Generating XML output for file forward_decl.hpp Generating XML output for file gzio.hpp Generating XML output for file item.hpp Generating XML output for file iterator.hpp Generating XML output for file matrix.hpp Generating XML output for file model.hpp Generating XML output for file parser.hpp Generating XML output for file pdb.hpp Generating XML output for file cif2pdb.hpp Generating XML output for file io.hpp Generating XML output for file pdb2cif.hpp Generating XML output for file tls.hpp Generating XML output for file point.hpp Generating XML output for file row.hpp Generating XML output for file symmetry.hpp Generating XML output for file text.hpp Generating XML output for file utilities.hpp Generating XML output for file validate.hpp Generating XML output for page deprecated Generate XML output for dir /build/reproducible-path/libcifpp-7.0.7/include/cif++/ Generate XML output for dir /build/reproducible-path/libcifpp-7.0.7/include/cif++/pdb/ Running plantuml with JAVA... Running dot... type lookup cache used 4688/65536 hits=49233 misses=4934 symbol lookup cache used 5033/65536 hits=61776 misses=5033 finished... Running Sphinx v7.4.7 loading translations [en]... done make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 59%] Built target Doxygen-libcifpp /usr/lib/python3/dist-packages/breathe/project.py:116: RemovedInSphinx80Warning: Sphinx 8 will drop support for representing paths as strings. Use "pathlib.Path" or "os.fspath" instead. self._default_build_dir = os.path.dirname(app.doctreedir.rstrip(os.sep)) making output directory... done (!) Unabridged API: unexpected kind 'concept' (IGNORED) [~] Exhale: parsing Doxygen XML. [+] Exhale: finished parsing Doxygen XML in 3.49 seconds. [~] Exhale: generating reStructuredText documents. [+] Exhale: generated reStructuredText documents in 2.58 seconds. myst v4.0.0: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions={'colon_fence'}, disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive=set(), number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True) building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 8 source files that are out of date updating environment: [new config] 332 added, 0 changed, 0 removed reading sources... [ 0%] api/classcif_1_1atom__type__traits In file included from /usr/include/c++/14/string:42, from /usr/include/c++/14/stdexcept:39, from /usr/include/c++/14/system_error:43, from /usr/include/c++/14/bits/fs_fwd.h:35, from /usr/include/c++/14/filesystem:51, from /build/reproducible-path/libcifpp-7.0.7/include/cif++/utilities.hpp:31, from /build/reproducible-path/libcifpp-7.0.7/include/cif++.hpp:29, from /build/reproducible-path/libcifpp-7.0.7/src/pdb/reconstruct.cpp:27: In static member function ‘static constexpr void std::char_traits::assign(char_type&, const char_type&)’, inlined from ‘constexpr void std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::push_back(_CharT) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/14/bits/basic_string.h:1577:21, inlined from ‘constexpr std::__cxx11::basic_string<_CharT, _Traits, _Alloc>& std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::operator+=(_CharT) [with _CharT = char; _Traits = std::char_traits; _Alloc = std::allocator]’ at /usr/include/c++/14/bits/basic_string.h:1399:17, inlined from ‘void cif::pdb::createEntityPoly(cif::datablock&)’ at /build/reproducible-path/libcifpp-7.0.7/src/pdb/reconstruct.cpp:845:29: /usr/include/c++/14/bits/char_traits.h:350:14: warning: ‘letter_can’ may be used uninitialized [-Wmaybe-uninitialized] 350 | __c1 = __c2; | ~~~~~^~~~~~ /build/reproducible-path/libcifpp-7.0.7/src/pdb/reconstruct.cpp: In function ‘void cif::pdb::createEntityPoly(cif::datablock&)’: /build/reproducible-path/libcifpp-7.0.7/src/pdb/reconstruct.cpp:780:30: note: ‘letter_can’ was declared here 780 | char letter_can; | ^~~~~~~~~~ reading sources... 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[ 33%] api/file_cif++_validate.hpp In file included from /usr/include/eigen3/Eigen/Core:341, from /usr/include/eigen3/Eigen/Eigenvalues:11, from /build/reproducible-path/libcifpp-7.0.7/src/symmetry.cpp:35: /usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘static void Eigen::internal::trmv_selector::run(const Lhs&, const Rhs&, Dest&, const typename Dest::Scalar&) [with Lhs = Eigen::Transpose, -1, -1, false>, -1, -1, false> >; Rhs = Eigen::Transpose, const Eigen::CwiseNullaryOp, const Eigen::Matrix >, const Eigen::Transpose, -1, -1, false>, -1, 1, true>, -1, 1, false> > > >; Dest = Eigen::Transpose, 1, -1, true>, 1, -1, false> >; int Mode = 6]’: /usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result’ may be used uninitialized [-Wmaybe-uninitialized] 327 | internal::triangular_matrix_vector_product | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 328 | | ~~~~~~~~~ 332 | ::run(actualLhs.rows(),actualLhs.cols(), | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 333 | actualLhs.data(),actualLhs.outerStride(), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 334 | actualRhsPtr,1, | ~~~~~~~~~~~~~~~ 335 | dest.data(),dest.innerStride(), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 336 | actualAlpha); | ~~~~~~~~~~~~ /usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const float*’ to ‘static void Eigen::internal::triangular_matrix_vector_product::run(Index, Index, const LhsScalar*, Index, const RhsScalar*, Index, ResScalar*, Index, const ResScalar&) [with Index = long int; int Mode = 6; LhsScalar = float; bool ConjLhs = false; RhsScalar = float; bool ConjRhs = false; int Version = 0]’ declared here 105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ reading sources... 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[ 99%] genindex reading sources... [ 99%] index reading sources... [ 99%] model reading sources... [100%] resources reading sources... [100%] symmetry /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1category.rst:4: CRITICAL: Duplicate ID: "classcif_1_1category_1a6b9a2619807c158dc3558ccb78b5fa43". /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1category.rst:4: WARNING: Duplicate explicit target name: "classcif_1_1category_1a6b9a2619807c158dc3558ccb78b5fa43". /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1compound__factory.rst:13: WARNING: Too many template argument lists compared to parameter lists. Argument lists: 1, Parameter lists: 0, Extra empty parameters lists prepended: 1. Declaration: std::map /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1compound__factory.rst:13: WARNING: Invalid C++ declaration: Expected end of definition. [error at 56] static CIFPP_EXPORT const std::map< std::string, char > kAAMap --------------------------------------------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1compound__factory.rst:13: WARNING: Too many template argument lists compared to parameter lists. Argument lists: 1, Parameter lists: 0, Extra empty parameters lists prepended: 1. Declaration: std::map /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1compound__factory.rst:13: WARNING: Invalid C++ declaration: Expected end of definition. [error at 56] static CIFPP_EXPORT const std::map< std::string, char > kBaseMap --------------------------------------------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1item.rst:4: CRITICAL: Duplicate ID: "classcif_1_1item_1a9d2715a6ceae7dd2b5f60a60bcf2d6da". /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1item.rst:4: WARNING: Duplicate explicit target name: "classcif_1_1item_1a9d2715a6ceae7dd2b5f60a60bcf2d6da". /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1item.rst:4: CRITICAL: Duplicate ID: "classcif_1_1item_1a9d2715a6ceae7dd2b5f60a60bcf2d6da". /build/reproducible-path/libcifpp-7.0.7/docs/api/classcif_1_1item.rst:4: WARNING: Duplicate explicit target name: "classcif_1_1item_1a9d2715a6ceae7dd2b5f60a60bcf2d6da". /build/reproducible-path/libcifpp-7.0.7/docs/api/file_cif++_condition.hpp.rst:31: WARNING: Inline interpreted text or phrase reference start-string without end-string. /build/reproducible-path/libcifpp-7.0.7/docs/api/file_cif++_condition.hpp.rst:31: WARNING: Inline interpreted text or phrase reference start-string without end-string. /build/reproducible-path/libcifpp-7.0.7/docs/api/file_cif++_condition.hpp.rst:38: WARNING: Inline interpreted text or phrase reference start-string without end-string. /build/reproducible-path/libcifpp-7.0.7/docs/api/file_cif++_condition.hpp.rst:63: WARNING: Inline interpreted text or phrase reference start-string without end-string. /build/reproducible-path/libcifpp-7.0.7/docs/api/file_cif++_row.hpp.rst:31: WARNING: Inline interpreted text or phrase reference start-string without end-string. /build/reproducible-path/libcifpp-7.0.7/docs/api/file_cif++_row.hpp.rst:31: WARNING: Inline interpreted text or phrase reference start-string without end-string. /build/reproducible-path/libcifpp-7.0.7/docs/api/file_cif++_row.hpp.rst:47: WARNING: Inline interpreted text or phrase reference start-string without end-string. /build/reproducible-path/libcifpp-7.0.7/docs/api/structcif_1_1atom__type__traits_1_1SFData.rst:19: WARNING: Duplicate C++ declaration, also defined at api/classcif_1_1atom__type__traits:23. Declaration is '.. cpp:struct:: cif::atom_type_traits::SFData'. /build/reproducible-path/libcifpp-7.0.7/docs/api/structcif_1_1item__handle.rst:13: WARNING: Invalid C++ declaration: Expected end of definition. [error at 38] static CIFPP_EXPORT const item_handle s_null_item --------------------------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/structcif_1_1item__value.rst:13: WARNING: Error in declarator or parameters-and-qualifiers If pointer to member declarator: Invalid C++ declaration: Expected identifier in nested name. [error at 21] union cif::item_value ---------------------^ If declarator-id: Invalid C++ declaration: Expected identifier in nested name. [error at 21] union cif::item_value ---------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/variable_namespacecif_1a1c4c3a9495336c603c5f3d7f77f4dc64.rst:13: WARNING: Invalid C++ declaration: Expected end of definition. [error at 31] CIFPP_EXPORT const space_group cif::kSpaceGroups [] -------------------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/variable_namespacecif_1a1c875e7bda01246ff90860b7228b89b9.rst:13: WARNING: Invalid C++ declaration: Expected end of definition. [error at 27] CIFPP_EXPORT const uint8_t cif::kCharToLowerMap [256] ---------------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/variable_namespacecif_1a2ac4506e2b83a34ec6cc15a024f9b677.rst:13: WARNING: Invalid C++ declaration: Expected end of definition. [error at 34] CIFPP_EXPORT const atom_type_info cif::kKnownAtoms [] ----------------------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/variable_namespacecif_1a335e9db77e4d400afe98317a0da325f9.rst:13: WARNING: Invalid C++ declaration: Expected end of definition. [error at 31] CIFPP_EXPORT const std::size_t cif::kNrOfSpaceGroups -------------------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/variable_namespacecif_1a4d1e6f19e4404091efa6d14e14654e63.rst:13: WARNING: Error in declarator or parameters-and-qualifiers If pointer to member declarator: Invalid C++ declaration: Expected identifier in nested name, got keyword: int [error at 16] CIFPP_EXPORT int cif::VERBOSE ----------------^ If declarator-id: Invalid C++ declaration: Expected identifier in nested name, got keyword: int [error at 16] CIFPP_EXPORT int cif::VERBOSE ----------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/variable_namespacecif_1a9ebb6f223c638daee2bc1bf285be72c8.rst:13: WARNING: Invalid C++ declaration: Expected end of definition. [error at 31] CIFPP_EXPORT const std::size_t cif::kSymopNrTableSize -------------------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/api/variable_namespacecif_1aee0d4f8adeaf464b4201156efbb97f73.rst:13: WARNING: Invalid C++ declaration: Expected end of definition. [error at 35] CIFPP_EXPORT const symop_datablock cif::kSymopNrTable [] -----------------------------------^ /build/reproducible-path/libcifpp-7.0.7/docs/basics.rst:343: WARNING: Explicit markup ends without a blank line; unexpected unindent. /build/reproducible-path/libcifpp-7.0.7/docs/symmetry.rst:37: WARNING: Explicit markup ends without a blank line; unexpected unindent. looking for now-outdated files... none found pickling environment... done checking consistency... done preparing documents... done copying assets... copying static files... done copying extra files... done copying assets: done writing output... [ 0%] api/classcif_1_1atom__type__traits writing output... 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Retrying in relaxed mode. /build/reproducible-path/libcifpp-7.0.7/docs/basics.rst:262: WARNING: undefined label: '_atom_site-label' /build/reproducible-path/libcifpp-7.0.7/docs/basics.rst:272: WARNING: undefined label: 'validation' /build/reproducible-path/libcifpp-7.0.7/docs/basics.rst:276: WARNING: Pygments lexer name 'cif' is not known /build/reproducible-path/libcifpp-7.0.7/docs/basics.rst:298: WARNING: Pygments lexer name 'cif' is not known /build/reproducible-path/libcifpp-7.0.7/docs/basics.rst:345: WARNING: Pygments lexer name 'cif' is not known /build/reproducible-path/libcifpp-7.0.7/docs/basics.rst:374: WARNING: Pygments lexer name 'cif' is not known /build/reproducible-path/libcifpp-7.0.7/docs/basics.rst:390: WARNING: Pygments lexer name 'cif' is not known /build/reproducible-path/libcifpp-7.0.7/docs/bitsandpieces.rst:11: WARNING: cpp:class targets a type (cif::gzio::ifstream). /build/reproducible-path/libcifpp-7.0.7/docs/bitsandpieces.rst:11: WARNING: cpp:class targets a type (cif::gzio::ofstream). /build/reproducible-path/libcifpp-7.0.7/docs/bitsandpieces.rst:29: WARNING: cpp:class targets a type (cif::gzio::istream). generating indices... genindex done writing additional pages... search done dumping search index in English (code: en)... done dumping object inventory... done build succeeded, 40 warnings. 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test/CMakeFiles/validate-pdbx-test.dir/validate-pdbx-test.cpp.o cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/c++ -DCACHE_DIR=\"/var/cache/libcifpp\" -DCATCH22=0 -DDATA_DIR=\"/usr/share/libcifpp\" -I/usr/include/eigen3 -I/build/reproducible-path/libcifpp-7.0.7/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=gnu++20 -MD -MT test/CMakeFiles/spinner-test.dir/spinner-test.cpp.o -MF CMakeFiles/spinner-test.dir/spinner-test.cpp.o.d -o CMakeFiles/spinner-test.dir/spinner-test.cpp.o -c /build/reproducible-path/libcifpp-7.0.7/test/spinner-test.cpp cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/c++ -DCACHE_DIR=\"/var/cache/libcifpp\" -DCATCH22=0 -DDATA_DIR=\"/usr/share/libcifpp\" -I/usr/include/eigen3 -I/build/reproducible-path/libcifpp-7.0.7/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=gnu++20 -MD -MT test/CMakeFiles/model-test.dir/model-test.cpp.o -MF CMakeFiles/model-test.dir/model-test.cpp.o.d -o CMakeFiles/model-test.dir/model-test.cpp.o -c /build/reproducible-path/libcifpp-7.0.7/test/model-test.cpp cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/c++ -DCACHE_DIR=\"/var/cache/libcifpp\" -DCATCH22=0 -DDATA_DIR=\"/usr/share/libcifpp\" -I/usr/include/eigen3 -I/build/reproducible-path/libcifpp-7.0.7/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=gnu++20 -MD -MT test/CMakeFiles/sugar-test.dir/sugar-test.cpp.o -MF CMakeFiles/sugar-test.dir/sugar-test.cpp.o.d -o CMakeFiles/sugar-test.dir/sugar-test.cpp.o -c /build/reproducible-path/libcifpp-7.0.7/test/sugar-test.cpp cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/c++ -DCACHE_DIR=\"/var/cache/libcifpp\" -DCATCH22=0 -DDATA_DIR=\"/usr/share/libcifpp\" -I/usr/include/eigen3 -I/build/reproducible-path/libcifpp-7.0.7/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=gnu++20 -MD -MT test/CMakeFiles/unit-v2-test.dir/unit-v2-test.cpp.o -MF CMakeFiles/unit-v2-test.dir/unit-v2-test.cpp.o.d -o CMakeFiles/unit-v2-test.dir/unit-v2-test.cpp.o -c /build/reproducible-path/libcifpp-7.0.7/test/unit-v2-test.cpp cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/c++ -DCACHE_DIR=\"/var/cache/libcifpp\" -DCATCH22=0 -DDATA_DIR=\"/usr/share/libcifpp\" -I/usr/include/eigen3 -I/build/reproducible-path/libcifpp-7.0.7/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=gnu++20 -MD -MT test/CMakeFiles/unit-3d-test.dir/unit-3d-test.cpp.o -MF CMakeFiles/unit-3d-test.dir/unit-3d-test.cpp.o.d -o CMakeFiles/unit-3d-test.dir/unit-3d-test.cpp.o -c /build/reproducible-path/libcifpp-7.0.7/test/unit-3d-test.cpp cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/c++ -DCACHE_DIR=\"/var/cache/libcifpp\" -DCATCH22=0 -DDATA_DIR=\"/usr/share/libcifpp\" -I/usr/include/eigen3 -I/build/reproducible-path/libcifpp-7.0.7/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=gnu++20 -MD -MT test/CMakeFiles/format-test.dir/format-test.cpp.o -MF CMakeFiles/format-test.dir/format-test.cpp.o.d -o CMakeFiles/format-test.dir/format-test.cpp.o -c /build/reproducible-path/libcifpp-7.0.7/test/format-test.cpp cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/c++ -DCACHE_DIR=\"/var/cache/libcifpp\" -DCATCH22=0 -DDATA_DIR=\"/usr/share/libcifpp\" -I/usr/include/eigen3 -I/build/reproducible-path/libcifpp-7.0.7/include -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -std=gnu++20 -MD -MT test/CMakeFiles/validate-pdbx-test.dir/validate-pdbx-test.cpp.o -MF CMakeFiles/validate-pdbx-test.dir/validate-pdbx-test.cpp.o.d -o CMakeFiles/validate-pdbx-test.dir/validate-pdbx-test.cpp.o -c /build/reproducible-path/libcifpp-7.0.7/test/validate-pdbx-test.cpp make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 81%] Built target Sphinx-libcifpp [ 84%] Linking CXX executable spinner-test cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/spinner-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/spinner-test.dir/link.d "CMakeFiles/spinner-test.dir/spinner-test.cpp.o" "CMakeFiles/test-main.dir/test-main.cpp.o" -o spinner-test -Wl,-rpath,/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu ../libcifpp.so.7.0.7 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 84%] Built target spinner-test [ 86%] Linking CXX executable format-test cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/format-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/format-test.dir/link.d "CMakeFiles/format-test.dir/format-test.cpp.o" "CMakeFiles/test-main.dir/test-main.cpp.o" -o format-test -Wl,-rpath,/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu ../libcifpp.so.7.0.7 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 86%] Built target format-test [ 88%] Linking CXX executable rename-compound-test cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/rename-compound-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/rename-compound-test.dir/link.d "CMakeFiles/rename-compound-test.dir/rename-compound-test.cpp.o" "CMakeFiles/test-main.dir/test-main.cpp.o" -o rename-compound-test -Wl,-rpath,/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu ../libcifpp.so.7.0.7 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 88%] Built target rename-compound-test [ 90%] Linking CXX executable sugar-test cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/sugar-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/sugar-test.dir/link.d "CMakeFiles/sugar-test.dir/sugar-test.cpp.o" "CMakeFiles/test-main.dir/test-main.cpp.o" -o sugar-test -Wl,-rpath,/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu ../libcifpp.so.7.0.7 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 90%] Built target sugar-test [ 93%] Linking CXX executable validate-pdbx-test cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/validate-pdbx-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/validate-pdbx-test.dir/link.d "CMakeFiles/validate-pdbx-test.dir/validate-pdbx-test.cpp.o" "CMakeFiles/test-main.dir/test-main.cpp.o" -o validate-pdbx-test -Wl,-rpath,/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu ../libcifpp.so.7.0.7 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 93%] Built target validate-pdbx-test [ 95%] Linking CXX executable model-test cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/model-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/model-test.dir/link.d "CMakeFiles/model-test.dir/model-test.cpp.o" "CMakeFiles/test-main.dir/test-main.cpp.o" -o model-test -Wl,-rpath,/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu ../libcifpp.so.7.0.7 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 95%] Built target model-test [ 97%] Linking CXX executable unit-v2-test cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit-v2-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/unit-v2-test.dir/link.d "CMakeFiles/unit-v2-test.dir/unit-v2-test.cpp.o" "CMakeFiles/test-main.dir/test-main.cpp.o" -o unit-v2-test -Wl,-rpath,/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu ../libcifpp.so.7.0.7 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [ 97%] Built target unit-v2-test In file included from /usr/include/eigen3/Eigen/Core:341, from /usr/include/eigen3/Eigen/Eigenvalues:11, from /build/reproducible-path/libcifpp-7.0.7/test/unit-3d-test.cpp:33: /usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h: In function ‘static void Eigen::internal::trmv_selector::run(const Lhs&, const Rhs&, Dest&, const typename Dest::Scalar&) [with Lhs = Eigen::Transpose, -1, -1, false>, -1, -1, false> >; Rhs = Eigen::Transpose, const Eigen::CwiseNullaryOp, const Eigen::Matrix >, const Eigen::Transpose, -1, -1, false>, -1, 1, true>, -1, 1, false> > > >; Dest = Eigen::Transpose, 1, -1, true>, 1, -1, false> >; int Mode = 6]’: /usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:332:12: warning: ‘result’ may be used uninitialized [-Wmaybe-uninitialized] 327 | internal::triangular_matrix_vector_product | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 328 | | ~~~~~~~~~ 332 | ::run(actualLhs.rows(),actualLhs.cols(), | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 333 | actualLhs.data(),actualLhs.outerStride(), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 334 | actualRhsPtr,1, | ~~~~~~~~~~~~~~~ 335 | dest.data(),dest.innerStride(), | ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ 336 | actualAlpha); | ~~~~~~~~~~~~ /usr/include/eigen3/Eigen/src/Core/products/TriangularMatrixVector.h:105:24: note: by argument 5 of type ‘const float*’ to ‘static void Eigen::internal::triangular_matrix_vector_product::run(Index, Index, const LhsScalar*, Index, const RhsScalar*, Index, ResScalar*, Index, const ResScalar&) [with Index = long int; int Mode = 6; LhsScalar = float; bool ConjLhs = false; RhsScalar = float; bool ConjRhs = false; int Version = 0]’ declared here 105 | EIGEN_DONT_INLINE void triangular_matrix_vector_product | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ [100%] Linking CXX executable unit-3d-test cd /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit-3d-test.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/libcifpp-7.0.7=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wno-unused-parameter -Wno-missing-field-initializers -Wl,-z,relro -Wl,-z,now -Wl,--dependency-file,CMakeFiles/unit-3d-test.dir/link.d "CMakeFiles/unit-3d-test.dir/unit-3d-test.cpp.o" "CMakeFiles/test-main.dir/test-main.cpp.o" -o unit-3d-test -Wl,-rpath,/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu ../libcifpp.so.7.0.7 /usr/lib/libCatch2.a /usr/lib/x86_64-linux-gnu/libz.so make[4]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' [100%] Built target unit-3d-test make[3]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/CMakeFiles 0 make[2]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' make[1]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7' dh_auto_test cd obj-x86_64-linux-gnu && make -j42 test ARGS\+=--verbose ARGS\+=-j42 make[1]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' Running tests... /usr/bin/ctest --force-new-ctest-process --verbose -j42 UpdateCTestConfiguration from :/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/DartConfiguration.tcl Parse Config file:/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/DartConfiguration.tcl Parse Config file:/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/DartConfiguration.tcl Test project /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu Constructing a list of tests Done constructing a list of tests Updating test list for fixtures Added 0 tests to meet fixture requirements Checking test dependency graph... Checking test dependency graph end test 1 Start 1: unit-v2-test 1: Test command: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test/unit-v2-test "--data-dir" "/build/reproducible-path/libcifpp-7.0.7/test" 1: Working Directory: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test 1: Test timeout computed to be: 1500 test 2 Start 2: unit-3d-test 2: Test command: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test/unit-3d-test "--data-dir" "/build/reproducible-path/libcifpp-7.0.7/test" 2: Working Directory: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test 2: Test timeout computed to be: 1500 test 3 Start 3: format-test 3: Test command: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test/format-test "--data-dir" "/build/reproducible-path/libcifpp-7.0.7/test" 3: Working Directory: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test 3: Test timeout computed to be: 1500 test 4 Start 4: model-test 4: Test command: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test/model-test "--data-dir" "/build/reproducible-path/libcifpp-7.0.7/test" 4: Working Directory: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test 4: Test timeout computed to be: 1500 test 5 Start 5: rename-compound-test 5: Test command: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test/rename-compound-test "--data-dir" "/build/reproducible-path/libcifpp-7.0.7/test" 5: Working Directory: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test 5: Test timeout computed to be: 1500 test 6 Start 6: sugar-test 6: Test command: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test/sugar-test "--data-dir" "/build/reproducible-path/libcifpp-7.0.7/test" 6: Working Directory: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test 6: Test timeout computed to be: 1500 test 7 Start 7: spinner-test 7: Test command: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test/spinner-test "--data-dir" "/build/reproducible-path/libcifpp-7.0.7/test" 7: Working Directory: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test 7: Test timeout computed to be: 1500 test 8 Start 8: validate-pdbx-test 8: Test command: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test/validate-pdbx-test "--data-dir" "/build/reproducible-path/libcifpp-7.0.7/test" 8: Working Directory: /build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu/test 8: Test timeout computed to be: 1500 3: Randomness seeded to: 2012874619 3: Hello, world! 3: Hello, world! 3: Hello, world! 3: Hello, world! 3: Hello, world! 3: Hello, world! 3: Hello, world! 3: =============================================================================== 3: All tests passed (2 assertions in 2 test cases) 3: 1/8 Test #3: format-test ...................... Passed 0.01 sec 5: Randomness seeded to: 2242395284 5: inconsistent mandatory value for _diffrn_refln.standard_code in dictionary 5: choosing N 1: Randomness seeded to: 1945730012 1: warning: no child to parent links were found for child cat_1 and parent cat_3 1: Error parsing mmCIF: This file does not seem to be an mmCIF file 5: inconsistent mandatory value for _diffrn_refln.frame_id in dictionary 5: choosing N 4: Randomness seeded to: 3983458027 4: Warning: no atoms loaded 4: Warning: no atoms loaded 5: Creating component index ... done 5: Loading component RXA... done 5: Will not rename in child category since there are already rows that link to the parent 5: data_1CBS 5: # 5: _entry.id 1CBS 5: # 5: _audit_conform.dict_name mmcif_pdbx.dic 5: _audit_conform.dict_version 5.279 5: _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 5: # 5: _struct_biol.id 1 5: # 5: loop_ 5: _entity.id 5: _entity.type 5: _entity.src_method 5: _entity.pdbx_description 5: _entity.formula_weight 5: _entity.pdbx_number_of_molecules 5: _entity.pdbx_ec 5: _entity.pdbx_mutation 5: _entity.pdbx_fragment 5: _entity.details 5: 1 polymer man 'CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II' 15581.802 1 ? ? ? ? 5: 3 water nat water 18.015 100 ? ? ? ? 5: 4 non-polymer ? 'RENAMED RETINOIC ACID' 300.435 1 ? ? ? ? 5: # 5: _symmetry.entry_id 1CBS 5: _symmetry.space_group_name_H-M 'P 21 21 21' 5: _symmetry.pdbx_full_space_group_name_H-M ? 5: _symmetry.cell_setting ? 5: _symmetry.Int_Tables_number 19 5: # 5: _struct_site.id AC1 5: _struct_site.pdbx_evidence_code Software 5: _struct_site.pdbx_auth_asym_id ? 5: _struct_site.pdbx_auth_comp_id ? 5: _struct_site.pdbx_auth_seq_id ? 5: _struct_site.pdbx_auth_ins_code ? 5: _struct_site.pdbx_num_residues 10 5: _struct_site.details 'BINDING SITE FOR RESIDUE REA A 200' 5: # 5: _struct_sheet.id A 5: _struct_sheet.type ? 5: _struct_sheet.number_strands 10 5: _struct_sheet.details ? 5: # 5: _struct_ref.id 1 5: _struct_ref.db_name UNP 5: _struct_ref.db_code RABP2_HUMAN 5: _struct_ref.entity_id 1 5: _struct_ref.pdbx_db_accession P29373 5: _struct_ref.pdbx_align_begin 1 5: _struct_ref.pdbx_seq_one_letter_code 5: ;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP 5: CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE 5: ; 5: _struct_ref.pdbx_db_isoform ? 5: # 5: _struct_keywords.entry_id 1CBS 5: _struct_keywords.pdbx_keywords 'RETINOIC-ACID TRANSPORT' 5: _struct_keywords.text 'RETINOIC-ACID TRANSPORT' 5: # 5: _struct_conf_type.id HELX_P 5: _struct_conf_type.criteria ? 5: _struct_conf_type.reference ? 5: # 5: loop_ 5: _struct_asym.id 5: _struct_asym.pdbx_blank_PDB_chainid_flag 5: _struct_asym.pdbx_modified 5: _struct_asym.entity_id 5: _struct_asym.details 5: A N N 1 ? 5: B N N 4 ? 5: C N N 3 ? 5: # 5: _struct.entry_id 1CBS 5: _struct.title 5: ;CRYSTAL STRUCTURE OF CELLULAR RETINOIC-ACID-BINDING PROTEINS I AND II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID AND A SYNTHETIC RETINOID 5: ; 5: _struct.pdbx_descriptor 5: 'CELLULAR RETINOIC-ACID-BINDING PROTEIN TYPE II COMPLEXED WITH ALL-TRANS-RETINOIC ACID (THE PRESUMED PHYSIOLOGICAL LIGAND)' 5: _struct.pdbx_model_details ? 5: _struct.pdbx_CASP_flag ? 5: _struct.pdbx_model_type_details ? 5: # 5: _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' 5: _refine_hist.cycle_id LAST 5: _refine_hist.pdbx_number_atoms_protein 1091 5: _refine_hist.pdbx_number_atoms_nucleic_acid 0 5: _refine_hist.pdbx_number_atoms_ligand 22 5: _refine_hist.number_atoms_solvent 100 5: _refine_hist.number_atoms_total 1213 5: _refine_hist.d_res_high 1.8 5: _refine_hist.d_res_low 8.0 5: # 5: _refine.entry_id 1CBS 5: _refine.ls_number_reflns_obs 14312 5: _refine.ls_number_reflns_all ? 5: _refine.pdbx_ls_sigma_I ? 5: _refine.pdbx_ls_sigma_F 2. 5: _refine.pdbx_data_cutoff_high_absF ? 5: _refine.pdbx_data_cutoff_low_absF ? 5: _refine.pdbx_data_cutoff_high_rms_absF ? 5: _refine.ls_d_res_low 8.0 5: _refine.ls_d_res_high 1.8 5: _refine.ls_percent_reflns_obs 90.3 5: _refine.ls_R_factor_obs 0.2000000 5: _refine.ls_R_factor_all ? 5: _refine.ls_R_factor_R_work 0.2000000 5: _refine.ls_R_factor_R_free 0.2370000 5: _refine.ls_R_factor_R_free_error ? 5: _refine.ls_R_factor_R_free_error_details ? 5: _refine.ls_percent_reflns_R_free ? 5: _refine.ls_number_reflns_R_free ? 5: _refine.ls_number_parameters ? 5: _refine.ls_number_restraints ? 5: _refine.occupancy_min ? 5: _refine.occupancy_max ? 5: _refine.B_iso_mean 16.6 5: _refine.aniso_B[1][1] ? 5: _refine.aniso_B[2][2] ? 5: _refine.aniso_B[3][3] ? 5: _refine.aniso_B[1][2] ? 5: _refine.aniso_B[1][3] ? 5: _refine.aniso_B[2][3] ? 5: _refine.solvent_model_details ? 5: _refine.solvent_model_param_ksol ? 5: _refine.solvent_model_param_bsol ? 5: _refine.pdbx_ls_cross_valid_method ? 5: _refine.details ? 5: _refine.pdbx_starting_model ? 5: _refine.pdbx_method_to_determine_struct ? 5: _refine.pdbx_isotropic_thermal_model ? 5: _refine.pdbx_stereochemistry_target_values ? 5: _refine.pdbx_stereochem_target_val_spec_case ? 5: _refine.pdbx_R_Free_selection_details ? 5: _refine.pdbx_overall_ESU_R ? 5: _refine.pdbx_overall_ESU_R_Free ? 5: _refine.overall_SU_ML ? 5: _refine.overall_SU_B ? 5: _refine.pdbx_refine_id 'X-RAY DIFFRACTION' 5: _refine.pdbx_diffrn_id 1 5: _refine.pdbx_TLS_residual_ADP_flag ? 5: _refine.correlation_coeff_Fo_to_Fc ? 5: _refine.correlation_coeff_Fo_to_Fc_free ? 5: _refine.pdbx_solvent_vdw_probe_radii ? 5: _refine.pdbx_solvent_ion_probe_radii ? 5: _refine.pdbx_solvent_shrinkage_radii ? 5: _refine.pdbx_overall_phase_error ? 5: _refine.overall_SU_R_Cruickshank_DPI ? 5: _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? 5: _refine.pdbx_overall_SU_R_Blow_DPI ? 5: _refine.pdbx_overall_SU_R_free_Blow_DPI ? 5: # 5: _pdbx_struct_oper_list.id 1 5: _pdbx_struct_oper_list.type 'identity operation' 5: _pdbx_struct_oper_list.name 1_555 5: _pdbx_struct_oper_list.symmetry_operation x,y,z 5: _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 5: _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 5: _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 5: _pdbx_struct_oper_list.vector[1] 0.0000000000 5: _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 5: _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 5: _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 5: _pdbx_struct_oper_list.vector[2] 0.0000000000 5: _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 5: _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 5: _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 5: _pdbx_struct_oper_list.vector[3] 0.0000000000 5: # 5: _pdbx_struct_assembly.id 1 5: _pdbx_struct_assembly.details author_defined_assembly 5: _pdbx_struct_assembly.method_details ? 5: _pdbx_struct_assembly.oligomeric_details monomeric 5: _pdbx_struct_assembly.oligomeric_count 1 5: # 5: _pdbx_database_status.status_code REL 5: _pdbx_database_status.entry_id 1CBS 5: _pdbx_database_status.recvd_initial_deposition_date 1994-09-28 5: _pdbx_database_status.deposit_site ? 5: _pdbx_database_status.process_site ? 5: _pdbx_database_status.status_code_sf REL 5: _pdbx_database_status.status_code_mr ? 5: _pdbx_database_status.SG_entry ? 5: _pdbx_database_status.pdb_format_compatible Y 5: _pdbx_database_status.status_code_cs ? 5: # 5: loop_ 5: _pdbx_audit_revision_history.ordinal 5: _pdbx_audit_revision_history.data_content_type 5: _pdbx_audit_revision_history.major_revision 5: _pdbx_audit_revision_history.minor_revision 5: _pdbx_audit_revision_history.revision_date 5: 1 'Structure model' 1 0 1995-01-26 5: 2 'Structure model' 1 1 2008-03-24 5: 3 'Structure model' 1 2 2011-07-13 5: # 5: _exptl_crystal.id 1 5: _exptl_crystal.density_meas ? 5: _exptl_crystal.density_Matthews 2.70 5: _exptl_crystal.density_percent_sol 54.49 5: _exptl_crystal.description ? 5: # 5: _exptl.entry_id 1CBS 5: _exptl.method 'X-RAY DIFFRACTION' 5: _exptl.crystals_number ? 5: # 5: _entity_src_gen.entity_id 1 5: _entity_src_gen.pdbx_src_id 1 5: _entity_src_gen.pdbx_alt_source_flag sample 5: _entity_src_gen.pdbx_seq_type ? 5: _entity_src_gen.pdbx_beg_seq_num ? 5: _entity_src_gen.pdbx_end_seq_num ? 5: _entity_src_gen.gene_src_common_name human 5: _entity_src_gen.gene_src_genus Homo 5: _entity_src_gen.pdbx_gene_src_gene 'HUMAN CRABP-II' 5: _entity_src_gen.gene_src_species ? 5: _entity_src_gen.gene_src_strain ? 5: _entity_src_gen.gene_src_tissue ? 5: _entity_src_gen.gene_src_tissue_fraction ? 5: _entity_src_gen.gene_src_details ? 5: _entity_src_gen.pdbx_gene_src_fragment ? 5: _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' 5: _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 5: _entity_src_gen.pdbx_gene_src_variant ? 5: _entity_src_gen.pdbx_gene_src_cell_line BL21 5: _entity_src_gen.pdbx_gene_src_atcc ? 5: _entity_src_gen.pdbx_gene_src_organ ? 5: _entity_src_gen.pdbx_gene_src_organelle ? 5: _entity_src_gen.pdbx_gene_src_cell ? 5: _entity_src_gen.pdbx_gene_src_cellular_location ? 5: _entity_src_gen.host_org_common_name ? 5: _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' 5: _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 5: _entity_src_gen.host_org_genus Escherichia 5: _entity_src_gen.pdbx_host_org_gene ? 5: _entity_src_gen.pdbx_host_org_organ ? 5: _entity_src_gen.host_org_species 'Escherichia coli' 5: _entity_src_gen.pdbx_host_org_tissue ? 5: _entity_src_gen.pdbx_host_org_tissue_fraction ? 5: _entity_src_gen.pdbx_host_org_strain 'BL21 (DE3)' 5: _entity_src_gen.pdbx_host_org_variant ? 5: _entity_src_gen.pdbx_host_org_cell_line ? 5: _entity_src_gen.pdbx_host_org_atcc ? 5: _entity_src_gen.pdbx_host_org_culture_collection ? 5: _entity_src_gen.pdbx_host_org_cell ? 5: _entity_src_gen.pdbx_host_org_organelle ? 5: _entity_src_gen.pdbx_host_org_cellular_location ? 5: _entity_src_gen.pdbx_host_org_vector_type ? 5: _entity_src_gen.pdbx_host_org_vector ? 5: _entity_src_gen.host_org_details ? 5: _entity_src_gen.expression_system_id ? 5: _entity_src_gen.plasmid_name PET-3A 5: _entity_src_gen.plasmid_details ? 5: _entity_src_gen.pdbx_description ? 5: # 5: _entity_poly.entity_id 1 5: _entity_poly.type polypeptide(L) 5: _entity_poly.nstd_linkage no 5: _entity_poly.nstd_monomer no 5: _entity_poly.pdbx_seq_one_letter_code 5: ;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP 5: CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE 5: ; 5: _entity_poly.pdbx_seq_one_letter_code_can 5: ;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP 5: CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE 5: ; 5: _entity_poly.pdbx_strand_id A 5: _entity_poly.pdbx_target_identifier ? 5: # 5: _diffrn_radiation_wavelength.id 1 5: _diffrn_radiation_wavelength.wavelength . 5: _diffrn_radiation_wavelength.wt 1.0 5: # 5: _database_PDB_matrix.entry_id 1CBS 5: _database_PDB_matrix.origx[1][1] 1.000000 5: _database_PDB_matrix.origx[1][2] 0.000000 5: _database_PDB_matrix.origx[1][3] 0.000000 5: _database_PDB_matrix.origx[2][1] 0.000000 5: _database_PDB_matrix.origx[2][2] 1.000000 5: _database_PDB_matrix.origx[2][3] 0.000000 5: _database_PDB_matrix.origx[3][1] 0.000000 5: _database_PDB_matrix.origx[3][2] 0.000000 5: _database_PDB_matrix.origx[3][3] 1.000000 5: _database_PDB_matrix.origx_vector[1] 0.00000 5: _database_PDB_matrix.origx_vector[2] 0.00000 5: _database_PDB_matrix.origx_vector[3] 0.00000 5: # 5: loop_ 5: _database_2.database_id 5: _database_2.database_code 5: PDB 1CBS 5: WWPDB D_1000172215 5: # 5: loop_ 5: _citation.id 5: _citation.title 5: _citation.journal_abbrev 5: _citation.journal_volume 5: _citation.page_first 5: _citation.page_last 5: _citation.year 5: _citation.journal_id_ASTM 5: _citation.country 5: _citation.journal_id_ISSN 5: _citation.journal_id_CSD 5: _citation.book_publisher 5: _citation.pdbx_database_id_PubMed 5: _citation.pdbx_database_id_DOI 5: primary 5: ;Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoid. 5: ; 5: Structure 2 1241 1258 1994 STRUE6 UK 0969-2126 2005 ? 7704533 10.1016/S0969-2126(94)00125-1 5: 1 'Lipid-Binding Proteins: A Family of Fatty Acid and Retinoid Transport Proteins' 5: 'Adv.Protein Chem.' 45 89 ? 1994 APCHA2 US 0065-3233 0433 ? ? ? 5: 2 'Crystallisation and Preliminary X-Ray Analysis of Recombinant Bovine Cellular Retinoic Acid-Binding Protein' 5: 'Acta Crystallogr.,Sect.D' 50 370 ? 1994 ABCRE6 DK 0907-4449 0766 ? ? ? 5: 3 5: ;Crystallographic Studies on a Family of Lipophilic Transport Proteins. Refinement of P2 Myelin Protein and the Structure Determination and Refinement of Cellular Retinol-Binding Protein in Complex with All-Trans-Retinol 5: ; 5: J.Mol.Biol. 230 1225 ? 1993 JMOBAK UK 0022-2836 0070 ? ? ? 5: 4 'The Three-Dimensional Structure of P2 Myelin Protein' 5: 'Embo J.' 7 1597 ? 1988 EMJODG UK 0261-4189 0897 ? ? ? 5: # 5: loop_ 5: _chem_comp.id 5: _chem_comp.type 5: _chem_comp.mon_nstd_flag 5: _chem_comp.name 5: _chem_comp.pdbx_synonyms 5: _chem_comp.formula 5: _chem_comp.formula_weight 5: ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 5: ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 5: ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 5: ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 5: CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 5: GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 5: GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 5: GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 5: HOH non-polymer . WATER ? 'H2 O' 18.015 5: ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 5: LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 5: LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 5: MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 5: PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 5: PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 5: SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 5: THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 5: TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 5: TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 5: VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 5: RXA NON-POLYMER ? 'RENAMED RETINOIC ACID' ? 'C20 H28 O2' 300.435 5: # 5: _cell.entry_id 1CBS 5: _cell.length_a 45.650 5: _cell.length_b 47.560 5: _cell.length_c 77.610 5: _cell.angle_alpha 90.00 5: _cell.angle_beta 90.00 5: _cell.angle_gamma 90.00 5: _cell.Z_PDB 4 5: _cell.pdbx_unique_axis ? 5: # 5: loop_ 5: _audit_author.name 5: _audit_author.pdbx_ordinal 5: 'Kleywegt, G.J.' 1 5: 'Bergfors, T.' 2 5: 'Jones, T.A.' 3 5: # 5: loop_ 5: _atom_type.symbol 5: C 5: N 5: O 5: S 5: # 5: _atom_sites.entry_id 1CBS 5: _atom_sites.fract_transf_matrix[1][1] 0.021906 5: _atom_sites.fract_transf_matrix[1][2] 0.000000 5: _atom_sites.fract_transf_matrix[1][3] 0.000000 5: _atom_sites.fract_transf_matrix[2][1] 0.000000 5: _atom_sites.fract_transf_matrix[2][2] 0.021026 5: _atom_sites.fract_transf_matrix[2][3] 0.000000 5: _atom_sites.fract_transf_matrix[3][1] 0.000000 5: _atom_sites.fract_transf_matrix[3][2] 0.000000 5: _atom_sites.fract_transf_matrix[3][3] 0.012885 5: _atom_sites.fract_transf_vector[1] 0.00000 5: _atom_sites.fract_transf_vector[2] 0.00000 5: _atom_sites.fract_transf_vector[3] 0.00000 5: # 5: loop_ 5: _software.name 5: _software.classification 5: _software.version 5: _software.citation_id 5: _software.pdbx_ordinal 5: X-PLOR 'model building' . ? 1 5: X-PLOR refinement . ? 2 5: X-PLOR phasing . ? 3 5: # 5: loop_ 5: _refine_ls_restr.type 5: _refine_ls_restr.dev_ideal 5: _refine_ls_restr.dev_ideal_target 5: _refine_ls_restr.weight 5: _refine_ls_restr.number 5: _refine_ls_restr.pdbx_refine_id 5: _refine_ls_restr.pdbx_restraint_function 5: x_bond_d 0.010 ? ? ? 'X-RAY DIFFRACTION' ? 5: x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_deg 1.51 ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_dihedral_angle_d 27.4 ? ? ? 'X-RAY DIFFRACTION' ? 5: x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_improper_angle_d 1.32 ? ? ? 'X-RAY DIFFRACTION' ? 5: x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? 5: # 5: _refine_analyze.entry_id 1CBS 5: _refine_analyze.Luzzati_coordinate_error_obs 0.2 5: _refine_analyze.Luzzati_sigma_a_obs ? 5: _refine_analyze.Luzzati_d_res_low_obs ? 5: _refine_analyze.Luzzati_coordinate_error_free ? 5: _refine_analyze.Luzzati_sigma_a_free ? 5: _refine_analyze.Luzzati_d_res_low_free ? 5: _refine_analyze.number_disordered_residues ? 5: _refine_analyze.occupancy_sum_hydrogen ? 5: _refine_analyze.occupancy_sum_non_hydrogen ? 5: _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' 5: # 5: _pdbx_struct_assembly_gen.assembly_id 1 5: _pdbx_struct_assembly_gen.oper_expression 1 5: _pdbx_struct_assembly_gen.asym_id_list A,B,C 5: # 5: loop_ 5: _pdbx_audit_revision_group.ordinal 5: _pdbx_audit_revision_group.revision_ordinal 5: _pdbx_audit_revision_group.data_content_type 5: _pdbx_audit_revision_group.group 5: 1 2 'Structure model' 'Version format compliance' 5: 2 3 'Structure model' 'Version format compliance' 5: # 5: _pdbx_audit_revision_details.ordinal 1 5: _pdbx_audit_revision_details.revision_ordinal 1 5: _pdbx_audit_revision_details.data_content_type 'Structure model' 5: _pdbx_audit_revision_details.provider repository 5: _pdbx_audit_revision_details.type 'Initial release' 5: _pdbx_audit_revision_details.description ? 5: # 5: _diffrn.id 1 5: _diffrn.ambient_temp ? 5: _diffrn.ambient_temp_details ? 5: _diffrn.crystal_id 1 5: # 5: loop_ 5: _citation_author.citation_id 5: _citation_author.name 5: _citation_author.ordinal 5: primary 'Kleywegt, G.J.' 1 5: primary 'Bergfors, T.' 2 5: primary 'Senn, H.' 3 5: primary 'Le Motte, P.' 4 5: primary 'Gsell, B.' 5 5: primary 'Shudo, K.' 6 5: primary 'Jones, T.A.' 7 5: 1 'Banaszak, L.' 8 5: 1 'Winter, N.' 9 5: 1 'Xu, Z.' 10 5: 1 'Bernlohr, D.A.' 11 5: 1 'Cowan, S.W.' 12 5: 1 'Jones, T.A.' 13 5: 2 'Bergfors, T.' 14 5: 2 'Kleywegt, G.J.' 15 5: 2 'Jones, T.A.' 16 5: 3 'Cowan, S.W.' 17 5: 3 'Newcomer, M.E.' 18 5: 3 'Jones, T.A.' 19 5: 4 'Jones, T.A.' 20 5: 4 'Bergfors, T.' 21 5: 4 'Sedzik, J.' 22 5: 4 'Unge, T.' 23 5: # 5: _reflns.entry_id 1CBS 5: _reflns.observed_criterion_sigma_I 3. 5: _reflns.observed_criterion_sigma_F ? 5: _reflns.d_resolution_low ? 5: _reflns.d_resolution_high ? 5: _reflns.number_obs 14678 5: _reflns.number_all ? 5: _reflns.percent_possible_obs 90.3 5: _reflns.pdbx_Rmerge_I_obs ? 5: _reflns.pdbx_Rsym_value ? 5: _reflns.pdbx_netI_over_sigmaI ? 5: _reflns.B_iso_Wilson_estimate ? 5: _reflns.pdbx_redundancy ? 5: _reflns.pdbx_diffrn_id 1 5: _reflns.pdbx_ordinal 1 5: # 5: loop_ 5: _entity_poly_seq.entity_id 5: _entity_poly_seq.num 5: _entity_poly_seq.mon_id 5: _entity_poly_seq.hetero 5: 1 1 PRO n 5: 1 2 ASN n 5: 1 3 PHE n 5: 1 4 SER n 5: 1 5 GLY n 5: 1 6 ASN n 5: 1 7 TRP n 5: 1 8 LYS n 5: 1 9 ILE n 5: 1 10 ILE n 5: 1 11 ARG n 5: 1 12 SER n 5: 1 13 GLU n 5: 1 14 ASN n 5: 1 15 PHE n 5: 1 16 GLU n 5: 1 17 GLU n 5: 1 18 LEU n 5: 1 19 LEU n 5: 1 20 LYS n 5: 1 21 VAL n 5: 1 22 LEU n 5: 1 23 GLY n 5: 1 24 VAL n 5: 1 25 ASN n 5: 1 26 VAL n 5: 1 27 MET n 5: 1 28 LEU n 5: 1 29 ARG n 5: 1 30 LYS n 5: 1 31 ILE n 5: 1 32 ALA n 5: 1 33 VAL n 5: 1 34 ALA n 5: 1 35 ALA n 5: 1 36 ALA n 5: 1 37 SER n 5: 1 38 LYS n 5: 1 39 PRO n 5: 1 40 ALA n 5: 1 41 VAL n 5: 1 42 GLU n 5: 1 43 ILE n 5: 1 44 LYS n 5: 1 45 GLN n 5: 1 46 GLU n 5: 1 47 GLY n 5: 1 48 ASP n 5: 1 49 THR n 5: 1 50 PHE n 5: 1 51 TYR n 5: 1 52 ILE n 5: 1 53 LYS n 5: 1 54 THR n 5: 1 55 SER n 5: 1 56 THR n 5: 1 57 THR n 5: 1 58 VAL n 5: 1 59 ARG n 5: 1 60 THR n 5: 1 61 THR n 5: 1 62 GLU n 5: 1 63 ILE n 5: 1 64 ASN n 5: 1 65 PHE n 5: 1 66 LYS n 5: 1 67 VAL n 5: 1 68 GLY n 5: 1 69 GLU n 5: 1 70 GLU n 5: 1 71 PHE n 5: 1 72 GLU n 5: 1 73 GLU n 5: 1 74 GLN n 5: 1 75 THR n 5: 1 76 VAL n 5: 1 77 ASP n 5: 1 78 GLY n 5: 1 79 ARG n 5: 1 80 PRO n 5: 1 81 CYS n 5: 1 82 LYS n 5: 1 83 SER n 5: 1 84 LEU n 5: 1 85 VAL n 5: 1 86 LYS n 5: 1 87 TRP n 5: 1 88 GLU n 5: 1 89 SER n 5: 1 90 GLU n 5: 1 91 ASN n 5: 1 92 LYS n 5: 1 93 MET n 5: 1 94 VAL n 5: 1 95 CYS n 5: 1 96 GLU n 5: 1 97 GLN n 5: 1 98 LYS n 5: 1 99 LEU n 5: 1 100 LEU n 5: 1 101 LYS n 5: 1 102 GLY n 5: 1 103 GLU n 5: 1 104 GLY n 5: 1 105 PRO n 5: 1 106 LYS n 5: 1 107 THR n 5: 1 108 SER n 5: 1 109 TRP n 5: 1 110 THR n 5: 1 111 ARG n 5: 1 112 GLU n 5: 1 113 LEU n 5: 1 114 THR n 5: 1 115 ASN n 5: 1 116 ASP n 5: 1 117 GLY n 5: 1 118 GLU n 5: 1 119 LEU n 5: 1 120 ILE n 5: 1 121 LEU n 5: 1 122 THR n 5: 1 123 MET n 5: 1 124 THR n 5: 1 125 ALA n 5: 1 126 ASP n 5: 1 127 ASP n 5: 1 128 VAL n 5: 1 129 VAL n 5: 1 130 CYS n 5: 1 131 THR n 5: 1 132 ARG n 5: 1 133 VAL n 5: 1 134 TYR n 5: 1 135 VAL n 5: 1 136 ARG n 5: 1 137 GLU n 5: # 5: _diffrn_radiation.diffrn_id 1 5: _diffrn_radiation.wavelength_id 1 5: _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? 5: _diffrn_radiation.monochromator ? 5: _diffrn_radiation.pdbx_diffrn_protocol ? 5: _diffrn_radiation.pdbx_scattering_type x-ray 5: # 5: loop_ 5: _pdbx_poly_seq_scheme.asym_id 5: _pdbx_poly_seq_scheme.entity_id 5: _pdbx_poly_seq_scheme.seq_id 5: _pdbx_poly_seq_scheme.mon_id 5: _pdbx_poly_seq_scheme.ndb_seq_num 5: _pdbx_poly_seq_scheme.pdb_seq_num 5: _pdbx_poly_seq_scheme.auth_seq_num 5: _pdbx_poly_seq_scheme.pdb_mon_id 5: _pdbx_poly_seq_scheme.auth_mon_id 5: _pdbx_poly_seq_scheme.pdb_strand_id 5: _pdbx_poly_seq_scheme.pdb_ins_code 5: _pdbx_poly_seq_scheme.hetero 5: A 1 1 PRO 1 1 1 PRO PRO A . n 5: A 1 2 ASN 2 2 2 ASN ASN A . n 5: A 1 3 PHE 3 3 3 PHE PHE A . n 5: A 1 4 SER 4 4 4 SER SER A . n 5: A 1 5 GLY 5 5 5 GLY GLY A . n 5: A 1 6 ASN 6 6 6 ASN ASN A . n 5: A 1 7 TRP 7 7 7 TRP TRP A . n 5: A 1 8 LYS 8 8 8 LYS LYS A . n 5: A 1 9 ILE 9 9 9 ILE ILE A . n 5: A 1 10 ILE 10 10 10 ILE ILE A . n 5: A 1 11 ARG 11 11 11 ARG ARG A . n 5: A 1 12 SER 12 12 12 SER SER A . n 5: A 1 13 GLU 13 13 13 GLU GLU A . n 5: A 1 14 ASN 14 14 14 ASN ASN A . n 5: A 1 15 PHE 15 15 15 PHE PHE A . n 5: A 1 16 GLU 16 16 16 GLU GLU A . n 5: A 1 17 GLU 17 17 17 GLU GLU A . n 5: A 1 18 LEU 18 18 18 LEU LEU A . n 5: A 1 19 LEU 19 19 19 LEU LEU A . n 5: A 1 20 LYS 20 20 20 LYS LYS A . n 5: A 1 21 VAL 21 21 21 VAL VAL A . n 5: A 1 22 LEU 22 22 22 LEU LEU A . n 5: A 1 23 GLY 23 23 23 GLY GLY A . n 5: A 1 24 VAL 24 24 24 VAL VAL A . n 5: A 1 25 ASN 25 25 25 ASN ASN A . n 5: A 1 26 VAL 26 26 26 VAL VAL A . n 5: A 1 27 MET 27 27 27 MET MET A . n 5: A 1 28 LEU 28 28 28 LEU LEU A . n 5: A 1 29 ARG 29 29 29 ARG ARG A . n 5: A 1 30 LYS 30 30 30 LYS LYS A . n 5: A 1 31 ILE 31 31 31 ILE ILE A . n 5: A 1 32 ALA 32 32 32 ALA ALA A . n 5: A 1 33 VAL 33 33 33 VAL VAL A . n 5: A 1 34 ALA 34 34 34 ALA ALA A . n 5: A 1 35 ALA 35 35 35 ALA ALA A . n 5: A 1 36 ALA 36 36 36 ALA ALA A . n 5: A 1 37 SER 37 37 37 SER SER A . n 5: A 1 38 LYS 38 38 38 LYS LYS A . n 5: A 1 39 PRO 39 39 39 PRO PRO A . n 5: A 1 40 ALA 40 40 40 ALA ALA A . n 5: A 1 41 VAL 41 41 41 VAL VAL A . n 5: A 1 42 GLU 42 42 42 GLU GLU A . n 5: A 1 43 ILE 43 43 43 ILE ILE A . n 5: A 1 44 LYS 44 44 44 LYS LYS A . n 5: A 1 45 GLN 45 45 45 GLN GLN A . n 5: A 1 46 GLU 46 46 46 GLU GLU A . n 5: A 1 47 GLY 47 47 47 GLY GLY A . n 5: A 1 48 ASP 48 48 48 ASP ASP A . n 5: A 1 49 THR 49 49 49 THR THR A . n 5: A 1 50 PHE 50 50 50 PHE PHE A . n 5: A 1 51 TYR 51 51 51 TYR TYR A . n 5: A 1 52 ILE 52 52 52 ILE ILE A . n 5: A 1 53 LYS 53 53 53 LYS LYS A . n 5: A 1 54 THR 54 54 54 THR THR A . n 5: A 1 55 SER 55 55 55 SER SER A . n 5: A 1 56 THR 56 56 56 THR THR A . n 5: A 1 57 THR 57 57 57 THR THR A . n 5: A 1 58 VAL 58 58 58 VAL VAL A . n 5: A 1 59 ARG 59 59 59 ARG ARG A . n 5: A 1 60 THR 60 60 60 THR THR A . n 5: A 1 61 THR 61 61 61 THR THR A . n 5: A 1 62 GLU 62 62 62 GLU GLU A . n 5: A 1 63 ILE 63 63 63 ILE ILE A . n 5: A 1 64 ASN 64 64 64 ASN ASN A . n 5: A 1 65 PHE 65 65 65 PHE PHE A . n 5: A 1 66 LYS 66 66 66 LYS LYS A . n 5: A 1 67 VAL 67 67 67 VAL VAL A . n 5: A 1 68 GLY 68 68 68 GLY GLY A . n 5: A 1 69 GLU 69 69 69 GLU GLU A . n 5: A 1 70 GLU 70 70 70 GLU GLU A . n 5: A 1 71 PHE 71 71 71 PHE PHE A . n 5: A 1 72 GLU 72 72 72 GLU GLU A . n 5: A 1 73 GLU 73 73 73 GLU GLU A . n 5: A 1 74 GLN 74 74 74 GLN GLN A . n 5: A 1 75 THR 75 75 75 THR THR A . n 5: A 1 76 VAL 76 76 76 VAL VAL A . n 5: A 1 77 ASP 77 77 77 ASP ASP A . n 5: A 1 78 GLY 78 78 78 GLY GLY A . n 5: A 1 79 ARG 79 79 79 ARG ARG A . n 5: A 1 80 PRO 80 80 80 PRO PRO A . n 5: A 1 81 CYS 81 81 81 CYS CYS A . n 5: A 1 82 LYS 82 82 82 LYS LYS A . n 5: A 1 83 SER 83 83 83 SER SER A . n 5: A 1 84 LEU 84 84 84 LEU LEU A . n 5: A 1 85 VAL 85 85 85 VAL VAL A . n 5: A 1 86 LYS 86 86 86 LYS LYS A . n 5: A 1 87 TRP 87 87 87 TRP TRP A . n 5: A 1 88 GLU 88 88 88 GLU GLU A . n 5: A 1 89 SER 89 89 89 SER SER A . n 5: A 1 90 GLU 90 90 90 GLU GLU A . n 5: A 1 91 ASN 91 91 91 ASN ASN A . n 5: A 1 92 LYS 92 92 92 LYS LYS A . n 5: A 1 93 MET 93 93 93 MET MET A . n 5: A 1 94 VAL 94 94 94 VAL VAL A . n 5: A 1 95 CYS 95 95 95 CYS CYS A . n 5: A 1 96 GLU 96 96 96 GLU GLU A . n 5: A 1 97 GLN 97 97 97 GLN GLN A . n 5: A 1 98 LYS 98 98 98 LYS LYS A . n 5: A 1 99 LEU 99 99 99 LEU LEU A . n 5: A 1 100 LEU 100 100 100 LEU LEU A . n 5: A 1 101 LYS 101 101 101 LYS LYS A . n 5: A 1 102 GLY 102 102 102 GLY GLY A . n 5: A 1 103 GLU 103 103 103 GLU GLU A . n 5: A 1 104 GLY 104 104 104 GLY GLY A . n 5: A 1 105 PRO 105 105 105 PRO PRO A . n 5: A 1 106 LYS 106 106 106 LYS LYS A . n 5: A 1 107 THR 107 107 107 THR THR A . n 5: A 1 108 SER 108 108 108 SER SER A . n 5: A 1 109 TRP 109 109 109 TRP TRP A . n 5: A 1 110 THR 110 110 110 THR THR A . n 5: A 1 111 ARG 111 111 111 ARG ARG A . n 5: A 1 112 GLU 112 112 112 GLU GLU A . n 5: A 1 113 LEU 113 113 113 LEU LEU A . n 5: A 1 114 THR 114 114 114 THR THR A . n 5: A 1 115 ASN 115 115 115 ASN ASN A . n 5: A 1 116 ASP 116 116 116 ASP ASP A . n 5: A 1 117 GLY 117 117 117 GLY GLY A . n 5: A 1 118 GLU 118 118 118 GLU GLU A . n 5: A 1 119 LEU 119 119 119 LEU LEU A . n 5: A 1 120 ILE 120 120 120 ILE ILE A . n 5: A 1 121 LEU 121 121 121 LEU LEU A . n 5: A 1 122 THR 122 122 122 THR THR A . n 5: A 1 123 MET 123 123 123 MET MET A . n 5: A 1 124 THR 124 124 124 THR THR A . n 5: A 1 125 ALA 125 125 125 ALA ALA A . n 5: A 1 126 ASP 126 126 126 ASP ASP A . n 5: A 1 127 ASP 127 127 127 ASP ASP A . n 5: A 1 128 VAL 128 128 128 VAL VAL A . n 5: A 1 129 VAL 129 129 129 VAL VAL A . n 5: A 1 130 CYS 130 130 130 CYS CYS A . n 5: A 1 131 THR 131 131 131 THR THR A . n 5: A 1 132 ARG 132 132 132 ARG ARG A . n 5: A 1 133 VAL 133 133 133 VAL VAL A . n 5: A 1 134 TYR 134 134 134 TYR TYR A . n 5: A 1 135 VAL 135 135 135 VAL VAL A . n 5: A 1 136 ARG 136 136 136 ARG ARG A . n 5: A 1 137 GLU 137 137 137 GLU GLU A . n 5: # 5: loop_ 5: _atom_site.group_PDB 5: _atom_site.id 5: _atom_site.type_symbol 5: _atom_site.label_atom_id 5: _atom_site.label_alt_id 5: _atom_site.label_comp_id 5: _atom_site.label_asym_id 5: _atom_site.label_entity_id 5: _atom_site.label_seq_id 5: _atom_site.pdbx_PDB_ins_code 5: _atom_site.Cartn_x 5: _atom_site.Cartn_y 5: _atom_site.Cartn_z 5: _atom_site.occupancy 5: _atom_site.B_iso_or_equiv 5: _atom_site.pdbx_formal_charge 5: _atom_site.auth_seq_id 5: _atom_site.auth_comp_id 5: _atom_site.auth_asym_id 5: _atom_site.auth_atom_id 5: _atom_site.pdbx_PDB_model_num 5: ATOM 1 N N . PRO A 1 1 ? 16.979 13.301 44.555 1.00 30.05 ? 1 PRO A N 1 5: ATOM 2 C CA . PRO A 1 1 ? 18.150 13.525 43.680 1.00 28.82 ? 1 PRO A CA 1 5: ATOM 3 C C . PRO A 1 1 ? 18.656 14.966 43.784 1.00 26.59 ? 1 PRO A C 1 5: ATOM 4 O O . PRO A 1 1 ? 17.890 15.889 44.078 1.00 26.84 ? 1 PRO A O 1 5: ATOM 5 C CB . PRO A 1 1 ? 17.678 13.270 42.255 1.00 29.24 ? 1 PRO A CB 1 5: ATOM 6 C CG . PRO A 1 1 ? 16.248 13.734 42.347 1.00 29.29 ? 1 PRO A CG 1 5: ATOM 7 C CD . PRO A 1 1 ? 15.762 13.216 43.724 1.00 30.71 ? 1 PRO A CD 1 5: ATOM 8 N N . ASN A 1 2 ? 19.957 15.139 43.558 1.00 24.04 ? 2 ASN A N 1 5: ATOM 9 C CA . ASN A 1 2 ? 20.576 16.457 43.578 1.00 20.79 ? 2 ASN A CA 1 5: ATOM 10 C C . ASN A 1 2 ? 21.301 16.714 42.262 1.00 16.75 ? 2 ASN A C 1 5: ATOM 11 O O . ASN A 1 2 ? 22.402 16.215 42.028 1.00 15.23 ? 2 ASN A O 1 5: ATOM 12 C CB . ASN A 1 2 ? 21.559 16.620 44.724 1.00 22.81 ? 2 ASN A CB 1 5: ATOM 13 C CG . ASN A 1 2 ? 22.240 17.968 44.685 1.00 24.29 ? 2 ASN A CG 1 5: ATOM 14 O OD1 . ASN A 1 2 ? 21.612 18.984 44.358 1.00 21.87 ? 2 ASN A OD1 1 5: ATOM 15 N ND2 . ASN A 1 2 ? 23.537 17.983 44.966 1.00 27.94 ? 2 ASN A ND2 1 5: ATOM 16 N N . PHE A 1 3 ? 20.637 17.477 41.402 1.00 14.69 ? 3 PHE A N 1 5: ATOM 17 C CA . PHE A 1 3 ? 21.144 17.838 40.087 1.00 12.62 ? 3 PHE A CA 1 5: ATOM 18 C C . PHE A 1 3 ? 22.152 18.987 40.140 1.00 12.43 ? 3 PHE A C 1 5: ATOM 19 O O . PHE A 1 3 ? 22.796 19.289 39.136 1.00 12.12 ? 3 PHE A O 1 5: ATOM 20 C CB . PHE A 1 3 ? 19.970 18.262 39.188 1.00 10.74 ? 3 PHE A CB 1 5: ATOM 21 C CG . PHE A 1 3 ? 19.073 17.128 38.750 1.00 11.85 ? 3 PHE A CG 1 5: ATOM 22 C CD1 . PHE A 1 3 ? 18.066 16.646 39.581 1.00 10.90 ? 3 PHE A CD1 1 5: ATOM 23 C CD2 . PHE A 1 3 ? 19.189 16.588 37.475 1.00 13.26 ? 3 PHE A CD2 1 5: ATOM 24 C CE1 . PHE A 1 3 ? 17.200 15.662 39.149 1.00 9.12 ? 3 PHE A CE1 1 5: ATOM 25 C CE2 . PHE A 1 3 ? 18.312 15.594 37.041 1.00 11.76 ? 3 PHE A CE2 1 5: ATOM 26 C CZ . PHE A 1 3 ? 17.324 15.137 37.878 1.00 10.30 ? 3 PHE A CZ 1 5: ATOM 27 N N . SER A 1 4 ? 22.282 19.630 41.299 1.00 11.24 ? 4 SER A N 1 5: ATOM 28 C CA . SER A 1 4 ? 23.170 20.780 41.464 1.00 11.30 ? 4 SER A CA 1 5: ATOM 29 C C . SER A 1 4 ? 24.627 20.568 41.091 1.00 10.39 ? 4 SER A C 1 5: ATOM 30 O O . SER A 1 4 ? 25.201 19.532 41.384 1.00 10.24 ? 4 SER A O 1 5: ATOM 31 C CB . SER A 1 4 ? 23.112 21.301 42.906 1.00 13.53 ? 4 SER A CB 1 5: ATOM 32 O OG . SER A 1 4 ? 21.821 21.787 43.240 1.00 16.76 ? 4 SER A OG 1 5: ATOM 33 N N . GLY A 1 5 ? 25.224 21.572 40.460 1.00 9.87 ? 5 GLY A N 1 5: ATOM 34 C CA . GLY A 1 5 ? 26.628 21.486 40.103 1.00 10.86 ? 5 GLY A CA 1 5: ATOM 35 C C . GLY A 1 5 ? 26.985 22.158 38.794 1.00 11.21 ? 5 GLY A C 1 5: ATOM 36 O O . GLY A 1 5 ? 26.123 22.761 38.142 1.00 9.91 ? 5 GLY A O 1 5: ATOM 37 N N . ASN A 1 6 ? 28.277 22.142 38.475 1.00 10.41 ? 6 ASN A N 1 5: ATOM 38 C CA . ASN A 1 6 ? 28.796 22.676 37.211 1.00 11.06 ? 6 ASN A CA 1 5: ATOM 39 C C . ASN A 1 6 ? 29.117 21.435 36.378 1.00 10.33 ? 6 ASN A C 1 5: ATOM 40 O O . ASN A 1 6 ? 29.947 20.603 36.754 1.00 11.28 ? 6 ASN A O 1 5: ATOM 41 C CB . ASN A 1 6 ? 30.023 23.548 37.445 1.00 12.95 ? 6 ASN A CB 1 5: ATOM 42 C CG . ASN A 1 6 ? 29.675 24.816 38.200 1.00 18.08 ? 6 ASN A CG 1 5: ATOM 43 O OD1 . ASN A 1 6 ? 29.022 25.708 37.665 1.00 19.52 ? 6 ASN A OD1 1 5: ATOM 44 N ND2 . ASN A 1 6 ? 30.047 24.872 39.467 1.00 21.23 ? 6 ASN A ND2 1 5: ATOM 45 N N . TRP A 1 7 ? 28.399 21.289 35.272 1.00 8.66 ? 7 TRP A N 1 5: ATOM 46 C CA . TRP A 1 7 ? 28.518 20.119 34.424 1.00 8.74 ? 7 TRP A CA 1 5: ATOM 47 C C . TRP A 1 7 ? 29.246 20.352 33.092 1.00 9.63 ? 7 TRP A C 1 5: ATOM 48 O O . TRP A 1 7 ? 29.064 21.389 32.440 1.00 9.45 ? 7 TRP A O 1 5: ATOM 49 C CB . TRP A 1 7 ? 27.115 19.563 34.152 1.00 8.00 ? 7 TRP A CB 1 5: ATOM 50 C CG . TRP A 1 7 ? 26.325 19.198 35.391 1.00 8.01 ? 7 TRP A CG 1 5: ATOM 51 C CD1 . TRP A 1 7 ? 25.556 20.031 36.159 1.00 8.29 ? 7 TRP A CD1 1 5: ATOM 52 C CD2 . TRP A 1 7 ? 26.174 17.885 35.947 1.00 7.60 ? 7 TRP A CD2 1 5: ATOM 53 N NE1 . TRP A 1 7 ? 24.922 19.308 37.156 1.00 9.20 ? 7 TRP A NE1 1 5: ATOM 54 C CE2 . TRP A 1 7 ? 25.286 17.987 37.046 1.00 8.73 ? 7 TRP A CE2 1 5: ATOM 55 C CE3 . TRP A 1 7 ? 26.694 16.625 35.618 1.00 6.99 ? 7 TRP A CE3 1 5: ATOM 56 C CZ2 . TRP A 1 7 ? 24.909 16.876 37.815 1.00 7.67 ? 7 TRP A CZ2 1 5: ATOM 57 C CZ3 . TRP A 1 7 ? 26.320 15.527 36.380 1.00 7.58 ? 7 TRP A CZ3 1 5: ATOM 58 C CH2 . TRP A 1 7 ? 25.433 15.663 37.468 1.00 5.92 ? 7 TRP A CH2 1 5: ATOM 59 N N . LYS A 1 8 ? 30.052 19.368 32.702 1.00 9.39 ? 8 LYS A N 1 5: ATOM 60 C CA . LYS A 1 8 ? 30.802 19.424 31.450 1.00 11.56 ? 8 LYS A CA 1 5: ATOM 61 C C . LYS A 1 8 ? 30.342 18.243 30.611 1.00 10.56 ? 8 LYS A C 1 5: ATOM 62 O O . LYS A 1 8 ? 30.091 17.158 31.138 1.00 10.14 ? 8 LYS A O 1 5: ATOM 63 C CB . LYS A 1 8 ? 32.308 19.360 31.710 1.00 15.20 ? 8 LYS A CB 1 5: ATOM 64 C CG . LYS A 1 8 ? 32.785 18.080 32.313 1.00 18.52 ? 8 LYS A CG 1 5: ATOM 65 C CD . LYS A 1 8 ? 34.263 18.182 32.618 1.00 26.26 ? 8 LYS A CD 1 5: ATOM 66 C CE . LYS A 1 8 ? 35.091 18.499 31.378 1.00 29.22 ? 8 LYS A CE 1 5: ATOM 67 N NZ . LYS A 1 8 ? 35.067 17.393 30.369 1.00 32.48 ? 8 LYS A NZ 1 5: ATOM 68 N N . ILE A 1 9 ? 30.222 18.447 29.308 1.00 8.21 ? 9 ILE A N 1 5: ATOM 69 C CA . ILE A 1 9 ? 29.739 17.384 28.441 1.00 8.08 ? 9 ILE A CA 1 5: ATOM 70 C C . ILE A 1 9 ? 30.798 16.325 28.117 1.00 7.86 ? 9 ILE A C 1 5: ATOM 71 O O . ILE A 1 9 ? 31.990 16.635 28.028 1.00 8.38 ? 9 ILE A O 1 5: ATOM 72 C CB . ILE A 1 9 ? 29.148 17.997 27.144 1.00 10.70 ? 9 ILE A CB 1 5: ATOM 73 C CG1 . ILE A 1 9 ? 28.285 16.981 26.401 1.00 10.95 ? 9 ILE A CG1 1 5: ATOM 74 C CG2 . ILE A 1 9 ? 30.261 18.500 26.243 1.00 10.70 ? 9 ILE A CG2 1 5: ATOM 75 C CD1 . ILE A 1 9 ? 27.586 17.597 25.207 1.00 13.23 ? 9 ILE A CD1 1 5: ATOM 76 N N . ILE A 1 10 ? 30.373 15.067 27.995 1.00 7.08 ? 10 ILE A N 1 5: ATOM 77 C CA . ILE A 1 10 ? 31.288 13.988 27.656 1.00 7.45 ? 10 ILE A CA 1 5: ATOM 78 C C . ILE A 1 10 ? 30.812 13.201 26.441 1.00 8.49 ? 10 ILE A C 1 5: ATOM 79 O O . ILE A 1 10 ? 31.561 12.397 25.892 1.00 9.49 ? 10 ILE A O 1 5: ATOM 80 C CB . ILE A 1 10 ? 31.586 13.023 28.847 1.00 10.28 ? 10 ILE A CB 1 5: ATOM 81 C CG1 . ILE A 1 10 ? 30.304 12.393 29.382 1.00 10.51 ? 10 ILE A CG1 1 5: ATOM 82 C CG2 . ILE A 1 10 ? 32.349 13.756 29.963 1.00 10.10 ? 10 ILE A CG2 1 5: ATOM 83 C CD1 . ILE A 1 10 ? 30.578 11.242 30.325 1.00 12.18 ? 10 ILE A CD1 1 5: ATOM 84 N N . ARG A 1 11 ? 29.566 13.419 26.030 1.00 7.59 ? 11 ARG A N 1 5: ATOM 85 C CA . ARG A 1 11 ? 29.015 12.742 24.851 1.00 8.70 ? 11 ARG A CA 1 5: ATOM 86 C C . ARG A 1 11 ? 27.821 13.500 24.290 1.00 9.41 ? 11 ARG A C 1 5: ATOM 87 O O . ARG A 1 11 ? 26.990 14.004 25.043 1.00 9.84 ? 11 ARG A O 1 5: ATOM 88 C CB . ARG A 1 11 ? 28.563 11.316 25.184 1.00 8.07 ? 11 ARG A CB 1 5: ATOM 89 C CG . ARG A 1 11 ? 27.912 10.616 23.998 1.00 12.26 ? 11 ARG A CG 1 5: ATOM 90 C CD . ARG A 1 11 ? 27.234 9.340 24.394 1.00 13.46 ? 11 ARG A CD 1 5: ATOM 91 N NE . ARG A 1 11 ? 28.157 8.304 24.847 1.00 15.44 ? 11 ARG A NE 1 5: ATOM 92 C CZ . ARG A 1 11 ? 28.815 7.470 24.037 1.00 19.59 ? 11 ARG A CZ 1 5: ATOM 93 N NH1 . ARG A 1 11 ? 28.677 7.559 22.714 1.00 19.40 ? 11 ARG A NH1 1 5: ATOM 94 N NH2 . ARG A 1 11 ? 29.521 6.467 24.547 1.00 17.50 ? 11 ARG A NH2 1 5: ATOM 95 N N . SER A 1 12 ? 27.748 13.594 22.965 1.00 8.84 ? 12 SER A N 1 5: ATOM 96 C CA . SER A 1 12 ? 26.621 14.245 22.310 1.00 8.61 ? 12 SER A CA 1 5: ATOM 97 C C . SER A 1 12 ? 26.278 13.431 21.063 1.00 9.48 ? 12 SER A C 1 5: ATOM 98 O O . SER A 1 12 ? 27.159 13.147 20.250 1.00 9.84 ? 12 SER A O 1 5: ATOM 99 C CB . SER A 1 12 ? 26.966 15.676 21.925 1.00 9.02 ? 12 SER A CB 1 5: ATOM 100 O OG . SER A 1 12 ? 25.863 16.285 21.273 1.00 11.97 ? 12 SER A OG 1 5: ATOM 101 N N . GLU A 1 13 ? 25.016 13.038 20.924 1.00 7.59 ? 13 GLU A N 1 5: ATOM 102 C CA . GLU A 1 13 ? 24.586 12.258 19.768 1.00 9.67 ? 13 GLU A CA 1 5: ATOM 103 C C . GLU A 1 13 ? 23.368 12.887 19.118 1.00 9.06 ? 13 GLU A C 1 5: ATOM 104 O O . GLU A 1 13 ? 22.457 13.343 19.815 1.00 7.34 ? 13 GLU A O 1 5: ATOM 105 C CB . GLU A 1 13 ? 24.185 10.833 20.184 1.00 9.72 ? 13 GLU A CB 1 5: ATOM 106 C CG . GLU A 1 13 ? 25.257 10.018 20.895 1.00 15.17 ? 13 GLU A CG 1 5: ATOM 107 C CD . GLU A 1 13 ? 26.262 9.340 19.954 1.00 18.75 ? 13 GLU A CD 1 5: ATOM 108 O OE1 . GLU A 1 13 ? 26.031 9.310 18.726 1.00 18.53 ? 13 GLU A OE1 1 5: ATOM 109 O OE2 . GLU A 1 13 ? 27.286 8.822 20.457 1.00 19.23 ? 13 GLU A OE2 1 5: ATOM 110 N N . ASN A 1 14 ? 23.363 12.919 17.786 1.00 8.79 ? 14 ASN A N 1 5: ATOM 111 C CA . ASN A 1 14 ? 22.202 13.408 17.025 1.00 8.29 ? 14 ASN A CA 1 5: ATOM 112 C C . ASN A 1 14 ? 21.813 14.896 17.153 1.00 7.35 ? 14 ASN A C 1 5: ATOM 113 O O . ASN A 1 14 ? 20.681 15.245 16.860 1.00 7.00 ? 14 ASN A O 1 5: ATOM 114 C CB . ASN A 1 14 ? 20.989 12.522 17.383 1.00 7.23 ? 14 ASN A CB 1 5: ATOM 115 C CG . ASN A 1 14 ? 20.358 11.833 16.172 1.00 9.38 ? 14 ASN A CG 1 5: ATOM 116 O OD1 . ASN A 1 14 ? 20.996 11.670 15.128 1.00 10.37 ? 14 ASN A OD1 1 5: ATOM 117 N ND2 . ASN A 1 14 ? 19.106 11.436 16.310 1.00 6.35 ? 14 ASN A ND2 1 5: ATOM 118 N N . PHE A 1 15 ? 22.734 15.777 17.536 1.00 7.26 ? 15 PHE A N 1 5: ATOM 119 C CA . PHE A 1 15 ? 22.385 17.198 17.681 1.00 9.06 ? 15 PHE A CA 1 5: ATOM 120 C C . PHE A 1 15 ? 22.041 17.878 16.358 1.00 9.15 ? 15 PHE A C 1 5: ATOM 121 O O . PHE A 1 15 ? 21.041 18.578 16.265 1.00 8.64 ? 15 PHE A O 1 5: ATOM 122 C CB . PHE A 1 15 ? 23.497 17.990 18.379 1.00 10.05 ? 15 PHE A CB 1 5: ATOM 123 C CG . PHE A 1 15 ? 23.102 19.397 18.746 1.00 10.57 ? 15 PHE A CG 1 5: ATOM 124 C CD1 . PHE A 1 15 ? 22.032 19.633 19.605 1.00 13.39 ? 15 PHE A CD1 1 5: ATOM 125 C CD2 . PHE A 1 15 ? 23.813 20.485 18.254 1.00 11.47 ? 15 PHE A CD2 1 5: ATOM 126 C CE1 . PHE A 1 15 ? 21.678 20.929 19.968 1.00 13.52 ? 15 PHE A CE1 1 5: ATOM 127 C CE2 . PHE A 1 15 ? 23.467 21.784 18.609 1.00 11.60 ? 15 PHE A CE2 1 5: ATOM 128 C CZ . PHE A 1 15 ? 22.399 22.006 19.469 1.00 13.52 ? 15 PHE A CZ 1 5: ATOM 129 N N . GLU A 1 16 ? 22.878 17.699 15.342 1.00 11.17 ? 16 GLU A N 1 5: ATOM 130 C CA . GLU A 1 16 ? 22.583 18.313 14.053 1.00 12.58 ? 16 GLU A CA 1 5: ATOM 131 C C . GLU A 1 16 ? 21.271 17.797 13.468 1.00 11.71 ? 16 GLU A C 1 5: ATOM 132 O O . GLU A 1 16 ? 20.503 18.567 12.888 1.00 12.66 ? 16 GLU A O 1 5: ATOM 133 C CB . GLU A 1 16 ? 23.711 18.081 13.060 1.00 15.91 ? 16 GLU A CB 1 5: ATOM 134 C CG . GLU A 1 16 ? 23.274 18.337 11.626 1.00 21.31 ? 16 GLU A CG 1 5: ATOM 135 C CD . GLU A 1 16 ? 24.376 18.878 10.757 1.00 25.39 ? 16 GLU A CD 1 5: ATOM 136 O OE1 . GLU A 1 16 ? 25.526 18.984 11.240 1.00 27.92 ? 16 GLU A OE1 1 5: ATOM 137 O OE2 . GLU A 1 16 ? 24.084 19.213 9.588 1.00 28.60 ? 16 GLU A OE2 1 5: ATOM 138 N N . GLU A 1 17 ? 21.018 16.497 13.619 1.00 11.67 ? 17 GLU A N 1 5: ATOM 139 C CA . GLU A 1 17 ? 19.785 15.878 13.116 1.00 13.65 ? 17 GLU A CA 1 5: ATOM 140 C C . GLU A 1 17 ? 18.529 16.490 13.767 1.00 13.48 ? 17 GLU A C 1 5: ATOM 141 O O . GLU A 1 17 ? 17.490 16.662 13.115 1.00 11.68 ? 17 GLU A O 1 5: ATOM 142 C CB . GLU A 1 17 ? 19.811 14.361 13.325 1.00 17.06 ? 17 GLU A CB 1 5: ATOM 143 C CG . GLU A 1 17 ? 20.806 13.602 12.430 1.00 23.45 ? 17 GLU A CG 1 5: ATOM 144 C CD . GLU A 1 17 ? 22.279 13.624 12.909 1.00 27.80 ? 17 GLU A CD 1 5: ATOM 145 O OE1 . GLU A 1 17 ? 22.637 14.338 13.881 1.00 26.52 ? 17 GLU A OE1 1 5: ATOM 146 O OE2 . GLU A 1 17 ? 23.097 12.897 12.291 1.00 31.80 ? 17 GLU A OE2 1 5: ATOM 147 N N . LEU A 1 18 ? 18.640 16.834 15.048 1.00 10.82 ? 18 LEU A N 1 5: ATOM 148 C CA . LEU A 1 18 ? 17.547 17.468 15.777 1.00 9.45 ? 18 LEU A CA 1 5: ATOM 149 C C . LEU A 1 18 ? 17.302 18.849 15.155 1.00 9.27 ? 18 LEU A C 1 5: ATOM 150 O O . LEU A 1 18 ? 16.153 19.246 14.927 1.00 9.04 ? 18 LEU A O 1 5: ATOM 151 C CB . LEU A 1 18 ? 17.931 17.644 17.253 1.00 9.77 ? 18 LEU A CB 1 5: ATOM 152 C CG . LEU A 1 18 ? 16.921 18.358 18.163 1.00 11.36 ? 18 LEU A CG 1 5: ATOM 153 C CD1 . LEU A 1 18 ? 15.817 17.402 18.554 1.00 13.85 ? 18 LEU A CD1 1 5: ATOM 154 C CD2 . LEU A 1 18 ? 17.616 18.876 19.409 1.00 12.69 ? 18 LEU A CD2 1 5: ATOM 155 N N . LEU A 1 19 ? 18.387 19.568 14.864 1.00 10.75 ? 19 LEU A N 1 5: ATOM 156 C CA . LEU A 1 19 ? 18.275 20.906 14.276 1.00 11.15 ? 19 LEU A CA 1 5: ATOM 157 C C . LEU A 1 19 ? 17.671 20.873 12.874 1.00 12.52 ? 19 LEU A C 1 5: ATOM 158 O O . LEU A 1 19 ? 16.932 21.777 12.485 1.00 10.05 ? 19 LEU A O 1 5: ATOM 159 C CB . LEU A 1 19 ? 19.631 21.616 14.263 1.00 12.01 ? 19 LEU A CB 1 5: ATOM 160 C CG . LEU A 1 19 ? 20.282 21.963 15.614 1.00 10.42 ? 19 LEU A CG 1 5: ATOM 161 C CD1 . LEU A 1 19 ? 21.560 22.763 15.369 1.00 13.01 ? 19 LEU A CD1 1 5: ATOM 162 C CD2 . LEU A 1 19 ? 19.312 22.742 16.513 1.00 11.45 ? 19 LEU A CD2 1 5: ATOM 163 N N . LYS A 1 20 ? 17.944 19.795 12.150 1.00 14.41 ? 20 LYS A N 1 5: ATOM 164 C CA . LYS A 1 20 ? 17.427 19.628 10.800 1.00 16.54 ? 20 LYS A CA 1 5: ATOM 165 C C . LYS A 1 20 ? 15.902 19.512 10.832 1.00 16.17 ? 20 LYS A C 1 5: ATOM 166 O O . LYS A 1 20 ? 15.201 20.164 10.053 1.00 15.90 ? 20 LYS A O 1 5: ATOM 167 C CB . LYS A 1 20 ? 18.048 18.390 10.157 1.00 20.07 ? 20 LYS A CB 1 5: ATOM 168 C CG . LYS A 1 20 ? 18.592 18.643 8.765 1.00 26.61 ? 20 LYS A CG 1 5: ATOM 169 C CD . LYS A 1 20 ? 18.960 17.349 8.027 1.00 30.95 ? 20 LYS A CD 1 5: ATOM 170 C CE . LYS A 1 20 ? 20.226 16.690 8.579 1.00 35.68 ? 20 LYS A CE 1 5: ATOM 171 N NZ . LYS A 1 20 ? 21.485 17.466 8.342 1.00 39.27 ? 20 LYS A NZ 1 5: ATOM 172 N N . VAL A 1 21 ? 15.395 18.700 11.759 1.00 15.31 ? 21 VAL A N 1 5: ATOM 173 C CA . VAL A 1 21 ? 13.958 18.508 11.927 1.00 14.41 ? 21 VAL A CA 1 5: ATOM 174 C C . VAL A 1 21 ? 13.275 19.831 12.316 1.00 15.02 ? 21 VAL A C 1 5: ATOM 175 O O . VAL A 1 21 ? 12.150 20.119 11.878 1.00 13.59 ? 21 VAL A O 1 5: ATOM 176 C CB . VAL A 1 21 ? 13.674 17.422 12.998 1.00 14.93 ? 21 VAL A CB 1 5: ATOM 177 C CG1 . VAL A 1 21 ? 12.194 17.383 13.364 1.00 17.29 ? 21 VAL A CG1 1 5: ATOM 178 C CG2 . VAL A 1 21 ? 14.115 16.082 12.482 1.00 15.09 ? 21 VAL A CG2 1 5: ATOM 179 N N . LEU A 1 22 ? 13.966 20.643 13.119 1.00 14.52 ? 22 LEU A N 1 5: ATOM 180 C CA . LEU A 1 22 ? 13.432 21.938 13.569 1.00 14.42 ? 22 LEU A CA 1 5: ATOM 181 C C . LEU A 1 22 ? 13.478 22.984 12.467 1.00 15.49 ? 22 LEU A C 1 5: ATOM 182 O O . LEU A 1 22 ? 13.038 24.115 12.666 1.00 16.81 ? 22 LEU A O 1 5: ATOM 183 C CB . LEU A 1 22 ? 14.180 22.440 14.818 1.00 13.61 ? 22 LEU A CB 1 5: ATOM 184 C CG . LEU A 1 22 ? 13.986 21.565 16.069 1.00 13.97 ? 22 LEU A CG 1 5: ATOM 185 C CD1 . LEU A 1 22 ? 14.852 22.047 17.225 1.00 13.25 ? 22 LEU A CD1 1 5: ATOM 186 C CD2 . LEU A 1 22 ? 12.525 21.580 16.467 1.00 14.62 ? 22 LEU A CD2 1 5: ATOM 187 N N . GLY A 1 23 ? 14.062 22.618 11.328 1.00 16.41 ? 23 GLY A N 1 5: ATOM 188 C CA . GLY A 1 23 ? 14.123 23.516 10.183 1.00 17.05 ? 23 GLY A CA 1 5: ATOM 189 C C . GLY A 1 23 ? 15.241 24.539 10.125 1.00 18.00 ? 23 GLY A C 1 5: ATOM 190 O O . GLY A 1 23 ? 15.112 25.545 9.425 1.00 19.45 ? 23 GLY A O 1 5: ATOM 191 N N . VAL A 1 24 ? 16.320 24.315 10.869 1.00 14.78 ? 24 VAL A N 1 5: ATOM 192 C CA . VAL A 1 24 ? 17.440 25.241 10.860 1.00 13.71 ? 24 VAL A CA 1 5: ATOM 193 C C . VAL A 1 24 ? 18.289 24.983 9.607 1.00 15.09 ? 24 VAL A C 1 5: ATOM 194 O O . VAL A 1 24 ? 18.679 23.840 9.334 1.00 14.12 ? 24 VAL A O 1 5: ATOM 195 C CB . VAL A 1 24 ? 18.297 25.081 12.139 1.00 12.19 ? 24 VAL A CB 1 5: ATOM 196 C CG1 . VAL A 1 24 ? 19.465 26.054 12.109 1.00 8.69 ? 24 VAL A CG1 1 5: ATOM 197 C CG2 . VAL A 1 24 ? 17.416 25.294 13.388 1.00 11.37 ? 24 VAL A CG2 1 5: ATOM 198 N N . ASN A 1 25 ? 18.595 26.047 8.866 1.00 15.37 ? 25 ASN A N 1 5: ATOM 199 C CA . ASN A 1 25 ? 19.360 25.914 7.635 1.00 17.74 ? 25 ASN A CA 1 5: ATOM 200 C C . ASN A 1 25 ? 20.808 25.466 7.819 1.00 18.29 ? 25 ASN A C 1 5: ATOM 201 O O . ASN A 1 25 ? 21.377 25.592 8.903 1.00 18.05 ? 25 ASN A O 1 5: ATOM 202 C CB . ASN A 1 25 ? 19.230 27.172 6.742 1.00 19.41 ? 25 ASN A CB 1 5: ATOM 203 C CG . ASN A 1 25 ? 20.090 28.351 7.200 1.00 22.35 ? 25 ASN A CG 1 5: ATOM 204 O OD1 . ASN A 1 25 ? 21.207 28.189 7.698 1.00 22.64 ? 25 ASN A OD1 1 5: ATOM 205 N ND2 . ASN A 1 25 ? 19.602 29.558 6.933 1.00 24.15 ? 25 ASN A ND2 1 5: ATOM 206 N N . VAL A 1 26 ? 21.398 24.971 6.733 1.00 18.67 ? 26 VAL A N 1 5: ATOM 207 C CA . VAL A 1 26 ? 22.755 24.444 6.742 1.00 19.24 ? 26 VAL A CA 1 5: ATOM 208 C C . VAL A 1 26 ? 23.825 25.280 7.421 1.00 18.39 ? 26 VAL A C 1 5: ATOM 209 O O . VAL A 1 26 ? 24.558 24.764 8.261 1.00 18.50 ? 26 VAL A O 1 5: ATOM 210 C CB . VAL A 1 26 ? 23.223 24.088 5.320 1.00 20.77 ? 26 VAL A CB 1 5: ATOM 211 C CG1 . VAL A 1 26 ? 24.624 23.523 5.378 1.00 22.39 ? 26 VAL A CG1 1 5: ATOM 212 C CG2 . VAL A 1 26 ? 22.276 23.084 4.698 1.00 21.28 ? 26 VAL A CG2 1 5: ATOM 213 N N . MET A 1 27 ? 23.932 26.556 7.052 1.00 19.00 ? 27 MET A N 1 5: ATOM 214 C CA . MET A 1 27 ? 24.948 27.433 7.628 1.00 19.54 ? 27 MET A CA 1 5: ATOM 215 C C . MET A 1 27 ? 24.734 27.741 9.099 1.00 19.04 ? 27 MET A C 1 5: ATOM 216 O O . MET A 1 27 ? 25.702 27.820 9.849 1.00 18.28 ? 27 MET A O 1 5: ATOM 217 C CB . MET A 1 27 ? 25.104 28.736 6.830 1.00 23.31 ? 27 MET A CB 1 5: ATOM 218 C CG . MET A 1 27 ? 25.955 28.602 5.552 1.00 29.99 ? 27 MET A CG 1 5: ATOM 219 S SD . MET A 1 27 ? 24.975 28.527 4.010 1.00 37.48 ? 27 MET A SD 1 5: ATOM 220 C CE . MET A 1 27 ? 26.198 29.150 2.776 1.00 35.24 ? 27 MET A CE 1 5: ATOM 221 N N . LEU A 1 28 ? 23.480 27.932 9.507 1.00 16.74 ? 28 LEU A N 1 5: ATOM 222 C CA . LEU A 1 28 ? 23.190 28.209 10.912 1.00 16.39 ? 28 LEU A CA 1 5: ATOM 223 C C . LEU A 1 28 ? 23.477 26.954 11.722 1.00 16.86 ? 28 LEU A C 1 5: ATOM 224 O O . LEU A 1 28 ? 23.954 27.038 12.852 1.00 15.09 ? 28 LEU A O 1 5: ATOM 225 C CB . LEU A 1 28 ? 21.739 28.679 11.111 1.00 15.94 ? 28 LEU A CB 1 5: ATOM 226 C CG . LEU A 1 28 ? 21.490 30.154 10.741 1.00 16.72 ? 28 LEU A CG 1 5: ATOM 227 C CD1 . LEU A 1 28 ? 20.008 30.496 10.780 1.00 14.38 ? 28 LEU A CD1 1 5: ATOM 228 C CD2 . LEU A 1 28 ? 22.302 31.074 11.665 1.00 12.81 ? 28 LEU A CD2 1 5: ATOM 229 N N . ARG A 1 29 ? 23.228 25.791 11.121 1.00 16.05 ? 29 ARG A N 1 5: ATOM 230 C CA . ARG A 1 29 ? 23.498 24.524 11.798 1.00 18.43 ? 29 ARG A CA 1 5: ATOM 231 C C . ARG A 1 29 ? 24.980 24.377 12.076 1.00 19.22 ? 29 ARG A C 1 5: ATOM 232 O O . ARG A 1 29 ? 25.383 23.987 13.171 1.00 17.97 ? 29 ARG A O 1 5: ATOM 233 C CB . ARG A 1 29 ? 23.030 23.334 10.969 1.00 18.63 ? 29 ARG A CB 1 5: ATOM 234 C CG . ARG A 1 29 ? 21.596 22.983 11.189 1.00 21.26 ? 29 ARG A CG 1 5: ATOM 235 C CD . ARG A 1 29 ? 21.339 21.572 10.739 1.00 24.71 ? 29 ARG A CD 1 5: ATOM 236 N NE . ARG A 1 29 ? 20.571 21.564 9.513 1.00 29.88 ? 29 ARG A NE 1 5: ATOM 237 C CZ . ARG A 1 29 ? 21.019 21.147 8.340 1.00 29.19 ? 29 ARG A CZ 1 5: ATOM 238 N NH1 . ARG A 1 29 ? 22.248 20.682 8.205 1.00 30.52 ? 29 ARG A NH1 1 5: ATOM 239 N NH2 . ARG A 1 29 ? 20.232 21.233 7.295 1.00 31.61 ? 29 ARG A NH2 1 5: ATOM 240 N N . LYS A 1 30 ? 25.790 24.709 11.078 1.00 19.76 ? 30 LYS A N 1 5: ATOM 241 C CA . LYS A 1 30 ? 27.235 24.619 11.198 1.00 21.96 ? 30 LYS A CA 1 5: ATOM 242 C C . LYS A 1 30 ? 27.706 25.418 12.417 1.00 20.91 ? 30 LYS A C 1 5: ATOM 243 O O . LYS A 1 30 ? 28.470 24.916 13.239 1.00 22.15 ? 30 LYS A O 1 5: ATOM 244 C CB . LYS A 1 30 ? 27.894 25.143 9.915 1.00 25.07 ? 30 LYS A CB 1 5: ATOM 245 C CG . LYS A 1 30 ? 29.404 25.031 9.905 1.00 30.48 ? 30 LYS A CG 1 5: ATOM 246 C CD . LYS A 1 30 ? 30.013 25.631 8.639 1.00 35.43 ? 30 LYS A CD 1 5: ATOM 247 C CE . LYS A 1 30 ? 31.533 25.759 8.778 1.00 37.96 ? 30 LYS A CE 1 5: ATOM 248 N NZ . LYS A 1 30 ? 32.180 26.388 7.584 1.00 41.61 ? 30 LYS A NZ 1 5: ATOM 249 N N . ILE A 1 31 ? 27.208 26.643 12.544 1.00 18.38 ? 31 ILE A N 1 5: ATOM 250 C CA . ILE A 1 31 ? 27.557 27.527 13.652 1.00 16.41 ? 31 ILE A CA 1 5: ATOM 251 C C . ILE A 1 31 ? 27.105 26.932 14.989 1.00 15.39 ? 31 ILE A C 1 5: ATOM 252 O O . ILE A 1 31 ? 27.888 26.855 15.930 1.00 14.90 ? 31 ILE A O 1 5: ATOM 253 C CB . ILE A 1 31 ? 26.881 28.920 13.471 1.00 16.63 ? 31 ILE A CB 1 5: ATOM 254 C CG1 . ILE A 1 31 ? 27.419 29.606 12.208 1.00 18.74 ? 31 ILE A CG1 1 5: ATOM 255 C CG2 . ILE A 1 31 ? 27.071 29.791 14.713 1.00 15.71 ? 31 ILE A CG2 1 5: ATOM 256 C CD1 . ILE A 1 31 ? 26.735 30.946 11.858 1.00 17.27 ? 31 ILE A CD1 1 5: ATOM 257 N N . ALA A 1 32 ? 25.853 26.487 15.048 1.00 13.39 ? 32 ALA A N 1 5: ATOM 258 C CA . ALA A 1 32 ? 25.271 25.930 16.267 1.00 12.76 ? 32 ALA A CA 1 5: ATOM 259 C C . ALA A 1 32 ? 25.994 24.685 16.775 1.00 12.11 ? 32 ALA A C 1 5: ATOM 260 O O . ALA A 1 32 ? 26.325 24.598 17.946 1.00 10.54 ? 32 ALA A O 1 5: ATOM 261 C CB . ALA A 1 32 ? 23.790 25.638 16.040 1.00 12.45 ? 32 ALA A CB 1 5: ATOM 262 N N . VAL A 1 33 ? 26.252 23.731 15.886 1.00 11.95 ? 33 VAL A N 1 5: ATOM 263 C CA . VAL A 1 33 ? 26.932 22.490 16.256 1.00 13.80 ? 33 VAL A CA 1 5: ATOM 264 C C . VAL A 1 33 ? 28.328 22.701 16.855 1.00 14.00 ? 33 VAL A C 1 5: ATOM 265 O O . VAL A 1 33 ? 28.693 22.048 17.832 1.00 14.07 ? 33 VAL A O 1 5: ATOM 266 C CB . VAL A 1 33 ? 27.016 21.504 15.044 1.00 13.56 ? 33 VAL A CB 1 5: ATOM 267 C CG1 . VAL A 1 33 ? 27.909 20.318 15.375 1.00 16.07 ? 33 VAL A CG1 1 5: ATOM 268 C CG2 . VAL A 1 33 ? 25.621 21.006 14.684 1.00 14.96 ? 33 VAL A CG2 1 5: ATOM 269 N N . ALA A 1 34 ? 29.101 23.620 16.281 1.00 14.73 ? 34 ALA A N 1 5: ATOM 270 C CA . ALA A 1 34 ? 30.443 23.898 16.780 1.00 14.95 ? 34 ALA A CA 1 5: ATOM 271 C C . ALA A 1 34 ? 30.381 24.505 18.178 1.00 15.59 ? 34 ALA A C 1 5: ATOM 272 O O . ALA A 1 34 ? 31.120 24.085 19.065 1.00 16.65 ? 34 ALA A O 1 5: ATOM 273 C CB . ALA A 1 34 ? 31.191 24.844 15.833 1.00 16.10 ? 34 ALA A CB 1 5: ATOM 274 N N . ALA A 1 35 ? 29.495 25.480 18.375 1.00 13.20 ? 35 ALA A N 1 5: ATOM 275 C CA . ALA A 1 35 ? 29.371 26.134 19.671 1.00 13.04 ? 35 ALA A CA 1 5: ATOM 276 C C . ALA A 1 35 ? 28.807 25.200 20.749 1.00 12.91 ? 35 ALA A C 1 5: ATOM 277 O O . ALA A 1 35 ? 29.245 25.239 21.895 1.00 12.32 ? 35 ALA A O 1 5: ATOM 278 C CB . ALA A 1 35 ? 28.517 27.387 19.552 1.00 12.14 ? 35 ALA A CB 1 5: ATOM 279 N N . ALA A 1 36 ? 27.878 24.332 20.362 1.00 11.40 ? 36 ALA A N 1 5: ATOM 280 C CA . ALA A 1 36 ? 27.253 23.416 21.312 1.00 12.63 ? 36 ALA A CA 1 5: ATOM 281 C C . ALA A 1 36 ? 28.128 22.256 21.770 1.00 13.40 ? 36 ALA A C 1 5: ATOM 282 O O . ALA A 1 36 ? 27.743 21.512 22.668 1.00 13.47 ? 36 ALA A O 1 5: ATOM 283 C CB . ALA A 1 36 ? 25.952 22.883 20.744 1.00 11.79 ? 36 ALA A CB 1 5: ATOM 284 N N . SER A 1 37 ? 29.286 22.080 21.148 1.00 13.86 ? 37 SER A N 1 5: ATOM 285 C CA . SER A 1 37 ? 30.169 20.983 21.520 1.00 15.95 ? 37 SER A CA 1 5: ATOM 286 C C . SER A 1 37 ? 30.938 21.245 22.818 1.00 16.46 ? 37 SER A C 1 5: ATOM 287 O O . SER A 1 37 ? 31.488 20.320 23.406 1.00 18.23 ? 37 SER A O 1 5: ATOM 288 C CB . SER A 1 37 ? 31.145 20.689 20.388 1.00 16.93 ? 37 SER A CB 1 5: ATOM 289 O OG . SER A 1 37 ? 32.100 21.729 20.293 1.00 21.65 ? 37 SER A OG 1 5: ATOM 290 N N . LYS A 1 38 ? 30.957 22.496 23.272 1.00 16.91 ? 38 LYS A N 1 5: ATOM 291 C CA . LYS A 1 38 ? 31.657 22.869 24.502 1.00 18.36 ? 38 LYS A CA 1 5: ATOM 292 C C . LYS A 1 38 ? 30.817 23.809 25.382 1.00 15.90 ? 38 LYS A C 1 5: ATOM 293 O O . LYS A 1 38 ? 31.175 24.975 25.591 1.00 16.72 ? 38 LYS A O 1 5: ATOM 294 C CB . LYS A 1 38 ? 33.004 23.539 24.156 1.00 23.99 ? 38 LYS A CB 1 5: ATOM 295 C CG . LYS A 1 38 ? 32.907 24.607 23.046 1.00 30.97 ? 38 LYS A CG 1 5: ATOM 296 C CD . LYS A 1 38 ? 34.250 25.320 22.792 1.00 36.44 ? 38 LYS A CD 1 5: ATOM 297 C CE . LYS A 1 38 ? 34.266 26.098 21.456 1.00 38.70 ? 38 LYS A CE 1 5: ATOM 298 N NZ . LYS A 1 38 ? 33.193 27.131 21.321 1.00 39.37 ? 38 LYS A NZ 1 5: ATOM 299 N N . PRO A 1 39 ? 29.669 23.321 25.906 1.00 13.53 ? 39 PRO A N 1 5: ATOM 300 C CA . PRO A 1 39 ? 28.851 24.201 26.747 1.00 11.87 ? 39 PRO A CA 1 5: ATOM 301 C C . PRO A 1 39 ? 29.292 24.248 28.211 1.00 12.05 ? 39 PRO A C 1 5: ATOM 302 O O . PRO A 1 39 ? 30.027 23.380 28.676 1.00 12.12 ? 39 PRO A O 1 5: ATOM 303 C CB . PRO A 1 39 ? 27.469 23.560 26.649 1.00 9.34 ? 39 PRO A CB 1 5: ATOM 304 C CG . PRO A 1 39 ? 27.779 22.131 26.593 1.00 10.32 ? 39 PRO A CG 1 5: ATOM 305 C CD . PRO A 1 39 ? 29.009 22.020 25.703 1.00 10.86 ? 39 PRO A CD 1 5: ATOM 306 N N . ALA A 1 40 ? 28.921 25.316 28.898 1.00 11.52 ? 40 ALA A N 1 5: ATOM 307 C CA . ALA A 1 40 ? 29.192 25.423 30.329 1.00 11.84 ? 40 ALA A CA 1 5: ATOM 308 C C . ALA A 1 40 ? 27.773 25.329 30.894 1.00 10.23 ? 40 ALA A C 1 5: ATOM 309 O O . ALA A 1 40 ? 26.894 26.080 30.478 1.00 10.42 ? 40 ALA A O 1 5: ATOM 310 C CB . ALA A 1 40 ? 29.830 26.767 30.673 1.00 11.40 ? 40 ALA A CB 1 5: ATOM 311 N N . VAL A 1 41 ? 27.518 24.345 31.750 1.00 10.73 ? 41 VAL A N 1 5: ATOM 312 C CA . VAL A 1 41 ? 26.185 24.169 32.333 1.00 9.92 ? 41 VAL A CA 1 5: ATOM 313 C C . VAL A 1 41 ? 26.226 24.295 33.854 1.00 11.64 ? 41 VAL A C 1 5: ATOM 314 O O . VAL A 1 41 ? 27.026 23.627 34.514 1.00 11.40 ? 41 VAL A O 1 5: ATOM 315 C CB . VAL A 1 41 ? 25.594 22.772 31.987 1.00 10.67 ? 41 VAL A CB 1 5: ATOM 316 C CG1 . VAL A 1 41 ? 24.204 22.596 32.612 1.00 11.34 ? 41 VAL A CG1 1 5: ATOM 317 C CG2 . VAL A 1 41 ? 25.507 22.583 30.475 1.00 11.31 ? 41 VAL A CG2 1 5: ATOM 318 N N . GLU A 1 42 ? 25.364 25.147 34.399 1.00 10.94 ? 42 GLU A N 1 5: ATOM 319 C CA . GLU A 1 42 ? 25.271 25.327 35.845 1.00 12.40 ? 42 GLU A CA 1 5: ATOM 320 C C . GLU A 1 42 ? 23.837 25.095 36.316 1.00 11.42 ? 42 GLU A C 1 5: ATOM 321 O O . GLU A 1 42 ? 22.898 25.720 35.825 1.00 10.46 ? 42 GLU A O 1 5: ATOM 322 C CB . GLU A 1 42 ? 25.711 26.721 36.270 1.00 16.26 ? 42 GLU A CB 1 5: ATOM 323 C CG . GLU A 1 42 ? 25.495 26.947 37.768 1.00 23.78 ? 42 GLU A CG 1 5: ATOM 324 C CD . GLU A 1 42 ? 25.944 28.311 38.242 1.00 27.94 ? 42 GLU A CD 1 5: ATOM 325 O OE1 . GLU A 1 42 ? 25.308 29.329 37.872 1.00 29.92 ? 42 GLU A OE1 1 5: ATOM 326 O OE2 . GLU A 1 42 ? 26.935 28.351 39.002 1.00 32.64 ? 42 GLU A OE2 1 5: ATOM 327 N N . ILE A 1 43 ? 23.673 24.176 37.261 1.00 10.55 ? 43 ILE A N 1 5: ATOM 328 C CA . ILE A 1 43 ? 22.362 23.864 37.794 1.00 10.69 ? 43 ILE A CA 1 5: ATOM 329 C C . ILE A 1 43 ? 22.360 24.120 39.300 1.00 11.07 ? 43 ILE A C 1 5: ATOM 330 O O . ILE A 1 43 ? 23.307 23.764 39.992 1.00 10.83 ? 43 ILE A O 1 5: ATOM 331 C CB . ILE A 1 43 ? 21.996 22.374 37.552 1.00 10.47 ? 43 ILE A CB 1 5: ATOM 332 C CG1 . ILE A 1 43 ? 21.974 22.072 36.056 1.00 10.46 ? 43 ILE A CG1 1 5: ATOM 333 C CG2 . ILE A 1 43 ? 20.636 22.031 38.186 1.00 10.34 ? 43 ILE A CG2 1 5: ATOM 334 C CD1 . ILE A 1 43 ? 21.607 20.639 35.726 1.00 9.00 ? 43 ILE A CD1 1 5: ATOM 335 N N . LYS A 1 44 ? 21.315 24.784 39.778 1.00 12.26 ? 44 LYS A N 1 5: ATOM 336 C CA . LYS A 1 44 ? 21.127 25.051 41.201 1.00 13.96 ? 44 LYS A CA 1 5: ATOM 337 C C . LYS A 1 44 ? 19.729 24.528 41.516 1.00 14.16 ? 44 LYS A C 1 5: ATOM 338 O O . LYS A 1 44 ? 18.749 24.920 40.873 1.00 14.12 ? 44 LYS A O 1 5: ATOM 339 C CB . LYS A 1 44 ? 21.220 26.545 41.503 1.00 16.58 ? 44 LYS A CB 1 5: ATOM 340 C CG . LYS A 1 44 ? 22.580 27.150 41.170 1.00 22.90 ? 44 LYS A CG 1 5: ATOM 341 C CD . LYS A 1 44 ? 22.571 28.654 41.385 1.00 29.01 ? 44 LYS A CD 1 5: ATOM 342 C CE . LYS A 1 44 ? 23.890 29.293 40.982 1.00 31.56 ? 44 LYS A CE 1 5: ATOM 343 N NZ . LYS A 1 44 ? 23.818 30.781 41.111 1.00 34.70 ? 44 LYS A NZ 1 5: ATOM 344 N N . GLN A 1 45 ? 19.649 23.594 42.460 1.00 15.66 ? 45 GLN A N 1 5: ATOM 345 C CA . GLN A 1 45 ? 18.377 22.993 42.852 1.00 16.03 ? 45 GLN A CA 1 5: ATOM 346 C C . GLN A 1 45 ? 18.098 23.182 44.342 1.00 17.60 ? 45 GLN A C 1 5: ATOM 347 O O . GLN A 1 45 ? 18.989 23.024 45.164 1.00 17.17 ? 45 GLN A O 1 5: ATOM 348 C CB . GLN A 1 45 ? 18.397 21.498 42.544 1.00 15.51 ? 45 GLN A CB 1 5: ATOM 349 C CG . GLN A 1 45 ? 17.168 20.744 43.015 1.00 13.62 ? 45 GLN A CG 1 5: ATOM 350 C CD . GLN A 1 45 ? 17.312 19.256 42.838 1.00 15.68 ? 45 GLN A CD 1 5: ATOM 351 O OE1 . GLN A 1 45 ? 18.348 18.769 42.397 1.00 18.84 ? 45 GLN A OE1 1 5: ATOM 352 N NE2 . GLN A 1 45 ? 16.276 18.521 43.177 1.00 16.73 ? 45 GLN A NE2 1 5: ATOM 353 N N . GLU A 1 46 ? 16.868 23.551 44.670 1.00 18.48 ? 46 GLU A N 1 5: ATOM 354 C CA . GLU A 1 46 ? 16.441 23.718 46.062 1.00 21.26 ? 46 GLU A CA 1 5: ATOM 355 C C . GLU A 1 46 ? 15.108 23.004 46.105 1.00 19.06 ? 46 GLU A C 1 5: ATOM 356 O O . GLU A 1 46 ? 14.080 23.589 45.784 1.00 20.08 ? 46 GLU A O 1 5: ATOM 357 C CB . GLU A 1 46 ? 16.239 25.194 46.408 1.00 26.45 ? 46 GLU A CB 1 5: ATOM 358 C CG . GLU A 1 46 ? 17.284 25.787 47.361 1.00 37.46 ? 46 GLU A CG 1 5: ATOM 359 C CD . GLU A 1 46 ? 17.093 25.374 48.832 1.00 42.24 ? 46 GLU A CD 1 5: ATOM 360 O OE1 . GLU A 1 46 ? 16.192 25.944 49.501 1.00 44.05 ? 46 GLU A OE1 1 5: ATOM 361 O OE2 . GLU A 1 46 ? 17.867 24.507 49.320 1.00 44.14 ? 46 GLU A OE2 1 5: ATOM 362 N N . GLY A 1 47 ? 15.131 21.720 46.429 1.00 18.35 ? 47 GLY A N 1 5: ATOM 363 C CA . GLY A 1 47 ? 13.893 20.970 46.463 1.00 18.96 ? 47 GLY A CA 1 5: ATOM 364 C C . GLY A 1 47 ? 13.382 20.755 45.053 1.00 18.27 ? 47 GLY A C 1 5: ATOM 365 O O . GLY A 1 47 ? 14.067 20.157 44.238 1.00 18.05 ? 47 GLY A O 1 5: ATOM 366 N N . ASP A 1 48 ? 12.194 21.262 44.755 1.00 16.66 ? 48 ASP A N 1 5: ATOM 367 C CA . ASP A 1 48 ? 11.617 21.107 43.420 1.00 16.86 ? 48 ASP A CA 1 5: ATOM 368 C C . ASP A 1 48 ? 11.771 22.378 42.566 1.00 15.92 ? 48 ASP A C 1 5: ATOM 369 O O . ASP A 1 48 ? 11.139 22.511 41.504 1.00 14.50 ? 48 ASP A O 1 5: ATOM 370 C CB . ASP A 1 48 ? 10.136 20.694 43.513 1.00 19.00 ? 48 ASP A CB 1 5: ATOM 371 C CG . ASP A 1 48 ? 9.943 19.221 43.897 1.00 21.49 ? 48 ASP A CG 1 5: ATOM 372 O OD1 . ASP A 1 48 ? 10.901 18.406 43.840 1.00 23.51 ? 48 ASP A OD1 1 5: ATOM 373 O OD2 . ASP A 1 48 ? 8.802 18.868 44.243 1.00 25.04 ? 48 ASP A OD2 1 5: ATOM 374 N N . THR A 1 49 ? 12.610 23.299 43.042 1.00 13.75 ? 49 THR A N 1 5: ATOM 375 C CA . THR A 1 49 ? 12.870 24.551 42.348 1.00 13.82 ? 49 THR A CA 1 5: ATOM 376 C C . THR A 1 49 ? 14.231 24.460 41.678 1.00 13.22 ? 49 THR A C 1 5: ATOM 377 O O . THR A 1 49 ? 15.235 24.152 42.322 1.00 12.56 ? 49 THR A O 1 5: ATOM 378 C CB . THR A 1 49 ? 12.847 25.741 43.316 1.00 16.10 ? 49 THR A CB 1 5: ATOM 379 O OG1 . THR A 1 49 ? 11.556 25.815 43.941 1.00 17.94 ? 49 THR A OG1 1 5: ATOM 380 C CG2 . THR A 1 49 ? 13.100 27.037 42.571 1.00 16.15 ? 49 THR A CG2 1 5: ATOM 381 N N . PHE A 1 50 ? 14.266 24.794 40.392 1.00 12.20 ? 50 PHE A N 1 5: ATOM 382 C CA . PHE A 1 50 ? 15.485 24.704 39.602 1.00 10.82 ? 50 PHE A CA 1 5: ATOM 383 C C . PHE A 1 50 ? 15.842 25.979 38.855 1.00 10.40 ? 50 PHE A C 1 5: ATOM 384 O O . PHE A 1 50 ? 14.968 26.758 38.460 1.00 9.90 ? 50 PHE A O 1 5: ATOM 385 C CB . PHE A 1 50 ? 15.338 23.591 38.547 1.00 10.78 ? 50 PHE A CB 1 5: ATOM 386 C CG . PHE A 1 50 ? 15.316 22.192 39.107 1.00 13.13 ? 50 PHE A CG 1 5: ATOM 387 C CD1 . PHE A 1 50 ? 14.146 21.653 39.634 1.00 11.97 ? 50 PHE A CD1 1 5: ATOM 388 C CD2 . PHE A 1 50 ? 16.464 21.401 39.079 1.00 14.34 ? 50 PHE A CD2 1 5: ATOM 389 C CE1 . PHE A 1 50 ? 14.113 20.367 40.120 1.00 12.69 ? 50 PHE A CE1 1 5: ATOM 390 C CE2 . PHE A 1 50 ? 16.439 20.098 39.569 1.00 14.64 ? 50 PHE A CE2 1 5: ATOM 391 C CZ . PHE A 1 50 ? 15.258 19.582 40.092 1.00 13.15 ? 50 PHE A CZ 1 5: ATOM 392 N N . TYR A 1 51 ? 17.147 26.165 38.678 1.00 10.37 ? 51 TYR A N 1 5: ATOM 393 C CA . TYR A 1 51 ? 17.709 27.258 37.910 1.00 10.95 ? 51 TYR A CA 1 5: ATOM 394 C C . TYR A 1 51 ? 18.714 26.513 37.039 1.00 9.84 ? 51 TYR A C 1 5: ATOM 395 O O . TYR A 1 51 ? 19.540 25.761 37.547 1.00 9.78 ? 51 TYR A O 1 5: ATOM 396 C CB . TYR A 1 51 ? 18.436 28.284 38.790 1.00 12.57 ? 51 TYR A CB 1 5: ATOM 397 C CG . TYR A 1 51 ? 19.396 29.178 38.014 1.00 12.91 ? 51 TYR A CG 1 5: ATOM 398 C CD1 . TYR A 1 51 ? 18.939 30.302 37.327 1.00 15.83 ? 51 TYR A CD1 1 5: ATOM 399 C CD2 . TYR A 1 51 ? 20.762 28.896 37.974 1.00 14.05 ? 51 TYR A CD2 1 5: ATOM 400 C CE1 . TYR A 1 51 ? 19.822 31.126 36.621 1.00 16.52 ? 51 TYR A CE1 1 5: ATOM 401 C CE2 . TYR A 1 51 ? 21.655 29.705 37.275 1.00 14.62 ? 51 TYR A CE2 1 5: ATOM 402 C CZ . TYR A 1 51 ? 21.179 30.818 36.604 1.00 16.59 ? 51 TYR A CZ 1 5: ATOM 403 O OH . TYR A 1 51 ? 22.060 31.633 35.932 1.00 17.52 ? 51 TYR A OH 1 5: ATOM 404 N N . ILE A 1 52 ? 18.610 26.676 35.726 1.00 10.57 ? 52 ILE A N 1 5: ATOM 405 C CA . ILE A 1 52 ? 19.520 26.004 34.801 1.00 9.09 ? 52 ILE A CA 1 5: ATOM 406 C C . ILE A 1 52 ? 20.066 27.020 33.801 1.00 8.55 ? 52 ILE A C 1 5: ATOM 407 O O . ILE A 1 52 ? 19.296 27.652 33.086 1.00 10.49 ? 52 ILE A O 1 5: ATOM 408 C CB . ILE A 1 52 ? 18.807 24.859 34.026 1.00 8.96 ? 52 ILE A CB 1 5: ATOM 409 C CG1 . ILE A 1 52 ? 18.242 23.814 35.013 1.00 9.15 ? 52 ILE A CG1 1 5: ATOM 410 C CG2 . ILE A 1 52 ? 19.792 24.189 33.070 1.00 10.39 ? 52 ILE A CG2 1 5: ATOM 411 C CD1 . ILE A 1 52 ? 17.585 22.616 34.366 1.00 8.10 ? 52 ILE A CD1 1 5: ATOM 412 N N . LYS A 1 53 ? 21.388 27.197 33.791 1.00 8.61 ? 53 LYS A N 1 5: ATOM 413 C CA . LYS A 1 53 ? 22.049 28.115 32.868 1.00 9.66 ? 53 LYS A CA 1 5: ATOM 414 C C . LYS A 1 53 ? 22.939 27.319 31.924 1.00 8.71 ? 53 LYS A C 1 5: ATOM 415 O O . LYS A 1 53 ? 23.815 26.583 32.362 1.00 7.58 ? 53 LYS A O 1 5: ATOM 416 C CB . LYS A 1 53 ? 22.909 29.120 33.611 1.00 10.60 ? 53 LYS A CB 1 5: ATOM 417 C CG . LYS A 1 53 ? 23.580 30.135 32.688 1.00 14.21 ? 53 LYS A CG 1 5: ATOM 418 C CD . LYS A 1 53 ? 24.496 31.006 33.505 1.00 20.27 ? 53 LYS A CD 1 5: ATOM 419 C CE . LYS A 1 53 ? 24.831 32.319 32.828 1.00 26.91 ? 53 LYS A CE 1 5: ATOM 420 N NZ . LYS A 1 53 ? 25.878 33.009 33.659 1.00 29.12 ? 53 LYS A NZ 1 5: ATOM 421 N N . THR A 1 54 ? 22.686 27.445 30.625 1.00 8.49 ? 54 THR A N 1 5: ATOM 422 C CA . THR A 1 54 ? 23.478 26.747 29.628 1.00 7.98 ? 54 THR A CA 1 5: ATOM 423 C C . THR A 1 54 ? 24.118 27.820 28.764 1.00 8.23 ? 54 THR A C 1 5: ATOM 424 O O . THR A 1 54 ? 23.433 28.584 28.087 1.00 8.40 ? 54 THR A O 1 5: ATOM 425 C CB . THR A 1 54 ? 22.621 25.817 28.789 1.00 8.33 ? 54 THR A CB 1 5: ATOM 426 O OG1 . THR A 1 54 ? 21.896 24.946 29.660 1.00 9.95 ? 54 THR A OG1 1 5: ATOM 427 C CG2 . THR A 1 54 ? 23.505 24.976 27.873 1.00 4.95 ? 54 THR A CG2 1 5: ATOM 428 N N . SER A 1 55 ? 25.444 27.840 28.758 1.00 8.75 ? 55 SER A N 1 5: ATOM 429 C CA . SER A 1 55 ? 26.171 28.865 28.047 1.00 10.50 ? 55 SER A CA 1 5: ATOM 430 C C . SER A 1 55 ? 27.116 28.382 26.950 1.00 9.24 ? 55 SER A C 1 5: ATOM 431 O O . SER A 1 55 ? 27.802 27.370 27.101 1.00 8.98 ? 55 SER A O 1 5: ATOM 432 C CB . SER A 1 55 ? 26.934 29.694 29.082 1.00 13.09 ? 55 SER A CB 1 5: ATOM 433 O OG . SER A 1 55 ? 27.781 30.646 28.473 1.00 23.11 ? 55 SER A OG 1 5: ATOM 434 N N . THR A 1 56 ? 27.091 29.094 25.825 1.00 8.86 ? 56 THR A N 1 5: ATOM 435 C CA . THR A 1 56 ? 27.978 28.831 24.684 1.00 8.05 ? 56 THR A CA 1 5: ATOM 436 C C . THR A 1 56 ? 28.393 30.215 24.138 1.00 8.09 ? 56 THR A C 1 5: ATOM 437 O O . THR A 1 56 ? 27.834 31.237 24.525 1.00 7.17 ? 56 THR A O 1 5: ATOM 438 C CB . THR A 1 56 ? 27.296 28.024 23.534 1.00 6.70 ? 56 THR A CB 1 5: ATOM 439 O OG1 . THR A 1 56 ? 26.294 28.829 22.909 1.00 9.76 ? 56 THR A OG1 1 5: ATOM 440 C CG2 . THR A 1 56 ? 26.653 26.751 24.049 1.00 7.76 ? 56 THR A CG2 1 5: ATOM 441 N N . THR A 1 57 ? 29.381 30.242 23.249 1.00 9.17 ? 57 THR A N 1 5: ATOM 442 C CA . THR A 1 57 ? 29.871 31.485 22.644 1.00 8.49 ? 57 THR A CA 1 5: ATOM 443 C C . THR A 1 57 ? 28.820 32.222 21.802 1.00 7.50 ? 57 THR A C 1 5: ATOM 444 O O . THR A 1 57 ? 28.952 33.412 21.565 1.00 9.40 ? 57 THR A O 1 5: ATOM 445 C CB . THR A 1 57 ? 31.091 31.205 21.716 1.00 9.12 ? 57 THR A CB 1 5: ATOM 446 O OG1 . THR A 1 57 ? 30.758 30.171 20.786 1.00 9.41 ? 57 THR A OG1 1 5: ATOM 447 C CG2 . THR A 1 57 ? 32.297 30.775 22.516 1.00 11.48 ? 57 THR A CG2 1 5: ATOM 448 N N . VAL A 1 58 ? 27.786 31.510 21.356 1.00 8.04 ? 58 VAL A N 1 5: ATOM 449 C CA . VAL A 1 58 ? 26.733 32.090 20.500 1.00 9.09 ? 58 VAL A CA 1 5: ATOM 450 C C . VAL A 1 58 ? 25.328 32.224 21.102 1.00 8.67 ? 58 VAL A C 1 5: ATOM 451 O O . VAL A 1 58 ? 24.466 32.892 20.531 1.00 6.97 ? 58 VAL A O 1 5: ATOM 452 C CB . VAL A 1 58 ? 26.602 31.287 19.155 1.00 9.96 ? 58 VAL A CB 1 5: ATOM 453 C CG1 . VAL A 1 58 ? 27.976 31.161 18.454 1.00 11.08 ? 58 VAL A CG1 1 5: ATOM 454 C CG2 . VAL A 1 58 ? 26.010 29.890 19.404 1.00 9.41 ? 58 VAL A CG2 1 5: ATOM 455 N N . ARG A 1 59 ? 25.100 31.620 22.266 1.00 8.88 ? 59 ARG A N 1 5: ATOM 456 C CA . ARG A 1 59 ? 23.783 31.655 22.882 1.00 9.95 ? 59 ARG A CA 1 5: ATOM 457 C C . ARG A 1 59 ? 23.843 31.140 24.303 1.00 10.14 ? 59 ARG A C 1 5: ATOM 458 O O . ARG A 1 59 ? 24.440 30.108 24.556 1.00 10.10 ? 59 ARG A O 1 5: ATOM 459 C CB . ARG A 1 59 ? 22.837 30.751 22.074 1.00 13.11 ? 59 ARG A CB 1 5: ATOM 460 C CG . ARG A 1 59 ? 21.417 30.569 22.623 1.00 16.80 ? 59 ARG A CG 1 5: ATOM 461 C CD . ARG A 1 59 ? 20.521 29.961 21.535 1.00 18.74 ? 59 ARG A CD 1 5: ATOM 462 N NE . ARG A 1 59 ? 19.250 29.440 22.032 1.00 20.63 ? 59 ARG A NE 1 5: ATOM 463 C CZ . ARG A 1 59 ? 18.147 30.165 22.193 1.00 22.94 ? 59 ARG A CZ 1 5: ATOM 464 N NH1 . ARG A 1 59 ? 18.138 31.462 21.894 1.00 22.55 ? 59 ARG A NH1 1 5: ATOM 465 N NH2 . ARG A 1 59 ? 17.051 29.594 22.686 1.00 23.68 ? 59 ARG A NH2 1 5: ATOM 466 N N . THR A 1 60 ? 23.183 31.849 25.211 1.00 11.23 ? 60 THR A N 1 5: ATOM 467 C CA . THR A 1 60 ? 23.120 31.458 26.611 1.00 11.84 ? 60 THR A CA 1 5: ATOM 468 C C . THR A 1 60 ? 21.650 31.500 27.005 1.00 11.73 ? 60 THR A C 1 5: ATOM 469 O O . THR A 1 60 ? 20.934 32.423 26.620 1.00 13.69 ? 60 THR A O 1 5: ATOM 470 C CB . THR A 1 60 ? 23.916 32.451 27.519 1.00 10.13 ? 60 THR A CB 1 5: ATOM 471 O OG1 . THR A 1 60 ? 25.320 32.302 27.276 1.00 10.55 ? 60 THR A OG1 1 5: ATOM 472 C CG2 . THR A 1 60 ? 23.632 32.181 29.003 1.00 11.01 ? 60 THR A CG2 1 5: ATOM 473 N N . THR A 1 61 ? 21.183 30.470 27.706 1.00 11.78 ? 61 THR A N 1 5: ATOM 474 C CA . THR A 1 61 ? 19.797 30.413 28.175 1.00 11.54 ? 61 THR A CA 1 5: ATOM 475 C C . THR A 1 61 ? 19.831 30.214 29.686 1.00 10.88 ? 61 THR A C 1 5: ATOM 476 O O . THR A 1 61 ? 20.734 29.570 30.205 1.00 9.63 ? 61 THR A O 1 5: ATOM 477 C CB . THR A 1 61 ? 18.965 29.229 27.539 1.00 12.65 ? 61 THR A CB 1 5: ATOM 478 O OG1 . THR A 1 61 ? 19.563 27.976 27.874 1.00 14.13 ? 61 THR A OG1 1 5: ATOM 479 C CG2 . THR A 1 61 ? 18.889 29.336 26.012 1.00 14.15 ? 61 THR A CG2 1 5: ATOM 480 N N . GLU A 1 62 ? 18.878 30.828 30.382 1.00 12.14 ? 62 GLU A N 1 5: ATOM 481 C CA . GLU A 1 62 ? 18.749 30.698 31.833 1.00 12.88 ? 62 GLU A CA 1 5: ATOM 482 C C . GLU A 1 62 ? 17.283 30.444 32.100 1.00 12.21 ? 62 GLU A C 1 5: ATOM 483 O O . GLU A 1 62 ? 16.450 31.270 31.745 1.00 13.95 ? 62 GLU A O 1 5: ATOM 484 C CB . GLU A 1 62 ? 19.151 31.990 32.538 1.00 16.15 ? 62 GLU A CB 1 5: ATOM 485 C CG . GLU A 1 62 ? 20.585 32.344 32.326 1.00 23.65 ? 62 GLU A CG 1 5: ATOM 486 C CD . GLU A 1 62 ? 20.961 33.649 32.979 1.00 29.90 ? 62 GLU A CD 1 5: ATOM 487 O OE1 . GLU A 1 62 ? 20.969 33.703 34.229 1.00 31.84 ? 62 GLU A OE1 1 5: ATOM 488 O OE2 . GLU A 1 62 ? 21.258 34.616 32.236 1.00 33.89 ? 62 GLU A OE2 1 5: ATOM 489 N N . ILE A 1 63 ? 16.943 29.292 32.657 1.00 10.43 ? 63 ILE A N 1 5: ATOM 490 C CA . ILE A 1 63 ? 15.548 29.021 32.946 1.00 11.02 ? 63 ILE A CA 1 5: ATOM 491 C C . ILE A 1 63 ? 15.352 28.816 34.446 1.00 11.60 ? 63 ILE A C 1 5: ATOM 492 O O . ILE A 1 63 ? 16.286 28.434 35.144 1.00 9.20 ? 63 ILE A O 1 5: ATOM 493 C CB . ILE A 1 63 ? 14.976 27.816 32.125 1.00 11.28 ? 63 ILE A CB 1 5: ATOM 494 C CG1 . ILE A 1 63 ? 15.717 26.519 32.431 1.00 10.60 ? 63 ILE A CG1 1 5: ATOM 495 C CG2 . ILE A 1 63 ? 15.020 28.129 30.638 1.00 11.62 ? 63 ILE A CG2 1 5: ATOM 496 C CD1 . ILE A 1 63 ? 15.126 25.293 31.720 1.00 13.40 ? 63 ILE A CD1 1 5: ATOM 497 N N . ASN A 1 64 ? 14.184 29.219 34.933 1.00 12.13 ? 64 ASN A N 1 5: ATOM 498 C CA . ASN A 1 64 ? 13.824 29.083 36.343 1.00 14.79 ? 64 ASN A CA 1 5: ATOM 499 C C . ASN A 1 64 ? 12.451 28.441 36.375 1.00 13.29 ? 64 ASN A C 1 5: ATOM 500 O O . ASN A 1 64 ? 11.490 28.976 35.802 1.00 13.29 ? 64 ASN A O 1 5: ATOM 501 C CB . ASN A 1 64 ? 13.732 30.450 37.054 1.00 16.87 ? 64 ASN A CB 1 5: ATOM 502 C CG . ASN A 1 64 ? 15.079 31.089 37.279 1.00 20.91 ? 64 ASN A CG 1 5: ATOM 503 O OD1 . ASN A 1 64 ? 15.775 30.764 38.238 1.00 22.91 ? 64 ASN A OD1 1 5: ATOM 504 N ND2 . ASN A 1 64 ? 15.459 32.007 36.393 1.00 22.20 ? 64 ASN A ND2 1 5: ATOM 505 N N . PHE A 1 65 ? 12.347 27.301 37.044 1.00 12.90 ? 65 PHE A N 1 5: ATOM 506 C CA . PHE A 1 65 ? 11.058 26.641 37.132 1.00 12.63 ? 65 PHE A CA 1 5: ATOM 507 C C . PHE A 1 65 ? 10.858 25.841 38.410 1.00 13.07 ? 65 PHE A C 1 5: ATOM 508 O O . PHE A 1 65 ? 11.811 25.531 39.121 1.00 12.50 ? 65 PHE A O 1 5: ATOM 509 C CB . PHE A 1 65 ? 10.829 25.731 35.922 1.00 11.31 ? 65 PHE A CB 1 5: ATOM 510 C CG . PHE A 1 65 ? 11.794 24.586 35.825 1.00 12.32 ? 65 PHE A CG 1 5: ATOM 511 C CD1 . PHE A 1 65 ? 11.549 23.386 36.494 1.00 10.31 ? 65 PHE A CD1 1 5: ATOM 512 C CD2 . PHE A 1 65 ? 12.947 24.706 35.070 1.00 11.23 ? 65 PHE A CD2 1 5: ATOM 513 C CE1 . PHE A 1 65 ? 12.441 22.329 36.413 1.00 11.00 ? 65 PHE A CE1 1 5: ATOM 514 C CE2 . PHE A 1 65 ? 13.847 23.645 34.984 1.00 11.69 ? 65 PHE A CE2 1 5: ATOM 515 C CZ . PHE A 1 65 ? 13.593 22.461 35.655 1.00 12.20 ? 65 PHE A CZ 1 5: ATOM 516 N N . LYS A 1 66 ? 9.599 25.560 38.713 1.00 13.15 ? 66 LYS A N 1 5: ATOM 517 C CA . LYS A 1 66 ? 9.251 24.735 39.849 1.00 13.41 ? 66 LYS A CA 1 5: ATOM 518 C C . LYS A 1 66 ? 8.555 23.552 39.178 1.00 12.17 ? 66 LYS A C 1 5: ATOM 519 O O . LYS A 1 66 ? 7.763 23.747 38.251 1.00 12.93 ? 66 LYS A O 1 5: ATOM 520 C CB . LYS A 1 66 ? 8.313 25.498 40.800 1.00 16.68 ? 66 LYS A CB 1 5: ATOM 521 C CG . LYS A 1 66 ? 7.722 24.639 41.907 1.00 24.60 ? 66 LYS A CG 1 5: ATOM 522 C CD . LYS A 1 66 ? 7.391 25.453 43.165 1.00 28.53 ? 66 LYS A CD 1 5: ATOM 523 C CE . LYS A 1 66 ? 6.664 24.585 44.213 1.00 32.17 ? 66 LYS A CE 1 5: ATOM 524 N NZ . LYS A 1 66 ? 7.393 23.332 44.604 1.00 32.54 ? 66 LYS A NZ 1 5: ATOM 525 N N . VAL A 1 67 ? 8.918 22.329 39.562 1.00 11.82 ? 67 VAL A N 1 5: ATOM 526 C CA . VAL A 1 67 ? 8.295 21.141 38.975 1.00 10.93 ? 67 VAL A CA 1 5: ATOM 527 C C . VAL A 1 67 ? 6.783 21.174 39.226 1.00 11.97 ? 67 VAL A C 1 5: ATOM 528 O O . VAL A 1 67 ? 6.343 21.480 40.342 1.00 13.54 ? 67 VAL A O 1 5: ATOM 529 C CB . VAL A 1 67 ? 8.908 19.827 39.541 1.00 10.09 ? 67 VAL A CB 1 5: ATOM 530 C CG1 . VAL A 1 67 ? 8.271 18.617 38.883 1.00 10.96 ? 67 VAL A CG1 1 5: ATOM 531 C CG2 . VAL A 1 67 ? 10.410 19.808 39.320 1.00 10.21 ? 67 VAL A CG2 1 5: ATOM 532 N N . GLY A 1 68 ? 6.006 20.965 38.160 1.00 9.80 ? 68 GLY A N 1 5: ATOM 533 C CA . GLY A 1 68 ? 4.557 20.962 38.265 1.00 9.33 ? 68 GLY A CA 1 5: ATOM 534 C C . GLY A 1 68 ? 3.887 22.298 38.031 1.00 10.60 ? 68 GLY A C 1 5: ATOM 535 O O . GLY A 1 68 ? 2.653 22.389 38.039 1.00 11.93 ? 68 GLY A O 1 5: ATOM 536 N N . GLU A 1 69 ? 4.688 23.337 37.809 1.00 11.12 ? 69 GLU A N 1 5: ATOM 537 C CA . GLU A 1 69 ? 4.165 24.682 37.553 1.00 12.64 ? 69 GLU A CA 1 5: ATOM 538 C C . GLU A 1 69 ? 4.604 25.185 36.184 1.00 13.09 ? 69 GLU A C 1 5: ATOM 539 O O . GLU A 1 69 ? 5.774 25.107 35.820 1.00 12.17 ? 69 GLU A O 1 5: ATOM 540 C CB . GLU A 1 69 ? 4.578 25.642 38.668 1.00 12.20 ? 69 GLU A CB 1 5: ATOM 541 C CG . GLU A 1 69 ? 3.857 25.282 39.964 1.00 17.44 ? 69 GLU A CG 1 5: ATOM 542 C CD . GLU A 1 69 ? 4.116 26.211 41.138 1.00 21.02 ? 69 GLU A CD 1 5: ATOM 543 O OE1 . GLU A 1 69 ? 4.496 27.384 40.945 1.00 21.43 ? 69 GLU A OE1 1 5: ATOM 544 O OE2 . GLU A 1 69 ? 3.902 25.753 42.282 1.00 23.44 ? 69 GLU A OE2 1 5: ATOM 545 N N . GLU A 1 70 ? 3.633 25.622 35.397 1.00 14.53 ? 70 GLU A N 1 5: ATOM 546 C CA . GLU A 1 70 ? 3.912 26.102 34.059 1.00 15.80 ? 70 GLU A CA 1 5: ATOM 547 C C . GLU A 1 70 ? 4.816 27.329 34.007 1.00 13.72 ? 70 GLU A C 1 5: ATOM 548 O O . GLU A 1 70 ? 4.761 28.208 34.863 1.00 13.66 ? 70 GLU A O 1 5: ATOM 549 C CB . GLU A 1 70 ? 2.606 26.359 33.320 1.00 19.99 ? 70 GLU A CB 1 5: ATOM 550 C CG . GLU A 1 70 ? 2.814 26.634 31.851 1.00 28.23 ? 70 GLU A CG 1 5: ATOM 551 C CD . GLU A 1 70 ? 1.518 26.678 31.097 1.00 32.73 ? 70 GLU A CD 1 5: ATOM 552 O OE1 . GLU A 1 70 ? 0.975 25.589 30.789 1.00 35.76 ? 70 GLU A OE1 1 5: ATOM 553 O OE2 . GLU A 1 70 ? 1.045 27.802 30.823 1.00 35.75 ? 70 GLU A OE2 1 5: ATOM 554 N N . PHE A 1 71 ? 5.713 27.340 33.028 1.00 12.80 ? 71 PHE A N 1 5: ATOM 555 C CA . PHE A 1 71 ? 6.638 28.448 32.837 1.00 12.36 ? 71 PHE A CA 1 5: ATOM 556 C C . PHE A 1 71 ? 6.856 28.678 31.350 1.00 12.97 ? 71 PHE A C 1 5: ATOM 557 O O . PHE A 1 71 ? 6.382 27.917 30.516 1.00 12.54 ? 71 PHE A O 1 5: ATOM 558 C CB . PHE A 1 71 ? 7.975 28.243 33.589 1.00 10.02 ? 71 PHE A CB 1 5: ATOM 559 C CG . PHE A 1 71 ? 8.851 27.148 33.033 1.00 10.48 ? 71 PHE A CG 1 5: ATOM 560 C CD1 . PHE A 1 71 ? 8.549 25.815 33.256 1.00 9.95 ? 71 PHE A CD1 1 5: ATOM 561 C CD2 . PHE A 1 71 ? 10.006 27.459 32.331 1.00 9.29 ? 71 PHE A CD2 1 5: ATOM 562 C CE1 . PHE A 1 71 ? 9.380 24.811 32.793 1.00 9.74 ? 71 PHE A CE1 1 5: ATOM 563 C CE2 . PHE A 1 71 ? 10.832 26.464 31.868 1.00 9.51 ? 71 PHE A CE2 1 5: ATOM 564 C CZ . PHE A 1 71 ? 10.518 25.136 32.102 1.00 8.47 ? 71 PHE A CZ 1 5: ATOM 565 N N . GLU A 1 72 ? 7.581 29.733 31.028 1.00 15.04 ? 72 GLU A N 1 5: ATOM 566 C CA . GLU A 1 72 ? 7.826 30.063 29.644 1.00 17.19 ? 72 GLU A CA 1 5: ATOM 567 C C . GLU A 1 72 ? 9.323 30.036 29.357 1.00 15.53 ? 72 GLU A C 1 5: ATOM 568 O O . GLU A 1 72 ? 10.130 30.511 30.158 1.00 16.16 ? 72 GLU A O 1 5: ATOM 569 C CB . GLU A 1 72 ? 7.248 31.448 29.379 1.00 22.03 ? 72 GLU A CB 1 5: ATOM 570 C CG . GLU A 1 72 ? 6.700 31.658 28.002 1.00 30.80 ? 72 GLU A CG 1 5: ATOM 571 C CD . GLU A 1 72 ? 6.157 33.060 27.827 1.00 34.75 ? 72 GLU A CD 1 5: ATOM 572 O OE1 . GLU A 1 72 ? 5.014 33.309 28.276 1.00 35.88 ? 72 GLU A OE1 1 5: ATOM 573 O OE2 . GLU A 1 72 ? 6.885 33.912 27.255 1.00 38.91 ? 72 GLU A OE2 1 5: ATOM 574 N N . GLU A 1 73 ? 9.691 29.378 28.263 1.00 13.46 ? 73 GLU A N 1 5: ATOM 575 C CA . GLU A 1 73 ? 11.088 29.302 27.836 1.00 13.89 ? 73 GLU A CA 1 5: ATOM 576 C C . GLU A 1 73 ? 11.083 29.318 26.301 1.00 13.70 ? 73 GLU A C 1 5: ATOM 577 O O . GLU A 1 73 ? 10.159 29.859 25.690 1.00 13.63 ? 73 GLU A O 1 5: ATOM 578 C CB . GLU A 1 73 ? 11.780 28.032 28.379 1.00 12.63 ? 73 GLU A CB 1 5: ATOM 579 C CG . GLU A 1 73 ? 11.145 26.706 27.986 1.00 10.55 ? 73 GLU A CG 1 5: ATOM 580 C CD . GLU A 1 73 ? 11.997 25.499 28.366 1.00 8.94 ? 73 GLU A CD 1 5: ATOM 581 O OE1 . GLU A 1 73 ? 13.191 25.650 28.642 1.00 12.29 ? 73 GLU A OE1 1 5: ATOM 582 O OE2 . GLU A 1 73 ? 11.485 24.374 28.363 1.00 10.37 ? 73 GLU A OE2 1 5: ATOM 583 N N . GLN A 1 74 ? 12.115 28.751 25.685 1.00 13.09 ? 74 GLN A N 1 5: ATOM 584 C CA . GLN A 1 74 ? 12.187 28.691 24.239 1.00 13.16 ? 74 GLN A CA 1 5: ATOM 585 C C . GLN A 1 74 ? 12.618 27.315 23.806 1.00 12.86 ? 74 GLN A C 1 5: ATOM 586 O O . GLN A 1 74 ? 13.290 26.596 24.552 1.00 13.17 ? 74 GLN A O 1 5: ATOM 587 C CB . GLN A 1 74 ? 13.218 29.685 23.706 1.00 15.91 ? 74 GLN A CB 1 5: ATOM 588 C CG . GLN A 1 74 ? 12.803 31.133 23.779 1.00 19.68 ? 74 GLN A CG 1 5: ATOM 589 C CD . GLN A 1 74 ? 13.827 32.066 23.159 1.00 21.00 ? 74 GLN A CD 1 5: ATOM 590 O OE1 . GLN A 1 74 ? 15.010 31.730 23.024 1.00 22.37 ? 74 GLN A OE1 1 5: ATOM 591 N NE2 . GLN A 1 74 ? 13.373 33.247 22.774 1.00 24.07 ? 74 GLN A NE2 1 5: ATOM 592 N N . THR A 1 75 ? 12.229 26.935 22.600 1.00 10.98 ? 75 THR A N 1 5: ATOM 593 C CA . THR A 1 75 ? 12.664 25.656 22.056 1.00 11.83 ? 75 THR A CA 1 5: ATOM 594 C C . THR A 1 75 ? 14.162 25.828 21.729 1.00 11.24 ? 75 THR A C 1 5: ATOM 595 O O . THR A 1 75 ? 14.681 26.951 21.764 1.00 9.95 ? 75 THR A O 1 5: ATOM 596 C CB . THR A 1 75 ? 11.895 25.325 20.757 1.00 11.93 ? 75 THR A CB 1 5: ATOM 597 O OG1 . THR A 1 75 ? 12.123 26.366 19.795 1.00 13.31 ? 75 THR A OG1 1 5: ATOM 598 C CG2 . THR A 1 75 ? 10.396 25.202 21.042 1.00 13.29 ? 75 THR A CG2 1 5: ATOM 599 N N . VAL A 1 76 ? 14.841 24.731 21.377 1.00 13.77 ? 76 VAL A N 1 5: ATOM 600 C CA . VAL A 1 76 ? 16.278 24.762 21.049 1.00 14.39 ? 76 VAL A CA 1 5: ATOM 601 C C . VAL A 1 76 ? 16.612 25.734 19.914 1.00 12.97 ? 76 VAL A C 1 5: ATOM 602 O O . VAL A 1 76 ? 17.639 26.407 19.956 1.00 13.75 ? 76 VAL A O 1 5: ATOM 603 C CB . VAL A 1 76 ? 16.827 23.351 20.680 1.00 15.44 ? 76 VAL A CB 1 5: ATOM 604 C CG1 . VAL A 1 76 ? 18.332 23.314 20.844 1.00 17.74 ? 76 VAL A CG1 1 5: ATOM 605 C CG2 . VAL A 1 76 ? 16.218 22.293 21.548 1.00 19.99 ? 76 VAL A CG2 1 5: ATOM 606 N N . ASP A 1 77 ? 15.730 25.824 18.921 1.00 13.67 ? 77 ASP A N 1 5: ATOM 607 C CA . ASP A 1 77 ? 15.933 26.727 17.789 1.00 14.47 ? 77 ASP A CA 1 5: ATOM 608 C C . ASP A 1 77 ? 15.486 28.172 18.061 1.00 15.23 ? 77 ASP A C 1 5: ATOM 609 O O . ASP A 1 77 ? 15.461 29.002 17.153 1.00 14.90 ? 77 ASP A O 1 5: ATOM 610 C CB . ASP A 1 77 ? 15.301 26.158 16.503 1.00 15.63 ? 77 ASP A CB 1 5: ATOM 611 C CG . ASP A 1 77 ? 13.790 26.007 16.585 1.00 15.92 ? 77 ASP A CG 1 5: ATOM 612 O OD1 . ASP A 1 77 ? 13.260 25.470 17.586 1.00 14.64 ? 77 ASP A OD1 1 5: ATOM 613 O OD2 . ASP A 1 77 ? 13.123 26.409 15.613 1.00 17.79 ? 77 ASP A OD2 1 5: ATOM 614 N N . GLY A 1 78 ? 15.095 28.445 19.312 1.00 15.17 ? 78 GLY A N 1 5: ATOM 615 C CA . GLY A 1 78 ? 14.709 29.790 19.726 1.00 15.90 ? 78 GLY A CA 1 5: ATOM 616 C C . GLY A 1 78 ? 13.268 30.281 19.701 1.00 16.89 ? 78 GLY A C 1 5: ATOM 617 O O . GLY A 1 78 ? 13.038 31.489 19.790 1.00 19.37 ? 78 GLY A O 1 5: ATOM 618 N N . ARG A 1 79 ? 12.292 29.389 19.620 1.00 16.76 ? 79 ARG A N 1 5: ATOM 619 C CA . ARG A 1 79 ? 10.896 29.822 19.587 1.00 18.08 ? 79 ARG A CA 1 5: ATOM 620 C C . ARG A 1 79 ? 10.229 29.768 20.961 1.00 16.55 ? 79 ARG A C 1 5: ATOM 621 O O . ARG A 1 79 ? 10.379 28.787 21.680 1.00 16.57 ? 79 ARG A O 1 5: ATOM 622 C CB . ARG A 1 79 ? 10.112 28.961 18.604 1.00 20.74 ? 79 ARG A CB 1 5: ATOM 623 C CG . ARG A 1 79 ? 10.667 28.997 17.194 1.00 25.89 ? 79 ARG A CG 1 5: ATOM 624 C CD . ARG A 1 79 ? 9.986 27.976 16.310 1.00 29.77 ? 79 ARG A CD 1 5: ATOM 625 N NE . ARG A 1 79 ? 10.144 26.626 16.842 1.00 34.52 ? 79 ARG A NE 1 5: ATOM 626 C CZ . ARG A 1 79 ? 10.128 25.516 16.109 1.00 35.90 ? 79 ARG A CZ 1 5: ATOM 627 N NH1 . ARG A 1 79 ? 9.971 25.580 14.789 1.00 37.70 ? 79 ARG A NH1 1 5: ATOM 628 N NH2 . ARG A 1 79 ? 10.266 24.337 16.702 1.00 35.58 ? 79 ARG A NH2 1 5: ATOM 629 N N . PRO A 1 80 ? 9.501 30.830 21.352 1.00 15.98 ? 80 PRO A N 1 5: ATOM 630 C CA . PRO A 1 80 ? 8.819 30.867 22.651 1.00 15.47 ? 80 PRO A CA 1 5: ATOM 631 C C . PRO A 1 80 ? 7.825 29.725 22.833 1.00 14.23 ? 80 PRO A C 1 5: ATOM 632 O O . PRO A 1 80 ? 7.058 29.393 21.926 1.00 14.56 ? 80 PRO A O 1 5: ATOM 633 C CB . PRO A 1 80 ? 8.100 32.220 22.628 1.00 15.48 ? 80 PRO A CB 1 5: ATOM 634 C CG . PRO A 1 80 ? 9.010 33.057 21.846 1.00 18.18 ? 80 PRO A CG 1 5: ATOM 635 C CD . PRO A 1 80 ? 9.418 32.145 20.696 1.00 17.08 ? 80 PRO A CD 1 5: ATOM 636 N N . CYS A 1 81 ? 7.817 29.148 24.028 1.00 13.52 ? 81 CYS A N 1 5: ATOM 637 C CA . CYS A 1 81 ? 6.914 28.055 24.331 1.00 12.41 ? 81 CYS A CA 1 5: ATOM 638 C C . CYS A 1 81 ? 6.548 28.054 25.811 1.00 12.52 ? 81 CYS A C 1 5: ATOM 639 O O . CYS A 1 81 ? 7.202 28.718 26.624 1.00 11.74 ? 81 CYS A O 1 5: ATOM 640 C CB . CYS A 1 81 ? 7.563 26.705 23.950 1.00 11.59 ? 81 CYS A CB 1 5: ATOM 641 S SG . CYS A 1 81 ? 9.063 26.255 24.894 1.00 12.86 ? 81 CYS A SG 1 5: ATOM 642 N N . LYS A 1 82 ? 5.448 27.379 26.121 1.00 13.86 ? 82 LYS A N 1 5: ATOM 643 C CA . LYS A 1 82 ? 4.988 27.197 27.492 1.00 14.38 ? 82 LYS A CA 1 5: ATOM 644 C C . LYS A 1 82 ? 5.436 25.779 27.839 1.00 13.51 ? 82 LYS A C 1 5: ATOM 645 O O . LYS A 1 82 ? 5.227 24.842 27.063 1.00 12.69 ? 82 LYS A O 1 5: ATOM 646 C CB . LYS A 1 82 ? 3.473 27.299 27.589 1.00 18.36 ? 82 LYS A CB 1 5: ATOM 647 C CG . LYS A 1 82 ? 2.940 28.716 27.584 1.00 26.02 ? 82 LYS A CG 1 5: ATOM 648 C CD . LYS A 1 82 ? 3.353 29.506 28.826 1.00 31.13 ? 82 LYS A CD 1 5: ATOM 649 C CE . LYS A 1 82 ? 2.686 30.894 28.832 1.00 35.39 ? 82 LYS A CE 1 5: ATOM 650 N NZ . LYS A 1 82 ? 2.868 31.652 30.120 1.00 37.63 ? 82 LYS A NZ 1 5: ATOM 651 N N . SER A 1 83 ? 6.110 25.638 28.974 1.00 11.15 ? 83 SER A N 1 5: ATOM 652 C CA . SER A 1 83 ? 6.624 24.352 29.397 1.00 10.10 ? 83 SER A CA 1 5: ATOM 653 C C . SER A 1 83 ? 6.083 23.931 30.752 1.00 11.16 ? 83 SER A C 1 5: ATOM 654 O O . SER A 1 83 ? 5.721 24.769 31.575 1.00 10.21 ? 83 SER A O 1 5: ATOM 655 C CB . SER A 1 83 ? 8.149 24.418 29.446 1.00 10.30 ? 83 SER A CB 1 5: ATOM 656 O OG . SER A 1 83 ? 8.686 24.518 28.132 1.00 11.50 ? 83 SER A OG 1 5: ATOM 657 N N . LEU A 1 84 ? 6.028 22.620 30.954 1.00 11.17 ? 84 LEU A N 1 5: ATOM 658 C CA . LEU A 1 84 ? 5.557 22.016 32.192 1.00 11.84 ? 84 LEU A CA 1 5: ATOM 659 C C . LEU A 1 84 ? 6.427 20.793 32.470 1.00 10.42 ? 84 LEU A C 1 5: ATOM 660 O O . LEU A 1 84 ? 6.444 19.846 31.684 1.00 11.20 ? 84 LEU A O 1 5: ATOM 661 C CB . LEU A 1 84 ? 4.091 21.576 32.067 1.00 13.44 ? 84 LEU A CB 1 5: ATOM 662 C CG . LEU A 1 84 ? 3.552 20.784 33.270 1.00 15.74 ? 84 LEU A CG 1 5: ATOM 663 C CD1 . LEU A 1 84 ? 3.515 21.683 34.484 1.00 16.96 ? 84 LEU A CD1 1 5: ATOM 664 C CD2 . LEU A 1 84 ? 2.178 20.231 32.982 1.00 18.76 ? 84 LEU A CD2 1 5: ATOM 665 N N . VAL A 1 85 ? 7.146 20.828 33.589 1.00 9.60 ? 85 VAL A N 1 5: ATOM 666 C CA . VAL A 1 85 ? 8.028 19.738 34.006 1.00 9.50 ? 85 VAL A CA 1 5: ATOM 667 C C . VAL A 1 85 ? 7.344 18.878 35.082 1.00 9.74 ? 85 VAL A C 1 5: ATOM 668 O O . VAL A 1 85 ? 6.680 19.404 35.985 1.00 9.28 ? 85 VAL A O 1 5: ATOM 669 C CB . VAL A 1 85 ? 9.384 20.291 34.598 1.00 8.89 ? 85 VAL A CB 1 5: ATOM 670 C CG1 . VAL A 1 85 ? 10.327 19.140 34.970 1.00 8.20 ? 85 VAL A CG1 1 5: ATOM 671 C CG2 . VAL A 1 85 ? 10.062 21.227 33.612 1.00 8.48 ? 85 VAL A CG2 1 5: ATOM 672 N N . LYS A 1 86 ? 7.504 17.563 34.971 1.00 9.96 ? 86 LYS A N 1 5: ATOM 673 C CA . LYS A 1 86 ? 6.946 16.621 35.945 1.00 11.92 ? 86 LYS A CA 1 5: ATOM 674 C C . LYS A 1 86 ? 8.003 15.558 36.247 1.00 11.88 ? 86 LYS A C 1 5: ATOM 675 O O . LYS A 1 86 ? 8.917 15.340 35.453 1.00 11.00 ? 86 LYS A O 1 5: ATOM 676 C CB . LYS A 1 86 ? 5.700 15.911 35.385 1.00 12.40 ? 86 LYS A CB 1 5: ATOM 677 C CG . LYS A 1 86 ? 4.538 16.819 35.058 1.00 16.01 ? 86 LYS A CG 1 5: ATOM 678 C CD . LYS A 1 86 ? 3.333 16.017 34.559 1.00 21.36 ? 86 LYS A CD 1 5: ATOM 679 C CE . LYS A 1 86 ? 2.140 16.939 34.345 1.00 23.23 ? 86 LYS A CE 1 5: ATOM 680 N NZ . LYS A 1 86 ? 0.919 16.212 33.929 1.00 28.41 ? 86 LYS A NZ 1 5: ATOM 681 N N . TRP A 1 87 ? 7.868 14.889 37.386 1.00 10.75 ? 87 TRP A N 1 5: ATOM 682 C CA . TRP A 1 87 ? 8.775 13.811 37.738 1.00 9.53 ? 87 TRP A CA 1 5: ATOM 683 C C . TRP A 1 87 ? 8.238 12.559 37.052 1.00 9.89 ? 87 TRP A C 1 5: ATOM 684 O O . TRP A 1 87 ? 7.144 12.107 37.370 1.00 11.80 ? 87 TRP A O 1 5: ATOM 685 C CB . TRP A 1 87 ? 8.791 13.569 39.268 1.00 8.76 ? 87 TRP A CB 1 5: ATOM 686 C CG . TRP A 1 87 ? 9.494 14.641 40.062 1.00 8.86 ? 87 TRP A CG 1 5: ATOM 687 C CD1 . TRP A 1 87 ? 8.923 15.525 40.939 1.00 8.80 ? 87 TRP A CD1 1 5: ATOM 688 C CD2 . TRP A 1 87 ? 10.889 14.990 39.992 1.00 9.42 ? 87 TRP A CD2 1 5: ATOM 689 N NE1 . TRP A 1 87 ? 9.872 16.410 41.400 1.00 8.01 ? 87 TRP A NE1 1 5: ATOM 690 C CE2 . TRP A 1 87 ? 11.086 16.103 40.835 1.00 10.85 ? 87 TRP A CE2 1 5: ATOM 691 C CE3 . TRP A 1 87 ? 11.985 14.475 39.283 1.00 9.60 ? 87 TRP A CE3 1 5: ATOM 692 C CZ2 . TRP A 1 87 ? 12.340 16.716 40.994 1.00 11.45 ? 87 TRP A CZ2 1 5: ATOM 693 C CZ3 . TRP A 1 87 ? 13.230 15.084 39.438 1.00 10.72 ? 87 TRP A CZ3 1 5: ATOM 694 C CH2 . TRP A 1 87 ? 13.395 16.192 40.289 1.00 11.78 ? 87 TRP A CH2 1 5: ATOM 695 N N . GLU A 1 88 ? 8.954 12.040 36.064 1.00 9.93 ? 88 GLU A N 1 5: ATOM 696 C CA . GLU A 1 88 ? 8.526 10.807 35.416 1.00 11.30 ? 88 GLU A CA 1 5: ATOM 697 C C . GLU A 1 88 ? 8.826 9.726 36.448 1.00 11.75 ? 88 GLU A C 1 5: ATOM 698 O O . GLU A 1 88 ? 8.068 8.784 36.623 1.00 12.78 ? 88 GLU A O 1 5: ATOM 699 C CB . GLU A 1 88 ? 9.337 10.541 34.156 1.00 13.50 ? 88 GLU A CB 1 5: ATOM 700 C CG . GLU A 1 88 ? 8.917 9.261 33.454 1.00 18.67 ? 88 GLU A CG 1 5: ATOM 701 C CD . GLU A 1 88 ? 9.756 8.958 32.226 1.00 23.49 ? 88 GLU A CD 1 5: ATOM 702 O OE1 . GLU A 1 88 ? 9.581 9.650 31.205 1.00 26.53 ? 88 GLU A OE1 1 5: ATOM 703 O OE2 . GLU A 1 88 ? 10.587 8.025 32.276 1.00 26.54 ? 88 GLU A OE2 1 5: ATOM 704 N N . SER A 1 89 ? 9.972 9.870 37.103 1.00 11.49 ? 89 SER A N 1 5: ATOM 705 C CA . SER A 1 89 ? 10.402 8.954 38.158 1.00 11.10 ? 89 SER A CA 1 5: ATOM 706 C C . SER A 1 89 ? 11.206 9.776 39.163 1.00 11.14 ? 89 SER A C 1 5: ATOM 707 O O . SER A 1 89 ? 11.397 10.983 38.979 1.00 9.92 ? 89 SER A O 1 5: ATOM 708 C CB . SER A 1 89 ? 11.221 7.778 37.604 1.00 12.43 ? 89 SER A CB 1 5: ATOM 709 O OG . SER A 1 89 ? 12.396 8.215 36.947 1.00 14.39 ? 89 SER A OG 1 5: ATOM 710 N N . GLU A 1 90 ? 11.674 9.130 40.227 1.00 10.17 ? 90 GLU A N 1 5: ATOM 711 C CA . GLU A 1 90 ? 12.433 9.826 41.254 1.00 10.83 ? 90 GLU A CA 1 5: ATOM 712 C C . GLU A 1 90 ? 13.657 10.629 40.772 1.00 9.86 ? 90 GLU A C 1 5: ATOM 713 O O . GLU A 1 90 ? 13.932 11.715 41.289 1.00 10.30 ? 90 GLU A O 1 5: ATOM 714 C CB . GLU A 1 90 ? 12.858 8.846 42.348 1.00 11.92 ? 90 GLU A CB 1 5: ATOM 715 C CG . GLU A 1 90 ? 13.536 9.572 43.487 1.00 16.53 ? 90 GLU A CG 1 5: ATOM 716 C CD . GLU A 1 90 ? 13.912 8.671 44.644 1.00 19.80 ? 90 GLU A CD 1 5: ATOM 717 O OE1 . GLU A 1 90 ? 14.122 7.464 44.426 1.00 21.18 ? 90 GLU A OE1 1 5: ATOM 718 O OE2 . GLU A 1 90 ? 14.012 9.187 45.774 1.00 22.91 ? 90 GLU A OE2 1 5: ATOM 719 N N . ASN A 1 91 ? 14.376 10.102 39.783 1.00 8.79 ? 91 ASN A N 1 5: ATOM 720 C CA . ASN A 1 91 ? 15.578 10.767 39.274 1.00 10.50 ? 91 ASN A CA 1 5: ATOM 721 C C . ASN A 1 91 ? 15.455 11.289 37.855 1.00 9.69 ? 91 ASN A C 1 5: ATOM 722 O O . ASN A 1 91 ? 16.467 11.627 37.246 1.00 7.10 ? 91 ASN A O 1 5: ATOM 723 C CB . ASN A 1 91 ? 16.760 9.798 39.305 1.00 14.33 ? 91 ASN A CB 1 5: ATOM 724 C CG . ASN A 1 91 ? 17.064 9.307 40.693 1.00 17.71 ? 91 ASN A CG 1 5: ATOM 725 O OD1 . ASN A 1 91 ? 17.445 10.087 41.560 1.00 20.87 ? 91 ASN A OD1 1 5: ATOM 726 N ND2 . ASN A 1 91 ? 16.855 8.016 40.928 1.00 19.39 ? 91 ASN A ND2 1 5: ATOM 727 N N . LYS A 1 92 ? 14.230 11.387 37.352 1.00 8.60 ? 92 LYS A N 1 5: ATOM 728 C CA . LYS A 1 92 ? 14.016 11.835 35.981 1.00 8.88 ? 92 LYS A CA 1 5: ATOM 729 C C . LYS A 1 92 ? 12.861 12.812 35.807 1.00 8.61 ? 92 LYS A C 1 5: ATOM 730 O O . LYS A 1 92 ? 11.721 12.511 36.168 1.00 8.95 ? 92 LYS A O 1 5: ATOM 731 C CB . LYS A 1 92 ? 13.781 10.626 35.078 1.00 9.10 ? 92 LYS A CB 1 5: ATOM 732 C CG . LYS A 1 92 ? 13.566 10.996 33.618 1.00 11.95 ? 92 LYS A CG 1 5: ATOM 733 C CD . LYS A 1 92 ? 13.467 9.762 32.759 1.00 14.04 ? 92 LYS A CD 1 5: ATOM 734 C CE . LYS A 1 92 ? 13.333 10.124 31.299 1.00 16.33 ? 92 LYS A CE 1 5: ATOM 735 N NZ . LYS A 1 92 ? 13.129 8.884 30.506 1.00 17.37 ? 92 LYS A NZ 1 5: ATOM 736 N N . MET A 1 93 ? 13.172 13.988 35.268 1.00 7.58 ? 93 MET A N 1 5: ATOM 737 C CA . MET A 1 93 ? 12.159 14.985 34.995 1.00 8.21 ? 93 MET A CA 1 5: ATOM 738 C C . MET A 1 93 ? 11.915 15.038 33.496 1.00 9.18 ? 93 MET A C 1 5: ATOM 739 O O . MET A 1 93 ? 12.833 14.838 32.690 1.00 7.74 ? 93 MET A O 1 5: ATOM 740 C CB . MET A 1 93 ? 12.565 16.359 35.523 1.00 9.68 ? 93 MET A CB 1 5: ATOM 741 C CG . MET A 1 93 ? 13.826 16.925 34.937 1.00 13.16 ? 93 MET A CG 1 5: ATOM 742 S SD . MET A 1 93 ? 14.238 18.543 35.628 1.00 17.49 ? 93 MET A SD 1 5: ATOM 743 C CE . MET A 1 93 ? 15.009 18.106 37.076 1.00 18.53 ? 93 MET A CE 1 5: ATOM 744 N N . VAL A 1 94 ? 10.658 15.239 33.128 1.00 9.48 ? 94 VAL A N 1 5: ATOM 745 C CA . VAL A 1 94 ? 10.266 15.334 31.726 1.00 9.55 ? 94 VAL A CA 1 5: ATOM 746 C C . VAL A 1 94 ? 9.516 16.639 31.528 1.00 10.10 ? 94 VAL A C 1 5: ATOM 747 O O . VAL A 1 94 ? 8.683 17.024 32.364 1.00 9.47 ? 94 VAL A O 1 5: ATOM 748 C CB . VAL A 1 94 ? 9.371 14.164 31.315 1.00 11.05 ? 94 VAL A CB 1 5: ATOM 749 C CG1 . VAL A 1 94 ? 8.878 14.354 29.878 1.00 12.88 ? 94 VAL A CG1 1 5: ATOM 750 C CG2 . VAL A 1 94 ? 10.147 12.866 31.420 1.00 14.00 ? 94 VAL A CG2 1 5: ATOM 751 N N . CYS A 1 95 ? 9.802 17.312 30.413 1.00 9.49 ? 95 CYS A N 1 5: ATOM 752 C CA . CYS A 1 95 ? 9.169 18.582 30.094 1.00 8.82 ? 95 CYS A CA 1 5: ATOM 753 C C . CYS A 1 95 ? 8.431 18.559 28.758 1.00 11.70 ? 95 CYS A C 1 5: ATOM 754 O O . CYS A 1 95 ? 9.014 18.215 27.723 1.00 12.29 ? 95 CYS A O 1 5: ATOM 755 C CB . CYS A 1 95 ? 10.229 19.679 30.059 1.00 8.79 ? 95 CYS A CB 1 5: ATOM 756 S SG . CYS A 1 95 ? 9.620 21.322 29.690 1.00 10.97 ? 95 CYS A SG 1 5: ATOM 757 N N . GLU A 1 96 ? 7.149 18.902 28.791 1.00 10.87 ? 96 GLU A N 1 5: ATOM 758 C CA . GLU A 1 96 ? 6.342 18.962 27.587 1.00 14.78 ? 96 GLU A CA 1 5: ATOM 759 C C . GLU A 1 96 ? 6.267 20.439 27.182 1.00 13.83 ? 96 GLU A C 1 5: ATOM 760 O O . GLU A 1 96 ? 6.044 21.311 28.030 1.00 12.79 ? 96 GLU A O 1 5: ATOM 761 C CB . GLU A 1 96 ? 4.957 18.397 27.885 1.00 20.21 ? 96 GLU A CB 1 5: ATOM 762 C CG . GLU A 1 96 ? 3.981 18.432 26.726 1.00 32.46 ? 96 GLU A CG 1 5: ATOM 763 C CD . GLU A 1 96 ? 2.646 17.765 27.065 1.00 38.97 ? 96 GLU A CD 1 5: ATOM 764 O OE1 . GLU A 1 96 ? 2.053 18.108 28.128 1.00 42.61 ? 96 GLU A OE1 1 5: ATOM 765 O OE2 . GLU A 1 96 ? 2.201 16.892 26.271 1.00 42.17 ? 96 GLU A OE2 1 5: ATOM 766 N N . GLN A 1 97 ? 6.513 20.725 25.903 1.00 13.39 ? 97 GLN A N 1 5: ATOM 767 C CA . GLN A 1 97 ? 6.489 22.100 25.402 1.00 13.55 ? 97 GLN A CA 1 5: ATOM 768 C C . GLN A 1 97 ? 5.357 22.334 24.400 1.00 15.88 ? 97 GLN A C 1 5: ATOM 769 O O . GLN A 1 97 ? 5.013 21.455 23.591 1.00 16.25 ? 97 GLN A O 1 5: ATOM 770 C CB . GLN A 1 97 ? 7.823 22.465 24.747 1.00 12.20 ? 97 GLN A CB 1 5: ATOM 771 C CG . GLN A 1 97 ? 9.033 22.324 25.650 1.00 12.55 ? 97 GLN A CG 1 5: ATOM 772 C CD . GLN A 1 97 ? 10.321 22.613 24.927 1.00 14.20 ? 97 GLN A CD 1 5: ATOM 773 O OE1 . GLN A 1 97 ? 10.478 22.288 23.749 1.00 12.94 ? 97 GLN A OE1 1 5: ATOM 774 N NE2 . GLN A 1 97 ? 11.260 23.235 25.627 1.00 14.75 ? 97 GLN A NE2 1 5: ATOM 775 N N . LYS A 1 98 ? 4.801 23.541 24.450 1.00 17.30 ? 98 LYS A N 1 5: ATOM 776 C CA . LYS A 1 98 ? 3.696 23.952 23.582 1.00 19.78 ? 98 LYS A CA 1 5: ATOM 777 C C . LYS A 1 98 ? 3.990 25.340 23.019 1.00 18.56 ? 98 LYS A C 1 5: ATOM 778 O O . LYS A 1 98 ? 4.162 26.293 23.771 1.00 17.70 ? 98 LYS A O 1 5: ATOM 779 C CB . LYS A 1 98 ? 2.389 23.953 24.389 1.00 23.30 ? 98 LYS A CB 1 5: ATOM 780 C CG . LYS A 1 98 ? 1.294 24.857 23.867 1.00 30.94 ? 98 LYS A CG 1 5: ATOM 781 C CD . LYS A 1 98 ? 0.210 25.047 24.934 1.00 37.10 ? 98 LYS A CD 1 5: ATOM 782 C CE . LYS A 1 98 ? -0.849 26.072 24.520 1.00 39.73 ? 98 LYS A CE 1 5: ATOM 783 N NZ . LYS A 1 98 ? -0.326 27.476 24.541 1.00 42.46 ? 98 LYS A NZ 1 5: ATOM 784 N N . LEU A 1 99 ? 4.073 25.445 21.696 1.00 19.35 ? 99 LEU A N 1 5: ATOM 785 C CA . LEU A 1 99 ? 4.357 26.721 21.041 1.00 21.32 ? 99 LEU A CA 1 5: ATOM 786 C C . LEU A 1 99 ? 3.307 27.770 21.351 1.00 22.86 ? 99 LEU A C 1 5: ATOM 787 O O . LEU A 1 99 ? 2.108 27.496 21.261 1.00 23.41 ? 99 LEU A O 1 5: ATOM 788 C CB . LEU A 1 99 ? 4.466 26.542 19.526 1.00 22.09 ? 99 LEU A CB 1 5: ATOM 789 C CG . LEU A 1 99 ? 5.692 25.792 18.997 1.00 22.72 ? 99 LEU A CG 1 5: ATOM 790 C CD1 . LEU A 1 99 ? 5.585 25.639 17.490 1.00 23.04 ? 99 LEU A CD1 1 5: ATOM 791 C CD2 . LEU A 1 99 ? 6.951 26.548 19.372 1.00 23.61 ? 99 LEU A CD2 1 5: ATOM 792 N N . LEU A 1 100 ? 3.767 28.962 21.722 1.00 24.11 ? 100 LEU A N 1 5: ATOM 793 C CA . LEU A 1 100 ? 2.879 30.070 22.051 1.00 27.59 ? 100 LEU A CA 1 5: ATOM 794 C C . LEU A 1 100 ? 2.130 30.545 20.815 1.00 30.94 ? 100 LEU A C 1 5: ATOM 795 O O . LEU A 1 100 ? 0.951 30.908 20.877 1.00 31.34 ? 100 LEU A O 1 5: ATOM 796 C CB . LEU A 1 100 ? 3.680 31.227 22.640 1.00 25.50 ? 100 LEU A CB 1 5: ATOM 797 C CG . LEU A 1 100 ? 4.254 30.947 24.020 1.00 24.80 ? 100 LEU A CG 1 5: ATOM 798 C CD1 . LEU A 1 100 ? 4.960 32.171 24.542 1.00 26.59 ? 100 LEU A CD1 1 5: ATOM 799 C CD2 . LEU A 1 100 ? 3.141 30.554 24.935 1.00 24.80 ? 100 LEU A CD2 1 5: ATOM 800 N N . LYS A 1 101 ? 2.835 30.531 19.689 1.00 34.60 ? 101 LYS A N 1 5: ATOM 801 C CA . LYS A 1 101 ? 2.282 30.961 18.413 1.00 37.81 ? 101 LYS A CA 1 5: ATOM 802 C C . LYS A 1 101 ? 2.847 30.088 17.292 1.00 37.39 ? 101 LYS A C 1 5: ATOM 803 O O . LYS A 1 101 ? 4.019 29.687 17.319 1.00 37.22 ? 101 LYS A O 1 5: ATOM 804 C CB . LYS A 1 101 ? 2.653 32.429 18.147 1.00 40.57 ? 101 LYS A CB 1 5: ATOM 805 C CG . LYS A 1 101 ? 2.182 33.426 19.212 1.00 45.13 ? 101 LYS A CG 1 5: ATOM 806 C CD . LYS A 1 101 ? 2.955 34.741 19.125 1.00 48.57 ? 101 LYS A CD 1 5: ATOM 807 C CE . LYS A 1 101 ? 4.479 34.527 19.248 1.00 51.31 ? 101 LYS A CE 1 5: ATOM 808 N NZ . LYS A 1 101 ? 4.917 33.952 20.559 1.00 51.14 ? 101 LYS A NZ 1 5: ATOM 809 N N . GLY A 1 102 ? 1.997 29.786 16.318 1.00 37.21 ? 102 GLY A N 1 5: ATOM 810 C CA . GLY A 1 102 ? 2.423 28.993 15.184 1.00 36.82 ? 102 GLY A CA 1 5: ATOM 811 C C . GLY A 1 102 ? 2.333 27.494 15.344 1.00 36.36 ? 102 GLY A C 1 5: ATOM 812 O O . GLY A 1 102 ? 1.690 26.977 16.265 1.00 35.74 ? 102 GLY A O 1 5: ATOM 813 N N . GLU A 1 103 ? 2.954 26.803 14.395 1.00 35.74 ? 103 GLU A N 1 5: ATOM 814 C CA . GLU A 1 103 ? 2.988 25.348 14.377 1.00 35.50 ? 103 GLU A CA 1 5: ATOM 815 C C . GLU A 1 103 ? 4.418 24.880 14.140 1.00 31.92 ? 103 GLU A C 1 5: ATOM 816 O O . GLU A 1 103 ? 5.281 25.654 13.723 1.00 31.61 ? 103 GLU A O 1 5: ATOM 817 C CB . GLU A 1 103 ? 2.077 24.784 13.274 1.00 39.37 ? 103 GLU A CB 1 5: ATOM 818 C CG . GLU A 1 103 ? 0.652 24.422 13.712 1.00 45.52 ? 103 GLU A CG 1 5: ATOM 819 C CD . GLU A 1 103 ? -0.383 25.503 13.395 1.00 50.23 ? 103 GLU A CD 1 5: ATOM 820 O OE1 . GLU A 1 103 ? -0.130 26.346 12.499 1.00 53.12 ? 103 GLU A OE1 1 5: ATOM 821 O OE2 . GLU A 1 103 ? -1.464 25.500 14.036 1.00 52.16 ? 103 GLU A OE2 1 5: ATOM 822 N N . GLY A 1 104 ? 4.653 23.604 14.414 1.00 28.97 ? 104 GLY A N 1 5: ATOM 823 C CA . GLY A 1 104 ? 5.967 23.024 14.231 1.00 25.41 ? 104 GLY A CA 1 5: ATOM 824 C C . GLY A 1 104 ? 6.012 21.648 14.863 1.00 22.09 ? 104 GLY A C 1 5: ATOM 825 O O . GLY A 1 104 ? 4.987 21.160 15.347 1.00 21.89 ? 104 GLY A O 1 5: ATOM 826 N N . PRO A 1 105 ? 7.176 20.976 14.832 1.00 19.50 ? 105 PRO A N 1 5: ATOM 827 C CA . PRO A 1 105 ? 7.338 19.640 15.418 1.00 17.92 ? 105 PRO A CA 1 5: ATOM 828 C C . PRO A 1 105 ? 7.020 19.664 16.914 1.00 15.61 ? 105 PRO A C 1 5: ATOM 829 O O . PRO A 1 105 ? 7.170 20.696 17.567 1.00 14.42 ? 105 PRO A O 1 5: ATOM 830 C CB . PRO A 1 105 ? 8.828 19.348 15.202 1.00 18.86 ? 105 PRO A CB 1 5: ATOM 831 C CG . PRO A 1 105 ? 9.188 20.164 14.005 1.00 18.76 ? 105 PRO A CG 1 5: ATOM 832 C CD . PRO A 1 105 ? 8.423 21.440 14.199 1.00 18.40 ? 105 PRO A CD 1 5: ATOM 833 N N . LYS A 1 106 ? 6.552 18.541 17.444 1.00 16.02 ? 106 LYS A N 1 5: ATOM 834 C CA . LYS A 1 106 ? 6.255 18.453 18.868 1.00 16.93 ? 106 LYS A CA 1 5: ATOM 835 C C . LYS A 1 106 ? 7.609 18.305 19.554 1.00 15.49 ? 106 LYS A C 1 5: ATOM 836 O O . LYS A 1 106 ? 8.397 17.437 19.183 1.00 14.76 ? 106 LYS A O 1 5: ATOM 837 C CB . LYS A 1 106 ? 5.387 17.229 19.174 1.00 20.98 ? 106 LYS A CB 1 5: ATOM 838 C CG . LYS A 1 106 ? 5.015 17.097 20.662 1.00 27.98 ? 106 LYS A CG 1 5: ATOM 839 C CD . LYS A 1 106 ? 4.463 18.433 21.229 1.00 33.23 ? 106 LYS A CD 1 5: ATOM 840 C CE . LYS A 1 106 ? 4.250 18.417 22.764 1.00 35.21 ? 106 LYS A CE 1 5: ATOM 841 N NZ . LYS A 1 106 ? 5.519 18.251 23.566 1.00 33.75 ? 106 LYS A NZ 1 5: ATOM 842 N N . THR A 1 107 ? 7.907 19.167 20.515 1.00 13.91 ? 107 THR A N 1 5: ATOM 843 C CA . THR A 1 107 ? 9.203 19.086 21.190 1.00 12.14 ? 107 THR A CA 1 5: ATOM 844 C C . THR A 1 107 ? 9.083 18.819 22.681 1.00 11.66 ? 107 THR A C 1 5: ATOM 845 O O . THR A 1 107 ? 8.061 19.120 23.295 1.00 10.59 ? 107 THR A O 1 5: ATOM 846 C CB . THR A 1 107 ? 10.012 20.382 21.016 1.00 12.37 ? 107 THR A CB 1 5: ATOM 847 O OG1 . THR A 1 107 ? 9.263 21.480 21.547 1.00 12.36 ? 107 THR A OG1 1 5: ATOM 848 C CG2 . THR A 1 107 ? 10.327 20.643 19.544 1.00 12.62 ? 107 THR A CG2 1 5: ATOM 849 N N . SER A 1 108 ? 10.140 18.249 23.250 1.00 10.16 ? 108 SER A N 1 5: ATOM 850 C CA . SER A 1 108 ? 10.192 17.975 24.681 1.00 9.98 ? 108 SER A CA 1 5: ATOM 851 C C . SER A 1 108 ? 11.649 17.774 25.081 1.00 9.90 ? 108 SER A C 1 5: ATOM 852 O O . SER A 1 108 ? 12.549 17.774 24.227 1.00 8.48 ? 108 SER A O 1 5: ATOM 853 C CB . SER A 1 108 ? 9.370 16.729 25.024 1.00 9.84 ? 108 SER A CB 1 5: ATOM 854 O OG . SER A 1 108 ? 9.844 15.601 24.313 1.00 13.87 ? 108 SER A OG 1 5: ATOM 855 N N . TRP A 1 109 ? 11.890 17.708 26.386 1.00 7.96 ? 109 TRP A N 1 5: ATOM 856 C CA . TRP A 1 109 ? 13.233 17.446 26.894 1.00 7.85 ? 109 TRP A CA 1 5: ATOM 857 C C . TRP A 1 109 ? 13.109 16.693 28.209 1.00 7.56 ? 109 TRP A C 1 5: ATOM 858 O O . TRP A 1 109 ? 12.053 16.728 28.837 1.00 8.14 ? 109 TRP A O 1 5: ATOM 859 C CB . TRP A 1 109 ? 14.094 18.722 27.051 1.00 8.25 ? 109 TRP A CB 1 5: ATOM 860 C CG . TRP A 1 109 ? 13.627 19.829 28.007 1.00 8.07 ? 109 TRP A CG 1 5: ATOM 861 C CD1 . TRP A 1 109 ? 13.120 21.046 27.648 1.00 9.28 ? 109 TRP A CD1 1 5: ATOM 862 C CD2 . TRP A 1 109 ? 13.745 19.865 29.450 1.00 9.31 ? 109 TRP A CD2 1 5: ATOM 863 N NE1 . TRP A 1 109 ? 12.929 21.836 28.760 1.00 9.69 ? 109 TRP A NE1 1 5: ATOM 864 C CE2 . TRP A 1 109 ? 13.306 21.136 29.878 1.00 9.04 ? 109 TRP A CE2 1 5: ATOM 865 C CE3 . TRP A 1 109 ? 14.186 18.939 30.416 1.00 9.92 ? 109 TRP A CE3 1 5: ATOM 866 C CZ2 . TRP A 1 109 ? 13.286 21.515 31.228 1.00 9.72 ? 109 TRP A CZ2 1 5: ATOM 867 C CZ3 . TRP A 1 109 ? 14.163 19.316 31.758 1.00 10.25 ? 109 TRP A CZ3 1 5: ATOM 868 C CH2 . TRP A 1 109 ? 13.717 20.593 32.149 1.00 10.11 ? 109 TRP A CH2 1 5: ATOM 869 N N . THR A 1 110 ? 14.136 15.924 28.549 1.00 7.39 ? 110 THR A N 1 5: ATOM 870 C CA . THR A 1 110 ? 14.168 15.176 29.808 1.00 6.23 ? 110 THR A CA 1 5: ATOM 871 C C . THR A 1 110 ? 15.577 15.334 30.395 1.00 7.40 ? 110 THR A C 1 5: ATOM 872 O O . THR A 1 110 ? 16.558 15.563 29.652 1.00 6.43 ? 110 THR A O 1 5: ATOM 873 C CB . THR A 1 110 ? 13.887 13.633 29.626 1.00 7.17 ? 110 THR A CB 1 5: ATOM 874 O OG1 . THR A 1 110 ? 15.000 13.002 28.973 1.00 7.49 ? 110 THR A OG1 1 5: ATOM 875 C CG2 . THR A 1 110 ? 12.616 13.377 28.803 1.00 6.64 ? 110 THR A CG2 1 5: ATOM 876 N N . ARG A 1 111 ? 15.669 15.293 31.727 1.00 6.72 ? 111 ARG A N 1 5: ATOM 877 C CA . ARG A 1 111 ? 16.966 15.356 32.425 1.00 6.27 ? 111 ARG A CA 1 5: ATOM 878 C C . ARG A 1 111 ? 16.924 14.287 33.483 1.00 7.89 ? 111 ARG A C 1 5: ATOM 879 O O . ARG A 1 111 ? 15.928 14.156 34.193 1.00 8.35 ? 111 ARG A O 1 5: ATOM 880 C CB . ARG A 1 111 ? 17.240 16.722 33.068 1.00 6.20 ? 111 ARG A CB 1 5: ATOM 881 C CG . ARG A 1 111 ? 17.703 17.765 32.060 1.00 7.38 ? 111 ARG A CG 1 5: ATOM 882 C CD . ARG A 1 111 ? 18.100 19.072 32.727 1.00 8.70 ? 111 ARG A CD 1 5: ATOM 883 N NE . ARG A 1 111 ? 18.783 19.965 31.784 1.00 9.83 ? 111 ARG A NE 1 5: ATOM 884 C CZ . ARG A 1 111 ? 18.158 20.804 30.963 1.00 10.23 ? 111 ARG A CZ 1 5: ATOM 885 N NH1 . ARG A 1 111 ? 16.840 20.869 30.966 1.00 10.89 ? 111 ARG A NH1 1 5: ATOM 886 N NH2 . ARG A 1 111 ? 18.847 21.590 30.144 1.00 11.56 ? 111 ARG A NH2 1 5: ATOM 887 N N . GLU A 1 112 ? 17.957 13.464 33.534 1.00 7.64 ? 112 GLU A N 1 5: ATOM 888 C CA . GLU A 1 112 ? 17.977 12.402 34.527 1.00 10.31 ? 112 GLU A CA 1 5: ATOM 889 C C . GLU A 1 112 ? 19.356 12.142 35.113 1.00 9.93 ? 112 GLU A C 1 5: ATOM 890 O O . GLU A 1 112 ? 20.367 12.273 34.425 1.00 7.92 ? 112 GLU A O 1 5: ATOM 891 C CB . GLU A 1 112 ? 17.401 11.118 33.940 1.00 14.05 ? 112 GLU A CB 1 5: ATOM 892 C CG . GLU A 1 112 ? 18.213 10.489 32.836 1.00 20.37 ? 112 GLU A CG 1 5: ATOM 893 C CD . GLU A 1 112 ? 17.484 9.325 32.177 1.00 25.09 ? 112 GLU A CD 1 5: ATOM 894 O OE1 . GLU A 1 112 ? 17.223 8.308 32.883 1.00 22.36 ? 112 GLU A OE1 1 5: ATOM 895 O OE2 . GLU A 1 112 ? 17.175 9.443 30.955 1.00 25.10 ? 112 GLU A OE2 1 5: ATOM 896 N N . LEU A 1 113 ? 19.387 11.816 36.401 1.00 8.96 ? 113 LEU A N 1 5: ATOM 897 C CA . LEU A 1 113 ? 20.634 11.503 37.091 1.00 12.04 ? 113 LEU A CA 1 5: ATOM 898 C C . LEU A 1 113 ? 20.789 9.991 37.081 1.00 12.06 ? 113 LEU A C 1 5: ATOM 899 O O . LEU A 1 113 ? 19.906 9.270 37.559 1.00 12.08 ? 113 LEU A O 1 5: ATOM 900 C CB . LEU A 1 113 ? 20.575 11.983 38.532 1.00 14.38 ? 113 LEU A CB 1 5: ATOM 901 C CG . LEU A 1 113 ? 20.768 13.465 38.799 1.00 17.46 ? 113 LEU A CG 1 5: ATOM 902 C CD1 . LEU A 1 113 ? 20.709 13.656 40.298 1.00 19.61 ? 113 LEU A CD1 1 5: ATOM 903 C CD2 . LEU A 1 113 ? 22.128 13.945 38.266 1.00 18.46 ? 113 LEU A CD2 1 5: ATOM 904 N N . THR A 1 114 ? 21.895 9.502 36.535 1.00 11.06 ? 114 THR A N 1 5: ATOM 905 C CA . THR A 1 114 ? 22.110 8.062 36.452 1.00 11.74 ? 114 THR A CA 1 5: ATOM 906 C C . THR A 1 114 ? 22.816 7.522 37.686 1.00 11.41 ? 114 THR A C 1 5: ATOM 907 O O . THR A 1 114 ? 23.327 8.282 38.501 1.00 11.47 ? 114 THR A O 1 5: ATOM 908 C CB . THR A 1 114 ? 22.894 7.700 35.188 1.00 12.89 ? 114 THR A CB 1 5: ATOM 909 O OG1 . THR A 1 114 ? 24.109 8.451 35.164 1.00 15.50 ? 114 THR A OG1 1 5: ATOM 910 C CG2 . THR A 1 114 ? 22.075 8.037 33.951 1.00 14.75 ? 114 THR A CG2 1 5: ATOM 911 N N . ASN A 1 115 ? 22.834 6.202 37.808 1.00 13.23 ? 115 ASN A N 1 5: ATOM 912 C CA . ASN A 1 115 ? 23.441 5.538 38.951 1.00 16.19 ? 115 ASN A CA 1 5: ATOM 913 C C . ASN A 1 115 ? 24.930 5.761 39.139 1.00 14.24 ? 115 ASN A C 1 5: ATOM 914 O O . ASN A 1 115 ? 25.432 5.626 40.256 1.00 14.74 ? 115 ASN A O 1 5: ATOM 915 C CB . ASN A 1 115 ? 23.123 4.047 38.918 1.00 21.89 ? 115 ASN A CB 1 5: ATOM 916 C CG . ASN A 1 115 ? 21.703 3.754 39.357 1.00 29.77 ? 115 ASN A CG 1 5: ATOM 917 O OD1 . ASN A 1 115 ? 20.955 3.046 38.669 1.00 34.83 ? 115 ASN A OD1 1 5: ATOM 918 N ND2 . ASN A 1 115 ? 21.313 4.310 40.516 1.00 32.90 ? 115 ASN A ND2 1 5: ATOM 919 N N . ASP A 1 116 ? 25.626 6.095 38.055 1.00 12.05 ? 116 ASP A N 1 5: ATOM 920 C CA . ASP A 1 116 ? 27.061 6.364 38.094 1.00 11.99 ? 116 ASP A CA 1 5: ATOM 921 C C . ASP A 1 116 ? 27.424 7.821 38.397 1.00 11.45 ? 116 ASP A C 1 5: ATOM 922 O O . ASP A 1 116 ? 28.592 8.184 38.393 1.00 12.23 ? 116 ASP A O 1 5: ATOM 923 C CB . ASP A 1 116 ? 27.764 5.875 36.806 1.00 13.89 ? 116 ASP A CB 1 5: ATOM 924 C CG . ASP A 1 116 ? 27.177 6.474 35.512 1.00 16.58 ? 116 ASP A CG 1 5: ATOM 925 O OD1 . ASP A 1 116 ? 26.263 7.303 35.569 1.00 19.66 ? 116 ASP A OD1 1 5: ATOM 926 O OD2 . ASP A 1 116 ? 27.651 6.113 34.422 1.00 20.14 ? 116 ASP A OD2 1 5: ATOM 927 N N . GLY A 1 117 ? 26.420 8.647 38.675 1.00 10.58 ? 117 GLY A N 1 5: ATOM 928 C CA . GLY A 1 117 ? 26.669 10.042 38.997 1.00 9.83 ? 117 GLY A CA 1 5: ATOM 929 C C . GLY A 1 117 ? 26.652 11.019 37.831 1.00 9.97 ? 117 GLY A C 1 5: ATOM 930 O O . GLY A 1 117 ? 26.945 12.192 38.019 1.00 10.45 ? 117 GLY A O 1 5: ATOM 931 N N . GLU A 1 118 ? 26.289 10.550 36.638 1.00 9.43 ? 118 GLU A N 1 5: ATOM 932 C CA . GLU A 1 118 ? 26.242 11.413 35.458 1.00 7.79 ? 118 GLU A CA 1 5: ATOM 933 C C . GLU A 1 118 ? 24.834 11.955 35.213 1.00 7.60 ? 118 GLU A C 1 5: ATOM 934 O O . GLU A 1 118 ? 23.872 11.565 35.885 1.00 8.05 ? 118 GLU A O 1 5: ATOM 935 C CB . GLU A 1 118 ? 26.776 10.653 34.241 1.00 8.86 ? 118 GLU A CB 1 5: ATOM 936 C CG . GLU A 1 118 ? 28.227 10.234 34.427 1.00 9.64 ? 118 GLU A CG 1 5: ATOM 937 C CD . GLU A 1 118 ? 28.770 9.370 33.310 1.00 13.39 ? 118 GLU A CD 1 5: ATOM 938 O OE1 . GLU A 1 118 ? 28.036 9.043 32.355 1.00 11.90 ? 118 GLU A OE1 1 5: ATOM 939 O OE2 . GLU A 1 118 ? 29.956 8.998 33.405 1.00 16.59 ? 118 GLU A OE2 1 5: ATOM 940 N N . LEU A 1 119 ? 24.732 12.884 34.269 1.00 7.57 ? 119 LEU A N 1 5: ATOM 941 C CA . LEU A 1 119 ? 23.467 13.513 33.917 1.00 6.94 ? 119 LEU A CA 1 5: ATOM 942 C C . LEU A 1 119 ? 23.189 13.277 32.431 1.00 8.29 ? 119 LEU A C 1 5: ATOM 943 O O . LEU A 1 119 ? 24.070 13.506 31.593 1.00 8.23 ? 119 LEU A O 1 5: ATOM 944 C CB . LEU A 1 119 ? 23.556 15.023 34.184 1.00 7.83 ? 119 LEU A CB 1 5: ATOM 945 C CG . LEU A 1 119 ? 22.417 15.972 33.810 1.00 9.54 ? 119 LEU A CG 1 5: ATOM 946 C CD1 . LEU A 1 119 ? 21.213 15.661 34.618 1.00 11.05 ? 119 LEU A CD1 1 5: ATOM 947 C CD2 . LEU A 1 119 ? 22.822 17.421 34.066 1.00 12.54 ? 119 LEU A CD2 1 5: ATOM 948 N N . ILE A 1 120 ? 22.010 12.743 32.119 1.00 6.17 ? 120 ILE A N 1 5: ATOM 949 C CA . ILE A 1 120 ? 21.638 12.529 30.730 1.00 6.22 ? 120 ILE A CA 1 5: ATOM 950 C C . ILE A 1 120 ? 20.527 13.511 30.354 1.00 7.47 ? 120 ILE A C 1 5: ATOM 951 O O . ILE A 1 120 ? 19.493 13.580 31.036 1.00 6.54 ? 120 ILE A O 1 5: ATOM 952 C CB . ILE A 1 120 ? 21.103 11.118 30.485 1.00 7.19 ? 120 ILE A CB 1 5: ATOM 953 C CG1 . ILE A 1 120 ? 22.171 10.070 30.801 1.00 8.26 ? 120 ILE A CG1 1 5: ATOM 954 C CG2 . ILE A 1 120 ? 20.556 11.003 29.047 1.00 6.54 ? 120 ILE A CG2 1 5: ATOM 955 C CD1 . ILE A 1 120 ? 21.668 8.658 30.600 1.00 9.35 ? 120 ILE A CD1 1 5: ATOM 956 N N . LEU A 1 121 ? 20.771 14.301 29.306 1.00 6.41 ? 121 LEU A N 1 5: ATOM 957 C CA . LEU A 1 121 ? 19.783 15.236 28.779 1.00 6.25 ? 121 LEU A CA 1 5: ATOM 958 C C . LEU A 1 121 ? 19.299 14.693 27.426 1.00 7.41 ? 121 LEU A C 1 5: ATOM 959 O O . LEU A 1 121 ? 20.115 14.242 26.619 1.00 6.01 ? 121 LEU A O 1 5: ATOM 960 C CB . LEU A 1 121 ? 20.400 16.624 28.526 1.00 7.37 ? 121 LEU A CB 1 5: ATOM 961 C CG . LEU A 1 121 ? 19.607 17.580 27.597 1.00 7.96 ? 121 LEU A CG 1 5: ATOM 962 C CD1 . LEU A 1 121 ? 18.340 18.117 28.290 1.00 7.91 ? 121 LEU A CD1 1 5: ATOM 963 C CD2 . LEU A 1 121 ? 20.501 18.739 27.151 1.00 7.96 ? 121 LEU A CD2 1 5: ATOM 964 N N . THR A 1 122 ? 17.988 14.607 27.222 1.00 6.71 ? 122 THR A N 1 5: ATOM 965 C CA . THR A 1 122 ? 17.514 14.205 25.898 1.00 7.80 ? 122 THR A CA 1 5: ATOM 966 C C . THR A 1 122 ? 16.633 15.334 25.402 1.00 8.58 ? 122 THR A C 1 5: ATOM 967 O O . THR A 1 122 ? 15.988 16.034 26.194 1.00 7.21 ? 122 THR A O 1 5: ATOM 968 C CB . THR A 1 122 ? 16.754 12.843 25.832 1.00 7.51 ? 122 THR A CB 1 5: ATOM 969 O OG1 . THR A 1 122 ? 15.422 12.992 26.313 1.00 9.27 ? 122 THR A OG1 1 5: ATOM 970 C CG2 . THR A 1 122 ? 17.484 11.759 26.622 1.00 7.86 ? 122 THR A CG2 1 5: ATOM 971 N N . MET A 1 123 ? 16.732 15.613 24.110 1.00 7.87 ? 123 MET A N 1 5: ATOM 972 C CA . MET A 1 123 ? 15.904 16.643 23.494 1.00 9.22 ? 123 MET A CA 1 5: ATOM 973 C C . MET A 1 123 ? 15.194 15.950 22.337 1.00 8.66 ? 123 MET A C 1 5: ATOM 974 O O . MET A 1 123 ? 15.828 15.189 21.601 1.00 8.09 ? 123 MET A O 1 5: ATOM 975 C CB . MET A 1 123 ? 16.760 17.818 23.019 1.00 9.37 ? 123 MET A CB 1 5: ATOM 976 C CG . MET A 1 123 ? 17.359 18.612 24.171 1.00 11.81 ? 123 MET A CG 1 5: ATOM 977 S SD . MET A 1 123 ? 18.325 20.048 23.658 1.00 16.59 ? 123 MET A SD 1 5: ATOM 978 C CE . MET A 1 123 ? 19.871 19.278 23.173 1.00 14.10 ? 123 MET A CE 1 5: ATOM 979 N N . THR A 1 124 ? 13.895 16.195 22.186 1.00 7.20 ? 124 THR A N 1 5: ATOM 980 C CA . THR A 1 124 ? 13.133 15.534 21.134 1.00 9.54 ? 124 THR A CA 1 5: ATOM 981 C C . THR A 1 124 ? 12.407 16.513 20.222 1.00 10.12 ? 124 THR A C 1 5: ATOM 982 O O . THR A 1 124 ? 11.941 17.563 20.665 1.00 9.54 ? 124 THR A O 1 5: ATOM 983 C CB . THR A 1 124 ? 12.073 14.552 21.756 1.00 10.74 ? 124 THR A CB 1 5: ATOM 984 O OG1 . THR A 1 124 ? 12.740 13.544 22.535 1.00 11.99 ? 124 THR A OG1 1 8: Randomness seeded to: 3739808584 8: =============================================================================== 8: All tests passed (15 assertions in 1 test case) 8: 5: ATOM 985 C CG2 . THR A 1 124 ? 11.247 13.865 20.679 1.00 11.66 ? 124 THR A CG2 1 5: ATOM 986 N N . ALA A 1 125 ? 12.346 16.167 18.935 1.00 11.06 ? 125 ALA A N 1 5: ATOM 987 C CA . ALA A 1 125 ? 11.634 16.962 17.923 1.00 11.63 ? 125 ALA A CA 1 5: ATOM 988 C C . ALA A 1 125 ? 10.981 15.878 17.078 1.00 13.46 ? 125 ALA A C 1 5: ATOM 989 O O . ALA A 1 125 ? 11.669 15.144 16.352 1.00 13.11 ? 125 ALA A O 1 5: ATOM 990 C CB . ALA A 1 125 ? 12.603 17.786 17.091 1.00 13.16 ? 125 ALA A CB 1 5: ATOM 991 N N . ASP A 1 126 ? 9.664 15.754 17.216 1.00 14.63 ? 126 ASP A N 1 5: ATOM 992 C CA . ASP A 1 126 ? 8.901 14.721 16.536 1.00 17.86 ? 126 ASP A CA 1 5: ATOM 993 C C . ASP A 1 126 ? 9.512 13.364 16.905 1.00 18.66 ? 126 ASP A C 1 5: ATOM 994 O O . ASP A 1 126 ? 9.519 13.006 18.080 1.00 19.38 ? 126 ASP A O 1 5: ATOM 995 C CB . ASP A 1 126 ? 8.835 14.982 15.023 1.00 18.40 ? 126 ASP A CB 1 5: ATOM 996 C CG . ASP A 1 126 ? 7.786 16.032 14.660 1.00 22.34 ? 126 ASP A CG 1 5: ATOM 997 O OD1 . ASP A 1 126 ? 6.800 16.198 15.422 1.00 23.23 ? 126 ASP A OD1 1 5: ATOM 998 O OD2 . ASP A 1 126 ? 7.940 16.702 13.621 1.00 24.32 ? 126 ASP A OD2 1 5: ATOM 999 N N . ASP A 1 127 ? 10.064 12.629 15.945 1.00 20.19 ? 127 ASP A N 1 5: ATOM 1000 C CA . ASP A 1 127 ? 10.656 11.333 16.271 1.00 21.56 ? 127 ASP A CA 1 5: ATOM 1001 C C . ASP A 1 127 ? 12.175 11.279 16.416 1.00 18.85 ? 127 ASP A C 1 5: ATOM 1002 O O . ASP A 1 127 ? 12.732 10.219 16.657 1.00 20.67 ? 127 ASP A O 1 5: ATOM 1003 C CB . ASP A 1 127 ? 10.178 10.263 15.303 1.00 26.47 ? 127 ASP A CB 1 5: ATOM 1004 C CG . ASP A 1 127 ? 9.043 9.450 15.880 1.00 33.21 ? 127 ASP A CG 1 5: ATOM 1005 O OD1 . ASP A 1 127 ? 7.892 9.959 15.934 1.00 36.08 ? 127 ASP A OD1 1 5: ATOM 1006 O OD2 . ASP A 1 127 ? 9.318 8.308 16.318 1.00 38.35 ? 127 ASP A OD2 1 5: ATOM 1007 N N . VAL A 1 128 ? 12.836 12.418 16.281 1.00 15.22 ? 128 VAL A N 1 5: ATOM 1008 C CA . VAL A 1 128 ? 14.286 12.486 16.407 1.00 12.83 ? 128 VAL A CA 1 5: ATOM 1009 C C . VAL A 1 128 ? 14.681 12.843 17.835 1.00 11.58 ? 128 VAL A C 1 5: ATOM 1010 O O . VAL A 1 128 ? 14.176 13.811 18.408 1.00 9.74 ? 128 VAL A O 1 5: ATOM 1011 C CB . VAL A 1 128 ? 14.864 13.503 15.423 1.00 12.79 ? 128 VAL A CB 1 5: ATOM 1012 C CG1 . VAL A 1 128 ? 16.338 13.757 15.706 1.00 12.93 ? 128 VAL A CG1 1 5: ATOM 1013 C CG2 . VAL A 1 128 ? 14.677 12.968 14.005 1.00 14.30 ? 128 VAL A CG2 1 5: ATOM 1014 N N . VAL A 1 129 ? 15.586 12.051 18.397 1.00 9.29 ? 129 VAL A N 1 5: ATOM 1015 C CA . VAL A 1 129 ? 16.054 12.257 19.761 1.00 7.95 ? 129 VAL A CA 1 5: ATOM 1016 C C . VAL A 1 129 ? 17.558 12.546 19.842 1.00 7.49 ? 129 VAL A C 1 5: ATOM 1017 O O . VAL A 1 129 ? 18.374 11.816 19.276 1.00 8.73 ? 129 VAL A O 1 5: ATOM 1018 C CB . VAL A 1 129 ? 15.764 11.007 20.617 1.00 9.43 ? 129 VAL A CB 1 5: ATOM 1019 C CG1 . VAL A 1 129 ? 16.153 11.253 22.076 1.00 9.09 ? 129 VAL A CG1 1 5: ATOM 1020 C CG2 . VAL A 1 129 ? 14.293 10.610 20.495 1.00 9.45 ? 129 VAL A CG2 1 5: ATOM 1021 N N . CYS A 1 130 ? 17.912 13.630 20.534 1.00 7.54 ? 130 CYS A N 1 5: ATOM 1022 C CA . CYS A 1 130 ? 19.305 14.010 20.756 1.00 6.47 ? 130 CYS A CA 1 5: ATOM 1023 C C . CYS A 1 130 ? 19.670 13.627 22.200 1.00 6.61 ? 130 CYS A C 1 5: ATOM 1024 O O . CYS A 1 130 ? 18.955 13.992 23.135 1.00 7.53 ? 130 CYS A O 1 5: ATOM 1025 C CB . CYS A 1 130 ? 19.485 15.517 20.544 1.00 6.05 ? 130 CYS A CB 1 5: ATOM 1026 S SG . CYS A 1 130 ? 21.063 16.183 21.077 1.00 8.82 ? 130 CYS A SG 1 5: ATOM 1027 N N . THR A 1 131 ? 20.786 12.925 22.372 1.00 6.58 ? 131 THR A N 1 5: ATOM 1028 C CA . THR A 1 131 ? 21.241 12.462 23.693 1.00 5.93 ? 131 THR A CA 1 5: ATOM 1029 C C . THR A 1 131 ? 22.569 13.102 24.054 1.00 6.18 ? 131 THR A C 1 5: ATOM 1030 O O . THR A 1 131 ? 23.528 13.003 23.294 1.00 5.77 ? 131 THR A O 1 5: ATOM 1031 C CB . THR A 1 131 ? 21.419 10.914 23.699 1.00 6.63 ? 131 THR A CB 1 5: ATOM 1032 O OG1 . THR A 1 131 ? 20.199 10.299 23.289 1.00 7.60 ? 131 THR A OG1 1 5: ATOM 1033 C CG2 . THR A 1 131 ? 21.763 10.399 25.091 1.00 7.76 ? 131 THR A CG2 1 5: ATOM 1034 N N . ARG A 1 132 ? 22.624 13.780 25.202 1.00 6.29 ? 132 ARG A N 1 5: ATOM 1035 C CA . ARG A 1 132 ? 23.853 14.429 25.660 1.00 7.67 ? 132 ARG A CA 1 5: ATOM 1036 C C . ARG A 1 132 ? 24.108 13.960 27.093 1.00 7.19 ? 132 ARG A C 1 5: ATOM 1037 O O . ARG A 1 132 ? 23.184 13.895 27.902 1.00 8.65 ? 132 ARG A O 1 5: ATOM 1038 C CB . ARG A 1 132 ? 23.719 15.957 25.621 1.00 9.67 ? 132 ARG A CB 1 5: ATOM 1039 C CG . ARG A 1 132 ? 22.945 16.470 24.429 1.00 15.02 ? 132 ARG A CG 1 5: ATOM 1040 C CD . ARG A 1 132 ? 23.781 17.260 23.476 1.00 16.80 ? 132 ARG A CD 1 5: ATOM 1041 N NE . ARG A 1 132 ? 24.140 18.580 23.984 1.00 12.48 ? 132 ARG A NE 1 5: ATOM 1042 C CZ . ARG A 1 132 ? 25.030 19.377 23.395 1.00 12.93 ? 132 ARG A CZ 1 5: ATOM 1043 N NH1 . ARG A 1 132 ? 25.641 19.005 22.279 1.00 13.84 ? 132 ARG A NH1 1 5: ATOM 1044 N NH2 . ARG A 1 132 ? 25.398 20.506 23.973 1.00 11.57 ? 132 ARG A NH2 1 5: ATOM 1045 N N . VAL A 1 133 ? 25.359 13.633 27.397 1.00 5.99 ? 133 VAL A N 1 5: ATOM 1046 C CA . VAL A 1 133 ? 25.739 13.124 28.719 1.00 5.92 ? 133 VAL A CA 1 5: ATOM 1047 C C . VAL A 1 133 ? 26.773 14.055 29.345 1.00 5.85 ? 133 VAL A C 1 5: ATOM 1048 O O . VAL A 1 133 ? 27.713 14.492 28.681 1.00 5.50 ? 133 VAL A O 1 5: ATOM 1049 C CB . VAL A 1 133 ? 26.333 11.698 28.608 1.00 6.37 ? 133 VAL A CB 1 5: ATOM 1050 C CG1 . VAL A 1 133 ? 26.609 11.120 29.988 1.00 7.95 ? 133 VAL A CG1 1 5: ATOM 1051 C CG2 . VAL A 1 133 ? 25.385 10.782 27.832 1.00 6.46 ? 133 VAL A CG2 1 5: ATOM 1052 N N . TYR A 1 134 ? 26.619 14.337 30.635 1.00 5.35 ? 134 TYR A N 1 5: ATOM 1053 C CA . TYR A 1 134 ? 27.538 15.228 31.322 1.00 4.57 ? 134 TYR A CA 1 5: ATOM 1054 C C . TYR A 1 134 ? 28.014 14.611 32.617 1.00 5.30 ? 134 TYR A C 1 5: ATOM 1055 O O . TYR A 1 134 ? 27.371 13.712 33.165 1.00 3.92 ? 134 TYR A O 1 5: ATOM 1056 C CB . TYR A 1 134 ? 26.846 16.550 31.686 1.00 6.84 ? 134 TYR A CB 1 5: ATOM 1057 C CG . TYR A 1 134 ? 26.118 17.251 30.574 1.00 8.89 ? 134 TYR A CG 1 5: ATOM 1058 C CD1 . TYR A 1 134 ? 24.901 16.762 30.122 1.00 10.29 ? 134 TYR A CD1 1 5: ATOM 1059 C CD2 . TYR A 1 134 ? 26.628 18.406 29.992 1.00 10.49 ? 134 TYR A CD2 1 5: ATOM 1060 C CE1 . TYR A 1 134 ? 24.212 17.386 29.133 1.00 13.03 ? 134 TYR A CE1 1 5: ATOM 1061 C CE2 . TYR A 1 134 ? 25.930 19.051 28.982 1.00 12.15 ? 134 TYR A CE2 1 5: ATOM 1062 C CZ . TYR A 1 134 ? 24.723 18.517 28.567 1.00 12.80 ? 134 TYR A CZ 1 5: ATOM 1063 O OH . TYR A 1 134 ? 23.991 19.082 27.567 1.00 18.07 ? 134 TYR A OH 1 5: ATOM 1064 N N . VAL A 1 135 ? 29.113 15.158 33.119 1.00 6.63 ? 135 VAL A N 1 5: ATOM 1065 C CA . VAL A 1 135 ? 29.697 14.762 34.394 1.00 8.42 ? 135 VAL A CA 1 5: ATOM 1066 C C . VAL A 1 135 ? 30.100 16.086 35.064 1.00 9.05 ? 135 VAL A C 1 5: ATOM 1067 O O . VAL A 1 135 ? 30.340 17.086 34.385 1.00 9.02 ? 135 VAL A O 1 5: ATOM 1068 C CB . VAL A 1 135 ? 30.925 13.815 34.204 1.00 8.05 ? 135 VAL A CB 1 5: ATOM 1069 C CG1 . VAL A 1 135 ? 32.109 14.556 33.596 1.00 9.27 ? 135 VAL A CG1 1 5: ATOM 1070 C CG2 . VAL A 1 135 ? 31.304 13.151 35.533 1.00 10.37 ? 135 VAL A CG2 1 5: ATOM 1071 N N . ARG A 1 136 ? 30.117 16.133 36.390 1.00 9.57 ? 136 ARG A N 1 5: ATOM 1072 C CA . ARG A 1 136 ? 30.498 17.375 37.040 1.00 10.86 ? 136 ARG A CA 1 5: ATOM 1073 C C . ARG A 1 136 ? 31.964 17.676 36.776 1.00 11.68 ? 136 ARG A C 1 5: ATOM 1074 O O . ARG A 1 136 ? 32.782 16.765 36.686 1.00 11.35 ? 136 ARG A O 1 5: ATOM 1075 C CB . ARG A 1 136 ? 30.221 17.319 38.536 1.00 11.99 ? 136 ARG A CB 1 5: ATOM 1076 C CG . ARG A 1 136 ? 28.746 17.454 38.885 1.00 13.89 ? 136 ARG A CG 1 5: ATOM 1077 C CD . ARG A 1 136 ? 28.576 17.533 40.382 1.00 15.85 ? 136 ARG A CD 1 5: ATOM 1078 N NE . ARG A 1 136 ? 27.185 17.407 40.754 1.00 17.08 ? 136 ARG A NE 1 5: ATOM 1079 C CZ . ARG A 1 136 ? 26.561 16.245 40.926 1.00 21.69 ? 136 ARG A CZ 1 5: ATOM 1080 N NH1 . ARG A 1 136 ? 27.217 15.102 40.754 1.00 23.26 ? 136 ARG A NH1 1 5: ATOM 1081 N NH2 . ARG A 1 136 ? 25.278 16.227 41.283 1.00 22.60 ? 136 ARG A NH2 1 5: ATOM 1082 N N . GLU A 1 137 ? 32.282 18.963 36.663 1.00 15.12 ? 137 GLU A N 1 5: ATOM 1083 C CA . GLU A 1 137 ? 33.641 19.430 36.400 1.00 18.00 ? 137 GLU A CA 1 5: ATOM 1084 C C . GLU A 1 137 ? 34.615 19.038 37.493 1.00 18.96 ? 137 GLU A C 1 5: ATOM 1085 O O . GLU A 1 137 ? 34.221 19.175 38.659 1.00 17.37 ? 137 GLU A O 1 5: ATOM 1086 C CB . GLU A 1 137 ? 33.661 20.943 36.293 1.00 19.89 ? 137 GLU A CB 1 5: ATOM 1087 C CG . GLU A 1 137 ? 33.092 21.492 35.035 1.00 28.03 ? 137 GLU A CG 1 5: ATOM 1088 C CD . GLU A 1 137 ? 33.469 22.953 34.865 1.00 33.22 ? 137 GLU A CD 1 5: ATOM 1089 O OE1 . GLU A 1 137 ? 34.630 23.217 34.473 1.00 37.31 ? 137 GLU A OE1 1 5: ATOM 1090 O OE2 . GLU A 1 137 ? 32.636 23.836 35.164 1.00 36.38 ? 137 GLU A OE2 1 5: ATOM 1091 O OXT . GLU A 1 137 ? 35.776 18.680 37.173 1.00 22.23 ? 137 GLU A OXT 1 5: HETATM 1092 C C1 . RXA B 4 . ? 21.972 29.831 16.739 1.00 15.25 ? 200 RXA A C1 1 5: HETATM 1093 C C2 . RXA B 4 . ? 20.921 30.524 15.841 1.00 15.61 ? 200 RXA A C2 1 5: HETATM 1094 C C3 . RXA B 4 . ? 20.245 29.635 14.848 1.00 16.19 ? 200 RXA A C3 1 5: HETATM 1095 C C4 . RXA B 4 . ? 19.555 28.479 15.488 1.00 14.59 ? 200 RXA A C4 1 5: HETATM 1096 C C5 . RXA B 4 . ? 20.389 27.812 16.587 1.00 14.10 ? 200 RXA A C5 1 5: HETATM 1097 C C6 . RXA B 4 . ? 21.425 28.446 17.218 1.00 14.42 ? 200 RXA A C6 1 5: HETATM 1098 C C7 . RXA B 4 . ? 22.242 27.851 18.297 1.00 13.89 ? 200 RXA A C7 1 5: HETATM 1099 C C8 . RXA B 4 . ? 21.868 26.977 19.240 1.00 11.86 ? 200 RXA A C8 1 5: HETATM 1100 C C9 . RXA B 4 . ? 22.705 26.434 20.286 1.00 10.87 ? 200 RXA A C9 1 5: HETATM 1101 C C10 . RXA B 4 . ? 22.159 25.536 21.131 1.00 9.19 ? 200 RXA A C10 1 5: HETATM 1102 C C11 . RXA B 4 . ? 22.875 24.924 22.234 1.00 10.35 ? 200 RXA A C11 1 5: HETATM 1103 C C12 . RXA B 4 . ? 22.237 24.026 22.990 1.00 10.53 ? 200 RXA A C12 1 5: HETATM 1104 C C13 . RXA B 4 . ? 22.856 23.377 24.125 1.00 10.91 ? 200 RXA A C13 1 5: HETATM 1105 C C14 . RXA B 4 . ? 22.135 22.473 24.834 1.00 11.88 ? 200 RXA A C14 1 5: HETATM 1106 C C15 . RXA B 4 . ? 22.563 21.710 26.016 1.00 14.86 ? 200 RXA A C15 1 5: HETATM 1107 C C16 . RXA B 4 . ? 22.238 30.737 17.948 1.00 15.47 ? 200 RXA A C16 1 5: HETATM 1108 C C17 . RXA B 4 . ? 23.292 29.620 15.948 1.00 13.42 ? 200 RXA A C17 1 5: HETATM 1109 C C18 . RXA B 4 . ? 19.791 26.449 16.947 1.00 12.61 ? 200 RXA A C18 1 5: HETATM 1110 C C19 . RXA B 4 . ? 24.181 26.841 20.385 1.00 10.08 ? 200 RXA A C19 1 5: HETATM 1111 C C20 . RXA B 4 . ? 24.303 23.747 24.489 1.00 10.10 ? 200 RXA A C20 1 5: HETATM 1112 O O1 . RXA B 4 . ? 23.640 21.075 25.978 1.00 13.29 ? 200 RXA A O1 1 5: HETATM 1113 O O2 . RXA B 4 . ? 21.840 21.712 27.037 1.00 10.99 ? 200 RXA A O2 1 5: HETATM 1114 O O . HOH C 3 . ? 21.817 19.604 31.169 1.00 17.43 ? 300 HOH A O 1 5: HETATM 1115 O O . HOH C 3 . ? 7.617 26.892 37.107 1.00 12.66 ? 301 HOH A O 1 5: HETATM 1116 O O . HOH C 3 . ? 22.885 27.835 25.056 1.00 18.86 ? 302 HOH A O 1 5: HETATM 1117 O O . HOH C 3 . ? 30.685 27.402 22.818 1.00 14.12 ? 303 HOH A O 1 5: HETATM 1118 O O . HOH C 3 . ? 29.930 20.839 40.398 1.00 16.48 ? 304 HOH A O 1 5: HETATM 1119 O O . HOH C 3 . ? 31.492 21.096 28.452 1.00 16.65 ? 305 HOH A O 1 5: HETATM 1120 O O . HOH C 3 . ? 19.459 26.601 30.320 1.00 9.81 ? 306 HOH A O 1 5: HETATM 1121 O O . HOH C 3 . ? 19.116 26.759 22.930 1.00 22.33 ? 307 HOH A O 1 5: HETATM 1122 O O . HOH C 3 . ? 16.356 22.299 28.453 1.00 35.46 ? 308 HOH A O 1 5: HETATM 1123 O O . HOH C 3 . ? 21.823 21.939 29.734 1.00 13.95 ? 309 HOH A O 1 5: HETATM 1124 O O . HOH C 3 . ? 13.206 22.267 22.102 1.00 20.07 ? 310 HOH A O 1 5: HETATM 1125 O O . HOH C 3 . ? 30.300 22.803 12.740 1.00 24.70 ? 311 HOH A O 1 5: HETATM 1126 O O . HOH C 3 . ? 7.344 23.059 35.600 1.00 8.82 ? 312 HOH A O 1 5: HETATM 1127 O O . HOH C 3 . ? 6.876 22.668 20.375 1.00 29.74 ? 313 HOH A O 1 5: HETATM 1128 O O . HOH C 3 . ? 17.917 24.800 29.159 1.00 23.69 ? 314 HOH A O 1 5: HETATM 1129 O O . HOH C 3 . ? 37.101 16.714 38.714 1.00 19.84 ? 315 HOH A O 1 5: HETATM 1130 O O . HOH C 3 . ? 28.721 7.425 30.043 1.00 14.94 ? 316 HOH A O 1 5: HETATM 1131 O O . HOH C 3 . ? 13.212 14.450 25.193 1.00 18.03 ? 317 HOH A O 1 5: HETATM 1132 O O . HOH C 3 . ? 6.094 9.777 39.151 1.00 13.98 ? 318 HOH A O 1 5: HETATM 1133 O O . HOH C 3 . ? 19.296 10.379 13.144 1.00 27.20 ? 319 HOH A O 1 5: HETATM 1134 O O . HOH C 3 . ? 25.337 10.931 16.577 1.00 18.41 ? 320 HOH A O 1 5: HETATM 1135 O O . HOH C 3 . ? 25.244 34.269 18.193 1.00 9.65 ? 321 HOH A O 1 5: HETATM 1136 O O . HOH C 3 . ? 23.567 10.727 14.429 1.00 11.13 ? 322 HOH A O 1 5: HETATM 1137 O O . HOH C 3 . ? 17.151 12.178 30.238 1.00 11.53 ? 323 HOH A O 1 5: HETATM 1138 O O . HOH C 3 . ? 27.768 11.967 42.077 1.00 23.33 ? 324 HOH A O 1 5: HETATM 1139 O O . HOH C 3 . ? 30.270 12.554 21.386 1.00 25.05 ? 325 HOH A O 1 5: HETATM 1140 O O . HOH C 3 . ? 25.662 15.488 18.515 1.00 10.80 ? 326 HOH A O 1 5: HETATM 1141 O O . HOH C 3 . ? 4.514 21.426 18.685 1.00 45.94 ? 327 HOH A O 1 5: HETATM 1142 O O . HOH C 3 . ? 8.081 23.201 17.690 1.00 30.16 ? 328 HOH A O 1 5: HETATM 1143 O O . HOH C 3 . ? 13.242 29.389 14.924 1.00 39.93 ? 329 HOH A O 1 5: HETATM 1144 O O . HOH C 3 . ? 10.514 18.772 10.176 1.00 33.65 ? 330 HOH A O 1 5: HETATM 1145 O O . HOH C 3 . ? 10.555 13.666 26.313 1.00 32.55 ? 331 HOH A O 1 5: HETATM 1146 O O . HOH C 3 . ? 5.189 16.418 31.375 1.00 35.78 ? 332 HOH A O 1 5: HETATM 1147 O O . HOH C 3 . ? 0.738 25.633 36.349 1.00 29.00 ? 333 HOH A O 1 5: HETATM 1148 O O . HOH C 3 . ? 2.976 28.966 37.321 1.00 40.14 ? 334 HOH A O 1 5: HETATM 1149 O O . HOH C 3 . ? 6.424 28.750 38.849 1.00 32.17 ? 335 HOH A O 1 5: HETATM 1150 O O . HOH C 3 . ? 12.503 30.488 31.704 1.00 41.11 ? 336 HOH A O 1 5: HETATM 1151 O O . HOH C 3 . ? 14.979 30.157 27.559 1.00 23.78 ? 337 HOH A O 1 5: HETATM 1152 O O . HOH C 3 . ? 17.312 32.981 28.812 1.00 20.84 ? 338 HOH A O 1 5: HETATM 1153 O O . HOH C 3 . ? 29.473 25.946 34.693 1.00 29.05 ? 339 HOH A O 1 5: HETATM 1154 O O . HOH C 3 . ? 30.328 23.817 33.494 1.00 24.17 ? 340 HOH A O 1 5: HETATM 1155 O O . HOH C 3 . ? 31.158 28.144 26.433 1.00 42.66 ? 341 HOH A O 1 5: HETATM 1156 O O . HOH C 3 . ? 30.276 28.397 16.400 1.00 21.90 ? 342 HOH A O 1 5: HETATM 1157 O O . HOH C 3 . ? 19.533 23.600 26.857 1.00 21.12 ? 343 HOH A O 1 5: HETATM 1158 O O . HOH C 3 . ? 17.892 24.675 24.549 1.00 48.11 ? 344 HOH A O 1 5: HETATM 1159 O O . HOH C 3 . ? 14.211 24.152 25.435 1.00 21.09 ? 345 HOH A O 1 5: HETATM 1160 O O . HOH C 3 . ? 15.223 27.626 27.056 1.00 27.16 ? 346 HOH A O 1 5: HETATM 1161 O O . HOH C 3 . ? 3.502 22.911 43.083 1.00 30.15 ? 347 HOH A O 1 5: HETATM 1162 O O . HOH C 3 . ? 20.610 7.668 40.212 1.00 49.06 ? 348 HOH A O 1 5: HETATM 1163 O O . HOH C 3 . ? 24.813 2.899 36.403 1.00 48.98 ? 349 HOH A O 1 5: HETATM 1164 O O . HOH C 3 . ? 29.900 5.163 26.918 1.00 23.60 ? 350 HOH A O 1 5: HETATM 1165 O O . HOH C 3 . ? 14.333 5.466 42.757 1.00 22.90 ? 351 HOH A O 1 5: HETATM 1166 O O . HOH C 3 . ? 8.914 5.771 35.515 1.00 35.92 ? 352 HOH A O 1 5: HETATM 1167 O O . HOH C 3 . ? 14.519 28.906 40.193 1.00 28.73 ? 353 HOH A O 1 5: HETATM 1168 O O . HOH C 3 . ? 17.573 20.203 47.080 1.00 37.63 ? 354 HOH A O 1 5: HETATM 1169 O O . HOH C 3 . ? 13.324 32.251 34.152 1.00 47.79 ? 355 HOH A O 1 5: HETATM 1170 O O . HOH C 3 . ? 12.491 24.840 7.594 1.00 39.45 ? 356 HOH A O 1 5: HETATM 1171 O O . HOH C 3 . ? 25.066 15.777 15.214 1.00 27.39 ? 357 HOH A O 1 5: HETATM 1172 O O . HOH C 3 . ? 27.138 17.638 17.834 1.00 45.12 ? 358 HOH A O 1 5: HETATM 1173 O O . HOH C 3 . ? 27.611 19.792 19.503 1.00 24.45 ? 359 HOH A O 1 5: HETATM 1174 O O . HOH C 3 . ? 11.358 8.880 19.119 1.00 24.31 ? 360 HOH A O 1 5: HETATM 1175 O O . HOH C 3 . ? 16.252 27.169 24.557 1.00 25.40 ? 361 HOH A O 1 5: HETATM 1176 O O . HOH C 3 . ? 22.049 27.870 4.565 1.00 25.37 ? 362 HOH A O 1 5: HETATM 1177 O O . HOH C 3 . ? 11.533 6.689 34.501 1.00 29.92 ? 363 HOH A O 1 5: HETATM 1178 O O . HOH C 3 . ? 13.269 4.551 36.338 1.00 45.75 ? 364 HOH A O 1 5: HETATM 1179 O O . HOH C 3 . ? 23.149 9.493 41.173 1.00 30.10 ? 365 HOH A O 1 5: HETATM 1180 O O . HOH C 3 . ? 21.090 12.171 43.973 1.00 27.97 ? 366 HOH A O 1 5: HETATM 1181 O O . HOH C 3 . ? 11.884 13.399 42.560 1.00 23.28 ? 367 HOH A O 1 5: HETATM 1182 O O . HOH C 3 . ? 29.542 17.520 20.025 1.00 38.32 ? 368 HOH A O 1 5: HETATM 1183 O O . HOH C 3 . ? 31.058 17.427 22.538 1.00 37.85 ? 369 HOH A O 1 5: HETATM 1184 O O . HOH C 3 . ? 31.928 9.444 23.294 1.00 46.07 ? 370 HOH A O 1 5: HETATM 1185 O O . HOH C 3 . ? 25.699 10.933 9.557 1.00 44.12 ? 371 HOH A O 1 5: HETATM 1186 O O . HOH C 3 . ? 26.533 13.428 16.334 1.00 45.21 ? 372 HOH A O 1 5: HETATM 1187 O O . HOH C 3 . ? 27.078 16.850 13.245 1.00 39.52 ? 373 HOH A O 1 5: HETATM 1188 O O . HOH C 3 . ? 20.596 32.070 6.807 1.00 36.38 ? 374 HOH A O 1 5: HETATM 1189 O O . HOH C 3 . ? 17.126 28.421 9.515 1.00 23.81 ? 375 HOH A O 1 5: HETATM 1190 O O . HOH C 3 . ? 16.626 32.383 11.231 1.00 20.11 ? 376 HOH A O 1 5: HETATM 1191 O O . HOH C 3 . ? 6.046 30.510 19.639 1.00 29.02 ? 377 HOH A O 1 5: HETATM 1192 O O . HOH C 3 . ? 9.543 16.072 11.145 1.00 50.91 ? 378 HOH A O 1 5: HETATM 1193 O O . HOH C 3 . ? 8.174 14.289 20.240 1.00 54.21 ? 379 HOH A O 1 5: HETATM 1194 O O . HOH C 3 . ? 11.561 10.834 22.873 1.00 43.23 ? 380 HOH A O 1 5: HETATM 1195 O O . HOH C 3 . ? 5.486 15.385 24.922 1.00 50.19 ? 381 HOH A O 1 5: HETATM 1196 O O . HOH C 3 . ? 6.038 21.424 43.276 1.00 46.64 ? 382 HOH A O 1 5: HETATM 1197 O O . HOH C 3 . ? 34.144 19.165 27.284 1.00 41.41 ? 383 HOH A O 1 5: HETATM 1198 O O . HOH C 3 . ? 16.916 27.142 42.621 1.00 29.32 ? 384 HOH A O 1 5: HETATM 1199 O O . HOH C 3 . ? 25.509 24.918 41.520 1.00 32.12 ? 385 HOH A O 1 5: HETATM 1200 O O . HOH C 3 . ? 31.446 7.504 31.389 1.00 28.93 ? 386 HOH A O 1 5: HETATM 1201 O O . HOH C 3 . ? 18.212 20.893 5.892 1.00 29.90 ? 387 HOH A O 1 5: HETATM 1202 O O . HOH C 3 . ? 15.148 27.608 7.685 1.00 30.91 ? 388 HOH A O 1 5: HETATM 1203 O O . HOH C 3 . ? 2.656 23.148 20.117 1.00 35.98 ? 389 HOH A O 1 5: HETATM 1204 O O . HOH C 3 . ? 3.100 22.690 28.640 1.00 31.31 ? 390 HOH A O 1 5: HETATM 1205 O O . HOH C 3 . ? 13.699 19.720 21.819 1.00 26.56 ? 391 HOH A O 1 5: HETATM 1206 O O . HOH C 3 . ? 26.833 28.283 32.272 1.00 31.48 ? 392 HOH A O 1 5: HETATM 1207 O O . HOH C 3 . ? 20.458 26.214 25.811 1.00 24.39 ? 393 HOH A O 1 5: HETATM 1208 O O . HOH C 3 . ? 32.304 27.731 18.152 1.00 41.66 ? 394 HOH A O 1 5: HETATM 1209 O O . HOH C 3 . ? 24.283 13.868 42.687 1.00 35.59 ? 395 HOH A O 1 5: HETATM 1210 O O . HOH C 3 . ? 11.833 12.657 45.160 1.00 38.30 ? 396 HOH A O 1 5: HETATM 1211 O O . HOH C 3 . ? 1.988 27.992 43.589 1.00 33.97 ? 397 HOH A O 1 5: HETATM 1212 O O . HOH C 3 . ? 32.913 22.982 40.176 1.00 39.26 ? 398 HOH A O 1 5: HETATM 1213 O O . HOH C 3 . ? 32.435 20.043 40.169 1.00 33.87 ? 399 HOH A O 1 5: # 5: loop_ 5: _pdbx_validate_torsion.id 5: _pdbx_validate_torsion.PDB_model_num 5: _pdbx_validate_torsion.auth_comp_id 5: _pdbx_validate_torsion.auth_asym_id 5: _pdbx_validate_torsion.auth_seq_id 5: _pdbx_validate_torsion.PDB_ins_code 5: _pdbx_validate_torsion.label_alt_id 5: _pdbx_validate_torsion.phi 5: _pdbx_validate_torsion.psi 5: 1 1 GLU A 73 ? ? -144.94 -154.28 5: 2 1 ASP A 126 ? ? 55.69 -115.96 5: # 5: loop_ 5: _struct_site_gen.id 5: _struct_site_gen.site_id 5: _struct_site_gen.pdbx_num_res 5: _struct_site_gen.label_comp_id 5: _struct_site_gen.label_asym_id 5: _struct_site_gen.label_seq_id 5: _struct_site_gen.pdbx_auth_ins_code 5: _struct_site_gen.auth_comp_id 5: _struct_site_gen.auth_asym_id 5: _struct_site_gen.auth_seq_id 5: _struct_site_gen.label_atom_id 5: _struct_site_gen.label_alt_id 5: _struct_site_gen.symmetry 5: _struct_site_gen.details 5: 1 AC1 10 GLU A 13 ? GLU A 13 . ? 3_655 ? 5: 2 AC1 10 ALA A 32 ? ALA A 32 . ? 1_555 ? 5: 3 AC1 10 THR A 54 ? THR A 54 . ? 1_555 ? 5: 4 AC1 10 VAL A 58 ? VAL A 58 . ? 1_555 ? 5: 5 AC1 10 VAL A 76 ? VAL A 76 . ? 1_555 ? 5: 6 AC1 10 LEU A 121 ? LEU A 121 . ? 1_555 ? 5: 7 AC1 10 ARG A 132 ? ARG A 132 . ? 1_555 ? 5: 8 AC1 10 TYR A 134 ? TYR A 134 . ? 1_555 ? 5: 9 AC1 10 HOH C . ? HOH A 309 . ? 1_555 ? 5: 10 AC1 10 HOH C . ? HOH A 343 . ? 1_555 ? 5: # 5: loop_ 5: _pdbx_nonpoly_scheme.asym_id 5: _pdbx_nonpoly_scheme.entity_id 5: _pdbx_nonpoly_scheme.mon_id 5: _pdbx_nonpoly_scheme.ndb_seq_num 5: _pdbx_nonpoly_scheme.pdb_seq_num 5: _pdbx_nonpoly_scheme.auth_seq_num 5: _pdbx_nonpoly_scheme.pdb_mon_id 5: _pdbx_nonpoly_scheme.auth_mon_id 5: _pdbx_nonpoly_scheme.pdb_strand_id 5: _pdbx_nonpoly_scheme.pdb_ins_code 5: B 4 RXA 1 200 200 RXA RXA A . 5: C 3 HOH 1 300 300 HOH HOH A . 5: C 3 HOH 2 301 301 HOH HOH A . 5: C 3 HOH 3 302 302 HOH HOH A . 5: C 3 HOH 4 303 303 HOH HOH A . 5: C 3 HOH 5 304 304 HOH HOH A . 5: C 3 HOH 6 305 305 HOH HOH A . 5: C 3 HOH 7 306 306 HOH HOH A . 5: C 3 HOH 8 307 307 HOH HOH A . 5: C 3 HOH 9 308 308 HOH HOH A . 5: C 3 HOH 10 309 309 HOH HOH A . 5: C 3 HOH 11 310 310 HOH HOH A . 5: C 3 HOH 12 311 311 HOH HOH A . 5: C 3 HOH 13 312 312 HOH HOH A . 5: C 3 HOH 14 313 313 HOH HOH A . 5: C 3 HOH 15 314 314 HOH HOH A . 5: C 3 HOH 16 315 315 HOH HOH A . 5: C 3 HOH 17 316 316 HOH HOH A . 5: C 3 HOH 18 317 317 HOH HOH A . 5: C 3 HOH 19 318 318 HOH HOH A . 5: C 3 HOH 20 319 319 HOH HOH A . 5: C 3 HOH 21 320 320 HOH HOH A . 5: C 3 HOH 22 321 321 HOH HOH A . 5: C 3 HOH 23 322 322 HOH HOH A . 5: C 3 HOH 24 323 323 HOH HOH A . 5: C 3 HOH 25 324 324 HOH HOH A . 5: C 3 HOH 26 325 325 HOH HOH A . 5: C 3 HOH 27 326 326 HOH HOH A . 5: C 3 HOH 28 327 327 HOH HOH A . 5: C 3 HOH 29 328 328 HOH HOH A . 5: C 3 HOH 30 329 329 HOH HOH A . 5: C 3 HOH 31 330 330 HOH HOH A . 5: C 3 HOH 32 331 331 HOH HOH A . 5: C 3 HOH 33 332 332 HOH HOH A . 5: C 3 HOH 34 333 333 HOH HOH A . 5: C 3 HOH 35 334 334 HOH HOH A . 5: C 3 HOH 36 335 335 HOH HOH A . 5: C 3 HOH 37 336 336 HOH HOH A . 5: C 3 HOH 38 337 337 HOH HOH A . 5: C 3 HOH 39 338 338 HOH HOH A . 5: C 3 HOH 40 339 339 HOH HOH A . 5: C 3 HOH 41 340 340 HOH HOH A . 5: C 3 HOH 42 341 341 HOH HOH A . 5: C 3 HOH 43 342 342 HOH HOH A . 5: C 3 HOH 44 343 343 HOH HOH A . 5: C 3 HOH 45 344 344 HOH HOH A . 5: C 3 HOH 46 345 345 HOH HOH A . 5: C 3 HOH 47 346 346 HOH HOH A . 5: C 3 HOH 48 347 347 HOH HOH A . 5: C 3 HOH 49 348 348 HOH HOH A . 5: C 3 HOH 50 349 349 HOH HOH A . 5: C 3 HOH 51 350 350 HOH HOH A . 5: C 3 HOH 52 351 351 HOH HOH A . 5: C 3 HOH 53 352 352 HOH HOH A . 5: C 3 HOH 54 353 353 HOH HOH A . 5: C 3 HOH 55 354 354 HOH HOH A . 5: C 3 HOH 56 355 355 HOH HOH A . 5: C 3 HOH 57 356 356 HOH HOH A . 5: C 3 HOH 58 357 357 HOH HOH A . 5: C 3 HOH 59 358 358 HOH HOH A . 5: C 3 HOH 60 359 359 HOH HOH A . 5: C 3 HOH 61 360 360 HOH HOH A . 5: C 3 HOH 62 361 361 HOH HOH A . 5: C 3 HOH 63 362 362 HOH HOH A . 5: C 3 HOH 64 363 363 HOH HOH A . 5: C 3 HOH 65 364 364 HOH HOH A . 5: C 3 HOH 66 365 365 HOH HOH A . 5: C 3 HOH 67 366 366 HOH HOH A . 5: C 3 HOH 68 367 367 HOH HOH A . 5: C 3 HOH 69 368 368 HOH HOH A . 5: C 3 HOH 70 369 369 HOH HOH A . 5: C 3 HOH 71 370 370 HOH HOH A . 5: C 3 HOH 72 371 371 HOH HOH A . 5: C 3 HOH 73 372 372 HOH HOH A . 5: C 3 HOH 74 373 373 HOH HOH A . 5: C 3 HOH 75 374 374 HOH HOH A . 5: C 3 HOH 76 375 375 HOH HOH A . 5: C 3 HOH 77 376 376 HOH HOH A . 5: C 3 HOH 78 377 377 HOH HOH A . 5: C 3 HOH 79 378 378 HOH HOH A . 5: C 3 HOH 80 379 379 HOH HOH A . 5: C 3 HOH 81 380 380 HOH HOH A . 5: C 3 HOH 82 381 381 HOH HOH A . 5: C 3 HOH 83 382 382 HOH HOH A . 5: C 3 HOH 84 383 383 HOH HOH A . 5: C 3 HOH 85 384 384 HOH HOH A . 5: C 3 HOH 86 385 385 HOH HOH A . 5: C 3 HOH 87 386 386 HOH HOH A . 5: C 3 HOH 88 387 387 HOH HOH A . 5: C 3 HOH 89 388 388 HOH HOH A . 5: C 3 HOH 90 389 389 HOH HOH A . 5: C 3 HOH 91 390 390 HOH HOH A . 5: C 3 HOH 92 391 391 HOH HOH A . 5: C 3 HOH 93 392 392 HOH HOH A . 5: C 3 HOH 94 393 393 HOH HOH A . 5: C 3 HOH 95 394 394 HOH HOH A . 5: C 3 HOH 96 395 395 HOH HOH A . 5: C 3 HOH 97 396 396 HOH HOH A . 5: C 3 HOH 98 397 397 HOH HOH A . 5: C 3 HOH 99 398 398 HOH HOH A . 5: C 3 HOH 100 399 399 HOH HOH A . 5: # 5: loop_ 5: _pdbx_entity_nonpoly.entity_id 5: _pdbx_entity_nonpoly.name 5: _pdbx_entity_nonpoly.comp_id 5: 3 water HOH 5: 4 'RENAMED RETINOIC ACID' RXA 5: # 5: _struct_ref_seq.align_id 1 5: _struct_ref_seq.ref_id 1 5: _struct_ref_seq.pdbx_PDB_id_code 1CBS 5: _struct_ref_seq.pdbx_strand_id A 5: _struct_ref_seq.seq_align_beg 1 5: _struct_ref_seq.pdbx_seq_align_beg_ins_code ? 5: _struct_ref_seq.seq_align_end 137 5: _struct_ref_seq.pdbx_seq_align_end_ins_code ? 5: _struct_ref_seq.pdbx_db_accession P29373 5: _struct_ref_seq.db_align_beg 1 5: _struct_ref_seq.pdbx_db_align_beg_ins_code ? 5: _struct_ref_seq.db_align_end 137 5: _struct_ref_seq.pdbx_db_align_end_ins_code ? 5: _struct_ref_seq.pdbx_auth_seq_align_beg 1 5: _struct_ref_seq.pdbx_auth_seq_align_end 137 5: # 5: loop_ 5: _struct_sheet_range.sheet_id 5: _struct_sheet_range.id 5: _struct_sheet_range.beg_label_comp_id 5: _struct_sheet_range.beg_label_asym_id 5: _struct_sheet_range.beg_label_seq_id 5: _struct_sheet_range.pdbx_beg_PDB_ins_code 5: _struct_sheet_range.end_label_comp_id 5: _struct_sheet_range.end_label_asym_id 5: _struct_sheet_range.end_label_seq_id 5: _struct_sheet_range.pdbx_end_PDB_ins_code 5: _struct_sheet_range.beg_auth_comp_id 5: _struct_sheet_range.beg_auth_asym_id 5: _struct_sheet_range.beg_auth_seq_id 5: _struct_sheet_range.end_auth_comp_id 5: _struct_sheet_range.end_auth_asym_id 5: _struct_sheet_range.end_auth_seq_id 5: A 1 THR A 60 ? LYS A 66 ? THR A 60 LYS A 66 5: A 2 THR A 49 ? SER A 55 ? THR A 49 SER A 55 5: A 3 ALA A 40 ? GLU A 46 ? ALA A 40 GLU A 46 5: A 4 GLY A 5 ? GLU A 13 ? GLY A 5 GLU A 13 5: A 5 VAL A 128 ? ARG A 136 ? VAL A 128 ARG A 136 5: A 6 LEU A 119 ? ALA A 125 ? LEU A 119 ALA A 125 5: A 7 THR A 107 ? LEU A 113 ? THR A 107 LEU A 113 5: A 8 LYS A 92 ? LEU A 99 ? LYS A 92 LEU A 99 5: A 9 PRO A 80 ? SER A 89 ? PRO A 80 SER A 89 5: A 10 PHE A 71 ? GLN A 74 ? PHE A 71 GLN A 74 5: # 5: loop_ 5: _struct_conf.conf_type_id 5: _struct_conf.id 5: _struct_conf.pdbx_PDB_helix_id 5: _struct_conf.beg_label_comp_id 5: _struct_conf.beg_label_asym_id 5: _struct_conf.beg_label_seq_id 5: _struct_conf.pdbx_beg_PDB_ins_code 5: _struct_conf.end_label_comp_id 5: _struct_conf.end_label_asym_id 5: _struct_conf.end_label_seq_id 5: _struct_conf.pdbx_end_PDB_ins_code 5: _struct_conf.beg_auth_comp_id 5: _struct_conf.beg_auth_asym_id 5: _struct_conf.beg_auth_seq_id 5: _struct_conf.end_auth_comp_id 5: _struct_conf.end_auth_asym_id 5: _struct_conf.end_auth_seq_id 5: _struct_conf.pdbx_PDB_helix_class 5: _struct_conf.details 5: _struct_conf.pdbx_PDB_helix_length 5: HELX_P HELX_P1 1 ASN A 14 ? LEU A 22 ? ASN A 14 LEU A 22 1 ? 9 5: HELX_P HELX_P2 2 ASN A 25 ? SER A 37 ? ASN A 25 SER A 37 1 ? 13 5: # 5: loop_ 5: _struct_sheet_order.sheet_id 5: _struct_sheet_order.range_id_1 5: _struct_sheet_order.range_id_2 5: _struct_sheet_order.offset 5: _struct_sheet_order.sense 5: A 1 2 ? anti-parallel 5: A 2 3 ? anti-parallel 5: A 3 4 ? anti-parallel 5: A 4 5 ? anti-parallel 5: A 5 6 ? anti-parallel 5: A 6 7 ? anti-parallel 5: A 7 8 ? anti-parallel 5: A 8 9 ? anti-parallel 5: A 9 10 ? anti-parallel 5: # 5: loop_ 5: _pdbx_struct_sheet_hbond.sheet_id 5: _pdbx_struct_sheet_hbond.range_id_1 5: _pdbx_struct_sheet_hbond.range_id_2 5: _pdbx_struct_sheet_hbond.range_1_label_atom_id 5: _pdbx_struct_sheet_hbond.range_1_label_comp_id 5: _pdbx_struct_sheet_hbond.range_1_label_asym_id 5: _pdbx_struct_sheet_hbond.range_1_label_seq_id 5: _pdbx_struct_sheet_hbond.range_1_PDB_ins_code 5: _pdbx_struct_sheet_hbond.range_1_auth_atom_id 5: _pdbx_struct_sheet_hbond.range_1_auth_comp_id 5: _pdbx_struct_sheet_hbond.range_1_auth_asym_id 5: _pdbx_struct_sheet_hbond.range_1_auth_seq_id 5: _pdbx_struct_sheet_hbond.range_2_label_atom_id 5: _pdbx_struct_sheet_hbond.range_2_label_comp_id 5: _pdbx_struct_sheet_hbond.range_2_label_asym_id 5: _pdbx_struct_sheet_hbond.range_2_label_seq_id 5: _pdbx_struct_sheet_hbond.range_2_PDB_ins_code 5: _pdbx_struct_sheet_hbond.range_2_auth_atom_id 5: _pdbx_struct_sheet_hbond.range_2_auth_comp_id 5: _pdbx_struct_sheet_hbond.range_2_auth_asym_id 5: _pdbx_struct_sheet_hbond.range_2_auth_seq_id 5: A 1 2 O PHE A 65 ? O PHE A 65 N PHE A 50 ? N PHE A 50 5: A 2 3 N SER A 55 ? N SER A 55 O ALA A 40 ? O ALA A 40 2/8 Test #8: validate-pdbx-test ............... Passed 0.14 sec 5: A 3 4 N ILE A 43 ? N ILE A 43 O GLY A 5 ? O GLY A 5 5: A 4 5 N GLU A 13 ? N GLU A 13 O THR A 131 ? O THR A 131 5: A 5 6 N TYR A 134 ? N TYR A 134 O LEU A 119 ? O LEU A 119 5: A 6 7 N THR A 124 ? N THR A 124 O SER A 108 ? O SER A 108 5: A 7 8 O ARG A 111 ? O ARG A 111 N MET A 93 ? N MET A 93 5: A 8 9 O LYS A 98 ? O LYS A 98 N LYS A 82 ? N LYS A 82 5: A 9 10 N SER A 83 ? N SER A 83 O PHE A 71 ? O PHE A 71 5: # 5: Skipping validation of empty category pdbx_branch_scheme 1: Adding mandatory item conn_type_id to category struct_conn 1: Adding mandatory item ptnr1_label_asym_id to category struct_conn 1: Adding mandatory item ptnr1_label_comp_id to category struct_conn 1: Adding mandatory item ptnr1_label_seq_id to category struct_conn 1: Adding mandatory item ptnr2_label_asym_id to category struct_conn 1: Adding mandatory item ptnr2_label_comp_id to category struct_conn 1: Adding mandatory item ptnr2_label_seq_id to category struct_conn 1: The asym ID's of ndb_poly_seq_scheme and pdbx_poly_seq_scheme are not equal, dropping ndb_poly_seq_scheme 1: 1: Configuration error: 1: 1: The attempt to retrieve compound information for "&&&" failed. 1: 1: This information is searched for in a CCD file called components.cif or 1: components.cif.gz which should be located in one of the following directories: 1: 1: 1: (Note that you can add a directory to the search paths by setting the 1: LIBCIFPP_DATA_DIR environmental variable) 1: 1: On Linux an optional cron script might have been installed that automatically updates 1: components.cif and mmCIF dictionary files. This script only works when the file 1: libcifpp.conf contains an uncommented line with the text: 1: 1: update=true 1: 1: If you do not have a working cron script, you can manually update the files 1: in /var/cache/libcifpp using the following commands: 1: 1: curl -o /var/cache/libcifpp/components.cif https://files.wwpdb.org/pub/pdb/data/monomers/components.cif 1: curl -o /var/cache/libcifpp/mmcif_pdbx.dic https://mmcif.wwpdb.org/dictionaries/ascii/mmcif_pdbx_v50.dic 1: curl -o /var/cache/libcifpp/mmcif_ma.dic https://github.com/ihmwg/ModelCIF/raw/master/dist/mmcif_ma.dic 1: 1: The current order of compound factory objects is: 1: 1: CCD components file: "/build/reproducible-path/libcifpp-7.0.7/test/REA_v2.cif" 1: CCD components file: "/build/reproducible-path/libcifpp-7.0.7/test/HEM.cif" 1: CCD components.cif resource 1: 1: The following named resources were loaded: 1: components.cif -> "/build/reproducible-path/libcifpp-7.0.7/test/../rsrc/ccd-subset.cif" 1: mmcif_pdbx.dic -> "/build/reproducible-path/libcifpp-7.0.7/test/../rsrc/mmcif_pdbx.dic" 4: =============================================================================== 4: All tests passed (8500 assertions in 6 test cases) 4: 5: data_1CBS 5: # 5: _entry.id 1CBS 5: # 5: _audit_conform.dict_name mmcif_pdbx.dic 5: _audit_conform.dict_version 5.395 5: _audit_conform.dict_location ? 5: # 5: _struct_biol.id 1 5: _struct_biol.pdbx_parent_biol_id ? 5: # 5: loop_ 5: _entity.id 5: _entity.type 5: _entity.src_method 5: _entity.pdbx_description 5: _entity.formula_weight 5: _entity.pdbx_number_of_molecules 5: _entity.pdbx_ec 5: _entity.pdbx_mutation 5: _entity.pdbx_fragment 5: _entity.details 5: _entity.pdbx_parent_entity_id 5: 1 polymer man 'CELLULAR RETINOIC ACID BINDING PROTEIN TYPE II' 15581.802 1 ? ? ? ? ? 5: 3 water nat water 18.015 100 ? ? ? ? ? 5: 4 non-polymer ? 'RENAMED RETINOIC ACID' 300.435 1 ? ? ? ? ? 5: # 5: _symmetry.entry_id 1CBS 5: _symmetry.space_group_name_H-M 'P 21 21 21' 5: _symmetry.pdbx_full_space_group_name_H-M ? 5: _symmetry.cell_setting ? 5: _symmetry.Int_Tables_number 19 5: # 5: _struct_site.id AC1 5: _struct_site.pdbx_evidence_code Software 5: _struct_site.pdbx_auth_asym_id ? 5: _struct_site.pdbx_auth_comp_id ? 5: _struct_site.pdbx_auth_seq_id ? 5: _struct_site.pdbx_auth_ins_code ? 5: _struct_site.pdbx_num_residues 10 5: _struct_site.details 'BINDING SITE FOR RESIDUE REA A 200' 5: # 5: _struct_sheet.id A 5: _struct_sheet.type ? 5: _struct_sheet.number_strands 10 5: _struct_sheet.details ? 5: # 5: _struct_ref.id 1 5: _struct_ref.db_name UNP 5: _struct_ref.db_code RABP2_HUMAN 5: _struct_ref.entity_id 1 5: _struct_ref.pdbx_db_accession P29373 5: _struct_ref.pdbx_align_begin 1 5: _struct_ref.pdbx_seq_one_letter_code 5: ;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP 5: CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE 5: ; 5: _struct_ref.pdbx_db_isoform ? 5: _struct_ref.biol_id ? 5: # 5: _struct_keywords.entry_id 1CBS 5: _struct_keywords.pdbx_keywords 'RETINOIC-ACID TRANSPORT' 5: _struct_keywords.text 'RETINOIC-ACID TRANSPORT' 5: # 5: _struct_conf_type.id HELX_P 5: _struct_conf_type.criteria ? 5: _struct_conf_type.reference ? 5: # 5: loop_ 5: _struct_asym.id 5: _struct_asym.pdbx_blank_PDB_chainid_flag 5: _struct_asym.pdbx_modified 5: _struct_asym.entity_id 5: _struct_asym.details 5: A N N 1 ? 5: B N N 4 ? 5: C N N 3 ? 5: # 5: _struct.entry_id 1CBS 5: _struct.title 5: ;CRYSTAL STRUCTURE OF CELLULAR RETINOIC-ACID-BINDING PROTEINS I AND II IN COMPLEX WITH ALL-TRANS-RETINOIC ACID AND A SYNTHETIC RETINOID 5: ; 5: _struct.pdbx_descriptor 5: 'CELLULAR RETINOIC-ACID-BINDING PROTEIN TYPE II COMPLEXED WITH ALL-TRANS-RETINOIC ACID (THE PRESUMED PHYSIOLOGICAL LIGAND)' 5: _struct.pdbx_model_details ? 5: _struct.pdbx_CASP_flag ? 5: _struct.pdbx_model_type_details ? 5: # 5: _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' 5: _refine_hist.cycle_id LAST 5: _refine_hist.pdbx_number_atoms_protein 1091 5: _refine_hist.pdbx_number_atoms_nucleic_acid 0 5: _refine_hist.pdbx_number_atoms_ligand 22 5: _refine_hist.number_atoms_solvent 100 5: _refine_hist.number_atoms_total 1213 5: _refine_hist.d_res_high 1.8 5: _refine_hist.d_res_low 8.0 5: # 5: _refine.entry_id 1CBS 5: _refine.ls_number_reflns_obs 14312 5: _refine.ls_number_reflns_all ? 5: _refine.pdbx_ls_sigma_I ? 5: _refine.pdbx_ls_sigma_F 2. 5: _refine.pdbx_data_cutoff_high_absF ? 5: _refine.pdbx_data_cutoff_low_absF ? 5: _refine.pdbx_data_cutoff_high_rms_absF ? 5: _refine.ls_d_res_low 8.0 5: _refine.ls_d_res_high 1.8 5: _refine.ls_percent_reflns_obs 90.3 5: _refine.ls_R_factor_obs 0.2000000 5: _refine.ls_R_factor_all ? 5: _refine.ls_R_factor_R_work 0.2000000 5: _refine.ls_R_factor_R_free 0.2370000 5: _refine.ls_R_factor_R_free_error ? 5: _refine.ls_R_factor_R_free_error_details ? 5: _refine.ls_percent_reflns_R_free ? 5: _refine.ls_number_reflns_R_free ? 5: _refine.ls_number_parameters ? 5: _refine.ls_number_restraints ? 5: _refine.occupancy_min ? 5: _refine.occupancy_max ? 5: _refine.B_iso_mean 16.6 5: _refine.aniso_B[1][1] ? 5: _refine.aniso_B[2][2] ? 5: _refine.aniso_B[3][3] ? 5: _refine.aniso_B[1][2] ? 5: _refine.aniso_B[1][3] ? 5: _refine.aniso_B[2][3] ? 5: _refine.solvent_model_details ? 5: _refine.solvent_model_param_ksol ? 5: _refine.solvent_model_param_bsol ? 5: _refine.pdbx_ls_cross_valid_method ? 5: _refine.details ? 5: _refine.pdbx_starting_model ? 5: _refine.pdbx_method_to_determine_struct ? 5: _refine.pdbx_isotropic_thermal_model ? 5: _refine.pdbx_stereochemistry_target_values ? 5: _refine.pdbx_stereochem_target_val_spec_case ? 5: _refine.pdbx_R_Free_selection_details ? 5: _refine.pdbx_overall_ESU_R ? 5: _refine.pdbx_overall_ESU_R_Free ? 5: _refine.overall_SU_ML ? 5: _refine.overall_SU_B ? 5: _refine.pdbx_refine_id 'X-RAY DIFFRACTION' 5: _refine.pdbx_diffrn_id 1 5: _refine.pdbx_TLS_residual_ADP_flag ? 5: _refine.correlation_coeff_Fo_to_Fc ? 5: _refine.correlation_coeff_Fo_to_Fc_free ? 5: _refine.pdbx_solvent_vdw_probe_radii ? 5: _refine.pdbx_solvent_ion_probe_radii ? 5: _refine.pdbx_solvent_shrinkage_radii ? 5: _refine.pdbx_overall_phase_error ? 5: _refine.overall_SU_R_Cruickshank_DPI ? 5: _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? 5: _refine.pdbx_overall_SU_R_Blow_DPI ? 5: _refine.pdbx_overall_SU_R_free_Blow_DPI ? 5: # 5: _pdbx_struct_oper_list.id 1 5: _pdbx_struct_oper_list.type 'identity operation' 5: _pdbx_struct_oper_list.name 1_555 5: _pdbx_struct_oper_list.symmetry_operation x,y,z 5: _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 5: _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 5: _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 5: _pdbx_struct_oper_list.vector[1] 0.0000000000 5: _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 5: _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 5: _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 5: _pdbx_struct_oper_list.vector[2] 0.0000000000 5: _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 5: _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 5: _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 5: _pdbx_struct_oper_list.vector[3] 0.0000000000 5: # 5: _pdbx_struct_assembly.id 1 5: _pdbx_struct_assembly.details author_defined_assembly 5: _pdbx_struct_assembly.method_details ? 5: _pdbx_struct_assembly.oligomeric_details monomeric 5: _pdbx_struct_assembly.oligomeric_count 1 5: # 5: _pdbx_database_status.status_code REL 5: _pdbx_database_status.entry_id 1CBS 5: _pdbx_database_status.recvd_initial_deposition_date 1994-09-28 5: _pdbx_database_status.deposit_site ? 5: _pdbx_database_status.process_site ? 5: _pdbx_database_status.status_code_sf REL 5: _pdbx_database_status.status_code_mr ? 5: _pdbx_database_status.SG_entry ? 5: _pdbx_database_status.pdb_format_compatible Y 5: _pdbx_database_status.status_code_cs ? 5: # 5: loop_ 5: _pdbx_audit_revision_history.ordinal 5: _pdbx_audit_revision_history.data_content_type 5: _pdbx_audit_revision_history.major_revision 5: _pdbx_audit_revision_history.minor_revision 5: _pdbx_audit_revision_history.revision_date 5: 1 'Structure model' 1 0 1995-01-26 5: 2 'Structure model' 1 1 2008-03-24 5: 3 'Structure model' 1 2 2011-07-13 5: # 5: _exptl_crystal.id 1 5: _exptl_crystal.density_meas ? 5: _exptl_crystal.density_Matthews 2.70 5: _exptl_crystal.density_percent_sol 54.49 5: _exptl_crystal.description ? 5: # 5: _exptl.entry_id 1CBS 5: _exptl.method 'X-RAY DIFFRACTION' 5: _exptl.crystals_number ? 5: # 5: _entity_src_gen.entity_id 1 5: _entity_src_gen.pdbx_src_id 1 5: _entity_src_gen.pdbx_alt_source_flag sample 5: _entity_src_gen.pdbx_seq_type ? 5: _entity_src_gen.pdbx_beg_seq_num ? 5: _entity_src_gen.pdbx_end_seq_num ? 5: _entity_src_gen.gene_src_common_name human 5: _entity_src_gen.gene_src_genus Homo 5: _entity_src_gen.pdbx_gene_src_gene 'HUMAN CRABP-II' 5: _entity_src_gen.gene_src_species ? 5: _entity_src_gen.gene_src_strain ? 5: _entity_src_gen.gene_src_tissue ? 5: _entity_src_gen.gene_src_tissue_fraction ? 5: _entity_src_gen.gene_src_details ? 5: _entity_src_gen.pdbx_gene_src_fragment ? 5: _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' 5: _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 5: _entity_src_gen.pdbx_gene_src_variant ? 5: _entity_src_gen.pdbx_gene_src_cell_line BL21 5: _entity_src_gen.pdbx_gene_src_atcc ? 5: _entity_src_gen.pdbx_gene_src_organ ? 5: _entity_src_gen.pdbx_gene_src_organelle ? 5: _entity_src_gen.pdbx_gene_src_cell ? 5: _entity_src_gen.pdbx_gene_src_cellular_location ? 5: _entity_src_gen.host_org_common_name ? 5: _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' 5: _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 5: _entity_src_gen.host_org_genus Escherichia 5: _entity_src_gen.pdbx_host_org_gene ? 5: _entity_src_gen.pdbx_host_org_organ ? 5: _entity_src_gen.host_org_species 'Escherichia coli' 5: _entity_src_gen.pdbx_host_org_tissue ? 5: _entity_src_gen.pdbx_host_org_tissue_fraction ? 5: _entity_src_gen.pdbx_host_org_strain 'BL21 (DE3)' 5: _entity_src_gen.pdbx_host_org_variant ? 5: _entity_src_gen.pdbx_host_org_cell_line ? 5: _entity_src_gen.pdbx_host_org_atcc ? 5: _entity_src_gen.pdbx_host_org_culture_collection ? 5: _entity_src_gen.pdbx_host_org_cell ? 5: _entity_src_gen.pdbx_host_org_organelle ? 5: _entity_src_gen.pdbx_host_org_cellular_location ? 5: _entity_src_gen.pdbx_host_org_vector_type ? 5: _entity_src_gen.pdbx_host_org_vector ? 5: _entity_src_gen.host_org_details ? 5: _entity_src_gen.expression_system_id ? 5: _entity_src_gen.plasmid_name PET-3A 5: _entity_src_gen.plasmid_details ? 5: _entity_src_gen.pdbx_description ? 5: # 5: _entity_poly.entity_id 1 5: _entity_poly.type polypeptide(L) 5: _entity_poly.nstd_linkage no 5: _entity_poly.nstd_monomer no 5: _entity_poly.pdbx_seq_one_letter_code 5: ;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP 5: CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE 5: ; 5: _entity_poly.pdbx_seq_one_letter_code_can 5: ;PNFSGNWKIIRSENFEELLKVLGVNVMLRKIAVAAASKPAVEIKQEGDTFYIKTSTTVRTTEINFKVGEEFEEQTVDGRP 5: CKSLVKWESENKMVCEQKLLKGEGPKTSWTRELTNDGELILTMTADDVVCTRVYVRE 5: ; 5: _entity_poly.pdbx_strand_id A 5: _entity_poly.pdbx_target_identifier ? 5: # 5: _diffrn_radiation_wavelength.id 1 5: _diffrn_radiation_wavelength.wavelength . 5: _diffrn_radiation_wavelength.wt 1.0 5: # 5: _database_PDB_matrix.entry_id 1CBS 5: _database_PDB_matrix.origx[1][1] 1.000000 5: _database_PDB_matrix.origx[1][2] 0.000000 5: _database_PDB_matrix.origx[1][3] 0.000000 5: _database_PDB_matrix.origx[2][1] 0.000000 5: _database_PDB_matrix.origx[2][2] 1.000000 5: _database_PDB_matrix.origx[2][3] 0.000000 5: _database_PDB_matrix.origx[3][1] 0.000000 5: _database_PDB_matrix.origx[3][2] 0.000000 5: _database_PDB_matrix.origx[3][3] 1.000000 5: _database_PDB_matrix.origx_vector[1] 0.00000 5: _database_PDB_matrix.origx_vector[2] 0.00000 5: _database_PDB_matrix.origx_vector[3] 0.00000 5: # 5: loop_ 5: _database_2.database_id 5: _database_2.database_code 5: PDB 1CBS 5: WWPDB D_1000172215 5: # 5: loop_ 5: _citation.id 5: _citation.title 5: _citation.journal_abbrev 5: _citation.journal_volume 5: _citation.page_first 5: _citation.page_last 5: _citation.year 5: _citation.journal_id_ASTM 5: _citation.country 5: _citation.journal_id_ISSN 5: _citation.journal_id_CSD 5: _citation.book_publisher 5: _citation.pdbx_database_id_PubMed 5: _citation.pdbx_database_id_DOI 5: primary 5: ;Crystal structures of cellular retinoic acid binding proteins I and II in complex with all-trans-retinoic acid and a synthetic retinoid. 5: ; 5: Structure 2 1241 1258 1994 STRUE6 UK 0969-2126 2005 ? 7704533 10.1016/S0969-2126(94)00125-1 5: 1 'Lipid-Binding Proteins: A Family of Fatty Acid and Retinoid Transport Proteins' 5: 'Adv.Protein Chem.' 45 89 ? 1994 APCHA2 US 0065-3233 0433 ? ? ? 5: 2 'Crystallisation and Preliminary X-Ray Analysis of Recombinant Bovine Cellular Retinoic Acid-Binding Protein' 5: 'Acta Crystallogr.,Sect.D' 50 370 ? 1994 ABCRE6 DK 0907-4449 0766 ? ? ? 5: 3 5: ;Crystallographic Studies on a Family of Lipophilic Transport Proteins. Refinement of P2 Myelin Protein and the Structure Determination and Refinement of Cellular Retinol-Binding Protein in Complex with All-Trans-Retinol 5: ; 5: J.Mol.Biol. 230 1225 ? 1993 JMOBAK UK 0022-2836 0070 ? ? ? 5: 4 'The Three-Dimensional Structure of P2 Myelin Protein' 5: 'Embo J.' 7 1597 ? 1988 EMJODG UK 0261-4189 0897 ? ? ? 5: # 5: loop_ 5: _chem_comp.id 5: _chem_comp.type 5: _chem_comp.mon_nstd_flag 5: _chem_comp.name 5: _chem_comp.pdbx_synonyms 5: _chem_comp.formula 5: _chem_comp.formula_weight 5: ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 5: ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 5: ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 5: ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 5: CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 5: GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 5: GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 5: GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 5: HOH non-polymer . WATER ? 'H2 O' 18.015 5: ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 5: LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 5: LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 5: MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 5: PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 5: PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 5: SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 5: THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 5: TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 5: TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 5: VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 5: RXA NON-POLYMER ? 'RENAMED RETINOIC ACID' ? 'C20 H28 O2' 300.435 5: # 5: _cell.entry_id 1CBS 5: _cell.length_a 45.650 5: _cell.length_b 47.560 5: _cell.length_c 77.610 5: _cell.angle_alpha 90.00 5: _cell.angle_beta 90.00 5: _cell.angle_gamma 90.00 5: _cell.Z_PDB 4 5: _cell.pdbx_unique_axis ? 5: # 5: loop_ 5: _audit_author.name 5: _audit_author.pdbx_ordinal 5: 'Kleywegt, G.J.' 1 5: 'Bergfors, T.' 2 5: 'Jones, T.A.' 3 5: # 5: loop_ 5: _atom_type.symbol 5: C 5: N 5: O 5: S 5: # 5: _atom_sites.entry_id 1CBS 5: _atom_sites.fract_transf_matrix[1][1] 0.021906 5: _atom_sites.fract_transf_matrix[1][2] 0.000000 5: _atom_sites.fract_transf_matrix[1][3] 0.000000 5: _atom_sites.fract_transf_matrix[2][1] 0.000000 5: _atom_sites.fract_transf_matrix[2][2] 0.021026 5: _atom_sites.fract_transf_matrix[2][3] 0.000000 5: _atom_sites.fract_transf_matrix[3][1] 0.000000 5: _atom_sites.fract_transf_matrix[3][2] 0.000000 5: _atom_sites.fract_transf_matrix[3][3] 0.012885 5: _atom_sites.fract_transf_vector[1] 0.00000 5: _atom_sites.fract_transf_vector[2] 0.00000 5: _atom_sites.fract_transf_vector[3] 0.00000 5: # 5: loop_ 5: _software.name 5: _software.classification 5: _software.version 5: _software.citation_id 5: _software.pdbx_ordinal 5: X-PLOR 'model building' . ? 1 5: X-PLOR refinement . ? 2 5: X-PLOR phasing . ? 3 5: # 5: loop_ 5: _refine_ls_restr.type 5: _refine_ls_restr.dev_ideal 5: _refine_ls_restr.dev_ideal_target 5: _refine_ls_restr.weight 5: _refine_ls_restr.number 5: _refine_ls_restr.pdbx_refine_id 5: _refine_ls_restr.pdbx_restraint_function 5: x_bond_d 0.010 ? ? ? 'X-RAY DIFFRACTION' ? 5: x_bond_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_bond_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_d ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_deg 1.51 ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_deg_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_angle_deg_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_dihedral_angle_d 27.4 ? ? ? 'X-RAY DIFFRACTION' ? 5: x_dihedral_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_dihedral_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_improper_angle_d 1.32 ? ? ? 'X-RAY DIFFRACTION' ? 5: x_improper_angle_d_na ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_improper_angle_d_prot ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? 5: x_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? 5: # 5: _refine_analyze.entry_id 1CBS 5: _refine_analyze.Luzzati_coordinate_error_obs 0.2 5: _refine_analyze.Luzzati_sigma_a_obs ? 5: _refine_analyze.Luzzati_d_res_low_obs ? 5: _refine_analyze.Luzzati_coordinate_error_free ? 5: _refine_analyze.Luzzati_sigma_a_free ? 5: _refine_analyze.Luzzati_d_res_low_free ? 5: _refine_analyze.number_disordered_residues ? 5: _refine_analyze.occupancy_sum_hydrogen ? 5: _refine_analyze.occupancy_sum_non_hydrogen ? 5: _refine_analyze.pdbx_refine_id 'X-RAY DIFFRACTION' 5: # 5: _pdbx_struct_assembly_gen.assembly_id 1 5: _pdbx_struct_assembly_gen.oper_expression 1 5: _pdbx_struct_assembly_gen.asym_id_list A,B,C 5: # 5: loop_ 5: _pdbx_audit_revision_group.ordinal 5: _pdbx_audit_revision_group.revision_ordinal 5: _pdbx_audit_revision_group.data_content_type 5: _pdbx_audit_revision_group.group 5: 1 2 'Structure model' 'Version format compliance' 5: 2 3 'Structure model' 'Version format compliance' 5: # 5: _pdbx_audit_revision_details.ordinal 1 5: _pdbx_audit_revision_details.revision_ordinal 1 5: _pdbx_audit_revision_details.data_content_type 'Structure model' 5: _pdbx_audit_revision_details.provider repository 5: _pdbx_audit_revision_details.type 'Initial release' 5: _pdbx_audit_revision_details.description ? 5: # 5: _diffrn.id 1 5: _diffrn.ambient_temp ? 5: _diffrn.ambient_temp_details ? 5: _diffrn.crystal_id 1 5: # 5: loop_ 5: _citation_author.citation_id 5: _citation_author.name 5: _citation_author.ordinal 5: primary 'Kleywegt, G.J.' 1 5: primary 'Bergfors, T.' 2 5: primary 'Senn, H.' 3 5: primary 'Le Motte, P.' 4 5: primary 'Gsell, B.' 5 5: primary 'Shudo, K.' 6 5: primary 'Jones, T.A.' 7 5: 1 'Banaszak, L.' 8 5: 1 'Winter, N.' 9 5: 1 'Xu, Z.' 10 5: 1 'Bernlohr, D.A.' 11 5: 1 'Cowan, S.W.' 12 5: 1 'Jones, T.A.' 13 5: 2 'Bergfors, T.' 14 5: 2 'Kleywegt, G.J.' 15 5: 2 'Jones, T.A.' 16 5: 3 'Cowan, S.W.' 17 5: 3 'Newcomer, M.E.' 18 5: 3 'Jones, T.A.' 19 5: 4 'Jones, T.A.' 20 5: 4 'Bergfors, T.' 21 5: 4 'Sedzik, J.' 22 5: 4 'Unge, T.' 23 5: # 5: _reflns.entry_id 1CBS 5: _reflns.observed_criterion_sigma_I 3. 5: _reflns.observed_criterion_sigma_F ? 5: _reflns.d_resolution_low ? 5: _reflns.d_resolution_high ? 5: _reflns.number_obs 14678 5: _reflns.number_all ? 5: _reflns.percent_possible_obs 90.3 5: _reflns.pdbx_Rmerge_I_obs ? 5: _reflns.pdbx_Rsym_value ? 5: _reflns.pdbx_netI_over_sigmaI ? 5: _reflns.B_iso_Wilson_estimate ? 5: _reflns.pdbx_redundancy ? 5: _reflns.pdbx_diffrn_id 1 5: _reflns.pdbx_ordinal 1 5: _reflns.pdbx_signal_software_id ? 5: # 5: loop_ 5: _entity_poly_seq.entity_id 5: _entity_poly_seq.num 5: _entity_poly_seq.mon_id 5: _entity_poly_seq.hetero 5: 1 1 PRO n 5: 1 2 ASN n 5: 1 3 PHE n 5: 1 4 SER n 5: 1 5 GLY n 5: 1 6 ASN n 5: 1 7 TRP n 5: 1 8 LYS n 5: 1 9 ILE n 5: 1 10 ILE n 5: 1 11 ARG n 5: 1 12 SER n 5: 1 13 GLU n 5: 1 14 ASN n 5: 1 15 PHE n 5: 1 16 GLU n 5: 1 17 GLU n 5: 1 18 LEU n 5: 1 19 LEU n 5: 1 20 LYS n 5: 1 21 VAL n 5: 1 22 LEU n 5: 1 23 GLY n 5: 1 24 VAL n 5: 1 25 ASN n 5: 1 26 VAL n 5: 1 27 MET n 5: 1 28 LEU n 5: 1 29 ARG n 5: 1 30 LYS n 5: 1 31 ILE n 5: 1 32 ALA n 5: 1 33 VAL n 5: 1 34 ALA n 5: 1 35 ALA n 5: 1 36 ALA n 5: 1 37 SER n 5: 1 38 LYS n 5: 1 39 PRO n 5: 1 40 ALA n 5: 1 41 VAL n 5: 1 42 GLU n 5: 1 43 ILE n 5: 1 44 LYS n 5: 1 45 GLN n 5: 1 46 GLU n 5: 1 47 GLY n 5: 1 48 ASP n 5: 1 49 THR n 5: 1 50 PHE n 5: 1 51 TYR n 5: 1 52 ILE n 5: 1 53 LYS n 5: 1 54 THR n 5: 1 55 SER n 5: 1 56 THR n 5: 1 57 THR n 5: 1 58 VAL n 5: 1 59 ARG n 5: 1 60 THR n 5: 1 61 THR n 5: 1 62 GLU n 5: 1 63 ILE n 5: 1 64 ASN n 5: 1 65 PHE n 5: 1 66 LYS n 5: 1 67 VAL n 5: 1 68 GLY n 5: 1 69 GLU n 5: 1 70 GLU n 5: 1 71 PHE n 5: 1 72 GLU n 5: 1 73 GLU n 5: 1 74 GLN n 5: 1 75 THR n 5: 1 76 VAL n 5: 1 77 ASP n 5: 1 78 GLY n 5: 1 79 ARG n 5: 1 80 PRO n 5: 1 81 CYS n 5: 1 82 LYS n 5: 1 83 SER n 5: 1 84 LEU n 5: 1 85 VAL n 5: 1 86 LYS n 5: 1 87 TRP n 5: 1 88 GLU n 5: 1 89 SER n 5: 1 90 GLU n 5: 1 91 ASN n 5: 1 92 LYS n 5: 1 93 MET n 5: 1 94 VAL n 5: 1 95 CYS n 5: 1 96 GLU n 5: 1 97 GLN n 5: 1 98 LYS n 5: 1 99 LEU n 5: 1 100 LEU n 5: 1 101 LYS n 5: 1 102 GLY n 5: 1 103 GLU n 5: 1 104 GLY n 5: 1 105 PRO n 5: 1 106 LYS n 5: 1 107 THR n 5: 1 108 SER n 5: 1 109 TRP n 5: 1 110 THR n 5: 1 111 ARG n 5: 1 112 GLU n 5: 1 113 LEU n 5: 1 114 THR n 5: 1 115 ASN n 5: 1 116 ASP n 5: 1 117 GLY n 5: 1 118 GLU n 5: 1 119 LEU n 5: 1 120 ILE n 5: 1 121 LEU n 5: 1 122 THR n 5: 1 123 MET n 5: 1 124 THR n 5: 1 125 ALA n 5: 1 126 ASP n 5: 1 127 ASP n 5: 1 128 VAL n 5: 1 129 VAL n 5: 1 130 CYS n 5: 1 131 THR n 5: 1 132 ARG n 5: 1 133 VAL n 5: 1 134 TYR n 5: 1 135 VAL n 5: 1 136 ARG n 5: 1 137 GLU n 5: # 5: _diffrn_radiation.diffrn_id 1 5: _diffrn_radiation.wavelength_id 1 5: _diffrn_radiation.pdbx_monochromatic_or_laue_m_l ? 5: _diffrn_radiation.monochromator ? 5: _diffrn_radiation.pdbx_diffrn_protocol ? 5: _diffrn_radiation.pdbx_scattering_type x-ray 5: # 5: loop_ 5: _pdbx_poly_seq_scheme.asym_id 5: _pdbx_poly_seq_scheme.entity_id 5: _pdbx_poly_seq_scheme.seq_id 5: _pdbx_poly_seq_scheme.mon_id 5: _pdbx_poly_seq_scheme.ndb_seq_num 5: _pdbx_poly_seq_scheme.pdb_seq_num 5: _pdbx_poly_seq_scheme.auth_seq_num 5: _pdbx_poly_seq_scheme.pdb_mon_id 5: _pdbx_poly_seq_scheme.auth_mon_id 5: _pdbx_poly_seq_scheme.pdb_strand_id 5: _pdbx_poly_seq_scheme.pdb_ins_code 5: _pdbx_poly_seq_scheme.hetero 5: A 1 1 PRO 1 1 1 PRO PRO A . n 5: A 1 2 ASN 2 2 2 ASN ASN A . n 5: A 1 3 PHE 3 3 3 PHE PHE A . n 5: A 1 4 SER 4 4 4 SER SER A . n 5: A 1 5 GLY 5 5 5 GLY GLY A . n 5: A 1 6 ASN 6 6 6 ASN ASN A . n 5: A 1 7 TRP 7 7 7 TRP TRP A . n 5: A 1 8 LYS 8 8 8 LYS LYS A . n 5: A 1 9 ILE 9 9 9 ILE ILE A . n 5: A 1 10 ILE 10 10 10 ILE ILE A . n 5: A 1 11 ARG 11 11 11 ARG ARG A . n 5: A 1 12 SER 12 12 12 SER SER A . n 5: A 1 13 GLU 13 13 13 GLU GLU A . n 5: A 1 14 ASN 14 14 14 ASN ASN A . n 5: A 1 15 PHE 15 15 15 PHE PHE A . n 5: A 1 16 GLU 16 16 16 GLU GLU A . n 5: A 1 17 GLU 17 17 17 GLU GLU A . n 5: A 1 18 LEU 18 18 18 LEU LEU A . n 5: A 1 19 LEU 19 19 19 LEU LEU A . n 5: A 1 20 LYS 20 20 20 LYS LYS A . n 5: A 1 21 VAL 21 21 21 VAL VAL A . n 5: A 1 22 LEU 22 22 22 LEU LEU A . n 5: A 1 23 GLY 23 23 23 GLY GLY A . n 5: A 1 24 VAL 24 24 24 VAL VAL A . n 5: A 1 25 ASN 25 25 25 ASN ASN A . n 5: A 1 26 VAL 26 26 26 VAL VAL A . n 5: A 1 27 MET 27 27 27 MET MET A . n 5: A 1 28 LEU 28 28 28 LEU LEU A . n 5: A 1 29 ARG 29 29 29 ARG ARG A . n 5: A 1 30 LYS 30 30 30 LYS LYS A . n 5: A 1 31 ILE 31 31 31 ILE ILE A . n 5: A 1 32 ALA 32 32 32 ALA ALA A . n 5: A 1 33 VAL 33 33 33 VAL VAL A . n 5: A 1 34 ALA 34 34 34 ALA ALA A . n 5: A 1 35 ALA 35 35 35 ALA ALA A . n 5: A 1 36 ALA 36 36 36 ALA ALA A . n 5: A 1 37 SER 37 37 37 SER SER A . n 5: A 1 38 LYS 38 38 38 LYS LYS A . n 5: A 1 39 PRO 39 39 39 PRO PRO A . n 5: A 1 40 ALA 40 40 40 ALA ALA A . n 5: A 1 41 VAL 41 41 41 VAL VAL A . n 5: A 1 42 GLU 42 42 42 GLU GLU A . n 5: A 1 43 ILE 43 43 43 ILE ILE A . n 5: A 1 44 LYS 44 44 44 LYS LYS A . n 5: A 1 45 GLN 45 45 45 GLN GLN A . n 5: A 1 46 GLU 46 46 46 GLU GLU A . n 5: A 1 47 GLY 47 47 47 GLY GLY A . n 5: A 1 48 ASP 48 48 48 ASP ASP A . n 5: A 1 49 THR 49 49 49 THR THR A . n 5: A 1 50 PHE 50 50 50 PHE PHE A . n 5: A 1 51 TYR 51 51 51 TYR TYR A . n 5: A 1 52 ILE 52 52 52 ILE ILE A . n 5: A 1 53 LYS 53 53 53 LYS LYS A . n 5: A 1 54 THR 54 54 54 THR THR A . n 5: A 1 55 SER 55 55 55 SER SER A . n 5: A 1 56 THR 56 56 56 THR THR A . n 5: A 1 57 THR 57 57 57 THR THR A . n 5: A 1 58 VAL 58 58 58 VAL VAL A . n 5: A 1 59 ARG 59 59 59 ARG ARG A . n 5: A 1 60 THR 60 60 60 THR THR A . n 5: A 1 61 THR 61 61 61 THR THR A . n 5: A 1 62 GLU 62 62 62 GLU GLU A . n 5: A 1 63 ILE 63 63 63 ILE ILE A . n 5: A 1 64 ASN 64 64 64 ASN ASN A . n 5: A 1 65 PHE 65 65 65 PHE PHE A . n 5: A 1 66 LYS 66 66 66 LYS LYS A . n 5: A 1 67 VAL 67 67 67 VAL VAL A . n 5: A 1 68 GLY 68 68 68 GLY GLY A . n 5: A 1 69 GLU 69 69 69 GLU GLU A . n 5: A 1 70 GLU 70 70 70 GLU GLU A . n 5: A 1 71 PHE 71 71 71 PHE PHE A . n 5: A 1 72 GLU 72 72 72 GLU GLU A . n 5: A 1 73 GLU 73 73 73 GLU GLU A . n 5: A 1 74 GLN 74 74 74 GLN GLN A . n 5: A 1 75 THR 75 75 75 THR THR A . n 5: A 1 76 VAL 76 76 76 VAL VAL A . n 5: A 1 77 ASP 77 77 77 ASP ASP A . n 5: A 1 78 GLY 78 78 78 GLY GLY A . n 5: A 1 79 ARG 79 79 79 ARG ARG A . n 5: A 1 80 PRO 80 80 80 PRO PRO A . n 5: A 1 81 CYS 81 81 81 CYS CYS A . n 5: A 1 82 LYS 82 82 82 LYS LYS A . n 5: A 1 83 SER 83 83 83 SER SER A . n 5: A 1 84 LEU 84 84 84 LEU LEU A . n 5: A 1 85 VAL 85 85 85 VAL VAL A . n 5: A 1 86 LYS 86 86 86 LYS LYS A . n 5: A 1 87 TRP 87 87 87 TRP TRP A . n 5: A 1 88 GLU 88 88 88 GLU GLU A . n 5: A 1 89 SER 89 89 89 SER SER A . n 5: A 1 90 GLU 90 90 90 GLU GLU A . n 5: A 1 91 ASN 91 91 91 ASN ASN A . n 5: A 1 92 LYS 92 92 92 LYS LYS A . n 5: A 1 93 MET 93 93 93 MET MET A . n 5: A 1 94 VAL 94 94 94 VAL VAL A . n 5: A 1 95 CYS 95 95 95 CYS CYS A . n 5: A 1 96 GLU 96 96 96 GLU GLU A . n 5: A 1 97 GLN 97 97 97 GLN GLN A . n 5: A 1 98 LYS 98 98 98 LYS LYS A . n 5: A 1 99 LEU 99 99 99 LEU LEU A . n 5: A 1 100 LEU 100 100 100 LEU LEU A . n 5: A 1 101 LYS 101 101 101 LYS LYS A . n 5: A 1 102 GLY 102 102 102 GLY GLY A . n 5: A 1 103 GLU 103 103 103 GLU GLU A . n 5: A 1 104 GLY 104 104 104 GLY GLY A . n 5: A 1 105 PRO 105 105 105 PRO PRO A . n 5: A 1 106 LYS 106 106 106 LYS LYS A . n 5: A 1 107 THR 107 107 107 THR THR A . n 5: A 1 108 SER 108 108 108 SER SER A . n 5: A 1 109 TRP 109 109 109 TRP TRP A . n 5: A 1 110 THR 110 110 110 THR THR A . n 5: A 1 111 ARG 111 111 111 ARG ARG A . n 5: A 1 112 GLU 112 112 112 GLU GLU A . n 5: A 1 113 LEU 113 113 113 LEU LEU A . n 5: A 1 114 THR 114 114 114 THR THR A . n 5: A 1 115 ASN 115 115 115 ASN ASN A . n 5: A 1 116 ASP 116 116 116 ASP ASP A . n 5: A 1 117 GLY 117 117 117 GLY GLY A . n 5: A 1 118 GLU 118 118 118 GLU GLU A . n 5: A 1 119 LEU 119 119 119 LEU LEU A . n 5: A 1 120 ILE 120 120 120 ILE ILE A . n 5: A 1 121 LEU 121 121 121 LEU LEU A . n 5: A 1 122 THR 122 122 122 THR THR A . n 5: A 1 123 MET 123 123 123 MET MET A . n 5: A 1 124 THR 124 124 124 THR THR A . n 5: A 1 125 ALA 125 125 125 ALA ALA A . n 5: A 1 126 ASP 126 126 126 ASP ASP A . n 5: A 1 127 ASP 127 127 127 ASP ASP A . n 5: A 1 128 VAL 128 128 128 VAL VAL A . n 5: A 1 129 VAL 129 129 129 VAL VAL A . n 5: A 1 130 CYS 130 130 130 CYS CYS A . n 5: A 1 131 THR 131 131 131 THR THR A . n 5: A 1 132 ARG 132 132 132 ARG ARG A . n 5: A 1 133 VAL 133 133 133 VAL VAL A . n 5: A 1 134 TYR 134 134 134 TYR TYR A . n 5: A 1 135 VAL 135 135 135 VAL VAL A . n 5: A 1 136 ARG 136 136 136 ARG ARG A . n 5: A 1 137 GLU 137 137 137 GLU GLU A . n 5: # 5: loop_ 5: _atom_site.group_PDB 5: _atom_site.id 5: _atom_site.type_symbol 5: _atom_site.label_atom_id 5: _atom_site.label_alt_id 5: _atom_site.label_comp_id 5: _atom_site.label_asym_id 5: _atom_site.label_entity_id 5: _atom_site.label_seq_id 5: _atom_site.pdbx_PDB_ins_code 5: _atom_site.Cartn_x 5: _atom_site.Cartn_y 5: _atom_site.Cartn_z 5: _atom_site.occupancy 5: _atom_site.B_iso_or_equiv 5: _atom_site.pdbx_formal_charge 5: _atom_site.auth_seq_id 5: _atom_site.auth_comp_id 5: _atom_site.auth_asym_id 5: _atom_site.auth_atom_id 5: _atom_site.pdbx_PDB_model_num 5: ATOM 1 N N . PRO A 1 1 ? 16.979 13.301 44.555 1.00 30.05 ? 1 PRO A N 1 5: ATOM 2 C CA . PRO A 1 1 ? 18.150 13.525 43.680 1.00 28.82 ? 1 PRO A CA 1 5: ATOM 3 C C . PRO A 1 1 ? 18.656 14.966 43.784 1.00 26.59 ? 1 PRO A C 1 5: ATOM 4 O O . PRO A 1 1 ? 17.890 15.889 44.078 1.00 26.84 ? 1 PRO A O 1 5: ATOM 5 C CB . PRO A 1 1 ? 17.678 13.270 42.255 1.00 29.24 ? 1 PRO A CB 1 5: ATOM 6 C CG . PRO A 1 1 ? 16.248 13.734 42.347 1.00 29.29 ? 1 PRO A CG 1 5: ATOM 7 C CD . PRO A 1 1 ? 15.762 13.216 43.724 1.00 30.71 ? 1 PRO A CD 1 5: ATOM 8 N N . ASN A 1 2 ? 19.957 15.139 43.558 1.00 24.04 ? 2 ASN A N 1 5: ATOM 9 C CA . ASN A 1 2 ? 20.576 16.457 43.578 1.00 20.79 ? 2 ASN A CA 1 5: ATOM 10 C C . ASN A 1 2 ? 21.301 16.714 42.262 1.00 16.75 ? 2 ASN A C 1 5: ATOM 11 O O . ASN A 1 2 ? 22.402 16.215 42.028 1.00 15.23 ? 2 ASN A O 1 5: ATOM 12 C CB . ASN A 1 2 ? 21.559 16.620 44.724 1.00 22.81 ? 2 ASN A CB 1 5: ATOM 13 C CG . ASN A 1 2 ? 22.240 17.968 44.685 1.00 24.29 ? 2 ASN A CG 1 5: ATOM 14 O OD1 . ASN A 1 2 ? 21.612 18.984 44.358 1.00 21.87 ? 2 ASN A OD1 1 5: ATOM 15 N ND2 . ASN A 1 2 ? 23.537 17.983 44.966 1.00 27.94 ? 2 ASN A ND2 1 5: ATOM 16 N N . PHE A 1 3 ? 20.637 17.477 41.402 1.00 14.69 ? 3 PHE A N 1 5: ATOM 17 C CA . PHE A 1 3 ? 21.144 17.838 40.087 1.00 12.62 ? 3 PHE A CA 1 5: ATOM 18 C C . PHE A 1 3 ? 22.152 18.987 40.140 1.00 12.43 ? 3 PHE A C 1 5: ATOM 19 O O . PHE A 1 3 ? 22.796 19.289 39.136 1.00 12.12 ? 3 PHE A O 1 5: ATOM 20 C CB . PHE A 1 3 ? 19.970 18.262 39.188 1.00 10.74 ? 3 PHE A CB 1 5: ATOM 21 C CG . PHE A 1 3 ? 19.073 17.128 38.750 1.00 11.85 ? 3 PHE A CG 1 5: ATOM 22 C CD1 . PHE A 1 3 ? 18.066 16.646 39.581 1.00 10.90 ? 3 PHE A CD1 1 5: ATOM 23 C CD2 . PHE A 1 3 ? 19.189 16.588 37.475 1.00 13.26 ? 3 PHE A CD2 1 5: ATOM 24 C CE1 . PHE A 1 3 ? 17.200 15.662 39.149 1.00 9.12 ? 3 PHE A CE1 1 5: ATOM 25 C CE2 . PHE A 1 3 ? 18.312 15.594 37.041 1.00 11.76 ? 3 PHE A CE2 1 5: ATOM 26 C CZ . PHE A 1 3 ? 17.324 15.137 37.878 1.00 10.30 ? 3 PHE A CZ 1 5: ATOM 27 N N . SER A 1 4 ? 22.282 19.630 41.299 1.00 11.24 ? 4 SER A N 1 5: ATOM 28 C CA . SER A 1 4 ? 23.170 20.780 41.464 1.00 11.30 ? 4 SER A CA 1 5: ATOM 29 C C . SER A 1 4 ? 24.627 20.568 41.091 1.00 10.39 ? 4 SER A C 1 5: ATOM 30 O O . SER A 1 4 ? 25.201 19.532 41.384 1.00 10.24 ? 4 SER A O 1 5: ATOM 31 C CB . SER A 1 4 ? 23.112 21.301 42.906 1.00 13.53 ? 4 SER A CB 1 5: ATOM 32 O OG . SER A 1 4 ? 21.821 21.787 43.240 1.00 16.76 ? 4 SER A OG 1 5: ATOM 33 N N . GLY A 1 5 ? 25.224 21.572 40.460 1.00 9.87 ? 5 GLY A N 1 5: ATOM 34 C CA . GLY A 1 5 ? 26.628 21.486 40.103 1.00 10.86 ? 5 GLY A CA 1 5: ATOM 35 C C . GLY A 1 5 ? 26.985 22.158 38.794 1.00 11.21 ? 5 GLY A C 1 5: ATOM 36 O O . GLY A 1 5 ? 26.123 22.761 38.142 1.00 9.91 ? 5 GLY A O 1 5: ATOM 37 N N . ASN A 1 6 ? 28.277 22.142 38.475 1.00 10.41 ? 6 ASN A N 1 5: ATOM 38 C CA . ASN A 1 6 ? 28.796 22.676 37.211 1.00 11.06 ? 6 ASN A CA 1 5: ATOM 39 C C . ASN A 1 6 ? 29.117 21.435 36.378 1.00 10.33 ? 6 ASN A C 1 5: ATOM 40 O O . ASN A 1 6 ? 29.947 20.603 36.754 1.00 11.28 ? 6 ASN A O 1 5: ATOM 41 C CB . ASN A 1 6 ? 30.023 23.548 37.445 1.00 12.95 ? 6 ASN A CB 1 5: ATOM 42 C CG . ASN A 1 6 ? 29.675 24.816 38.200 1.00 18.08 ? 6 ASN A CG 1 5: ATOM 43 O OD1 . ASN A 1 6 ? 29.022 25.708 37.665 1.00 19.52 ? 6 ASN A OD1 1 5: ATOM 44 N ND2 . ASN A 1 6 ? 30.047 24.872 39.467 1.00 21.23 ? 6 ASN A ND2 1 5: ATOM 45 N N . TRP A 1 7 ? 28.399 21.289 35.272 1.00 8.66 ? 7 TRP A N 1 5: ATOM 46 C CA . TRP A 1 7 ? 28.518 20.119 34.424 1.00 8.74 ? 7 TRP A CA 1 5: ATOM 47 C C . TRP A 1 7 ? 29.246 20.352 33.092 1.00 9.63 ? 7 TRP A C 1 5: ATOM 48 O O . TRP A 1 7 ? 29.064 21.389 32.440 1.00 9.45 ? 7 TRP A O 1 5: ATOM 49 C CB . TRP A 1 7 ? 27.115 19.563 34.152 1.00 8.00 ? 7 TRP A CB 1 5: ATOM 50 C CG . TRP A 1 7 ? 26.325 19.198 35.391 1.00 8.01 ? 7 TRP A CG 1 5: ATOM 51 C CD1 . TRP A 1 7 ? 25.556 20.031 36.159 1.00 8.29 ? 7 TRP A CD1 1 5: ATOM 52 C CD2 . TRP A 1 7 ? 26.174 17.885 35.947 1.00 7.60 ? 7 TRP A CD2 1 5: ATOM 53 N NE1 . TRP A 1 7 ? 24.922 19.308 37.156 1.00 9.20 ? 7 TRP A NE1 1 5: ATOM 54 C CE2 . TRP A 1 7 ? 25.286 17.987 37.046 1.00 8.73 ? 7 TRP A CE2 1 5: ATOM 55 C CE3 . TRP A 1 7 ? 26.694 16.625 35.618 1.00 6.99 ? 7 TRP A CE3 1 5: ATOM 56 C CZ2 . TRP A 1 7 ? 24.909 16.876 37.815 1.00 7.67 ? 7 TRP A CZ2 1 5: ATOM 57 C CZ3 . TRP A 1 7 ? 26.320 15.527 36.380 1.00 7.58 ? 7 TRP A CZ3 1 5: ATOM 58 C CH2 . TRP A 1 7 ? 25.433 15.663 37.468 1.00 5.92 ? 7 TRP A CH2 1 5: ATOM 59 N N . LYS A 1 8 ? 30.052 19.368 32.702 1.00 9.39 ? 8 LYS A N 1 5: ATOM 60 C CA . LYS A 1 8 ? 30.802 19.424 31.450 1.00 11.56 ? 8 LYS A CA 1 5: ATOM 61 C C . LYS A 1 8 ? 30.342 18.243 30.611 1.00 10.56 ? 8 LYS A C 1 5: ATOM 62 O O . LYS A 1 8 ? 30.091 17.158 31.138 1.00 10.14 ? 8 LYS A O 1 5: ATOM 63 C CB . LYS A 1 8 ? 32.308 19.360 31.710 1.00 15.20 ? 8 LYS A CB 1 5: ATOM 64 C CG . LYS A 1 8 ? 32.785 18.080 32.313 1.00 18.52 ? 8 LYS A CG 1 5: ATOM 65 C CD . LYS A 1 8 ? 34.263 18.182 32.618 1.00 26.26 ? 8 LYS A CD 1 5: ATOM 66 C CE . LYS A 1 8 ? 35.091 18.499 31.378 1.00 29.22 ? 8 LYS A CE 1 5: ATOM 67 N NZ . LYS A 1 8 ? 35.067 17.393 30.369 1.00 32.48 ? 8 LYS A NZ 1 5: ATOM 68 N N . ILE A 1 9 ? 30.222 18.447 29.308 1.00 8.21 ? 9 ILE A N 1 5: ATOM 69 C CA . ILE A 1 9 ? 29.739 17.384 28.441 1.00 8.08 ? 9 ILE A CA 1 5: ATOM 70 C C . ILE A 1 9 ? 30.798 16.325 28.117 1.00 7.86 ? 9 ILE A C 1 5: ATOM 71 O O . ILE A 1 9 ? 31.990 16.635 28.028 1.00 8.38 ? 9 ILE A O 1 5: ATOM 72 C CB . ILE A 1 9 ? 29.148 17.997 27.144 1.00 10.70 ? 9 ILE A CB 1 5: ATOM 73 C CG1 . ILE A 1 9 ? 28.285 16.981 26.401 1.00 10.95 ? 9 ILE A CG1 1 5: ATOM 74 C CG2 . ILE A 1 9 ? 30.261 18.500 26.243 1.00 10.70 ? 9 ILE A CG2 1 5: ATOM 75 C CD1 . ILE A 1 9 ? 27.586 17.597 25.207 1.00 13.23 ? 9 ILE A CD1 1 5: ATOM 76 N N . ILE A 1 10 ? 30.373 15.067 27.995 1.00 7.08 ? 10 ILE A N 1 5: ATOM 77 C CA . ILE A 1 10 ? 31.288 13.988 27.656 1.00 7.45 ? 10 ILE A CA 1 5: ATOM 78 C C . ILE A 1 10 ? 30.812 13.201 26.441 1.00 8.49 ? 10 ILE A C 1 5: ATOM 79 O O . ILE A 1 10 ? 31.561 12.397 25.892 1.00 9.49 ? 10 ILE A O 1 5: ATOM 80 C CB . ILE A 1 10 ? 31.586 13.023 28.847 1.00 10.28 ? 10 ILE A CB 1 5: ATOM 81 C CG1 . ILE A 1 10 ? 30.304 12.393 29.382 1.00 10.51 ? 10 ILE A CG1 1 5: ATOM 82 C CG2 . ILE A 1 10 ? 32.349 13.756 29.963 1.00 10.10 ? 10 ILE A CG2 1 5: ATOM 83 C CD1 . ILE A 1 10 ? 30.578 11.242 30.325 1.00 12.18 ? 10 ILE A CD1 1 5: ATOM 84 N N . ARG A 1 11 ? 29.566 13.419 26.030 1.00 7.59 ? 11 ARG A N 1 5: ATOM 85 C CA . ARG A 1 11 ? 29.015 12.742 24.851 1.00 8.70 ? 11 ARG A CA 1 5: ATOM 86 C C . ARG A 1 11 ? 27.821 13.500 24.290 1.00 9.41 ? 11 ARG A C 1 5: ATOM 87 O O . ARG A 1 11 ? 26.990 14.004 25.043 1.00 9.84 ? 11 ARG A O 1 5: ATOM 88 C CB . ARG A 1 11 ? 28.563 11.316 25.184 1.00 8.07 ? 11 ARG A CB 1 5: ATOM 89 C CG . ARG A 1 11 ? 27.912 10.616 23.998 1.00 12.26 ? 11 ARG A CG 1 5: ATOM 90 C CD . ARG A 1 11 ? 27.234 9.340 24.394 1.00 13.46 ? 11 ARG A CD 1 5: ATOM 91 N NE . ARG A 1 11 ? 28.157 8.304 24.847 1.00 15.44 ? 11 ARG A NE 1 5: ATOM 92 C CZ . ARG A 1 11 ? 28.815 7.470 24.037 1.00 19.59 ? 11 ARG A CZ 1 5: ATOM 93 N NH1 . ARG A 1 11 ? 28.677 7.559 22.714 1.00 19.40 ? 11 ARG A NH1 1 5: ATOM 94 N NH2 . ARG A 1 11 ? 29.521 6.467 24.547 1.00 17.50 ? 11 ARG A NH2 1 5: ATOM 95 N N . SER A 1 12 ? 27.748 13.594 22.965 1.00 8.84 ? 12 SER A N 1 5: ATOM 96 C CA . SER A 1 12 ? 26.621 14.245 22.310 1.00 8.61 ? 12 SER A CA 1 5: ATOM 97 C C . SER A 1 12 ? 26.278 13.431 21.063 1.00 9.48 ? 12 SER A C 1 5: ATOM 98 O O . SER A 1 12 ? 27.159 13.147 20.250 1.00 9.84 ? 12 SER A O 1 5: ATOM 99 C CB . SER A 1 12 ? 26.966 15.676 21.925 1.00 9.02 ? 12 SER A CB 1 5: ATOM 100 O OG . SER A 1 12 ? 25.863 16.285 21.273 1.00 11.97 ? 12 SER A OG 1 5: ATOM 101 N N . GLU A 1 13 ? 25.016 13.038 20.924 1.00 7.59 ? 13 GLU A N 1 5: ATOM 102 C CA . GLU A 1 13 ? 24.586 12.258 19.768 1.00 9.67 ? 13 GLU A CA 1 5: ATOM 103 C C . GLU A 1 13 ? 23.368 12.887 19.118 1.00 9.06 ? 13 GLU A C 1 5: ATOM 104 O O . GLU A 1 13 ? 22.457 13.343 19.815 1.00 7.34 ? 13 GLU A O 1 5: ATOM 105 C CB . GLU A 1 13 ? 24.185 10.833 20.184 1.00 9.72 ? 13 GLU A CB 1 5: ATOM 106 C CG . GLU A 1 13 ? 25.257 10.018 20.895 1.00 15.17 ? 13 GLU A CG 1 5: ATOM 107 C CD . GLU A 1 13 ? 26.262 9.340 19.954 1.00 18.75 ? 13 GLU A CD 1 5: ATOM 108 O OE1 . GLU A 1 13 ? 26.031 9.310 18.726 1.00 18.53 ? 13 GLU A OE1 1 5: ATOM 109 O OE2 . GLU A 1 13 ? 27.286 8.822 20.457 1.00 19.23 ? 13 GLU A OE2 1 5: ATOM 110 N N . ASN A 1 14 ? 23.363 12.919 17.786 1.00 8.79 ? 14 ASN A N 1 5: ATOM 111 C CA . ASN A 1 14 ? 22.202 13.408 17.025 1.00 8.29 ? 14 ASN A CA 1 5: ATOM 112 C C . ASN A 1 14 ? 21.813 14.896 17.153 1.00 7.35 ? 14 ASN A C 1 5: ATOM 113 O O . ASN A 1 14 ? 20.681 15.245 16.860 1.00 7.00 ? 14 ASN A O 1 5: ATOM 114 C CB . ASN A 1 14 ? 20.989 12.522 17.383 1.00 7.23 ? 14 ASN A CB 1 5: ATOM 115 C CG . ASN A 1 14 ? 20.358 11.833 16.172 1.00 9.38 ? 14 ASN A CG 1 5: ATOM 116 O OD1 . ASN A 1 14 ? 20.996 11.670 15.128 1.00 10.37 ? 14 ASN A OD1 1 5: ATOM 117 N ND2 . ASN A 1 14 ? 19.106 11.436 16.310 1.00 6.35 ? 14 ASN A ND2 1 5: ATOM 118 N N . PHE A 1 15 ? 22.734 15.777 17.536 1.00 7.26 ? 15 PHE A N 1 5: ATOM 119 C CA . PHE A 1 15 ? 22.385 17.198 17.681 1.00 9.06 ? 15 PHE A CA 1 5: ATOM 120 C C . PHE A 1 15 ? 22.041 17.878 16.358 1.00 9.15 ? 15 PHE A C 1 5: ATOM 121 O O . PHE A 1 15 ? 21.041 18.578 16.265 1.00 8.64 ? 15 PHE A O 1 5: ATOM 122 C CB . PHE A 1 15 ? 23.497 17.990 18.379 1.00 10.05 ? 15 PHE A CB 1 5: ATOM 123 C CG . PHE A 1 15 ? 23.102 19.397 18.746 1.00 10.57 ? 15 PHE A CG 1 5: ATOM 124 C CD1 . PHE A 1 15 ? 22.032 19.633 19.605 1.00 13.39 ? 15 PHE A CD1 1 5: ATOM 125 C CD2 . PHE A 1 15 ? 23.813 20.485 18.254 1.00 11.47 ? 15 PHE A CD2 1 5: ATOM 126 C CE1 . PHE A 1 15 ? 21.678 20.929 19.968 1.00 13.52 ? 15 PHE A CE1 1 5: ATOM 127 C CE2 . PHE A 1 15 ? 23.467 21.784 18.609 1.00 11.60 ? 15 PHE A CE2 1 5: ATOM 128 C CZ . PHE A 1 15 ? 22.399 22.006 19.469 1.00 13.52 ? 15 PHE A CZ 1 5: ATOM 129 N N . GLU A 1 16 ? 22.878 17.699 15.342 1.00 11.17 ? 16 GLU A N 1 5: ATOM 130 C CA . GLU A 1 16 ? 22.583 18.313 14.053 1.00 12.58 ? 16 GLU A CA 1 5: ATOM 131 C C . GLU A 1 16 ? 21.271 17.797 13.468 1.00 11.71 ? 16 GLU A C 1 5: ATOM 132 O O . GLU A 1 16 ? 20.503 18.567 12.888 1.00 12.66 ? 16 GLU A O 1 5: ATOM 133 C CB . GLU A 1 16 ? 23.711 18.081 13.060 1.00 15.91 ? 16 GLU A CB 1 5: ATOM 134 C CG . GLU A 1 16 ? 23.274 18.337 11.626 1.00 21.31 ? 16 GLU A CG 1 5: ATOM 135 C CD . GLU A 1 16 ? 24.376 18.878 10.757 1.00 25.39 ? 16 GLU A CD 1 5: ATOM 136 O OE1 . GLU A 1 16 ? 25.526 18.984 11.240 1.00 27.92 ? 16 GLU A OE1 1 5: ATOM 137 O OE2 . GLU A 1 16 ? 24.084 19.213 9.588 1.00 28.60 ? 16 GLU A OE2 1 5: ATOM 138 N N . GLU A 1 17 ? 21.018 16.497 13.619 1.00 11.67 ? 17 GLU A N 1 5: ATOM 139 C CA . GLU A 1 17 ? 19.785 15.878 13.116 1.00 13.65 ? 17 GLU A CA 1 5: ATOM 140 C C . GLU A 1 17 ? 18.529 16.490 13.767 1.00 13.48 ? 17 GLU A C 1 5: ATOM 141 O O . GLU A 1 17 ? 17.490 16.662 13.115 1.00 11.68 ? 17 GLU A O 1 5: ATOM 142 C CB . GLU A 1 17 ? 19.811 14.361 13.325 1.00 17.06 ? 17 GLU A CB 1 5: ATOM 143 C CG . GLU A 1 17 ? 20.806 13.602 12.430 1.00 23.45 ? 17 GLU A CG 1 5: ATOM 144 C CD . GLU A 1 17 ? 22.279 13.624 12.909 1.00 27.80 ? 17 GLU A CD 1 5: ATOM 145 O OE1 . GLU A 1 17 ? 22.637 14.338 13.881 1.00 26.52 ? 17 GLU A OE1 1 5: ATOM 146 O OE2 . GLU A 1 17 ? 23.097 12.897 12.291 1.00 31.80 ? 17 GLU A OE2 1 5: ATOM 147 N N . LEU A 1 18 ? 18.640 16.834 15.048 1.00 10.82 ? 18 LEU A N 1 5: ATOM 148 C CA . LEU A 1 18 ? 17.547 17.468 15.777 1.00 9.45 ? 18 LEU A CA 1 5: ATOM 149 C C . LEU A 1 18 ? 17.302 18.849 15.155 1.00 9.27 ? 18 LEU A C 1 5: ATOM 150 O O . LEU A 1 18 ? 16.153 19.246 14.927 1.00 9.04 ? 18 LEU A O 1 5: ATOM 151 C CB . LEU A 1 18 ? 17.931 17.644 17.253 1.00 9.77 ? 18 LEU A CB 1 5: ATOM 152 C CG . LEU A 1 18 ? 16.921 18.358 18.163 1.00 11.36 ? 18 LEU A CG 1 5: ATOM 153 C CD1 . LEU A 1 18 ? 15.817 17.402 18.554 1.00 13.85 ? 18 LEU A CD1 1 5: ATOM 154 C CD2 . LEU A 1 18 ? 17.616 18.876 19.409 1.00 12.69 ? 18 LEU A CD2 1 5: ATOM 155 N N . LEU A 1 19 ? 18.387 19.568 14.864 1.00 10.75 ? 19 LEU A N 1 5: ATOM 156 C CA . LEU A 1 19 ? 18.275 20.906 14.276 1.00 11.15 ? 19 LEU A CA 1 5: ATOM 157 C C . LEU A 1 19 ? 17.671 20.873 12.874 1.00 12.52 ? 19 LEU A C 1 5: ATOM 158 O O . LEU A 1 19 ? 16.932 21.777 12.485 1.00 10.05 ? 19 LEU A O 1 5: ATOM 159 C CB . LEU A 1 19 ? 19.631 21.616 14.263 1.00 12.01 ? 19 LEU A CB 1 5: ATOM 160 C CG . LEU A 1 19 ? 20.282 21.963 15.614 1.00 10.42 ? 19 LEU A CG 1 5: ATOM 161 C CD1 . LEU A 1 19 ? 21.560 22.763 15.369 1.00 13.01 ? 19 LEU A CD1 1 5: ATOM 162 C CD2 . LEU A 1 19 ? 19.312 22.742 16.513 1.00 11.45 ? 19 LEU A CD2 1 5: ATOM 163 N N . LYS A 1 20 ? 17.944 19.795 12.150 1.00 14.41 ? 20 LYS A N 1 5: ATOM 164 C CA . LYS A 1 20 ? 17.427 19.628 10.800 1.00 16.54 ? 20 LYS A CA 1 5: ATOM 165 C C . LYS A 1 20 ? 15.902 19.512 10.832 1.00 16.17 ? 20 LYS A C 1 5: ATOM 166 O O . LYS A 1 20 ? 15.201 20.164 10.053 1.00 15.90 ? 20 LYS A O 1 5: ATOM 167 C CB . LYS A 1 20 ? 18.048 18.390 10.157 1.00 20.07 ? 20 LYS A CB 1 5: ATOM 168 C CG . LYS A 1 20 ? 18.592 18.643 8.765 1.00 26.61 ? 20 LYS A CG 1 5: ATOM 169 C CD . LYS A 1 20 ? 18.960 17.349 8.027 1.00 30.95 ? 20 LYS A CD 1 5: ATOM 170 C CE . LYS A 1 20 ? 20.226 16.690 8.579 1.00 35.68 ? 20 LYS A CE 1 5: ATOM 171 N NZ . LYS A 1 20 ? 21.485 17.466 8.342 1.00 39.27 ? 20 LYS A NZ 1 5: ATOM 172 N N . VAL A 1 21 ? 15.395 18.700 11.759 1.00 15.31 ? 21 VAL A N 1 5: ATOM 173 C CA . VAL A 1 21 ? 13.958 18.508 11.927 1.00 14.41 ? 21 VAL A CA 1 5: ATOM 174 C C . VAL A 1 21 ? 13.275 19.831 12.316 1.00 15.02 ? 21 VAL A C 1 5: ATOM 175 O O . VAL A 1 21 ? 12.150 20.119 11.878 1.00 13.59 ? 21 VAL A O 1 5: ATOM 176 C CB . VAL A 1 21 ? 13.674 17.422 12.998 1.00 14.93 ? 21 VAL A CB 1 5: ATOM 177 C CG1 . VAL A 1 21 ? 12.194 17.383 13.364 1.00 17.29 ? 21 VAL A CG1 1 5: ATOM 178 C CG2 . VAL A 1 21 ? 14.115 16.082 12.482 1.00 15.09 ? 21 VAL A CG2 1 5: ATOM 179 N N . LEU A 1 22 ? 13.966 20.643 13.119 1.00 14.52 ? 22 LEU A N 1 5: ATOM 180 C CA . LEU A 1 22 ? 13.432 21.938 13.569 1.00 14.42 ? 22 LEU A CA 1 5: ATOM 181 C C . LEU A 1 22 ? 13.478 22.984 12.467 1.00 15.49 ? 22 LEU A C 1 5: ATOM 182 O O . LEU A 1 22 ? 13.038 24.115 12.666 1.00 16.81 ? 22 LEU A O 1 5: ATOM 183 C CB . LEU A 1 22 ? 14.180 22.440 14.818 1.00 13.61 ? 22 LEU A CB 1 5: ATOM 184 C CG . LEU A 1 22 ? 13.986 21.565 16.069 1.00 13.97 ? 22 LEU A CG 1 5: ATOM 185 C CD1 . LEU A 1 22 ? 14.852 22.047 17.225 1.00 13.25 ? 22 LEU A CD1 1 5: ATOM 186 C CD2 . LEU A 1 22 ? 12.525 21.580 16.467 1.00 14.62 ? 22 LEU A CD2 1 5: ATOM 187 N N . GLY A 1 23 ? 14.062 22.618 11.328 1.00 16.41 ? 23 GLY A N 1 5: ATOM 188 C CA . GLY A 1 23 ? 14.123 23.516 10.183 1.00 17.05 ? 23 GLY A CA 1 5: ATOM 189 C C . GLY A 1 23 ? 15.241 24.539 10.125 1.00 18.00 ? 23 GLY A C 1 5: ATOM 190 O O . GLY A 1 23 ? 15.112 25.545 9.425 1.00 19.45 ? 23 GLY A O 1 5: ATOM 191 N N . VAL A 1 24 ? 16.320 24.315 10.869 1.00 14.78 ? 24 VAL A N 1 5: ATOM 192 C CA . VAL A 1 24 ? 17.440 25.241 10.860 1.00 13.71 ? 24 VAL A CA 1 5: ATOM 193 C C . VAL A 1 24 ? 18.289 24.983 9.607 1.00 15.09 ? 24 VAL A C 1 5: ATOM 194 O O . VAL A 1 24 ? 18.679 23.840 9.334 1.00 14.12 ? 24 VAL A O 1 5: ATOM 195 C CB . VAL A 1 24 ? 18.297 25.081 12.139 1.00 12.19 ? 24 VAL A CB 1 5: ATOM 196 C CG1 . VAL A 1 24 ? 19.465 26.054 12.109 1.00 8.69 ? 24 VAL A CG1 1 5: ATOM 197 C CG2 . VAL A 1 24 ? 17.416 25.294 13.388 1.00 11.37 ? 24 VAL A CG2 1 5: ATOM 198 N N . ASN A 1 25 ? 18.595 26.047 8.866 1.00 15.37 ? 25 ASN A N 1 5: ATOM 199 C CA . ASN A 1 25 ? 19.360 25.914 7.635 1.00 17.74 ? 25 ASN A CA 1 5: ATOM 200 C C . ASN A 1 25 ? 20.808 25.466 7.819 1.00 18.29 ? 25 ASN A C 1 5: ATOM 201 O O . ASN A 1 25 ? 21.377 25.592 8.903 1.00 18.05 ? 25 ASN A O 1 5: ATOM 202 C CB . ASN A 1 25 ? 19.230 27.172 6.742 1.00 19.41 ? 25 ASN A CB 1 5: ATOM 203 C CG . ASN A 1 25 ? 20.090 28.351 7.200 1.00 22.35 ? 25 ASN A CG 1 5: ATOM 204 O OD1 . ASN A 1 25 ? 21.207 28.189 7.698 1.00 22.64 ? 25 ASN A OD1 1 5: ATOM 205 N ND2 . ASN A 1 25 ? 19.602 29.558 6.933 1.00 24.15 ? 25 ASN A ND2 1 5: ATOM 206 N N . VAL A 1 26 ? 21.398 24.971 6.733 1.00 18.67 ? 26 VAL A N 1 5: ATOM 207 C CA . VAL A 1 26 ? 22.755 24.444 6.742 1.00 19.24 ? 26 VAL A CA 1 5: ATOM 208 C C . VAL A 1 26 ? 23.825 25.280 7.421 1.00 18.39 ? 26 VAL A C 1 5: ATOM 209 O O . VAL A 1 26 ? 24.558 24.764 8.261 1.00 18.50 ? 26 VAL A O 1 5: ATOM 210 C CB . VAL A 1 26 ? 23.223 24.088 5.320 1.00 20.77 ? 26 VAL A CB 1 5: ATOM 211 C CG1 . VAL A 1 26 ? 24.624 23.523 5.378 1.00 22.39 ? 26 VAL A CG1 1 5: ATOM 212 C CG2 . VAL A 1 26 ? 22.276 23.084 4.698 1.00 21.28 ? 26 VAL A CG2 1 5: ATOM 213 N N . MET A 1 27 ? 23.932 26.556 7.052 1.00 19.00 ? 27 MET A N 1 5: ATOM 214 C CA . MET A 1 27 ? 24.948 27.433 7.628 1.00 19.54 ? 27 MET A CA 1 5: ATOM 215 C C . MET A 1 27 ? 24.734 27.741 9.099 1.00 19.04 ? 27 MET A C 1 5: ATOM 216 O O . MET A 1 27 ? 25.702 27.820 9.849 1.00 18.28 ? 27 MET A O 1 5: ATOM 217 C CB . MET A 1 27 ? 25.104 28.736 6.830 1.00 23.31 ? 27 MET A CB 1 5: ATOM 218 C CG . MET A 1 27 ? 25.955 28.602 5.552 1.00 29.99 ? 27 MET A CG 1 5: ATOM 219 S SD . MET A 1 27 ? 24.975 28.527 4.010 1.00 37.48 ? 27 MET A SD 1 5: ATOM 220 C CE . MET A 1 27 ? 26.198 29.150 2.776 1.00 35.24 ? 27 MET A CE 1 5: ATOM 221 N N . LEU A 1 28 ? 23.480 27.932 9.507 1.00 16.74 ? 28 LEU A N 1 5: ATOM 222 C CA . LEU A 1 28 ? 23.190 28.209 10.912 1.00 16.39 ? 28 LEU A CA 1 5: ATOM 223 C C . LEU A 1 28 ? 23.477 26.954 11.722 1.00 16.86 ? 28 LEU A C 1 5: ATOM 224 O O . LEU A 1 28 ? 23.954 27.038 12.852 1.00 15.09 ? 28 LEU A O 1 5: ATOM 225 C CB . LEU A 1 28 ? 21.739 28.679 11.111 1.00 15.94 ? 28 LEU A CB 1 5: ATOM 226 C CG . LEU A 1 28 ? 21.490 30.154 10.741 1.00 16.72 ? 28 LEU A CG 1 5: ATOM 227 C CD1 . LEU A 1 28 ? 20.008 30.496 10.780 1.00 14.38 ? 28 LEU A CD1 1 5: ATOM 228 C CD2 . LEU A 1 28 ? 22.302 31.074 11.665 1.00 12.81 ? 28 LEU A CD2 1 5: ATOM 229 N N . ARG A 1 29 ? 23.228 25.791 11.121 1.00 16.05 ? 29 ARG A N 1 5: ATOM 230 C CA . ARG A 1 29 ? 23.498 24.524 11.798 1.00 18.43 ? 29 ARG A CA 1 5: ATOM 231 C C . ARG A 1 29 ? 24.980 24.377 12.076 1.00 19.22 ? 29 ARG A C 1 5: ATOM 232 O O . ARG A 1 29 ? 25.383 23.987 13.171 1.00 17.97 ? 29 ARG A O 1 5: ATOM 233 C CB . ARG A 1 29 ? 23.030 23.334 10.969 1.00 18.63 ? 29 ARG A CB 1 5: ATOM 234 C CG . ARG A 1 29 ? 21.596 22.983 11.189 1.00 21.26 ? 29 ARG A CG 1 5: ATOM 235 C CD . ARG A 1 29 ? 21.339 21.572 10.739 1.00 24.71 ? 29 ARG A CD 1 5: ATOM 236 N NE . ARG A 1 29 ? 20.571 21.564 9.513 1.00 29.88 ? 29 ARG A NE 1 5: ATOM 237 C CZ . ARG A 1 29 ? 21.019 21.147 8.340 1.00 29.19 ? 29 ARG A CZ 1 5: ATOM 238 N NH1 . ARG A 1 29 ? 22.248 20.682 8.205 1.00 30.52 ? 29 ARG A NH1 1 5: ATOM 239 N NH2 . ARG A 1 29 ? 20.232 21.233 7.295 1.00 31.61 ? 29 ARG A NH2 1 5: ATOM 240 N N . LYS A 1 30 ? 25.790 24.709 11.078 1.00 19.76 ? 30 LYS A N 1 5: ATOM 241 C CA . LYS A 1 30 ? 27.235 24.619 11.198 1.00 21.96 ? 30 LYS A CA 1 5: ATOM 242 C C . LYS A 1 30 ? 27.706 25.418 12.417 1.00 20.91 ? 30 LYS A C 1 5: ATOM 243 O O . LYS A 1 30 ? 28.470 24.916 13.239 1.00 22.15 ? 30 LYS A O 1 5: ATOM 244 C CB . LYS A 1 30 ? 27.894 25.143 9.915 1.00 25.07 ? 30 LYS A CB 1 5: ATOM 245 C CG . LYS A 1 30 ? 29.404 25.031 9.905 1.00 30.48 ? 30 LYS A CG 1 5: ATOM 246 C CD . LYS A 1 30 ? 30.013 25.631 8.639 1.00 35.43 ? 30 LYS A CD 1 5: ATOM 247 C CE . LYS A 1 30 ? 31.533 25.759 8.778 1.00 37.96 ? 30 LYS A CE 1 5: ATOM 248 N NZ . LYS A 1 30 ? 32.180 26.388 7.584 1.00 41.61 ? 30 LYS A NZ 1 5: ATOM 249 N N . ILE A 1 31 ? 27.208 26.643 12.544 1.00 18.38 ? 31 ILE A N 1 5: ATOM 250 C CA . ILE A 1 31 ? 27.557 27.527 13.652 1.00 16.41 ? 31 ILE A CA 1 5: ATOM 251 C C . ILE A 1 31 ? 27.105 26.932 14.989 1.00 15.39 ? 31 ILE A C 1 5: ATOM 252 O O . ILE A 1 31 ? 27.888 26.855 15.930 1.00 14.90 ? 31 ILE A O 1 5: ATOM 253 C CB . ILE A 1 31 ? 26.881 28.920 13.471 1.00 16.63 ? 31 ILE A CB 1 5: ATOM 254 C CG1 . ILE A 1 31 ? 27.419 29.606 12.208 1.00 18.74 ? 31 ILE A CG1 1 5: ATOM 255 C CG2 . ILE A 1 31 ? 27.071 29.791 14.713 1.00 15.71 ? 31 ILE A CG2 1 5: ATOM 256 C CD1 . ILE A 1 31 ? 26.735 30.946 11.858 1.00 17.27 ? 31 ILE A CD1 1 5: ATOM 257 N N . ALA A 1 32 ? 25.853 26.487 15.048 1.00 13.39 ? 32 ALA A N 1 5: ATOM 258 C CA . ALA A 1 32 ? 25.271 25.930 16.267 1.00 12.76 ? 32 ALA A CA 1 5: ATOM 259 C C . ALA A 1 32 ? 25.994 24.685 16.775 1.00 12.11 ? 32 ALA A C 1 5: ATOM 260 O O . ALA A 1 32 ? 26.325 24.598 17.946 1.00 10.54 ? 32 ALA A O 1 5: ATOM 261 C CB . ALA A 1 32 ? 23.790 25.638 16.040 1.00 12.45 ? 32 ALA A CB 1 5: ATOM 262 N N . VAL A 1 33 ? 26.252 23.731 15.886 1.00 11.95 ? 33 VAL A N 1 5: ATOM 263 C CA . VAL A 1 33 ? 26.932 22.490 16.256 1.00 13.80 ? 33 VAL A CA 1 5: ATOM 264 C C . VAL A 1 33 ? 28.328 22.701 16.855 1.00 14.00 ? 33 VAL A C 1 5: ATOM 265 O O . VAL A 1 33 ? 28.693 22.048 17.832 1.00 14.07 ? 33 VAL A O 1 5: ATOM 266 C CB . VAL A 1 33 ? 27.016 21.504 15.044 1.00 13.56 ? 33 VAL A CB 1 5: ATOM 267 C CG1 . VAL A 1 33 ? 27.909 20.318 15.375 1.00 16.07 ? 33 VAL A CG1 1 5: ATOM 268 C CG2 . VAL A 1 33 ? 25.621 21.006 14.684 1.00 14.96 ? 33 VAL A CG2 1 5: ATOM 269 N N . ALA A 1 34 ? 29.101 23.620 16.281 1.00 14.73 ? 34 ALA A N 1 5: ATOM 270 C CA . ALA A 1 34 ? 30.443 23.898 16.780 1.00 14.95 ? 34 ALA A CA 1 5: ATOM 271 C C . ALA A 1 34 ? 30.381 24.505 18.178 1.00 15.59 ? 34 ALA A C 1 5: ATOM 272 O O . ALA A 1 34 ? 31.120 24.085 19.065 1.00 16.65 ? 34 ALA A O 1 5: ATOM 273 C CB . ALA A 1 34 ? 31.191 24.844 15.833 1.00 16.10 ? 34 ALA A CB 1 5: ATOM 274 N N . ALA A 1 35 ? 29.495 25.480 18.375 1.00 13.20 ? 35 ALA A N 1 5: ATOM 275 C CA . ALA A 1 35 ? 29.371 26.134 19.671 1.00 13.04 ? 35 ALA A CA 1 5: ATOM 276 C C . ALA A 1 35 ? 28.807 25.200 20.749 1.00 12.91 ? 35 ALA A C 1 5: ATOM 277 O O . ALA A 1 35 ? 29.245 25.239 21.895 1.00 12.32 ? 35 ALA A O 1 5: ATOM 278 C CB . ALA A 1 35 ? 28.517 27.387 19.552 1.00 12.14 ? 35 ALA A CB 1 5: ATOM 279 N N . ALA A 1 36 ? 27.878 24.332 20.362 1.00 11.40 ? 36 ALA A N 1 5: ATOM 280 C CA . ALA A 1 36 ? 27.253 23.416 21.312 1.00 12.63 ? 36 ALA A CA 1 5: ATOM 281 C C . ALA A 1 36 ? 28.128 22.256 21.770 1.00 13.40 ? 36 ALA A C 1 5: ATOM 282 O O . ALA A 1 36 ? 27.743 21.512 22.668 1.00 13.47 ? 36 ALA A O 1 5: ATOM 283 C CB . ALA A 1 36 ? 25.952 22.883 20.744 1.00 11.79 ? 36 ALA A CB 1 5: ATOM 284 N N . SER A 1 37 ? 29.286 22.080 21.148 1.00 13.86 ? 37 SER A N 1 5: ATOM 285 C CA . SER A 1 37 ? 30.169 20.983 21.520 1.00 15.95 ? 37 SER A CA 1 5: ATOM 286 C C . SER A 1 37 ? 30.938 21.245 22.818 1.00 16.46 ? 37 SER A C 1 5: ATOM 287 O O . SER A 1 37 ? 31.488 20.320 23.406 1.00 18.23 ? 37 SER A O 1 5: ATOM 288 C CB . SER A 1 37 ? 31.145 20.689 20.388 1.00 16.93 ? 37 SER A CB 1 5: ATOM 289 O OG . SER A 1 37 ? 32.100 21.729 20.293 1.00 21.65 ? 37 SER A OG 1 5: ATOM 290 N N . LYS A 1 38 ? 30.957 22.496 23.272 1.00 16.91 ? 38 LYS A N 1 5: ATOM 291 C CA . LYS A 1 38 ? 31.657 22.869 24.502 1.00 18.36 ? 38 LYS A CA 1 5: ATOM 292 C C . LYS A 1 38 ? 30.817 23.809 25.382 1.00 15.90 ? 38 LYS A C 1 5: ATOM 293 O O . LYS A 1 38 ? 31.175 24.975 25.591 1.00 16.72 ? 38 LYS A O 1 5: ATOM 294 C CB . LYS A 1 38 ? 33.004 23.539 24.156 1.00 23.99 ? 38 LYS A CB 1 5: ATOM 295 C CG . LYS A 1 38 ? 32.907 24.607 23.046 1.00 30.97 ? 38 LYS A CG 1 5: ATOM 296 C CD . LYS A 1 38 ? 34.250 25.320 22.792 1.00 36.44 ? 38 LYS A CD 1 5: ATOM 297 C CE . LYS A 1 38 ? 34.266 26.098 21.456 1.00 38.70 ? 38 LYS A CE 1 5: ATOM 298 N NZ . LYS A 1 38 ? 33.193 27.131 21.321 1.00 39.37 ? 38 LYS A NZ 1 5: ATOM 299 N N . PRO A 1 39 ? 29.669 23.321 25.906 1.00 13.53 ? 39 PRO A N 1 5: ATOM 300 C CA . PRO A 1 39 ? 28.851 24.201 26.747 1.00 11.87 ? 39 PRO A CA 1 5: ATOM 301 C C . PRO A 1 39 ? 29.292 24.248 28.211 1.00 12.05 ? 39 PRO A C 1 5: ATOM 302 O O . PRO A 1 39 ? 30.027 23.380 28.676 1.00 12.12 ? 39 PRO A O 1 5: ATOM 303 C CB . PRO A 1 39 ? 27.469 23.560 26.649 1.00 9.34 ? 39 PRO A CB 1 5: ATOM 304 C CG . PRO A 1 39 ? 27.779 22.131 26.593 1.00 10.32 ? 39 PRO A CG 1 5: ATOM 305 C CD . PRO A 1 39 ? 29.009 22.020 25.703 1.00 10.86 ? 39 PRO A CD 1 5: ATOM 306 N N . ALA A 1 40 ? 28.921 25.316 28.898 1.00 11.52 ? 40 ALA A N 1 5: ATOM 307 C CA . ALA A 1 40 ? 29.192 25.423 30.329 1.00 11.84 ? 40 ALA A CA 1 5: ATOM 308 C C . ALA A 1 40 ? 27.773 25.329 30.894 1.00 10.23 ? 40 ALA A C 1 5: ATOM 309 O O . ALA A 1 40 ? 26.894 26.080 30.478 1.00 10.42 ? 40 ALA A O 1 5: ATOM 310 C CB . ALA A 1 40 ? 29.830 26.767 30.673 1.00 11.40 ? 40 ALA A CB 1 5: ATOM 311 N N . VAL A 1 41 ? 27.518 24.345 31.750 1.00 10.73 ? 41 VAL A N 1 5: ATOM 312 C CA . VAL A 1 41 ? 26.185 24.169 32.333 1.00 9.92 ? 41 VAL A CA 1 5: ATOM 313 C C . VAL A 1 41 ? 26.226 24.295 33.854 1.00 11.64 ? 41 VAL A C 1 5: ATOM 314 O O . VAL A 1 41 ? 27.026 23.627 34.514 1.00 11.40 ? 41 VAL A O 1 5: ATOM 315 C CB . VAL A 1 41 ? 25.594 22.772 31.987 1.00 10.67 ? 41 VAL A CB 1 5: ATOM 316 C CG1 . VAL A 1 41 ? 24.204 22.596 32.612 1.00 11.34 ? 41 VAL A CG1 1 5: ATOM 317 C CG2 . VAL A 1 41 ? 25.507 22.583 30.475 1.00 11.31 ? 41 VAL A CG2 1 5: ATOM 318 N N . GLU A 1 42 ? 25.364 25.147 34.399 1.00 10.94 ? 42 GLU A N 1 5: ATOM 319 C CA . GLU A 1 42 ? 25.271 25.327 35.845 1.00 12.40 ? 42 GLU A CA 1 5: ATOM 320 C C . GLU A 1 42 ? 23.837 25.095 36.316 1.00 11.42 ? 42 GLU A C 1 5: ATOM 321 O O . GLU A 1 42 ? 22.898 25.720 35.825 1.00 10.46 ? 42 GLU A O 1 5: ATOM 322 C CB . GLU A 1 42 ? 25.711 26.721 36.270 1.00 16.26 ? 42 GLU A CB 1 5: ATOM 323 C CG . GLU A 1 42 ? 25.495 26.947 37.768 1.00 23.78 ? 42 GLU A CG 1 5: ATOM 324 C CD . GLU A 1 42 ? 25.944 28.311 38.242 1.00 27.94 ? 42 GLU A CD 1 5: ATOM 325 O OE1 . GLU A 1 42 ? 25.308 29.329 37.872 1.00 29.92 ? 42 GLU A OE1 1 5: ATOM 326 O OE2 . GLU A 1 42 ? 26.935 28.351 39.002 1.00 32.64 ? 42 GLU A OE2 1 5: ATOM 327 N N . ILE A 1 43 ? 23.673 24.176 37.261 1.00 10.55 ? 43 ILE A N 1 5: ATOM 328 C CA . ILE A 1 43 ? 22.362 23.864 37.794 1.00 10.69 ? 43 ILE A CA 1 5: ATOM 329 C C . ILE A 1 43 ? 22.360 24.120 39.300 1.00 11.07 ? 43 ILE A C 1 5: ATOM 330 O O . ILE A 1 43 ? 23.307 23.764 39.992 1.00 10.83 ? 43 ILE A O 1 5: ATOM 331 C CB . ILE A 1 43 ? 21.996 22.374 37.552 1.00 10.47 ? 43 ILE A CB 1 5: ATOM 332 C CG1 . ILE A 1 43 ? 21.974 22.072 36.056 1.00 10.46 ? 43 ILE A CG1 1 5: ATOM 333 C CG2 . ILE A 1 43 ? 20.636 22.031 38.186 1.00 10.34 ? 43 ILE A CG2 1 5: ATOM 334 C CD1 . ILE A 1 43 ? 21.607 20.639 35.726 1.00 9.00 ? 43 ILE A CD1 1 5: ATOM 335 N N . LYS A 1 44 ? 21.315 24.784 39.778 1.00 12.26 ? 44 LYS A N 1 5: ATOM 336 C CA . LYS A 1 44 ? 21.127 25.051 41.201 1.00 13.96 ? 44 LYS A CA 1 5: ATOM 337 C C . LYS A 1 44 ? 19.729 24.528 41.516 1.00 14.16 ? 44 LYS A C 1 5: ATOM 338 O O . LYS A 1 44 ? 18.749 24.920 40.873 1.00 14.12 ? 44 LYS A O 1 5: ATOM 339 C CB . LYS A 1 44 ? 21.220 26.545 41.503 1.00 16.58 ? 44 LYS A CB 1 5: ATOM 340 C CG . LYS A 1 44 ? 22.580 27.150 41.170 1.00 22.90 ? 44 LYS A CG 1 5: ATOM 341 C CD . LYS A 1 44 ? 22.571 28.654 41.385 1.00 29.01 ? 44 LYS A CD 1 5: ATOM 342 C CE . LYS A 1 44 ? 23.890 29.293 40.982 1.00 31.56 ? 44 LYS A CE 1 5: ATOM 343 N NZ . LYS A 1 44 ? 23.818 30.781 41.111 1.00 34.70 ? 44 LYS A NZ 1 5: ATOM 344 N N . GLN A 1 45 ? 19.649 23.594 42.460 1.00 15.66 ? 45 GLN A N 1 5: ATOM 345 C CA . GLN A 1 45 ? 18.377 22.993 42.852 1.00 16.03 ? 45 GLN A CA 1 5: ATOM 346 C C . GLN A 1 45 ? 18.098 23.182 44.342 1.00 17.60 ? 45 GLN A C 1 5: ATOM 347 O O . GLN A 1 45 ? 18.989 23.024 45.164 1.00 17.17 ? 45 GLN A O 1 5: ATOM 348 C CB . GLN A 1 45 ? 18.397 21.498 42.544 1.00 15.51 ? 45 GLN A CB 1 5: ATOM 349 C CG . GLN A 1 45 ? 17.168 20.744 43.015 1.00 13.62 ? 45 GLN A CG 1 5: ATOM 350 C CD . GLN A 1 45 ? 17.312 19.256 42.838 1.00 15.68 ? 45 GLN A CD 1 5: ATOM 351 O OE1 . GLN A 1 45 ? 18.348 18.769 42.397 1.00 18.84 ? 45 GLN A OE1 1 5: ATOM 352 N NE2 . GLN A 1 45 ? 16.276 18.521 43.177 1.00 16.73 ? 45 GLN A NE2 1 5: ATOM 353 N N . GLU A 1 46 ? 16.868 23.551 44.670 1.00 18.48 ? 46 GLU A N 1 5: ATOM 354 C CA . GLU A 1 46 ? 16.441 23.718 46.062 1.00 21.26 ? 46 GLU A CA 1 5: ATOM 355 C C . GLU A 1 46 ? 15.108 23.004 46.105 1.00 19.06 ? 46 GLU A C 1 5: ATOM 356 O O . GLU A 1 46 ? 14.080 23.589 45.784 1.00 20.08 ? 46 GLU A O 1 5: ATOM 357 C CB . GLU A 1 46 ? 16.239 25.194 46.408 1.00 26.45 ? 46 GLU A CB 1 5: ATOM 358 C CG . GLU A 1 46 ? 17.284 25.787 47.361 1.00 37.46 ? 46 GLU A CG 1 5: ATOM 359 C CD . GLU A 1 46 ? 17.093 25.374 48.832 1.00 42.24 ? 46 GLU A CD 1 5: ATOM 360 O OE1 . GLU A 1 46 ? 16.192 25.944 49.501 1.00 44.05 ? 46 GLU A OE1 1 5: ATOM 361 O OE2 . GLU A 1 46 ? 17.867 24.507 49.320 1.00 44.14 ? 46 GLU A OE2 1 5: ATOM 362 N N . GLY A 1 47 ? 15.131 21.720 46.429 1.00 18.35 ? 47 GLY A N 1 5: ATOM 363 C CA . GLY A 1 47 ? 13.893 20.970 46.463 1.00 18.96 ? 47 GLY A CA 1 5: ATOM 364 C C . GLY A 1 47 ? 13.382 20.755 45.053 1.00 18.27 ? 47 GLY A C 1 5: ATOM 365 O O . GLY A 1 47 ? 14.067 20.157 44.238 1.00 18.05 ? 47 GLY A O 1 5: ATOM 366 N N . ASP A 1 48 ? 12.194 21.262 44.755 1.00 16.66 ? 48 ASP A N 1 5: ATOM 367 C CA . ASP A 1 48 ? 11.617 21.107 43.420 1.00 16.86 ? 48 ASP A CA 1 5: ATOM 368 C C . ASP A 1 48 ? 11.771 22.378 42.566 1.00 15.92 ? 48 ASP A C 1 5: ATOM 369 O O . ASP A 1 48 ? 11.139 22.511 41.504 1.00 14.50 ? 48 ASP A O 1 5: ATOM 370 C CB . ASP A 1 48 ? 10.136 20.694 43.513 1.00 19.00 ? 48 ASP A CB 1 5: ATOM 371 C CG . ASP A 1 48 ? 9.943 19.221 43.897 1.00 21.49 ? 48 ASP A CG 1 5: ATOM 372 O OD1 . ASP A 1 48 ? 10.901 18.406 43.840 1.00 23.51 ? 48 ASP A OD1 1 5: ATOM 373 O OD2 . ASP A 1 48 ? 8.802 18.868 44.243 1.00 25.04 ? 48 ASP A OD2 1 5: ATOM 374 N N . THR A 1 49 ? 12.610 23.299 43.042 1.00 13.75 ? 49 THR A N 1 5: ATOM 375 C CA . THR A 1 49 ? 12.870 24.551 42.348 1.00 13.82 ? 49 THR A CA 1 5: ATOM 376 C C . THR A 1 49 ? 14.231 24.460 41.678 1.00 13.22 ? 49 THR A C 1 5: ATOM 377 O O . THR A 1 49 ? 15.235 24.152 42.322 1.00 12.56 ? 49 THR A O 1 5: ATOM 378 C CB . THR A 1 49 ? 12.847 25.741 43.316 1.00 16.10 ? 49 THR A CB 1 5: ATOM 379 O OG1 . THR A 1 49 ? 11.556 25.815 43.941 1.00 17.94 ? 49 THR A OG1 1 5: ATOM 380 C CG2 . THR A 1 49 ? 13.100 27.037 42.571 1.00 16.15 ? 49 THR A CG2 1 5: ATOM 381 N N . PHE A 1 50 ? 14.266 24.794 40.392 1.00 12.20 ? 50 PHE A N 1 5: ATOM 382 C CA . PHE A 1 50 ? 15.485 24.704 39.602 1.00 10.82 ? 50 PHE A CA 1 5: ATOM 383 C C . PHE A 1 50 ? 15.842 25.979 38.855 1.00 10.40 ? 50 PHE A C 1 5: ATOM 384 O O . PHE A 1 50 ? 14.968 26.758 38.460 1.00 9.90 ? 50 PHE A O 1 5: ATOM 385 C CB . PHE A 1 50 ? 15.338 23.591 38.547 1.00 10.78 ? 50 PHE A CB 1 5: ATOM 386 C CG . PHE A 1 50 ? 15.316 22.192 39.107 1.00 13.13 ? 50 PHE A CG 1 5: ATOM 387 C CD1 . PHE A 1 50 ? 14.146 21.653 39.634 1.00 11.97 ? 50 PHE A CD1 1 5: ATOM 388 C CD2 . PHE A 1 50 ? 16.464 21.401 39.079 1.00 14.34 ? 50 PHE A CD2 1 5: ATOM 389 C CE1 . PHE A 1 50 ? 14.113 20.367 40.120 1.00 12.69 ? 50 PHE A CE1 1 5: ATOM 390 C CE2 . PHE A 1 50 ? 16.439 20.098 39.569 1.00 14.64 ? 50 PHE A CE2 1 5: ATOM 391 C CZ . PHE A 1 50 ? 15.258 19.582 40.092 1.00 13.15 ? 50 PHE A CZ 1 5: ATOM 392 N N . TYR A 1 51 ? 17.147 26.165 38.678 1.00 10.37 ? 51 TYR A N 1 5: ATOM 393 C CA . TYR A 1 51 ? 17.709 27.258 37.910 1.00 10.95 ? 51 TYR A CA 1 5: ATOM 394 C C . TYR A 1 51 ? 18.714 26.513 37.039 1.00 9.84 ? 51 TYR A C 1 5: ATOM 395 O O . TYR A 1 51 ? 19.540 25.761 37.547 1.00 9.78 ? 51 TYR A O 1 5: ATOM 396 C CB . TYR A 1 51 ? 18.436 28.284 38.790 1.00 12.57 ? 51 TYR A CB 1 5: ATOM 397 C CG . TYR A 1 51 ? 19.396 29.178 38.014 1.00 12.91 ? 51 TYR A CG 1 5: ATOM 398 C CD1 . TYR A 1 51 ? 18.939 30.302 37.327 1.00 15.83 ? 51 TYR A CD1 1 5: ATOM 399 C CD2 . TYR A 1 51 ? 20.762 28.896 37.974 1.00 14.05 ? 51 TYR A CD2 1 5: ATOM 400 C CE1 . TYR A 1 51 ? 19.822 31.126 36.621 1.00 16.52 ? 51 TYR A CE1 1 5: ATOM 401 C CE2 . TYR A 1 51 ? 21.655 29.705 37.275 1.00 14.62 ? 51 TYR A CE2 1 5: ATOM 402 C CZ . TYR A 1 51 ? 21.179 30.818 36.604 1.00 16.59 ? 51 TYR A CZ 1 5: ATOM 403 O OH . TYR A 1 51 ? 22.060 31.633 35.932 1.00 17.52 ? 51 TYR A OH 1 5: ATOM 404 N N . ILE A 1 52 ? 18.610 26.676 35.726 1.00 10.57 ? 52 ILE A N 1 5: ATOM 405 C CA . ILE A 1 52 ? 19.520 26.004 34.801 1.00 9.09 ? 52 ILE A CA 1 5: ATOM 406 C C . ILE A 1 52 ? 20.066 27.020 33.801 1.00 8.55 ? 52 ILE A C 1 5: ATOM 407 O O . ILE A 1 52 ? 19.296 27.652 33.086 1.00 10.49 ? 52 ILE A O 1 5: ATOM 408 C CB . ILE A 1 52 ? 18.807 24.859 34.026 1.00 8.96 ? 52 ILE A CB 1 5: ATOM 409 C CG1 . ILE A 1 52 ? 18.242 23.814 35.013 1.00 9.15 ? 52 ILE A CG1 1 5: ATOM 410 C CG2 . ILE A 1 52 ? 19.792 24.189 33.070 1.00 10.39 ? 52 ILE A CG2 1 5: ATOM 411 C CD1 . ILE A 1 52 ? 17.585 22.616 34.366 1.00 8.10 ? 52 ILE A CD1 1 5: ATOM 412 N N . LYS A 1 53 ? 21.388 27.197 33.791 1.00 8.61 ? 53 LYS A N 1 5: ATOM 413 C CA . LYS A 1 53 ? 22.049 28.115 32.868 1.00 9.66 ? 53 LYS A CA 1 5: ATOM 414 C C . LYS A 1 53 ? 22.939 27.319 31.924 1.00 8.71 ? 53 LYS A C 1 5: ATOM 415 O O . LYS A 1 53 ? 23.815 26.583 32.362 1.00 7.58 ? 53 LYS A O 1 5: ATOM 416 C CB . LYS A 1 53 ? 22.909 29.120 33.611 1.00 10.60 ? 53 LYS A CB 1 5: ATOM 417 C CG . LYS A 1 53 ? 23.580 30.135 32.688 1.00 14.21 ? 53 LYS A CG 1 5: ATOM 418 C CD . LYS A 1 53 ? 24.496 31.006 33.505 1.00 20.27 ? 53 LYS A CD 1 5: ATOM 419 C CE . LYS A 1 53 ? 24.831 32.319 32.828 1.00 26.91 ? 53 LYS A CE 1 5: ATOM 420 N NZ . LYS A 1 53 ? 25.878 33.009 33.659 1.00 29.12 ? 53 LYS A NZ 1 5: ATOM 421 N N . THR A 1 54 ? 22.686 27.445 30.625 1.00 8.49 ? 54 THR A N 1 5: ATOM 422 C CA . THR A 1 54 ? 23.478 26.747 29.628 1.00 7.98 ? 54 THR A CA 1 5: ATOM 423 C C . THR A 1 54 ? 24.118 27.820 28.764 1.00 8.23 ? 54 THR A C 1 5: ATOM 424 O O . THR A 1 54 ? 23.433 28.584 28.087 1.00 8.40 ? 54 THR A O 1 5: ATOM 425 C CB . THR A 1 54 ? 22.621 25.817 28.789 1.00 8.33 ? 54 THR A CB 1 5: ATOM 426 O OG1 . THR A 1 54 ? 21.896 24.946 29.660 1.00 9.95 ? 54 THR A OG1 1 5: ATOM 427 C CG2 . THR A 1 54 ? 23.505 24.976 27.873 1.00 4.95 ? 54 THR A CG2 1 5: ATOM 428 N N . SER A 1 55 ? 25.444 27.840 28.758 1.00 8.75 ? 55 SER A N 1 5: ATOM 429 C CA . SER A 1 55 ? 26.171 28.865 28.047 1.00 10.50 ? 55 SER A CA 1 5: ATOM 430 C C . SER A 1 55 ? 27.116 28.382 26.950 1.00 9.24 ? 55 SER A C 1 5: ATOM 431 O O . SER A 1 55 ? 27.802 27.370 27.101 1.00 8.98 ? 55 SER A O 1 5: ATOM 432 C CB . SER A 1 55 ? 26.934 29.694 29.082 1.00 13.09 ? 55 SER A CB 1 5: ATOM 433 O OG . SER A 1 55 ? 27.781 30.646 28.473 1.00 23.11 ? 55 SER A OG 1 5: ATOM 434 N N . THR A 1 56 ? 27.091 29.094 25.825 1.00 8.86 ? 56 THR A N 1 5: ATOM 435 C CA . THR A 1 56 ? 27.978 28.831 24.684 1.00 8.05 ? 56 THR A CA 1 5: ATOM 436 C C . THR A 1 56 ? 28.393 30.215 24.138 1.00 8.09 ? 56 THR A C 1 5: ATOM 437 O O . THR A 1 56 ? 27.834 31.237 24.525 1.00 7.17 ? 56 THR A O 1 5: ATOM 438 C CB . THR A 1 56 ? 27.296 28.024 23.534 1.00 6.70 ? 56 THR A CB 1 5: ATOM 439 O OG1 . THR A 1 56 ? 26.294 28.829 22.909 1.00 9.76 ? 56 THR A OG1 1 5: ATOM 440 C CG2 . THR A 1 56 ? 26.653 26.751 24.049 1.00 7.76 ? 56 THR A CG2 1 5: ATOM 441 N N . THR A 1 57 ? 29.381 30.242 23.249 1.00 9.17 ? 57 THR A N 1 5: ATOM 442 C CA . THR A 1 57 ? 29.871 31.485 22.644 1.00 8.49 ? 57 THR A CA 1 5: ATOM 443 C C . THR A 1 57 ? 28.820 32.222 21.802 1.00 7.50 ? 57 THR A C 1 5: ATOM 444 O O . THR A 1 57 ? 28.952 33.412 21.565 1.00 9.40 ? 57 THR A O 1 5: ATOM 445 C CB . THR A 1 57 ? 31.091 31.205 21.716 1.00 9.12 ? 57 THR A CB 1 5: ATOM 446 O OG1 . THR A 1 57 ? 30.758 30.171 20.786 1.00 9.41 ? 57 THR A OG1 1 5: ATOM 447 C CG2 . THR A 1 57 ? 32.297 30.775 22.516 1.00 11.48 ? 57 THR A CG2 1 5: ATOM 448 N N . VAL A 1 58 ? 27.786 31.510 21.356 1.00 8.04 ? 58 VAL A N 1 5: ATOM 449 C CA . VAL A 1 58 ? 26.733 32.090 20.500 1.00 9.09 ? 58 VAL A CA 1 5: ATOM 450 C C . VAL A 1 58 ? 25.328 32.224 21.102 1.00 8.67 ? 58 VAL A C 1 5: ATOM 451 O O . VAL A 1 58 ? 24.466 32.892 20.531 1.00 6.97 ? 58 VAL A O 1 5: ATOM 452 C CB . VAL A 1 58 ? 26.602 31.287 19.155 1.00 9.96 ? 58 VAL A CB 1 5: ATOM 453 C CG1 . VAL A 1 58 ? 27.976 31.161 18.454 1.00 11.08 ? 58 VAL A CG1 1 5: ATOM 454 C CG2 . VAL A 1 58 ? 26.010 29.890 19.404 1.00 9.41 ? 58 VAL A CG2 1 5: ATOM 455 N N . ARG A 1 59 ? 25.100 31.620 22.266 1.00 8.88 ? 59 ARG A N 1 5: ATOM 456 C CA . ARG A 1 59 ? 23.783 31.655 22.882 1.00 9.95 ? 59 ARG A CA 1 5: ATOM 457 C C . ARG A 1 59 ? 23.843 31.140 24.303 1.00 10.14 ? 59 ARG A C 1 5: ATOM 458 O O . ARG A 1 59 ? 24.440 30.108 24.556 1.00 10.10 ? 59 ARG A O 1 5: ATOM 459 C CB . ARG A 1 59 ? 22.837 30.751 22.074 1.00 13.11 ? 59 ARG A CB 1 5: ATOM 460 C CG . ARG A 1 59 ? 21.417 30.569 22.623 1.00 16.80 ? 59 ARG A CG 1 5: ATOM 461 C CD . ARG A 1 59 ? 20.521 29.961 21.535 1.00 18.74 ? 59 ARG A CD 1 5: ATOM 462 N NE . ARG A 1 59 ? 19.250 29.440 22.032 1.00 20.63 ? 59 ARG A NE 1 5: ATOM 463 C CZ . ARG A 1 59 ? 18.147 30.165 22.193 1.00 22.94 ? 59 ARG A CZ 1 5: ATOM 464 N NH1 . ARG A 1 59 ? 18.138 31.462 21.894 1.00 22.55 ? 59 ARG A NH1 1 5: ATOM 465 N NH2 . ARG A 1 59 ? 17.051 29.594 22.686 1.00 23.68 ? 59 ARG A NH2 1 5: ATOM 466 N N . THR A 1 60 ? 23.183 31.849 25.211 1.00 11.23 ? 60 THR A N 1 5: ATOM 467 C CA . THR A 1 60 ? 23.120 31.458 26.611 1.00 11.84 ? 60 THR A CA 1 5: ATOM 468 C C . THR A 1 60 ? 21.650 31.500 27.005 1.00 11.73 ? 60 THR A C 1 5: ATOM 469 O O . THR A 1 60 ? 20.934 32.423 26.620 1.00 13.69 ? 60 THR A O 1 5: ATOM 470 C CB . THR A 1 60 ? 23.916 32.451 27.519 1.00 10.13 ? 60 THR A CB 1 5: ATOM 471 O OG1 . THR A 1 60 ? 25.320 32.302 27.276 1.00 10.55 ? 60 THR A OG1 1 5: ATOM 472 C CG2 . THR A 1 60 ? 23.632 32.181 29.003 1.00 11.01 ? 60 THR A CG2 1 5: ATOM 473 N N . THR A 1 61 ? 21.183 30.470 27.706 1.00 11.78 ? 61 THR A N 1 5: ATOM 474 C CA . THR A 1 61 ? 19.797 30.413 28.175 1.00 11.54 ? 61 THR A CA 1 5: ATOM 475 C C . THR A 1 61 ? 19.831 30.214 29.686 1.00 10.88 ? 61 THR A C 1 5: ATOM 476 O O . THR A 1 61 ? 20.734 29.570 30.205 1.00 9.63 ? 61 THR A O 1 5: ATOM 477 C CB . THR A 1 61 ? 18.965 29.229 27.539 1.00 12.65 ? 61 THR A CB 1 5: ATOM 478 O OG1 . THR A 1 61 ? 19.563 27.976 27.874 1.00 14.13 ? 61 THR A OG1 1 5: ATOM 479 C CG2 . THR A 1 61 ? 18.889 29.336 26.012 1.00 14.15 ? 61 THR A CG2 1 5: ATOM 480 N N . GLU A 1 62 ? 18.878 30.828 30.382 1.00 12.14 ? 62 GLU A N 1 5: ATOM 481 C CA . GLU A 1 62 ? 18.749 30.698 31.833 1.00 12.88 ? 62 GLU A CA 1 5: ATOM 482 C C . GLU A 1 62 ? 17.283 30.444 32.100 1.00 12.21 ? 62 GLU A C 1 5: ATOM 483 O O . GLU A 1 62 ? 16.450 31.270 31.745 1.00 13.95 ? 62 GLU A O 1 5: ATOM 484 C CB . GLU A 1 62 ? 19.151 31.990 32.538 1.00 16.15 ? 62 GLU A CB 1 5: ATOM 485 C CG . GLU A 1 62 ? 20.585 32.344 32.326 1.00 23.65 ? 62 GLU A CG 1 5: ATOM 486 C CD . GLU A 1 62 ? 20.961 33.649 32.979 1.00 29.90 ? 62 GLU A CD 1 5: ATOM 487 O OE1 . GLU A 1 62 ? 20.969 33.703 34.229 1.00 31.84 ? 62 GLU A OE1 1 5: ATOM 488 O OE2 . GLU A 1 62 ? 21.258 34.616 32.236 1.00 33.89 ? 62 GLU A OE2 1 5: ATOM 489 N N . ILE A 1 63 ? 16.943 29.292 32.657 1.00 10.43 ? 63 ILE A N 1 5: ATOM 490 C CA . ILE A 1 63 ? 15.548 29.021 32.946 1.00 11.02 ? 63 ILE A CA 1 5: ATOM 491 C C . ILE A 1 63 ? 15.352 28.816 34.446 1.00 11.60 ? 63 ILE A C 1 5: ATOM 492 O O . ILE A 1 63 ? 16.286 28.434 35.144 1.00 9.20 ? 63 ILE A O 1 5: ATOM 493 C CB . ILE A 1 63 ? 14.976 27.816 32.125 1.00 11.28 ? 63 ILE A CB 1 5: ATOM 494 C CG1 . ILE A 1 63 ? 15.717 26.519 32.431 1.00 10.60 ? 63 ILE A CG1 1 5: ATOM 495 C CG2 . ILE A 1 63 ? 15.020 28.129 30.638 1.00 11.62 ? 63 ILE A CG2 1 5: ATOM 496 C CD1 . ILE A 1 63 ? 15.126 25.293 31.720 1.00 13.40 ? 63 ILE A CD1 1 5: ATOM 497 N N . ASN A 1 64 ? 14.184 29.219 34.933 1.00 12.13 ? 64 ASN A N 1 5: ATOM 498 C CA . ASN A 1 64 ? 13.824 29.083 36.343 1.00 14.79 ? 64 ASN A CA 1 5: ATOM 499 C C . ASN A 1 64 ? 12.451 28.441 36.375 1.00 13.29 ? 64 ASN A C 1 5: ATOM 500 O O . ASN A 1 64 ? 11.490 28.976 35.802 1.00 13.29 ? 64 ASN A O 1 5: ATOM 501 C CB . ASN A 1 64 ? 13.732 30.450 37.054 1.00 16.87 ? 64 ASN A CB 1 5: ATOM 502 C CG . ASN A 1 64 ? 15.079 31.089 37.279 1.00 20.91 ? 64 ASN A CG 1 5: ATOM 503 O OD1 . ASN A 1 64 ? 15.775 30.764 38.238 1.00 22.91 ? 64 ASN A OD1 1 5: ATOM 504 N ND2 . ASN A 1 64 ? 15.459 32.007 36.393 1.00 22.20 ? 64 ASN A ND2 1 5: ATOM 505 N N . PHE A 1 65 ? 12.347 27.301 37.044 1.00 12.90 ? 65 PHE A N 1 5: ATOM 506 C CA . PHE A 1 65 ? 11.058 26.641 37.132 1.00 12.63 ? 65 PHE A CA 1 5: ATOM 507 C C . PHE A 1 65 ? 10.858 25.841 38.410 1.00 13.07 ? 65 PHE A C 1 5: ATOM 508 O O . PHE A 1 65 ? 11.811 25.531 39.121 1.00 12.50 ? 65 PHE A O 1 5: ATOM 509 C CB . PHE A 1 65 ? 10.829 25.731 35.922 1.00 11.31 ? 65 PHE A CB 1 5: ATOM 510 C CG . PHE A 1 65 ? 11.794 24.586 35.825 1.00 12.32 ? 65 PHE A CG 1 5: ATOM 511 C CD1 . PHE A 1 65 ? 11.549 23.386 36.494 1.00 10.31 ? 65 PHE A CD1 1 5: ATOM 512 C CD2 . PHE A 1 65 ? 12.947 24.706 35.070 1.00 11.23 ? 65 PHE A CD2 1 5: ATOM 513 C CE1 . PHE A 1 65 ? 12.441 22.329 36.413 1.00 11.00 ? 65 PHE A CE1 1 5: ATOM 514 C CE2 . PHE A 1 65 ? 13.847 23.645 34.984 1.00 11.69 ? 65 PHE A CE2 1 5: ATOM 515 C CZ . PHE A 1 65 ? 13.593 22.461 35.655 1.00 12.20 ? 65 PHE A CZ 1 5: ATOM 516 N N . LYS A 1 66 ? 9.599 25.560 38.713 1.00 13.15 ? 66 LYS A N 1 5: ATOM 517 C CA . LYS A 1 66 ? 9.251 24.735 39.849 1.00 13.41 ? 66 LYS A CA 1 5: ATOM 518 C C . LYS A 1 66 ? 8.555 23.552 39.178 1.00 12.17 ? 66 LYS A C 1 5: ATOM 519 O O . LYS A 1 66 ? 7.763 23.747 38.251 1.00 12.93 ? 66 LYS A O 1 5: ATOM 520 C CB . LYS A 1 66 ? 8.313 25.498 40.800 1.00 16.68 ? 66 LYS A CB 1 5: ATOM 521 C CG . LYS A 1 66 ? 7.722 24.639 41.907 1.00 24.60 ? 66 LYS A CG 1 5: ATOM 522 C CD . LYS A 1 66 ? 7.391 25.453 43.165 1.00 28.53 ? 66 LYS A CD 1 5: ATOM 523 C CE . LYS A 1 66 ? 6.664 24.585 44.213 1.00 32.17 ? 66 LYS A CE 1 5: ATOM 524 N NZ . LYS A 1 66 ? 7.393 23.332 44.604 1.00 32.54 ? 66 LYS A NZ 1 5: ATOM 525 N N . VAL A 1 67 ? 8.918 22.329 39.562 1.00 11.82 ? 67 VAL A N 1 5: ATOM 526 C CA . VAL A 1 67 ? 8.295 21.141 38.975 1.00 10.93 ? 67 VAL A CA 1 5: ATOM 527 C C . VAL A 1 67 ? 6.783 21.174 39.226 1.00 11.97 ? 67 VAL A C 1 5: ATOM 528 O O . VAL A 1 67 ? 6.343 21.480 40.342 1.00 13.54 ? 67 VAL A O 1 5: ATOM 529 C CB . VAL A 1 67 ? 8.908 19.827 39.541 1.00 10.09 ? 67 VAL A CB 1 5: ATOM 530 C CG1 . VAL A 1 67 ? 8.271 18.617 38.883 1.00 10.96 ? 67 VAL A CG1 1 5: ATOM 531 C CG2 . VAL A 1 67 ? 10.410 19.808 39.320 1.00 10.21 ? 67 VAL A CG2 1 5: ATOM 532 N N . GLY A 1 68 ? 6.006 20.965 38.160 1.00 9.80 ? 68 GLY A N 1 5: ATOM 533 C CA . GLY A 1 68 ? 4.557 20.962 38.265 1.00 9.33 ? 68 GLY A CA 1 5: ATOM 534 C C . GLY A 1 68 ? 3.887 22.298 38.031 1.00 10.60 ? 68 GLY A C 1 5: ATOM 535 O O . GLY A 1 68 ? 2.653 22.389 38.039 1.00 11.93 ? 68 GLY A O 1 5: ATOM 536 N N . GLU A 1 69 ? 4.688 23.337 37.809 1.00 11.12 ? 69 GLU A N 1 5: ATOM 537 C CA . GLU A 1 69 ? 4.165 24.682 37.553 1.00 12.64 ? 69 GLU A CA 1 5: ATOM 538 C C . GLU A 1 69 ? 4.604 25.185 36.184 1.00 13.09 ? 69 GLU A C 1 5: ATOM 539 O O . GLU A 1 69 ? 5.774 25.107 35.820 1.00 12.17 ? 69 GLU A O 1 5: ATOM 540 C CB . GLU A 1 69 ? 4.578 25.642 38.668 1.00 12.20 ? 69 GLU A CB 1 5: ATOM 541 C CG . GLU A 1 69 ? 3.857 25.282 39.964 1.00 17.44 ? 69 GLU A CG 1 5: ATOM 542 C CD . GLU A 1 69 ? 4.116 26.211 41.138 1.00 21.02 ? 69 GLU A CD 1 5: ATOM 543 O OE1 . GLU A 1 69 ? 4.496 27.384 40.945 1.00 21.43 ? 69 GLU A OE1 1 5: ATOM 544 O OE2 . GLU A 1 69 ? 3.902 25.753 42.282 1.00 23.44 ? 69 GLU A OE2 1 5: ATOM 545 N N . GLU A 1 70 ? 3.633 25.622 35.397 1.00 14.53 ? 70 GLU A N 1 5: ATOM 546 C CA . GLU A 1 70 ? 3.912 26.102 34.059 1.00 15.80 ? 70 GLU A CA 1 5: ATOM 547 C C . GLU A 1 70 ? 4.816 27.329 34.007 1.00 13.72 ? 70 GLU A C 1 5: ATOM 548 O O . GLU A 1 70 ? 4.761 28.208 34.863 1.00 13.66 ? 70 GLU A O 1 5: ATOM 549 C CB . GLU A 1 70 ? 2.606 26.359 33.320 1.00 19.99 ? 70 GLU A CB 1 5: ATOM 550 C CG . GLU A 1 70 ? 2.814 26.634 31.851 1.00 28.23 ? 70 GLU A CG 1 5: ATOM 551 C CD . GLU A 1 70 ? 1.518 26.678 31.097 1.00 32.73 ? 70 GLU A CD 1 5: ATOM 552 O OE1 . GLU A 1 70 ? 0.975 25.589 30.789 1.00 35.76 ? 70 GLU A OE1 1 5: ATOM 553 O OE2 . GLU A 1 70 ? 1.045 27.802 30.823 1.00 35.75 ? 70 GLU A OE2 1 5: ATOM 554 N N . PHE A 1 71 ? 5.713 27.340 33.028 1.00 12.80 ? 71 PHE A N 1 5: ATOM 555 C CA . PHE A 1 71 ? 6.638 28.448 32.837 1.00 12.36 ? 71 PHE A CA 1 5: ATOM 556 C C . PHE A 1 71 ? 6.856 28.678 31.350 1.00 12.97 ? 71 PHE A C 1 5: ATOM 557 O O . PHE A 1 71 ? 6.382 27.917 30.516 1.00 12.54 ? 71 PHE A O 1 5: ATOM 558 C CB . PHE A 1 71 ? 7.975 28.243 33.589 1.00 10.02 ? 71 PHE A CB 1 5: ATOM 559 C CG . PHE A 1 71 ? 8.851 27.148 33.033 1.00 10.48 ? 71 PHE A CG 1 5: ATOM 560 C CD1 . PHE A 1 71 ? 8.549 25.815 33.256 1.00 9.95 ? 71 PHE A CD1 1 5: ATOM 561 C CD2 . PHE A 1 71 ? 10.006 27.459 32.331 1.00 9.29 ? 71 PHE A CD2 1 5: ATOM 562 C CE1 . PHE A 1 71 ? 9.380 24.811 32.793 1.00 9.74 ? 71 PHE A CE1 1 5: ATOM 563 C CE2 . PHE A 1 71 ? 10.832 26.464 31.868 1.00 9.51 ? 71 PHE A CE2 1 5: ATOM 564 C CZ . PHE A 1 71 ? 10.518 25.136 32.102 1.00 8.47 ? 71 PHE A CZ 1 5: ATOM 565 N N . GLU A 1 72 ? 7.581 29.733 31.028 1.00 15.04 ? 72 GLU A N 1 5: ATOM 566 C CA . GLU A 1 72 ? 7.826 30.063 29.644 1.00 17.19 ? 72 GLU A CA 1 5: ATOM 567 C C . GLU A 1 72 ? 9.323 30.036 29.357 1.00 15.53 ? 72 GLU A C 1 5: ATOM 568 O O . GLU A 1 72 ? 10.130 30.511 30.158 1.00 16.16 ? 72 GLU A O 1 5: ATOM 569 C CB . GLU A 1 72 ? 7.248 31.448 29.379 1.00 22.03 ? 72 GLU A CB 1 5: ATOM 570 C CG . GLU A 1 72 ? 6.700 31.658 28.002 1.00 30.80 ? 72 GLU A CG 1 5: ATOM 571 C CD . GLU A 1 72 ? 6.157 33.060 27.827 1.00 34.75 ? 72 GLU A CD 1 5: ATOM 572 O OE1 . GLU A 1 72 ? 5.014 33.309 28.276 1.00 35.88 ? 72 GLU A OE1 1 5: ATOM 573 O OE2 . GLU A 1 72 ? 6.885 33.912 27.255 1.00 38.91 ? 72 GLU A OE2 1 5: ATOM 574 N N . GLU A 1 73 ? 9.691 29.378 28.263 1.00 13.46 ? 73 GLU A N 1 5: ATOM 575 C CA . GLU A 1 73 ? 11.088 29.302 27.836 1.00 13.89 ? 73 GLU A CA 1 5: ATOM 576 C C . GLU A 1 73 ? 11.083 29.318 26.301 1.00 13.70 ? 73 GLU A C 1 5: ATOM 577 O O . GLU A 1 73 ? 10.159 29.859 25.690 1.00 13.63 ? 73 GLU A O 1 5: ATOM 578 C CB . GLU A 1 73 ? 11.780 28.032 28.379 1.00 12.63 ? 73 GLU A CB 1 5: ATOM 579 C CG . GLU A 1 73 ? 11.145 26.706 27.986 1.00 10.55 ? 73 GLU A CG 1 5: ATOM 580 C CD . GLU A 1 73 ? 11.997 25.499 28.366 1.00 8.94 ? 73 GLU A CD 1 5: ATOM 581 O OE1 . GLU A 1 73 ? 13.191 25.650 28.642 1.00 12.29 ? 73 GLU A OE1 1 5: ATOM 582 O OE2 . GLU A 1 73 ? 11.485 24.374 28.363 1.00 10.37 ? 73 GLU A OE2 1 5: ATOM 583 N N . GLN A 1 74 ? 12.115 28.751 25.685 1.00 13.09 ? 74 GLN A N 1 5: ATOM 584 C CA . GLN A 1 74 ? 12.187 28.691 24.239 1.00 13.16 ? 74 GLN A CA 1 5: ATOM 585 C C . GLN A 1 74 ? 12.618 27.315 23.806 1.00 12.86 ? 74 GLN A C 1 5: ATOM 586 O O . GLN A 1 74 ? 13.290 26.596 24.552 1.00 13.17 ? 74 GLN A O 1 5: ATOM 587 C CB . GLN A 1 74 ? 13.218 29.685 23.706 1.00 15.91 ? 74 GLN A CB 1 5: ATOM 588 C CG . GLN A 1 74 ? 12.803 31.133 23.779 1.00 19.68 ? 74 GLN A CG 1 5: ATOM 589 C CD . GLN A 1 74 ? 13.827 32.066 23.159 1.00 21.00 ? 74 GLN A CD 1 5: ATOM 590 O OE1 . GLN A 1 74 ? 15.010 31.730 23.024 1.00 22.37 ? 74 GLN A OE1 1 5: ATOM 591 N NE2 . GLN A 1 74 ? 13.373 33.247 22.774 1.00 24.07 ? 74 GLN A NE2 1 5: ATOM 592 N N . THR A 1 75 ? 12.229 26.935 22.600 1.00 10.98 ? 75 THR A N 1 5: ATOM 593 C CA . THR A 1 75 ? 12.664 25.656 22.056 1.00 11.83 ? 75 THR A CA 1 5: ATOM 594 C C . THR A 1 75 ? 14.162 25.828 21.729 1.00 11.24 ? 75 THR A C 1 5: ATOM 595 O O . THR A 1 75 ? 14.681 26.951 21.764 1.00 9.95 ? 75 THR A O 1 5: ATOM 596 C CB . THR A 1 75 ? 11.895 25.325 20.757 1.00 11.93 ? 75 THR A CB 1 5: ATOM 597 O OG1 . THR A 1 75 ? 12.123 26.366 19.795 1.00 13.31 ? 75 THR A OG1 1 5: ATOM 598 C CG2 . THR A 1 75 ? 10.396 25.202 21.042 1.00 13.29 ? 75 THR A CG2 1 5: ATOM 599 N N . VAL A 1 76 ? 14.841 24.731 21.377 1.00 13.77 ? 76 VAL A N 1 5: ATOM 600 C CA . VAL A 1 76 ? 16.278 24.762 21.049 1.00 14.39 ? 76 VAL A CA 1 5: ATOM 601 C C . VAL A 1 76 ? 16.612 25.734 19.914 1.00 12.97 ? 76 VAL A C 1 5: ATOM 602 O O . VAL A 1 76 ? 17.639 26.407 19.956 1.00 13.75 ? 76 VAL A O 1 5: ATOM 603 C CB . VAL A 1 76 ? 16.827 23.351 20.680 1.00 15.44 ? 76 VAL A CB 1 5: ATOM 604 C CG1 . VAL A 1 76 ? 18.332 23.314 20.844 1.00 17.74 ? 76 VAL A CG1 1 5: ATOM 605 C CG2 . VAL A 1 76 ? 16.218 22.293 21.548 1.00 19.99 ? 76 VAL A CG2 1 5: ATOM 606 N N . ASP A 1 77 ? 15.730 25.824 18.921 1.00 13.67 ? 77 ASP A N 1 5: ATOM 607 C CA . ASP A 1 77 ? 15.933 26.727 17.789 1.00 14.47 ? 77 ASP A CA 1 5: ATOM 608 C C . ASP A 1 77 ? 15.486 28.172 18.061 1.00 15.23 ? 77 ASP A C 1 5: ATOM 609 O O . ASP A 1 77 ? 15.461 29.002 17.153 1.00 14.90 ? 77 ASP A O 1 5: ATOM 610 C CB . ASP A 1 77 ? 15.301 26.158 16.503 1.00 15.63 ? 77 ASP A CB 1 5: ATOM 611 C CG . ASP A 1 77 ? 13.790 26.007 16.585 1.00 15.92 ? 77 ASP A CG 1 5: ATOM 612 O OD1 . ASP A 1 77 ? 13.260 25.470 17.586 1.00 14.64 ? 77 ASP A OD1 1 5: ATOM 613 O OD2 . ASP A 1 77 ? 13.123 26.409 15.613 1.00 17.79 ? 77 ASP A OD2 1 5: ATOM 614 N N . GLY A 1 78 ? 15.095 28.445 19.312 1.00 15.17 ? 78 GLY A N 1 5: ATOM 615 C CA . GLY A 1 78 ? 14.709 29.790 19.726 1.00 15.90 ? 78 GLY A CA 1 5: ATOM 616 C C . GLY A 1 78 ? 13.268 30.281 19.701 1.00 16.89 ? 78 GLY A C 1 5: ATOM 617 O O . GLY A 1 78 ? 13.038 31.489 19.790 1.00 19.37 ? 78 GLY A O 1 5: ATOM 618 N N . ARG A 1 79 ? 12.292 29.389 19.620 1.00 16.76 ? 79 ARG A N 1 5: ATOM 619 C CA . ARG A 1 79 ? 10.896 29.822 19.587 1.00 18.08 ? 79 ARG A CA 1 5: ATOM 620 C C . ARG A 1 79 ? 10.229 29.768 20.961 1.00 16.55 ? 79 ARG A C 1 5: ATOM 621 O O . ARG A 1 79 ? 10.379 28.787 21.680 1.00 16.57 ? 79 ARG A O 1 5: ATOM 622 C CB . ARG A 1 79 ? 10.112 28.961 18.604 1.00 20.74 ? 79 ARG A CB 1 5: ATOM 623 C CG . ARG A 1 79 ? 10.667 28.997 17.194 1.00 25.89 ? 79 ARG A CG 1 5: ATOM 624 C CD . ARG A 1 79 ? 9.986 27.976 16.310 1.00 29.77 ? 79 ARG A CD 1 5: ATOM 625 N NE . ARG A 1 79 ? 10.144 26.626 16.842 1.00 34.52 ? 79 ARG A NE 1 5: ATOM 626 C CZ . ARG A 1 79 ? 10.128 25.516 16.109 1.00 35.90 ? 79 ARG A CZ 1 5: ATOM 627 N NH1 . ARG A 1 79 ? 9.971 25.580 14.789 1.00 37.70 ? 79 ARG A NH1 1 5: ATOM 628 N NH2 . ARG A 1 79 ? 10.266 24.337 16.702 1.00 35.58 ? 79 ARG A NH2 1 5: ATOM 629 N N . PRO A 1 80 ? 9.501 30.830 21.352 1.00 15.98 ? 80 PRO A N 1 5: ATOM 630 C CA . PRO A 1 80 ? 8.819 30.867 22.651 1.00 15.47 ? 80 PRO A CA 1 5: ATOM 631 C C . PRO A 1 80 ? 7.825 29.725 22.833 1.00 14.23 ? 80 PRO A C 1 5: ATOM 632 O O . PRO A 1 80 ? 7.058 29.393 21.926 1.00 14.56 ? 80 PRO A O 1 5: ATOM 633 C CB . PRO A 1 80 ? 8.100 32.220 22.628 1.00 15.48 ? 80 PRO A CB 1 5: ATOM 634 C CG . PRO A 1 80 ? 9.010 33.057 21.846 1.00 18.18 ? 80 PRO A CG 1 5: ATOM 635 C CD . PRO A 1 80 ? 9.418 32.145 20.696 1.00 17.08 ? 80 PRO A CD 1 5: ATOM 636 N N . CYS A 1 81 ? 7.817 29.148 24.028 1.00 13.52 ? 81 CYS A N 1 5: ATOM 637 C CA . CYS A 1 81 ? 6.914 28.055 24.331 1.00 12.41 ? 81 CYS A CA 1 5: ATOM 638 C C . CYS A 1 81 ? 6.548 28.054 25.811 1.00 12.52 ? 81 CYS A C 1 5: ATOM 639 O O . CYS A 1 81 ? 7.202 28.718 26.624 1.00 11.74 ? 81 CYS A O 1 5: ATOM 640 C CB . CYS A 1 81 ? 7.563 26.705 23.950 1.00 11.59 ? 81 CYS A CB 1 5: ATOM 641 S SG . CYS A 1 81 ? 9.063 26.255 24.894 1.00 12.86 ? 81 CYS A SG 1 5: ATOM 642 N N . LYS A 1 82 ? 5.448 27.379 26.121 1.00 13.86 ? 82 LYS A N 1 5: ATOM 643 C CA . LYS A 1 82 ? 4.988 27.197 27.492 1.00 14.38 ? 82 LYS A CA 1 5: ATOM 644 C C . LYS A 1 82 ? 5.436 25.779 27.839 1.00 13.51 ? 82 LYS A C 1 5: ATOM 645 O O . LYS A 1 82 ? 5.227 24.842 27.063 1.00 12.69 ? 82 LYS A O 1 5: ATOM 646 C CB . LYS A 1 82 ? 3.473 27.299 27.589 1.00 18.36 ? 82 LYS A CB 1 5: ATOM 647 C CG . LYS A 1 82 ? 2.940 28.716 27.584 1.00 26.02 ? 82 LYS A CG 1 5: ATOM 648 C CD . LYS A 1 82 ? 3.353 29.506 28.826 1.00 31.13 ? 82 LYS A CD 1 5: ATOM 649 C CE . LYS A 1 82 ? 2.686 30.894 28.832 1.00 35.39 ? 82 LYS A CE 1 5: ATOM 650 N NZ . LYS A 1 82 ? 2.868 31.652 30.120 1.00 37.63 ? 82 LYS A NZ 1 5: ATOM 651 N N . SER A 1 83 ? 6.110 25.638 28.974 1.00 11.15 ? 83 SER A N 1 5: ATOM 652 C CA . SER A 1 83 ? 6.624 24.352 29.397 1.00 10.10 ? 83 SER A CA 1 5: ATOM 653 C C . SER A 1 83 ? 6.083 23.931 30.752 1.00 11.16 ? 83 SER A C 1 5: ATOM 654 O O . SER A 1 83 ? 5.721 24.769 31.575 1.00 10.21 ? 83 SER A O 1 5: ATOM 655 C CB . SER A 1 83 ? 8.149 24.418 29.446 1.00 10.30 ? 83 SER A CB 1 5: ATOM 656 O OG . SER A 1 83 ? 8.686 24.518 28.132 1.00 11.50 ? 83 SER A OG 1 5: ATOM 657 N N . LEU A 1 84 ? 6.028 22.620 30.954 1.00 11.17 ? 84 LEU A N 1 5: ATOM 658 C CA . LEU A 1 84 ? 5.557 22.016 32.192 1.00 11.84 ? 84 LEU A CA 1 5: ATOM 659 C C . LEU A 1 84 ? 6.427 20.793 32.470 1.00 10.42 ? 84 LEU A C 1 5: ATOM 660 O O . LEU A 1 84 ? 6.444 19.846 31.684 1.00 11.20 ? 84 LEU A O 1 5: ATOM 661 C CB . LEU A 1 84 ? 4.091 21.576 32.067 1.00 13.44 ? 84 LEU A CB 1 5: ATOM 662 C CG . LEU A 1 84 ? 3.552 20.784 33.270 1.00 15.74 ? 84 LEU A CG 1 5: ATOM 663 C CD1 . LEU A 1 84 ? 3.515 21.683 34.484 1.00 16.96 ? 84 LEU A CD1 1 5: ATOM 664 C CD2 . LEU A 1 84 ? 2.178 20.231 32.982 1.00 18.76 ? 84 LEU A CD2 1 5: ATOM 665 N N . VAL A 1 85 ? 7.146 20.828 33.589 1.00 9.60 ? 85 VAL A N 1 5: ATOM 666 C CA . VAL A 1 85 ? 8.028 19.738 34.006 1.00 9.50 ? 85 VAL A CA 1 5: ATOM 667 C C . VAL A 1 85 ? 7.344 18.878 35.082 1.00 9.74 ? 85 VAL A C 1 5: ATOM 668 O O . VAL A 1 85 ? 6.680 19.404 35.985 1.00 9.28 ? 85 VAL A O 1 5: ATOM 669 C CB . VAL A 1 85 ? 9.384 20.291 34.598 1.00 8.89 ? 85 VAL A CB 1 5: ATOM 670 C CG1 . VAL A 1 85 ? 10.327 19.140 34.970 1.00 8.20 ? 85 VAL A CG1 1 5: ATOM 671 C CG2 . VAL A 1 85 ? 10.062 21.227 33.612 1.00 8.48 ? 85 VAL A CG2 1 5: ATOM 672 N N . LYS A 1 86 ? 7.504 17.563 34.971 1.00 9.96 ? 86 LYS A N 1 5: ATOM 673 C CA . LYS A 1 86 ? 6.946 16.621 35.945 1.00 11.92 ? 86 LYS A CA 1 5: ATOM 674 C C . LYS A 1 86 ? 8.003 15.558 36.247 1.00 11.88 ? 86 LYS A C 1 5: ATOM 675 O O . LYS A 1 86 ? 8.917 15.340 35.453 1.00 11.00 ? 86 LYS A O 1 5: ATOM 676 C CB . LYS A 1 86 ? 5.700 15.911 35.385 1.00 12.40 ? 86 LYS A CB 1 5: ATOM 677 C CG . LYS A 1 86 ? 4.538 16.819 35.058 1.00 16.01 ? 86 LYS A CG 1 5: ATOM 678 C CD . LYS A 1 86 ? 3.333 16.017 34.559 1.00 21.36 ? 86 LYS A CD 1 5: ATOM 679 C CE . LYS A 1 86 ? 2.140 16.939 34.345 1.00 23.23 ? 86 LYS A CE 1 5: ATOM 680 N NZ . LYS A 1 86 ? 0.919 16.212 33.929 1.00 28.41 ? 86 LYS A NZ 1 5: ATOM 681 N N . TRP A 1 87 ? 7.868 14.889 37.386 1.00 10.75 ? 87 TRP A N 1 5: ATOM 682 C CA . TRP A 1 87 ? 8.775 13.811 37.738 1.00 9.53 ? 87 TRP A CA 1 5: ATOM 683 C C . TRP A 1 87 ? 8.238 12.559 37.052 1.00 9.89 ? 87 TRP A C 1 5: ATOM 684 O O . TRP A 1 87 ? 7.144 12.107 37.370 1.00 11.80 ? 87 TRP A O 1 5: ATOM 685 C CB . TRP A 1 87 ? 8.791 13.569 39.268 1.00 8.76 ? 87 TRP A CB 1 5: ATOM 686 C CG . TRP A 1 87 ? 9.494 14.641 40.062 1.00 8.86 ? 87 TRP A CG 1 5: ATOM 687 C CD1 . TRP A 1 87 ? 8.923 15.525 40.939 1.00 8.80 ? 87 TRP A CD1 1 5: ATOM 688 C CD2 . TRP A 1 87 ? 10.889 14.990 39.992 1.00 9.42 ? 87 TRP A CD2 1 5: ATOM 689 N NE1 . TRP A 1 87 ? 9.872 16.410 41.400 1.00 8.01 ? 87 TRP A NE1 1 5: ATOM 690 C CE2 . TRP A 1 87 ? 11.086 16.103 40.835 1.00 10.85 ? 87 TRP A CE2 1 5: ATOM 691 C CE3 . TRP A 1 87 ? 11.985 14.475 39.283 1.00 9.60 ? 87 TRP A CE3 1 5: ATOM 692 C CZ2 . TRP A 1 87 ? 12.340 16.716 40.994 1.00 11.45 ? 87 TRP A CZ2 1 5: ATOM 693 C CZ3 . TRP A 1 87 ? 13.230 15.084 39.438 1.00 10.72 ? 87 TRP A CZ3 1 3/8 Test #4: model-test ....................... Passed 0.19 sec 5: ATOM 694 C CH2 . TRP A 1 87 ? 13.395 16.192 40.289 1.00 11.78 ? 87 TRP A CH2 1 5: ATOM 695 N N . GLU A 1 88 ? 8.954 12.040 36.064 1.00 9.93 ? 88 GLU A N 1 5: ATOM 696 C CA . GLU A 1 88 ? 8.526 10.807 35.416 1.00 11.30 ? 88 GLU A CA 1 5: ATOM 697 C C . GLU A 1 88 ? 8.826 9.726 36.448 1.00 11.75 ? 88 GLU A C 1 5: ATOM 698 O O . GLU A 1 88 ? 8.068 8.784 36.623 1.00 12.78 ? 88 GLU A O 1 5: ATOM 699 C CB . GLU A 1 88 ? 9.337 10.541 34.156 1.00 13.50 ? 88 GLU A CB 1 5: ATOM 700 C CG . GLU A 1 88 ? 8.917 9.261 33.454 1.00 18.67 ? 88 GLU A CG 1 5: ATOM 701 C CD . GLU A 1 88 ? 9.756 8.958 32.226 1.00 23.49 ? 88 GLU A CD 1 5: ATOM 702 O OE1 . GLU A 1 88 ? 9.581 9.650 31.205 1.00 26.53 ? 88 GLU A OE1 1 5: ATOM 703 O OE2 . GLU A 1 88 ? 10.587 8.025 32.276 1.00 26.54 ? 88 GLU A OE2 1 5: ATOM 704 N N . SER A 1 89 ? 9.972 9.870 37.103 1.00 11.49 ? 89 SER A N 1 5: ATOM 705 C CA . SER A 1 89 ? 10.402 8.954 38.158 1.00 11.10 ? 89 SER A CA 1 5: ATOM 706 C C . SER A 1 89 ? 11.206 9.776 39.163 1.00 11.14 ? 89 SER A C 1 5: ATOM 707 O O . SER A 1 89 ? 11.397 10.983 38.979 1.00 9.92 ? 89 SER A O 1 5: ATOM 708 C CB . SER A 1 89 ? 11.221 7.778 37.604 1.00 12.43 ? 89 SER A CB 1 5: ATOM 709 O OG . SER A 1 89 ? 12.396 8.215 36.947 1.00 14.39 ? 89 SER A OG 1 5: ATOM 710 N N . GLU A 1 90 ? 11.674 9.130 40.227 1.00 10.17 ? 90 GLU A N 1 5: ATOM 711 C CA . GLU A 1 90 ? 12.433 9.826 41.254 1.00 10.83 ? 90 GLU A CA 1 5: ATOM 712 C C . GLU A 1 90 ? 13.657 10.629 40.772 1.00 9.86 ? 90 GLU A C 1 5: ATOM 713 O O . GLU A 1 90 ? 13.932 11.715 41.289 1.00 10.30 ? 90 GLU A O 1 5: ATOM 714 C CB . GLU A 1 90 ? 12.858 8.846 42.348 1.00 11.92 ? 90 GLU A CB 1 5: ATOM 715 C CG . GLU A 1 90 ? 13.536 9.572 43.487 1.00 16.53 ? 90 GLU A CG 1 5: ATOM 716 C CD . GLU A 1 90 ? 13.912 8.671 44.644 1.00 19.80 ? 90 GLU A CD 1 5: ATOM 717 O OE1 . GLU A 1 90 ? 14.122 7.464 44.426 1.00 21.18 ? 90 GLU A OE1 1 5: ATOM 718 O OE2 . GLU A 1 90 ? 14.012 9.187 45.774 1.00 22.91 ? 90 GLU A OE2 1 5: ATOM 719 N N . ASN A 1 91 ? 14.376 10.102 39.783 1.00 8.79 ? 91 ASN A N 1 5: ATOM 720 C CA . ASN A 1 91 ? 15.578 10.767 39.274 1.00 10.50 ? 91 ASN A CA 1 5: ATOM 721 C C . ASN A 1 91 ? 15.455 11.289 37.855 1.00 9.69 ? 91 ASN A C 1 5: ATOM 722 O O . ASN A 1 91 ? 16.467 11.627 37.246 1.00 7.10 ? 91 ASN A O 1 5: ATOM 723 C CB . ASN A 1 91 ? 16.760 9.798 39.305 1.00 14.33 ? 91 ASN A CB 1 5: ATOM 724 C CG . ASN A 1 91 ? 17.064 9.307 40.693 1.00 17.71 ? 91 ASN A CG 1 5: ATOM 725 O OD1 . ASN A 1 91 ? 17.445 10.087 41.560 1.00 20.87 ? 91 ASN A OD1 1 5: ATOM 726 N ND2 . ASN A 1 91 ? 16.855 8.016 40.928 1.00 19.39 ? 91 ASN A ND2 1 5: ATOM 727 N N . LYS A 1 92 ? 14.230 11.387 37.352 1.00 8.60 ? 92 LYS A N 1 5: ATOM 728 C CA . LYS A 1 92 ? 14.016 11.835 35.981 1.00 8.88 ? 92 LYS A CA 1 5: ATOM 729 C C . LYS A 1 92 ? 12.861 12.812 35.807 1.00 8.61 ? 92 LYS A C 1 5: ATOM 730 O O . LYS A 1 92 ? 11.721 12.511 36.168 1.00 8.95 ? 92 LYS A O 1 5: ATOM 731 C CB . LYS A 1 92 ? 13.781 10.626 35.078 1.00 9.10 ? 92 LYS A CB 1 5: ATOM 732 C CG . LYS A 1 92 ? 13.566 10.996 33.618 1.00 11.95 ? 92 LYS A CG 1 5: ATOM 733 C CD . LYS A 1 92 ? 13.467 9.762 32.759 1.00 14.04 ? 92 LYS A CD 1 5: ATOM 734 C CE . LYS A 1 92 ? 13.333 10.124 31.299 1.00 16.33 ? 92 LYS A CE 1 5: ATOM 735 N NZ . LYS A 1 92 ? 13.129 8.884 30.506 1.00 17.37 ? 92 LYS A NZ 1 5: ATOM 736 N N . MET A 1 93 ? 13.172 13.988 35.268 1.00 7.58 ? 93 MET A N 1 5: ATOM 737 C CA . MET A 1 93 ? 12.159 14.985 34.995 1.00 8.21 ? 93 MET A CA 1 5: ATOM 738 C C . MET A 1 93 ? 11.915 15.038 33.496 1.00 9.18 ? 93 MET A C 1 5: ATOM 739 O O . MET A 1 93 ? 12.833 14.838 32.690 1.00 7.74 ? 93 MET A O 1 5: ATOM 740 C CB . MET A 1 93 ? 12.565 16.359 35.523 1.00 9.68 ? 93 MET A CB 1 5: ATOM 741 C CG . MET A 1 93 ? 13.826 16.925 34.937 1.00 13.16 ? 93 MET A CG 1 5: ATOM 742 S SD . MET A 1 93 ? 14.238 18.543 35.628 1.00 17.49 ? 93 MET A SD 1 5: ATOM 743 C CE . MET A 1 93 ? 15.009 18.106 37.076 1.00 18.53 ? 93 MET A CE 1 5: ATOM 744 N N . VAL A 1 94 ? 10.658 15.239 33.128 1.00 9.48 ? 94 VAL A N 1 5: ATOM 745 C CA . VAL A 1 94 ? 10.266 15.334 31.726 1.00 9.55 ? 94 VAL A CA 1 5: ATOM 746 C C . VAL A 1 94 ? 9.516 16.639 31.528 1.00 10.10 ? 94 VAL A C 1 5: ATOM 747 O O . VAL A 1 94 ? 8.683 17.024 32.364 1.00 9.47 ? 94 VAL A O 1 5: ATOM 748 C CB . VAL A 1 94 ? 9.371 14.164 31.315 1.00 11.05 ? 94 VAL A CB 1 5: ATOM 749 C CG1 . VAL A 1 94 ? 8.878 14.354 29.878 1.00 12.88 ? 94 VAL A CG1 1 5: ATOM 750 C CG2 . VAL A 1 94 ? 10.147 12.866 31.420 1.00 14.00 ? 94 VAL A CG2 1 5: ATOM 751 N N . CYS A 1 95 ? 9.802 17.312 30.413 1.00 9.49 ? 95 CYS A N 1 5: ATOM 752 C CA . CYS A 1 95 ? 9.169 18.582 30.094 1.00 8.82 ? 95 CYS A CA 1 5: ATOM 753 C C . CYS A 1 95 ? 8.431 18.559 28.758 1.00 11.70 ? 95 CYS A C 1 5: ATOM 754 O O . CYS A 1 95 ? 9.014 18.215 27.723 1.00 12.29 ? 95 CYS A O 1 5: ATOM 755 C CB . CYS A 1 95 ? 10.229 19.679 30.059 1.00 8.79 ? 95 CYS A CB 1 5: ATOM 756 S SG . CYS A 1 95 ? 9.620 21.322 29.690 1.00 10.97 ? 95 CYS A SG 1 5: ATOM 757 N N . GLU A 1 96 ? 7.149 18.902 28.791 1.00 10.87 ? 96 GLU A N 1 5: ATOM 758 C CA . GLU A 1 96 ? 6.342 18.962 27.587 1.00 14.78 ? 96 GLU A CA 1 5: ATOM 759 C C . GLU A 1 96 ? 6.267 20.439 27.182 1.00 13.83 ? 96 GLU A C 1 5: ATOM 760 O O . GLU A 1 96 ? 6.044 21.311 28.030 1.00 12.79 ? 96 GLU A O 1 5: ATOM 761 C CB . GLU A 1 96 ? 4.957 18.397 27.885 1.00 20.21 ? 96 GLU A CB 1 5: ATOM 762 C CG . GLU A 1 96 ? 3.981 18.432 26.726 1.00 32.46 ? 96 GLU A CG 1 5: ATOM 763 C CD . GLU A 1 96 ? 2.646 17.765 27.065 1.00 38.97 ? 96 GLU A CD 1 5: ATOM 764 O OE1 . GLU A 1 96 ? 2.053 18.108 28.128 1.00 42.61 ? 96 GLU A OE1 1 5: ATOM 765 O OE2 . GLU A 1 96 ? 2.201 16.892 26.271 1.00 42.17 ? 96 GLU A OE2 1 5: ATOM 766 N N . GLN A 1 97 ? 6.513 20.725 25.903 1.00 13.39 ? 97 GLN A N 1 5: ATOM 767 C CA . GLN A 1 97 ? 6.489 22.100 25.402 1.00 13.55 ? 97 GLN A CA 1 5: ATOM 768 C C . GLN A 1 97 ? 5.357 22.334 24.400 1.00 15.88 ? 97 GLN A C 1 5: ATOM 769 O O . GLN A 1 97 ? 5.013 21.455 23.591 1.00 16.25 ? 97 GLN A O 1 5: ATOM 770 C CB . GLN A 1 97 ? 7.823 22.465 24.747 1.00 12.20 ? 97 GLN A CB 1 5: ATOM 771 C CG . GLN A 1 97 ? 9.033 22.324 25.650 1.00 12.55 ? 97 GLN A CG 1 5: ATOM 772 C CD . GLN A 1 97 ? 10.321 22.613 24.927 1.00 14.20 ? 97 GLN A CD 1 5: ATOM 773 O OE1 . GLN A 1 97 ? 10.478 22.288 23.749 1.00 12.94 ? 97 GLN A OE1 1 5: ATOM 774 N NE2 . GLN A 1 97 ? 11.260 23.235 25.627 1.00 14.75 ? 97 GLN A NE2 1 5: ATOM 775 N N . LYS A 1 98 ? 4.801 23.541 24.450 1.00 17.30 ? 98 LYS A N 1 5: ATOM 776 C CA . LYS A 1 98 ? 3.696 23.952 23.582 1.00 19.78 ? 98 LYS A CA 1 5: ATOM 777 C C . LYS A 1 98 ? 3.990 25.340 23.019 1.00 18.56 ? 98 LYS A C 1 5: ATOM 778 O O . LYS A 1 98 ? 4.162 26.293 23.771 1.00 17.70 ? 98 LYS A O 1 5: ATOM 779 C CB . LYS A 1 98 ? 2.389 23.953 24.389 1.00 23.30 ? 98 LYS A CB 1 5: ATOM 780 C CG . LYS A 1 98 ? 1.294 24.857 23.867 1.00 30.94 ? 98 LYS A CG 1 5: ATOM 781 C CD . LYS A 1 98 ? 0.210 25.047 24.934 1.00 37.10 ? 98 LYS A CD 1 5: ATOM 782 C CE . LYS A 1 98 ? -0.849 26.072 24.520 1.00 39.73 ? 98 LYS A CE 1 5: ATOM 783 N NZ . LYS A 1 98 ? -0.326 27.476 24.541 1.00 42.46 ? 98 LYS A NZ 1 5: ATOM 784 N N . LEU A 1 99 ? 4.073 25.445 21.696 1.00 19.35 ? 99 LEU A N 1 5: ATOM 785 C CA . LEU A 1 99 ? 4.357 26.721 21.041 1.00 21.32 ? 99 LEU A CA 1 5: ATOM 786 C C . LEU A 1 99 ? 3.307 27.770 21.351 1.00 22.86 ? 99 LEU A C 1 5: ATOM 787 O O . LEU A 1 99 ? 2.108 27.496 21.261 1.00 23.41 ? 99 LEU A O 1 5: ATOM 788 C CB . LEU A 1 99 ? 4.466 26.542 19.526 1.00 22.09 ? 99 LEU A CB 1 5: ATOM 789 C CG . LEU A 1 99 ? 5.692 25.792 18.997 1.00 22.72 ? 99 LEU A CG 1 5: ATOM 790 C CD1 . LEU A 1 99 ? 5.585 25.639 17.490 1.00 23.04 ? 99 LEU A CD1 1 5: ATOM 791 C CD2 . LEU A 1 99 ? 6.951 26.548 19.372 1.00 23.61 ? 99 LEU A CD2 1 5: ATOM 792 N N . LEU A 1 100 ? 3.767 28.962 21.722 1.00 24.11 ? 100 LEU A N 1 5: ATOM 793 C CA . LEU A 1 100 ? 2.879 30.070 22.051 1.00 27.59 ? 100 LEU A CA 1 5: ATOM 794 C C . LEU A 1 100 ? 2.130 30.545 20.815 1.00 30.94 ? 100 LEU A C 1 5: ATOM 795 O O . LEU A 1 100 ? 0.951 30.908 20.877 1.00 31.34 ? 100 LEU A O 1 5: ATOM 796 C CB . LEU A 1 100 ? 3.680 31.227 22.640 1.00 25.50 ? 100 LEU A CB 1 5: ATOM 797 C CG . LEU A 1 100 ? 4.254 30.947 24.020 1.00 24.80 ? 100 LEU A CG 1 5: ATOM 798 C CD1 . LEU A 1 100 ? 4.960 32.171 24.542 1.00 26.59 ? 100 LEU A CD1 1 5: ATOM 799 C CD2 . LEU A 1 100 ? 3.141 30.554 24.935 1.00 24.80 ? 100 LEU A CD2 1 5: ATOM 800 N N . LYS A 1 101 ? 2.835 30.531 19.689 1.00 34.60 ? 101 LYS A N 1 5: ATOM 801 C CA . LYS A 1 101 ? 2.282 30.961 18.413 1.00 37.81 ? 101 LYS A CA 1 5: ATOM 802 C C . LYS A 1 101 ? 2.847 30.088 17.292 1.00 37.39 ? 101 LYS A C 1 5: ATOM 803 O O . LYS A 1 101 ? 4.019 29.687 17.319 1.00 37.22 ? 101 LYS A O 1 5: ATOM 804 C CB . LYS A 1 101 ? 2.653 32.429 18.147 1.00 40.57 ? 101 LYS A CB 1 5: ATOM 805 C CG . LYS A 1 101 ? 2.182 33.426 19.212 1.00 45.13 ? 101 LYS A CG 1 5: ATOM 806 C CD . LYS A 1 101 ? 2.955 34.741 19.125 1.00 48.57 ? 101 LYS A CD 1 5: ATOM 807 C CE . LYS A 1 101 ? 4.479 34.527 19.248 1.00 51.31 ? 101 LYS A CE 1 5: ATOM 808 N NZ . LYS A 1 101 ? 4.917 33.952 20.559 1.00 51.14 ? 101 LYS A NZ 1 5: ATOM 809 N N . GLY A 1 102 ? 1.997 29.786 16.318 1.00 37.21 ? 102 GLY A N 1 5: ATOM 810 C CA . GLY A 1 102 ? 2.423 28.993 15.184 1.00 36.82 ? 102 GLY A CA 1 5: ATOM 811 C C . GLY A 1 102 ? 2.333 27.494 15.344 1.00 36.36 ? 102 GLY A C 1 5: ATOM 812 O O . GLY A 1 102 ? 1.690 26.977 16.265 1.00 35.74 ? 102 GLY A O 1 5: ATOM 813 N N . GLU A 1 103 ? 2.954 26.803 14.395 1.00 35.74 ? 103 GLU A N 1 5: ATOM 814 C CA . GLU A 1 103 ? 2.988 25.348 14.377 1.00 35.50 ? 103 GLU A CA 1 5: ATOM 815 C C . GLU A 1 103 ? 4.418 24.880 14.140 1.00 31.92 ? 103 GLU A C 1 5: ATOM 816 O O . GLU A 1 103 ? 5.281 25.654 13.723 1.00 31.61 ? 103 GLU A O 1 5: ATOM 817 C CB . GLU A 1 103 ? 2.077 24.784 13.274 1.00 39.37 ? 103 GLU A CB 1 5: ATOM 818 C CG . GLU A 1 103 ? 0.652 24.422 13.712 1.00 45.52 ? 103 GLU A CG 1 5: ATOM 819 C CD . GLU A 1 103 ? -0.383 25.503 13.395 1.00 50.23 ? 103 GLU A CD 1 5: ATOM 820 O OE1 . GLU A 1 103 ? -0.130 26.346 12.499 1.00 53.12 ? 103 GLU A OE1 1 5: ATOM 821 O OE2 . GLU A 1 103 ? -1.464 25.500 14.036 1.00 52.16 ? 103 GLU A OE2 1 5: ATOM 822 N N . GLY A 1 104 ? 4.653 23.604 14.414 1.00 28.97 ? 104 GLY A N 1 5: ATOM 823 C CA . GLY A 1 104 ? 5.967 23.024 14.231 1.00 25.41 ? 104 GLY A CA 1 5: ATOM 824 C C . GLY A 1 104 ? 6.012 21.648 14.863 1.00 22.09 ? 104 GLY A C 1 5: ATOM 825 O O . GLY A 1 104 ? 4.987 21.160 15.347 1.00 21.89 ? 104 GLY A O 1 5: ATOM 826 N N . PRO A 1 105 ? 7.176 20.976 14.832 1.00 19.50 ? 105 PRO A N 1 5: ATOM 827 C CA . PRO A 1 105 ? 7.338 19.640 15.418 1.00 17.92 ? 105 PRO A CA 1 5: ATOM 828 C C . PRO A 1 105 ? 7.020 19.664 16.914 1.00 15.61 ? 105 PRO A C 1 5: ATOM 829 O O . PRO A 1 105 ? 7.170 20.696 17.567 1.00 14.42 ? 105 PRO A O 1 5: ATOM 830 C CB . PRO A 1 105 ? 8.828 19.348 15.202 1.00 18.86 ? 105 PRO A CB 1 5: ATOM 831 C CG . PRO A 1 105 ? 9.188 20.164 14.005 1.00 18.76 ? 105 PRO A CG 1 5: ATOM 832 C CD . PRO A 1 105 ? 8.423 21.440 14.199 1.00 18.40 ? 105 PRO A CD 1 5: ATOM 833 N N . LYS A 1 106 ? 6.552 18.541 17.444 1.00 16.02 ? 106 LYS A N 1 5: ATOM 834 C CA . LYS A 1 106 ? 6.255 18.453 18.868 1.00 16.93 ? 106 LYS A CA 1 5: ATOM 835 C C . LYS A 1 106 ? 7.609 18.305 19.554 1.00 15.49 ? 106 LYS A C 1 5: ATOM 836 O O . LYS A 1 106 ? 8.397 17.437 19.183 1.00 14.76 ? 106 LYS A O 1 5: ATOM 837 C CB . LYS A 1 106 ? 5.387 17.229 19.174 1.00 20.98 ? 106 LYS A CB 1 5: ATOM 838 C CG . LYS A 1 106 ? 5.015 17.097 20.662 1.00 27.98 ? 106 LYS A CG 1 5: ATOM 839 C CD . LYS A 1 106 ? 4.463 18.433 21.229 1.00 33.23 ? 106 LYS A CD 1 5: ATOM 840 C CE . LYS A 1 106 ? 4.250 18.417 22.764 1.00 35.21 ? 106 LYS A CE 1 5: ATOM 841 N NZ . LYS A 1 106 ? 5.519 18.251 23.566 1.00 33.75 ? 106 LYS A NZ 1 5: ATOM 842 N N . THR A 1 107 ? 7.907 19.167 20.515 1.00 13.91 ? 107 THR A N 1 5: ATOM 843 C CA . THR A 1 107 ? 9.203 19.086 21.190 1.00 12.14 ? 107 THR A CA 1 5: ATOM 844 C C . THR A 1 107 ? 9.083 18.819 22.681 1.00 11.66 ? 107 THR A C 1 5: ATOM 845 O O . THR A 1 107 ? 8.061 19.120 23.295 1.00 10.59 ? 107 THR A O 1 5: ATOM 846 C CB . THR A 1 107 ? 10.012 20.382 21.016 1.00 12.37 ? 107 THR A CB 1 5: ATOM 847 O OG1 . THR A 1 107 ? 9.263 21.480 21.547 1.00 12.36 ? 107 THR A OG1 1 5: ATOM 848 C CG2 . THR A 1 107 ? 10.327 20.643 19.544 1.00 12.62 ? 107 THR A CG2 1 5: ATOM 849 N N . SER A 1 108 ? 10.140 18.249 23.250 1.00 10.16 ? 108 SER A N 1 5: ATOM 850 C CA . SER A 1 108 ? 10.192 17.975 24.681 1.00 9.98 ? 108 SER A CA 1 5: ATOM 851 C C . SER A 1 108 ? 11.649 17.774 25.081 1.00 9.90 ? 108 SER A C 1 5: ATOM 852 O O . SER A 1 108 ? 12.549 17.774 24.227 1.00 8.48 ? 108 SER A O 1 5: ATOM 853 C CB . SER A 1 108 ? 9.370 16.729 25.024 1.00 9.84 ? 108 SER A CB 1 5: ATOM 854 O OG . SER A 1 108 ? 9.844 15.601 24.313 1.00 13.87 ? 108 SER A OG 1 5: ATOM 855 N N . TRP A 1 109 ? 11.890 17.708 26.386 1.00 7.96 ? 109 TRP A N 1 5: ATOM 856 C CA . TRP A 1 109 ? 13.233 17.446 26.894 1.00 7.85 ? 109 TRP A CA 1 5: ATOM 857 C C . TRP A 1 109 ? 13.109 16.693 28.209 1.00 7.56 ? 109 TRP A C 1 5: ATOM 858 O O . TRP A 1 109 ? 12.053 16.728 28.837 1.00 8.14 ? 109 TRP A O 1 5: ATOM 859 C CB . TRP A 1 109 ? 14.094 18.722 27.051 1.00 8.25 ? 109 TRP A CB 1 5: ATOM 860 C CG . TRP A 1 109 ? 13.627 19.829 28.007 1.00 8.07 ? 109 TRP A CG 1 5: ATOM 861 C CD1 . TRP A 1 109 ? 13.120 21.046 27.648 1.00 9.28 ? 109 TRP A CD1 1 5: ATOM 862 C CD2 . TRP A 1 109 ? 13.745 19.865 29.450 1.00 9.31 ? 109 TRP A CD2 1 5: ATOM 863 N NE1 . TRP A 1 109 ? 12.929 21.836 28.760 1.00 9.69 ? 109 TRP A NE1 1 5: ATOM 864 C CE2 . TRP A 1 109 ? 13.306 21.136 29.878 1.00 9.04 ? 109 TRP A CE2 1 5: ATOM 865 C CE3 . TRP A 1 109 ? 14.186 18.939 30.416 1.00 9.92 ? 109 TRP A CE3 1 5: ATOM 866 C CZ2 . TRP A 1 109 ? 13.286 21.515 31.228 1.00 9.72 ? 109 TRP A CZ2 1 5: ATOM 867 C CZ3 . TRP A 1 109 ? 14.163 19.316 31.758 1.00 10.25 ? 109 TRP A CZ3 1 5: ATOM 868 C CH2 . TRP A 1 109 ? 13.717 20.593 32.149 1.00 10.11 ? 109 TRP A CH2 1 5: ATOM 869 N N . THR A 1 110 ? 14.136 15.924 28.549 1.00 7.39 ? 110 THR A N 1 5: ATOM 870 C CA . THR A 1 110 ? 14.168 15.176 29.808 1.00 6.23 ? 110 THR A CA 1 5: ATOM 871 C C . THR A 1 110 ? 15.577 15.334 30.395 1.00 7.40 ? 110 THR A C 1 5: ATOM 872 O O . THR A 1 110 ? 16.558 15.563 29.652 1.00 6.43 ? 110 THR A O 1 5: ATOM 873 C CB . THR A 1 110 ? 13.887 13.633 29.626 1.00 7.17 ? 110 THR A CB 1 5: ATOM 874 O OG1 . THR A 1 110 ? 15.000 13.002 28.973 1.00 7.49 ? 110 THR A OG1 1 5: ATOM 875 C CG2 . THR A 1 110 ? 12.616 13.377 28.803 1.00 6.64 ? 110 THR A CG2 1 5: ATOM 876 N N . ARG A 1 111 ? 15.669 15.293 31.727 1.00 6.72 ? 111 ARG A N 1 5: ATOM 877 C CA . ARG A 1 111 ? 16.966 15.356 32.425 1.00 6.27 ? 111 ARG A CA 1 5: ATOM 878 C C . ARG A 1 111 ? 16.924 14.287 33.483 1.00 7.89 ? 111 ARG A C 1 5: ATOM 879 O O . ARG A 1 111 ? 15.928 14.156 34.193 1.00 8.35 ? 111 ARG A O 1 5: ATOM 880 C CB . ARG A 1 111 ? 17.240 16.722 33.068 1.00 6.20 ? 111 ARG A CB 1 5: ATOM 881 C CG . ARG A 1 111 ? 17.703 17.765 32.060 1.00 7.38 ? 111 ARG A CG 1 5: ATOM 882 C CD . ARG A 1 111 ? 18.100 19.072 32.727 1.00 8.70 ? 111 ARG A CD 1 5: ATOM 883 N NE . ARG A 1 111 ? 18.783 19.965 31.784 1.00 9.83 ? 111 ARG A NE 1 5: ATOM 884 C CZ . ARG A 1 111 ? 18.158 20.804 30.963 1.00 10.23 ? 111 ARG A CZ 1 5: ATOM 885 N NH1 . ARG A 1 111 ? 16.840 20.869 30.966 1.00 10.89 ? 111 ARG A NH1 1 5: ATOM 886 N NH2 . ARG A 1 111 ? 18.847 21.590 30.144 1.00 11.56 ? 111 ARG A NH2 1 5: ATOM 887 N N . GLU A 1 112 ? 17.957 13.464 33.534 1.00 7.64 ? 112 GLU A N 1 5: ATOM 888 C CA . GLU A 1 112 ? 17.977 12.402 34.527 1.00 10.31 ? 112 GLU A CA 1 5: ATOM 889 C C . GLU A 1 112 ? 19.356 12.142 35.113 1.00 9.93 ? 112 GLU A C 1 5: ATOM 890 O O . GLU A 1 112 ? 20.367 12.273 34.425 1.00 7.92 ? 112 GLU A O 1 5: ATOM 891 C CB . GLU A 1 112 ? 17.401 11.118 33.940 1.00 14.05 ? 112 GLU A CB 1 5: ATOM 892 C CG . GLU A 1 112 ? 18.213 10.489 32.836 1.00 20.37 ? 112 GLU A CG 1 5: ATOM 893 C CD . GLU A 1 112 ? 17.484 9.325 32.177 1.00 25.09 ? 112 GLU A CD 1 5: ATOM 894 O OE1 . GLU A 1 112 ? 17.223 8.308 32.883 1.00 22.36 ? 112 GLU A OE1 1 5: ATOM 895 O OE2 . GLU A 1 112 ? 17.175 9.443 30.955 1.00 25.10 ? 112 GLU A OE2 1 5: ATOM 896 N N . LEU A 1 113 ? 19.387 11.816 36.401 1.00 8.96 ? 113 LEU A N 1 5: ATOM 897 C CA . LEU A 1 113 ? 20.634 11.503 37.091 1.00 12.04 ? 113 LEU A CA 1 5: ATOM 898 C C . LEU A 1 113 ? 20.789 9.991 37.081 1.00 12.06 ? 113 LEU A C 1 5: ATOM 899 O O . LEU A 1 113 ? 19.906 9.270 37.559 1.00 12.08 ? 113 LEU A O 1 5: ATOM 900 C CB . LEU A 1 113 ? 20.575 11.983 38.532 1.00 14.38 ? 113 LEU A CB 1 5: ATOM 901 C CG . LEU A 1 113 ? 20.768 13.465 38.799 1.00 17.46 ? 113 LEU A CG 1 5: ATOM 902 C CD1 . LEU A 1 113 ? 20.709 13.656 40.298 1.00 19.61 ? 113 LEU A CD1 1 5: ATOM 903 C CD2 . LEU A 1 113 ? 22.128 13.945 38.266 1.00 18.46 ? 113 LEU A CD2 1 5: ATOM 904 N N . THR A 1 114 ? 21.895 9.502 36.535 1.00 11.06 ? 114 THR A N 1 5: ATOM 905 C CA . THR A 1 114 ? 22.110 8.062 36.452 1.00 11.74 ? 114 THR A CA 1 5: ATOM 906 C C . THR A 1 114 ? 22.816 7.522 37.686 1.00 11.41 ? 114 THR A C 1 5: ATOM 907 O O . THR A 1 114 ? 23.327 8.282 38.501 1.00 11.47 ? 114 THR A O 1 5: ATOM 908 C CB . THR A 1 114 ? 22.894 7.700 35.188 1.00 12.89 ? 114 THR A CB 1 5: ATOM 909 O OG1 . THR A 1 114 ? 24.109 8.451 35.164 1.00 15.50 ? 114 THR A OG1 1 5: ATOM 910 C CG2 . THR A 1 114 ? 22.075 8.037 33.951 1.00 14.75 ? 114 THR A CG2 1 5: ATOM 911 N N . ASN A 1 115 ? 22.834 6.202 37.808 1.00 13.23 ? 115 ASN A N 1 5: ATOM 912 C CA . ASN A 1 115 ? 23.441 5.538 38.951 1.00 16.19 ? 115 ASN A CA 1 5: ATOM 913 C C . ASN A 1 115 ? 24.930 5.761 39.139 1.00 14.24 ? 115 ASN A C 1 5: ATOM 914 O O . ASN A 1 115 ? 25.432 5.626 40.256 1.00 14.74 ? 115 ASN A O 1 5: ATOM 915 C CB . ASN A 1 115 ? 23.123 4.047 38.918 1.00 21.89 ? 115 ASN A CB 1 5: ATOM 916 C CG . ASN A 1 115 ? 21.703 3.754 39.357 1.00 29.77 ? 115 ASN A CG 1 5: ATOM 917 O OD1 . ASN A 1 115 ? 20.955 3.046 38.669 1.00 34.83 ? 115 ASN A OD1 1 5: ATOM 918 N ND2 . ASN A 1 115 ? 21.313 4.310 40.516 1.00 32.90 ? 115 ASN A ND2 1 5: ATOM 919 N N . ASP A 1 116 ? 25.626 6.095 38.055 1.00 12.05 ? 116 ASP A N 1 5: ATOM 920 C CA . ASP A 1 116 ? 27.061 6.364 38.094 1.00 11.99 ? 116 ASP A CA 1 5: ATOM 921 C C . ASP A 1 116 ? 27.424 7.821 38.397 1.00 11.45 ? 116 ASP A C 1 5: ATOM 922 O O . ASP A 1 116 ? 28.592 8.184 38.393 1.00 12.23 ? 116 ASP A O 1 5: ATOM 923 C CB . ASP A 1 116 ? 27.764 5.875 36.806 1.00 13.89 ? 116 ASP A CB 1 5: ATOM 924 C CG . ASP A 1 116 ? 27.177 6.474 35.512 1.00 16.58 ? 116 ASP A CG 1 5: ATOM 925 O OD1 . ASP A 1 116 ? 26.263 7.303 35.569 1.00 19.66 ? 116 ASP A OD1 1 5: ATOM 926 O OD2 . ASP A 1 116 ? 27.651 6.113 34.422 1.00 20.14 ? 116 ASP A OD2 1 5: ATOM 927 N N . GLY A 1 117 ? 26.420 8.647 38.675 1.00 10.58 ? 117 GLY A N 1 5: ATOM 928 C CA . GLY A 1 117 ? 26.669 10.042 38.997 1.00 9.83 ? 117 GLY A CA 1 5: ATOM 929 C C . GLY A 1 117 ? 26.652 11.019 37.831 1.00 9.97 ? 117 GLY A C 1 5: ATOM 930 O O . GLY A 1 117 ? 26.945 12.192 38.019 1.00 10.45 ? 117 GLY A O 1 5: ATOM 931 N N . GLU A 1 118 ? 26.289 10.550 36.638 1.00 9.43 ? 118 GLU A N 1 5: ATOM 932 C CA . GLU A 1 118 ? 26.242 11.413 35.458 1.00 7.79 ? 118 GLU A CA 1 5: ATOM 933 C C . GLU A 1 118 ? 24.834 11.955 35.213 1.00 7.60 ? 118 GLU A C 1 5: ATOM 934 O O . GLU A 1 118 ? 23.872 11.565 35.885 1.00 8.05 ? 118 GLU A O 1 5: ATOM 935 C CB . GLU A 1 118 ? 26.776 10.653 34.241 1.00 8.86 ? 118 GLU A CB 1 5: ATOM 936 C CG . GLU A 1 118 ? 28.227 10.234 34.427 1.00 9.64 ? 118 GLU A CG 1 5: ATOM 937 C CD . GLU A 1 118 ? 28.770 9.370 33.310 1.00 13.39 ? 118 GLU A CD 1 5: ATOM 938 O OE1 . GLU A 1 118 ? 28.036 9.043 32.355 1.00 11.90 ? 118 GLU A OE1 1 5: ATOM 939 O OE2 . GLU A 1 118 ? 29.956 8.998 33.405 1.00 16.59 ? 118 GLU A OE2 1 5: ATOM 940 N N . LEU A 1 119 ? 24.732 12.884 34.269 1.00 7.57 ? 119 LEU A N 1 5: ATOM 941 C CA . LEU A 1 119 ? 23.467 13.513 33.917 1.00 6.94 ? 119 LEU A CA 1 5: ATOM 942 C C . LEU A 1 119 ? 23.189 13.277 32.431 1.00 8.29 ? 119 LEU A C 1 5: ATOM 943 O O . LEU A 1 119 ? 24.070 13.506 31.593 1.00 8.23 ? 119 LEU A O 1 5: ATOM 944 C CB . LEU A 1 119 ? 23.556 15.023 34.184 1.00 7.83 ? 119 LEU A CB 1 5: ATOM 945 C CG . LEU A 1 119 ? 22.417 15.972 33.810 1.00 9.54 ? 119 LEU A CG 1 5: ATOM 946 C CD1 . LEU A 1 119 ? 21.213 15.661 34.618 1.00 11.05 ? 119 LEU A CD1 1 5: ATOM 947 C CD2 . LEU A 1 119 ? 22.822 17.421 34.066 1.00 12.54 ? 119 LEU A CD2 1 5: ATOM 948 N N . ILE A 1 120 ? 22.010 12.743 32.119 1.00 6.17 ? 120 ILE A N 1 5: ATOM 949 C CA . ILE A 1 120 ? 21.638 12.529 30.730 1.00 6.22 ? 120 ILE A CA 1 5: ATOM 950 C C . ILE A 1 120 ? 20.527 13.511 30.354 1.00 7.47 ? 120 ILE A C 1 5: ATOM 951 O O . ILE A 1 120 ? 19.493 13.580 31.036 1.00 6.54 ? 120 ILE A O 1 5: ATOM 952 C CB . ILE A 1 120 ? 21.103 11.118 30.485 1.00 7.19 ? 120 ILE A CB 1 5: ATOM 953 C CG1 . ILE A 1 120 ? 22.171 10.070 30.801 1.00 8.26 ? 120 ILE A CG1 1 5: ATOM 954 C CG2 . ILE A 1 120 ? 20.556 11.003 29.047 1.00 6.54 ? 120 ILE A CG2 1 5: ATOM 955 C CD1 . ILE A 1 120 ? 21.668 8.658 30.600 1.00 9.35 ? 120 ILE A CD1 1 5: ATOM 956 N N . LEU A 1 121 ? 20.771 14.301 29.306 1.00 6.41 ? 121 LEU A N 1 5: ATOM 957 C CA . LEU A 1 121 ? 19.783 15.236 28.779 1.00 6.25 ? 121 LEU A CA 1 5: ATOM 958 C C . LEU A 1 121 ? 19.299 14.693 27.426 1.00 7.41 ? 121 LEU A C 1 5: ATOM 959 O O . LEU A 1 121 ? 20.115 14.242 26.619 1.00 6.01 ? 121 LEU A O 1 5: ATOM 960 C CB . LEU A 1 121 ? 20.400 16.624 28.526 1.00 7.37 ? 121 LEU A CB 1 5: ATOM 961 C CG . LEU A 1 121 ? 19.607 17.580 27.597 1.00 7.96 ? 121 LEU A CG 1 5: ATOM 962 C CD1 . LEU A 1 121 ? 18.340 18.117 28.290 1.00 7.91 ? 121 LEU A CD1 1 5: ATOM 963 C CD2 . LEU A 1 121 ? 20.501 18.739 27.151 1.00 7.96 ? 121 LEU A CD2 1 5: ATOM 964 N N . THR A 1 122 ? 17.988 14.607 27.222 1.00 6.71 ? 122 THR A N 1 5: ATOM 965 C CA . THR A 1 122 ? 17.514 14.205 25.898 1.00 7.80 ? 122 THR A CA 1 5: ATOM 966 C C . THR A 1 122 ? 16.633 15.334 25.402 1.00 8.58 ? 122 THR A C 1 5: ATOM 967 O O . THR A 1 122 ? 15.988 16.034 26.194 1.00 7.21 ? 122 THR A O 1 5: ATOM 968 C CB . THR A 1 122 ? 16.754 12.843 25.832 1.00 7.51 ? 122 THR A CB 1 5: ATOM 969 O OG1 . THR A 1 122 ? 15.422 12.992 26.313 1.00 9.27 ? 122 THR A OG1 1 5: ATOM 970 C CG2 . THR A 1 122 ? 17.484 11.759 26.622 1.00 7.86 ? 122 THR A CG2 1 5: ATOM 971 N N . MET A 1 123 ? 16.732 15.613 24.110 1.00 7.87 ? 123 MET A N 1 5: ATOM 972 C CA . MET A 1 123 ? 15.904 16.643 23.494 1.00 9.22 ? 123 MET A CA 1 5: ATOM 973 C C . MET A 1 123 ? 15.194 15.950 22.337 1.00 8.66 ? 123 MET A C 1 5: ATOM 974 O O . MET A 1 123 ? 15.828 15.189 21.601 1.00 8.09 ? 123 MET A O 1 5: ATOM 975 C CB . MET A 1 123 ? 16.760 17.818 23.019 1.00 9.37 ? 123 MET A CB 1 5: ATOM 976 C CG . MET A 1 123 ? 17.359 18.612 24.171 1.00 11.81 ? 123 MET A CG 1 5: ATOM 977 S SD . MET A 1 123 ? 18.325 20.048 23.658 1.00 16.59 ? 123 MET A SD 1 5: ATOM 978 C CE . MET A 1 123 ? 19.871 19.278 23.173 1.00 14.10 ? 123 MET A CE 1 5: ATOM 979 N N . THR A 1 124 ? 13.895 16.195 22.186 1.00 7.20 ? 124 THR A N 1 5: ATOM 980 C CA . THR A 1 124 ? 13.133 15.534 21.134 1.00 9.54 ? 124 THR A CA 1 5: ATOM 981 C C . THR A 1 124 ? 12.407 16.513 20.222 1.00 10.12 ? 124 THR A C 1 5: ATOM 982 O O . THR A 1 124 ? 11.941 17.563 20.665 1.00 9.54 ? 124 THR A O 1 5: ATOM 983 C CB . THR A 1 124 ? 12.073 14.552 21.756 1.00 10.74 ? 124 THR A CB 1 5: ATOM 984 O OG1 . THR A 1 124 ? 12.740 13.544 22.535 1.00 11.99 ? 124 THR A OG1 1 5: ATOM 985 C CG2 . THR A 1 124 ? 11.247 13.865 20.679 1.00 11.66 ? 124 THR A CG2 1 5: ATOM 986 N N . ALA A 1 125 ? 12.346 16.167 18.935 1.00 11.06 ? 125 ALA A N 1 5: ATOM 987 C CA . ALA A 1 125 ? 11.634 16.962 17.923 1.00 11.63 ? 125 ALA A CA 1 5: ATOM 988 C C . ALA A 1 125 ? 10.981 15.878 17.078 1.00 13.46 ? 125 ALA A C 1 5: ATOM 989 O O . ALA A 1 125 ? 11.669 15.144 16.352 1.00 13.11 ? 125 ALA A O 1 5: ATOM 990 C CB . ALA A 1 125 ? 12.603 17.786 17.091 1.00 13.16 ? 125 ALA A CB 1 5: ATOM 991 N N . ASP A 1 126 ? 9.664 15.754 17.216 1.00 14.63 ? 126 ASP A N 1 5: ATOM 992 C CA . ASP A 1 126 ? 8.901 14.721 16.536 1.00 17.86 ? 126 ASP A CA 1 5: ATOM 993 C C . ASP A 1 126 ? 9.512 13.364 16.905 1.00 18.66 ? 126 ASP A C 1 5: ATOM 994 O O . ASP A 1 126 ? 9.519 13.006 18.080 1.00 19.38 ? 126 ASP A O 1 5: ATOM 995 C CB . ASP A 1 126 ? 8.835 14.982 15.023 1.00 18.40 ? 126 ASP A CB 1 5: ATOM 996 C CG . ASP A 1 126 ? 7.786 16.032 14.660 1.00 22.34 ? 126 ASP A CG 1 5: ATOM 997 O OD1 . ASP A 1 126 ? 6.800 16.198 15.422 1.00 23.23 ? 126 ASP A OD1 1 5: ATOM 998 O OD2 . ASP A 1 126 ? 7.940 16.702 13.621 1.00 24.32 ? 126 ASP A OD2 1 5: ATOM 999 N N . ASP A 1 127 ? 10.064 12.629 15.945 1.00 20.19 ? 127 ASP A N 1 5: ATOM 1000 C CA . ASP A 1 127 ? 10.656 11.333 16.271 1.00 21.56 ? 127 ASP A CA 1 5: ATOM 1001 C C . ASP A 1 127 ? 12.175 11.279 16.416 1.00 18.85 ? 127 ASP A C 1 5: ATOM 1002 O O . ASP A 1 127 ? 12.732 10.219 16.657 1.00 20.67 ? 127 ASP A O 1 5: ATOM 1003 C CB . ASP A 1 127 ? 10.178 10.263 15.303 1.00 26.47 ? 127 ASP A CB 1 5: ATOM 1004 C CG . ASP A 1 127 ? 9.043 9.450 15.880 1.00 33.21 ? 127 ASP A CG 1 5: ATOM 1005 O OD1 . ASP A 1 127 ? 7.892 9.959 15.934 1.00 36.08 ? 127 ASP A OD1 1 5: ATOM 1006 O OD2 . ASP A 1 127 ? 9.318 8.308 16.318 1.00 38.35 ? 127 ASP A OD2 1 5: ATOM 1007 N N . VAL A 1 128 ? 12.836 12.418 16.281 1.00 15.22 ? 128 VAL A N 1 5: ATOM 1008 C CA . VAL A 1 128 ? 14.286 12.486 16.407 1.00 12.83 ? 128 VAL A CA 1 5: ATOM 1009 C C . VAL A 1 128 ? 14.681 12.843 17.835 1.00 11.58 ? 128 VAL A C 1 5: ATOM 1010 O O . VAL A 1 128 ? 14.176 13.811 18.408 1.00 9.74 ? 128 VAL A O 1 5: ATOM 1011 C CB . VAL A 1 128 ? 14.864 13.503 15.423 1.00 12.79 ? 128 VAL A CB 1 5: ATOM 1012 C CG1 . VAL A 1 128 ? 16.338 13.757 15.706 1.00 12.93 ? 128 VAL A CG1 1 5: ATOM 1013 C CG2 . VAL A 1 128 ? 14.677 12.968 14.005 1.00 14.30 ? 128 VAL A CG2 1 5: ATOM 1014 N N . VAL A 1 129 ? 15.586 12.051 18.397 1.00 9.29 ? 129 VAL A N 1 5: ATOM 1015 C CA . VAL A 1 129 ? 16.054 12.257 19.761 1.00 7.95 ? 129 VAL A CA 1 5: ATOM 1016 C C . VAL A 1 129 ? 17.558 12.546 19.842 1.00 7.49 ? 129 VAL A C 1 5: ATOM 1017 O O . VAL A 1 129 ? 18.374 11.816 19.276 1.00 8.73 ? 129 VAL A O 1 5: ATOM 1018 C CB . VAL A 1 129 ? 15.764 11.007 20.617 1.00 9.43 ? 129 VAL A CB 1 5: ATOM 1019 C CG1 . VAL A 1 129 ? 16.153 11.253 22.076 1.00 9.09 ? 129 VAL A CG1 1 5: ATOM 1020 C CG2 . VAL A 1 129 ? 14.293 10.610 20.495 1.00 9.45 ? 129 VAL A CG2 1 5: ATOM 1021 N N . CYS A 1 130 ? 17.912 13.630 20.534 1.00 7.54 ? 130 CYS A N 1 5: ATOM 1022 C CA . CYS A 1 130 ? 19.305 14.010 20.756 1.00 6.47 ? 130 CYS A CA 1 5: ATOM 1023 C C . CYS A 1 130 ? 19.670 13.627 22.200 1.00 6.61 ? 130 CYS A C 1 5: ATOM 1024 O O . CYS A 1 130 ? 18.955 13.992 23.135 1.00 7.53 ? 130 CYS A O 1 5: ATOM 1025 C CB . CYS A 1 130 ? 19.485 15.517 20.544 1.00 6.05 ? 130 CYS A CB 1 5: ATOM 1026 S SG . CYS A 1 130 ? 21.063 16.183 21.077 1.00 8.82 ? 130 CYS A SG 1 5: ATOM 1027 N N . THR A 1 131 ? 20.786 12.925 22.372 1.00 6.58 ? 131 THR A N 1 5: ATOM 1028 C CA . THR A 1 131 ? 21.241 12.462 23.693 1.00 5.93 ? 131 THR A CA 1 5: ATOM 1029 C C . THR A 1 131 ? 22.569 13.102 24.054 1.00 6.18 ? 131 THR A C 1 5: ATOM 1030 O O . THR A 1 131 ? 23.528 13.003 23.294 1.00 5.77 ? 131 THR A O 1 5: ATOM 1031 C CB . THR A 1 131 ? 21.419 10.914 23.699 1.00 6.63 ? 131 THR A CB 1 5: ATOM 1032 O OG1 . THR A 1 131 ? 20.199 10.299 23.289 1.00 7.60 ? 131 THR A OG1 1 5: ATOM 1033 C CG2 . THR A 1 131 ? 21.763 10.399 25.091 1.00 7.76 ? 131 THR A CG2 1 5: ATOM 1034 N N . ARG A 1 132 ? 22.624 13.780 25.202 1.00 6.29 ? 132 ARG A N 1 5: ATOM 1035 C CA . ARG A 1 132 ? 23.853 14.429 25.660 1.00 7.67 ? 132 ARG A CA 1 5: ATOM 1036 C C . ARG A 1 132 ? 24.108 13.960 27.093 1.00 7.19 ? 132 ARG A C 1 5: ATOM 1037 O O . ARG A 1 132 ? 23.184 13.895 27.902 1.00 8.65 ? 132 ARG A O 1 5: ATOM 1038 C CB . ARG A 1 132 ? 23.719 15.957 25.621 1.00 9.67 ? 132 ARG A CB 1 5: ATOM 1039 C CG . ARG A 1 132 ? 22.945 16.470 24.429 1.00 15.02 ? 132 ARG A CG 1 5: ATOM 1040 C CD . ARG A 1 132 ? 23.781 17.260 23.476 1.00 16.80 ? 132 ARG A CD 1 5: ATOM 1041 N NE . ARG A 1 132 ? 24.140 18.580 23.984 1.00 12.48 ? 132 ARG A NE 1 5: ATOM 1042 C CZ . ARG A 1 132 ? 25.030 19.377 23.395 1.00 12.93 ? 132 ARG A CZ 1 5: ATOM 1043 N NH1 . ARG A 1 132 ? 25.641 19.005 22.279 1.00 13.84 ? 132 ARG A NH1 1 5: ATOM 1044 N NH2 . ARG A 1 132 ? 25.398 20.506 23.973 1.00 11.57 ? 132 ARG A NH2 1 5: ATOM 1045 N N . VAL A 1 133 ? 25.359 13.633 27.397 1.00 5.99 ? 133 VAL A N 1 5: ATOM 1046 C CA . VAL A 1 133 ? 25.739 13.124 28.719 1.00 5.92 ? 133 VAL A CA 1 5: ATOM 1047 C C . VAL A 1 133 ? 26.773 14.055 29.345 1.00 5.85 ? 133 VAL A C 1 5: ATOM 1048 O O . VAL A 1 133 ? 27.713 14.492 28.681 1.00 5.50 ? 133 VAL A O 1 5: ATOM 1049 C CB . VAL A 1 133 ? 26.333 11.698 28.608 1.00 6.37 ? 133 VAL A CB 1 5: ATOM 1050 C CG1 . VAL A 1 133 ? 26.609 11.120 29.988 1.00 7.95 ? 133 VAL A CG1 1 5: ATOM 1051 C CG2 . VAL A 1 133 ? 25.385 10.782 27.832 1.00 6.46 ? 133 VAL A CG2 1 5: ATOM 1052 N N . TYR A 1 134 ? 26.619 14.337 30.635 1.00 5.35 ? 134 TYR A N 1 5: ATOM 1053 C CA . TYR A 1 134 ? 27.538 15.228 31.322 1.00 4.57 ? 134 TYR A CA 1 5: ATOM 1054 C C . TYR A 1 134 ? 28.014 14.611 32.617 1.00 5.30 ? 134 TYR A C 1 5: ATOM 1055 O O . TYR A 1 134 ? 27.371 13.712 33.165 1.00 3.92 ? 134 TYR A O 1 5: ATOM 1056 C CB . TYR A 1 134 ? 26.846 16.550 31.686 1.00 6.84 ? 134 TYR A CB 1 5: ATOM 1057 C CG . TYR A 1 134 ? 26.118 17.251 30.574 1.00 8.89 ? 134 TYR A CG 1 5: ATOM 1058 C CD1 . TYR A 1 134 ? 24.901 16.762 30.122 1.00 10.29 ? 134 TYR A CD1 1 5: ATOM 1059 C CD2 . TYR A 1 134 ? 26.628 18.406 29.992 1.00 10.49 ? 134 TYR A CD2 1 5: ATOM 1060 C CE1 . TYR A 1 134 ? 24.212 17.386 29.133 1.00 13.03 ? 134 TYR A CE1 1 5: ATOM 1061 C CE2 . TYR A 1 134 ? 25.930 19.051 28.982 1.00 12.15 ? 134 TYR A CE2 1 5: ATOM 1062 C CZ . TYR A 1 134 ? 24.723 18.517 28.567 1.00 12.80 ? 134 TYR A CZ 1 5: ATOM 1063 O OH . TYR A 1 134 ? 23.991 19.082 27.567 1.00 18.07 ? 134 TYR A OH 1 5: ATOM 1064 N N . VAL A 1 135 ? 29.113 15.158 33.119 1.00 6.63 ? 135 VAL A N 1 5: ATOM 1065 C CA . VAL A 1 135 ? 29.697 14.762 34.394 1.00 8.42 ? 135 VAL A CA 1 5: ATOM 1066 C C . VAL A 1 135 ? 30.100 16.086 35.064 1.00 9.05 ? 135 VAL A C 1 5: ATOM 1067 O O . VAL A 1 135 ? 30.340 17.086 34.385 1.00 9.02 ? 135 VAL A O 1 5: ATOM 1068 C CB . VAL A 1 135 ? 30.925 13.815 34.204 1.00 8.05 ? 135 VAL A CB 1 5: ATOM 1069 C CG1 . VAL A 1 135 ? 32.109 14.556 33.596 1.00 9.27 ? 135 VAL A CG1 1 5: ATOM 1070 C CG2 . VAL A 1 135 ? 31.304 13.151 35.533 1.00 10.37 ? 135 VAL A CG2 1 5: ATOM 1071 N N . ARG A 1 136 ? 30.117 16.133 36.390 1.00 9.57 ? 136 ARG A N 1 5: ATOM 1072 C CA . ARG A 1 136 ? 30.498 17.375 37.040 1.00 10.86 ? 136 ARG A CA 1 5: ATOM 1073 C C . ARG A 1 136 ? 31.964 17.676 36.776 1.00 11.68 ? 136 ARG A C 1 5: ATOM 1074 O O . ARG A 1 136 ? 32.782 16.765 36.686 1.00 11.35 ? 136 ARG A O 1 5: ATOM 1075 C CB . ARG A 1 136 ? 30.221 17.319 38.536 1.00 11.99 ? 136 ARG A CB 1 5: ATOM 1076 C CG . ARG A 1 136 ? 28.746 17.454 38.885 1.00 13.89 ? 136 ARG A CG 1 5: ATOM 1077 C CD . ARG A 1 136 ? 28.576 17.533 40.382 1.00 15.85 ? 136 ARG A CD 1 5: ATOM 1078 N NE . ARG A 1 136 ? 27.185 17.407 40.754 1.00 17.08 ? 136 ARG A NE 1 5: ATOM 1079 C CZ . ARG A 1 136 ? 26.561 16.245 40.926 1.00 21.69 ? 136 ARG A CZ 1 5: ATOM 1080 N NH1 . ARG A 1 136 ? 27.217 15.102 40.754 1.00 23.26 ? 136 ARG A NH1 1 5: ATOM 1081 N NH2 . ARG A 1 136 ? 25.278 16.227 41.283 1.00 22.60 ? 136 ARG A NH2 1 5: ATOM 1082 N N . GLU A 1 137 ? 32.282 18.963 36.663 1.00 15.12 ? 137 GLU A N 1 5: ATOM 1083 C CA . GLU A 1 137 ? 33.641 19.430 36.400 1.00 18.00 ? 137 GLU A CA 1 5: ATOM 1084 C C . GLU A 1 137 ? 34.615 19.038 37.493 1.00 18.96 ? 137 GLU A C 1 5: ATOM 1085 O O . GLU A 1 137 ? 34.221 19.175 38.659 1.00 17.37 ? 137 GLU A O 1 5: ATOM 1086 C CB . GLU A 1 137 ? 33.661 20.943 36.293 1.00 19.89 ? 137 GLU A CB 1 5: ATOM 1087 C CG . GLU A 1 137 ? 33.092 21.492 35.035 1.00 28.03 ? 137 GLU A CG 1 5: ATOM 1088 C CD . GLU A 1 137 ? 33.469 22.953 34.865 1.00 33.22 ? 137 GLU A CD 1 5: ATOM 1089 O OE1 . GLU A 1 137 ? 34.630 23.217 34.473 1.00 37.31 ? 137 GLU A OE1 1 5: ATOM 1090 O OE2 . GLU A 1 137 ? 32.636 23.836 35.164 1.00 36.38 ? 137 GLU A OE2 1 5: ATOM 1091 O OXT . GLU A 1 137 ? 35.776 18.680 37.173 1.00 22.23 ? 137 GLU A OXT 1 5: HETATM 1092 C C1 . RXA B 4 . ? 21.972 29.831 16.739 1.00 15.25 ? 200 RXA A C1 1 5: HETATM 1093 C C2 . RXA B 4 . ? 20.921 30.524 15.841 1.00 15.61 ? 200 RXA A C2 1 5: HETATM 1094 C C3 . RXA B 4 . ? 20.245 29.635 14.848 1.00 16.19 ? 200 RXA A C3 1 5: HETATM 1095 C C4 . RXA B 4 . ? 19.555 28.479 15.488 1.00 14.59 ? 200 RXA A C4 1 5: HETATM 1096 C C5 . RXA B 4 . ? 20.389 27.812 16.587 1.00 14.10 ? 200 RXA A C5 1 5: HETATM 1097 C C6 . RXA B 4 . ? 21.425 28.446 17.218 1.00 14.42 ? 200 RXA A C6 1 5: HETATM 1098 C C7 . RXA B 4 . ? 22.242 27.851 18.297 1.00 13.89 ? 200 RXA A C7 1 5: HETATM 1099 C C8 . RXA B 4 . ? 21.868 26.977 19.240 1.00 11.86 ? 200 RXA A C8 1 5: HETATM 1100 C C9 . RXA B 4 . ? 22.705 26.434 20.286 1.00 10.87 ? 200 RXA A C9 1 5: HETATM 1101 C C10 . RXA B 4 . ? 22.159 25.536 21.131 1.00 9.19 ? 200 RXA A C10 1 5: HETATM 1102 C C11 . RXA B 4 . ? 22.875 24.924 22.234 1.00 10.35 ? 200 RXA A C11 1 5: HETATM 1103 C C12 . RXA B 4 . ? 22.237 24.026 22.990 1.00 10.53 ? 200 RXA A C12 1 5: HETATM 1104 C C13 . RXA B 4 . ? 22.856 23.377 24.125 1.00 10.91 ? 200 RXA A C13 1 5: HETATM 1105 C C14 . RXA B 4 . ? 22.135 22.473 24.834 1.00 11.88 ? 200 RXA A C14 1 5: HETATM 1106 C C15 . RXA B 4 . ? 22.563 21.710 26.016 1.00 14.86 ? 200 RXA A C15 1 5: HETATM 1107 C C16 . RXA B 4 . ? 22.238 30.737 17.948 1.00 15.47 ? 200 RXA A C16 1 5: HETATM 1108 C C17 . RXA B 4 . ? 23.292 29.620 15.948 1.00 13.42 ? 200 RXA A C17 1 5: HETATM 1109 C C18 . RXA B 4 . ? 19.791 26.449 16.947 1.00 12.61 ? 200 RXA A C18 1 5: HETATM 1110 C C19 . RXA B 4 . ? 24.181 26.841 20.385 1.00 10.08 ? 200 RXA A C19 1 5: HETATM 1111 C C20 . RXA B 4 . ? 24.303 23.747 24.489 1.00 10.10 ? 200 RXA A C20 1 5: HETATM 1112 O O1 . RXA B 4 . ? 23.640 21.075 25.978 1.00 13.29 ? 200 RXA A O1 1 5: HETATM 1113 O O2 . RXA B 4 . ? 21.840 21.712 27.037 1.00 10.99 ? 200 RXA A O2 1 5: HETATM 1114 O O . HOH C 3 . ? 21.817 19.604 31.169 1.00 17.43 ? 300 HOH A O 1 5: HETATM 1115 O O . HOH C 3 . ? 7.617 26.892 37.107 1.00 12.66 ? 301 HOH A O 1 5: HETATM 1116 O O . HOH C 3 . ? 22.885 27.835 25.056 1.00 18.86 ? 302 HOH A O 1 5: HETATM 1117 O O . HOH C 3 . ? 30.685 27.402 22.818 1.00 14.12 ? 303 HOH A O 1 5: HETATM 1118 O O . HOH C 3 . ? 29.930 20.839 40.398 1.00 16.48 ? 304 HOH A O 1 5: HETATM 1119 O O . HOH C 3 . ? 31.492 21.096 28.452 1.00 16.65 ? 305 HOH A O 1 5: HETATM 1120 O O . HOH C 3 . ? 19.459 26.601 30.320 1.00 9.81 ? 306 HOH A O 1 5: HETATM 1121 O O . HOH C 3 . ? 19.116 26.759 22.930 1.00 22.33 ? 307 HOH A O 1 5: HETATM 1122 O O . HOH C 3 . ? 16.356 22.299 28.453 1.00 35.46 ? 308 HOH A O 1 5: HETATM 1123 O O . HOH C 3 . ? 21.823 21.939 29.734 1.00 13.95 ? 309 HOH A O 1 5: HETATM 1124 O O . HOH C 3 . ? 13.206 22.267 22.102 1.00 20.07 ? 310 HOH A O 1 5: HETATM 1125 O O . HOH C 3 . ? 30.300 22.803 12.740 1.00 24.70 ? 311 HOH A O 1 5: HETATM 1126 O O . HOH C 3 . ? 7.344 23.059 35.600 1.00 8.82 ? 312 HOH A O 1 5: HETATM 1127 O O . HOH C 3 . ? 6.876 22.668 20.375 1.00 29.74 ? 313 HOH A O 1 5: HETATM 1128 O O . HOH C 3 . ? 17.917 24.800 29.159 1.00 23.69 ? 314 HOH A O 1 5: HETATM 1129 O O . HOH C 3 . ? 37.101 16.714 38.714 1.00 19.84 ? 315 HOH A O 1 5: HETATM 1130 O O . HOH C 3 . ? 28.721 7.425 30.043 1.00 14.94 ? 316 HOH A O 1 5: HETATM 1131 O O . HOH C 3 . ? 13.212 14.450 25.193 1.00 18.03 ? 317 HOH A O 1 5: HETATM 1132 O O . HOH C 3 . ? 6.094 9.777 39.151 1.00 13.98 ? 318 HOH A O 1 5: HETATM 1133 O O . HOH C 3 . ? 19.296 10.379 13.144 1.00 27.20 ? 319 HOH A O 1 5: HETATM 1134 O O . HOH C 3 . ? 25.337 10.931 16.577 1.00 18.41 ? 320 HOH A O 1 5: HETATM 1135 O O . HOH C 3 . ? 25.244 34.269 18.193 1.00 9.65 ? 321 HOH A O 1 5: HETATM 1136 O O . HOH C 3 . ? 23.567 10.727 14.429 1.00 11.13 ? 322 HOH A O 1 5: HETATM 1137 O O . HOH C 3 . ? 17.151 12.178 30.238 1.00 11.53 ? 323 HOH A O 1 5: HETATM 1138 O O . HOH C 3 . ? 27.768 11.967 42.077 1.00 23.33 ? 324 HOH A O 1 5: HETATM 1139 O O . HOH C 3 . ? 30.270 12.554 21.386 1.00 25.05 ? 325 HOH A O 1 5: HETATM 1140 O O . HOH C 3 . ? 25.662 15.488 18.515 1.00 10.80 ? 326 HOH A O 1 5: HETATM 1141 O O . HOH C 3 . ? 4.514 21.426 18.685 1.00 45.94 ? 327 HOH A O 1 5: HETATM 1142 O O . HOH C 3 . ? 8.081 23.201 17.690 1.00 30.16 ? 328 HOH A O 1 5: HETATM 1143 O O . HOH C 3 . ? 13.242 29.389 14.924 1.00 39.93 ? 329 HOH A O 1 5: HETATM 1144 O O . HOH C 3 . ? 10.514 18.772 10.176 1.00 33.65 ? 330 HOH A O 1 5: HETATM 1145 O O . HOH C 3 . ? 10.555 13.666 26.313 1.00 32.55 ? 331 HOH A O 1 5: HETATM 1146 O O . HOH C 3 . ? 5.189 16.418 31.375 1.00 35.78 ? 332 HOH A O 1 5: HETATM 1147 O O . HOH C 3 . ? 0.738 25.633 36.349 1.00 29.00 ? 333 HOH A O 1 5: HETATM 1148 O O . HOH C 3 . ? 2.976 28.966 37.321 1.00 40.14 ? 334 HOH A O 1 5: HETATM 1149 O O . HOH C 3 . ? 6.424 28.750 38.849 1.00 32.17 ? 335 HOH A O 1 5: HETATM 1150 O O . HOH C 3 . ? 12.503 30.488 31.704 1.00 41.11 ? 336 HOH A O 1 5: HETATM 1151 O O . HOH C 3 . ? 14.979 30.157 27.559 1.00 23.78 ? 337 HOH A O 1 5: HETATM 1152 O O . HOH C 3 . ? 17.312 32.981 28.812 1.00 20.84 ? 338 HOH A O 1 5: HETATM 1153 O O . HOH C 3 . ? 29.473 25.946 34.693 1.00 29.05 ? 339 HOH A O 1 5: HETATM 1154 O O . HOH C 3 . ? 30.328 23.817 33.494 1.00 24.17 ? 340 HOH A O 1 5: HETATM 1155 O O . HOH C 3 . ? 31.158 28.144 26.433 1.00 42.66 ? 341 HOH A O 1 5: HETATM 1156 O O . HOH C 3 . ? 30.276 28.397 16.400 1.00 21.90 ? 342 HOH A O 1 5: HETATM 1157 O O . HOH C 3 . ? 19.533 23.600 26.857 1.00 21.12 ? 343 HOH A O 1 5: HETATM 1158 O O . HOH C 3 . ? 17.892 24.675 24.549 1.00 48.11 ? 344 HOH A O 1 5: HETATM 1159 O O . HOH C 3 . ? 14.211 24.152 25.435 1.00 21.09 ? 345 HOH A O 1 5: HETATM 1160 O O . HOH C 3 . ? 15.223 27.626 27.056 1.00 27.16 ? 346 HOH A O 1 5: HETATM 1161 O O . HOH C 3 . ? 3.502 22.911 43.083 1.00 30.15 ? 347 HOH A O 1 5: HETATM 1162 O O . HOH C 3 . ? 20.610 7.668 40.212 1.00 49.06 ? 348 HOH A O 1 5: HETATM 1163 O O . HOH C 3 . ? 24.813 2.899 36.403 1.00 48.98 ? 349 HOH A O 1 5: HETATM 1164 O O . HOH C 3 . ? 29.900 5.163 26.918 1.00 23.60 ? 350 HOH A O 1 5: HETATM 1165 O O . HOH C 3 . ? 14.333 5.466 42.757 1.00 22.90 ? 351 HOH A O 1 5: HETATM 1166 O O . HOH C 3 . ? 8.914 5.771 35.515 1.00 35.92 ? 352 HOH A O 1 5: HETATM 1167 O O . HOH C 3 . ? 14.519 28.906 40.193 1.00 28.73 ? 353 HOH A O 1 5: HETATM 1168 O O . HOH C 3 . ? 17.573 20.203 47.080 1.00 37.63 ? 354 HOH A O 1 5: HETATM 1169 O O . HOH C 3 . ? 13.324 32.251 34.152 1.00 47.79 ? 355 HOH A O 1 5: HETATM 1170 O O . HOH C 3 . ? 12.491 24.840 7.594 1.00 39.45 ? 356 HOH A O 1 5: HETATM 1171 O O . HOH C 3 . ? 25.066 15.777 15.214 1.00 27.39 ? 357 HOH A O 1 5: HETATM 1172 O O . HOH C 3 . ? 27.138 17.638 17.834 1.00 45.12 ? 358 HOH A O 1 5: HETATM 1173 O O . HOH C 3 . ? 27.611 19.792 19.503 1.00 24.45 ? 359 HOH A O 1 5: HETATM 1174 O O . HOH C 3 . ? 11.358 8.880 19.119 1.00 24.31 ? 360 HOH A O 1 5: HETATM 1175 O O . HOH C 3 . ? 16.252 27.169 24.557 1.00 25.40 ? 361 HOH A O 1 5: HETATM 1176 O O . HOH C 3 . ? 22.049 27.870 4.565 1.00 25.37 ? 362 HOH A O 1 5: HETATM 1177 O O . HOH C 3 . ? 11.533 6.689 34.501 1.00 29.92 ? 363 HOH A O 1 5: HETATM 1178 O O . HOH C 3 . ? 13.269 4.551 36.338 1.00 45.75 ? 364 HOH A O 1 5: HETATM 1179 O O . HOH C 3 . ? 23.149 9.493 41.173 1.00 30.10 ? 365 HOH A O 1 5: HETATM 1180 O O . HOH C 3 . ? 21.090 12.171 43.973 1.00 27.97 ? 366 HOH A O 1 5: HETATM 1181 O O . HOH C 3 . ? 11.884 13.399 42.560 1.00 23.28 ? 367 HOH A O 1 5: HETATM 1182 O O . HOH C 3 . ? 29.542 17.520 20.025 1.00 38.32 ? 368 HOH A O 1 5: HETATM 1183 O O . HOH C 3 . ? 31.058 17.427 22.538 1.00 37.85 ? 369 HOH A O 1 5: HETATM 1184 O O . HOH C 3 . ? 31.928 9.444 23.294 1.00 46.07 ? 370 HOH A O 1 5: HETATM 1185 O O . HOH C 3 . ? 25.699 10.933 9.557 1.00 44.12 ? 371 HOH A O 1 5: HETATM 1186 O O . HOH C 3 . ? 26.533 13.428 16.334 1.00 45.21 ? 372 HOH A O 1 5: HETATM 1187 O O . HOH C 3 . ? 27.078 16.850 13.245 1.00 39.52 ? 373 HOH A O 1 5: HETATM 1188 O O . HOH C 3 . ? 20.596 32.070 6.807 1.00 36.38 ? 374 HOH A O 1 5: HETATM 1189 O O . HOH C 3 . ? 17.126 28.421 9.515 1.00 23.81 ? 375 HOH A O 1 5: HETATM 1190 O O . HOH C 3 . ? 16.626 32.383 11.231 1.00 20.11 ? 376 HOH A O 1 5: HETATM 1191 O O . HOH C 3 . ? 6.046 30.510 19.639 1.00 29.02 ? 377 HOH A O 1 5: HETATM 1192 O O . HOH C 3 . ? 9.543 16.072 11.145 1.00 50.91 ? 378 HOH A O 1 5: HETATM 1193 O O . HOH C 3 . ? 8.174 14.289 20.240 1.00 54.21 ? 379 HOH A O 1 5: HETATM 1194 O O . HOH C 3 . ? 11.561 10.834 22.873 1.00 43.23 ? 380 HOH A O 1 5: HETATM 1195 O O . HOH C 3 . ? 5.486 15.385 24.922 1.00 50.19 ? 381 HOH A O 1 5: HETATM 1196 O O . HOH C 3 . ? 6.038 21.424 43.276 1.00 46.64 ? 382 HOH A O 1 5: HETATM 1197 O O . HOH C 3 . ? 34.144 19.165 27.284 1.00 41.41 ? 383 HOH A O 1 5: HETATM 1198 O O . HOH C 3 . ? 16.916 27.142 42.621 1.00 29.32 ? 384 HOH A O 1 5: HETATM 1199 O O . HOH C 3 . ? 25.509 24.918 41.520 1.00 32.12 ? 385 HOH A O 1 5: HETATM 1200 O O . HOH C 3 . ? 31.446 7.504 31.389 1.00 28.93 ? 386 HOH A O 1 5: HETATM 1201 O O . HOH C 3 . ? 18.212 20.893 5.892 1.00 29.90 ? 387 HOH A O 1 5: HETATM 1202 O O . HOH C 3 . ? 15.148 27.608 7.685 1.00 30.91 ? 388 HOH A O 1 5: HETATM 1203 O O . HOH C 3 . ? 2.656 23.148 20.117 1.00 35.98 ? 389 HOH A O 1 5: HETATM 1204 O O . HOH C 3 . ? 3.100 22.690 28.640 1.00 31.31 ? 390 HOH A O 1 5: HETATM 1205 O O . HOH C 3 . ? 13.699 19.720 21.819 1.00 26.56 ? 391 HOH A O 1 5: HETATM 1206 O O . HOH C 3 . ? 26.833 28.283 32.272 1.00 31.48 ? 392 HOH A O 1 5: HETATM 1207 O O . HOH C 3 . ? 20.458 26.214 25.811 1.00 24.39 ? 393 HOH A O 1 5: HETATM 1208 O O . HOH C 3 . ? 32.304 27.731 18.152 1.00 41.66 ? 394 HOH A O 1 5: HETATM 1209 O O . HOH C 3 . ? 24.283 13.868 42.687 1.00 35.59 ? 395 HOH A O 1 5: HETATM 1210 O O . HOH C 3 . ? 11.833 12.657 45.160 1.00 38.30 ? 396 HOH A O 1 5: HETATM 1211 O O . HOH C 3 . ? 1.988 27.992 43.589 1.00 33.97 ? 397 HOH A O 1 5: HETATM 1212 O O . HOH C 3 . ? 32.913 22.982 40.176 1.00 39.26 ? 398 HOH A O 1 5: HETATM 1213 O O . HOH C 3 . ? 32.435 20.043 40.169 1.00 33.87 ? 399 HOH A O 1 5: # 5: loop_ 5: _pdbx_validate_torsion.id 5: _pdbx_validate_torsion.PDB_model_num 5: _pdbx_validate_torsion.auth_comp_id 5: _pdbx_validate_torsion.auth_asym_id 5: _pdbx_validate_torsion.auth_seq_id 5: _pdbx_validate_torsion.PDB_ins_code 5: _pdbx_validate_torsion.label_alt_id 5: _pdbx_validate_torsion.phi 5: _pdbx_validate_torsion.psi 5: 1 1 GLU A 73 ? ? -144.94 -154.28 5: 2 1 ASP A 126 ? ? 55.69 -115.96 5: # 5: loop_ 5: _struct_site_gen.id 5: _struct_site_gen.site_id 5: _struct_site_gen.pdbx_num_res 5: _struct_site_gen.label_comp_id 5: _struct_site_gen.label_asym_id 5: _struct_site_gen.label_seq_id 5: _struct_site_gen.pdbx_auth_ins_code 5: _struct_site_gen.auth_comp_id 5: _struct_site_gen.auth_asym_id 5: _struct_site_gen.auth_seq_id 5: _struct_site_gen.label_atom_id 5: _struct_site_gen.label_alt_id 5: _struct_site_gen.symmetry 5: _struct_site_gen.details 5: _struct_site_gen.auth_atom_id 5: 1 AC1 10 GLU A 13 ? GLU A 13 . ? 3_655 ? ? 5: 2 AC1 10 ALA A 32 ? ALA A 32 . ? 1_555 ? ? 5: 3 AC1 10 THR A 54 ? THR A 54 . ? 1_555 ? ? 5: 4 AC1 10 VAL A 58 ? VAL A 58 . ? 1_555 ? ? 5: 5 AC1 10 VAL A 76 ? VAL A 76 . ? 1_555 ? ? 5: 6 AC1 10 LEU A 121 ? LEU A 121 . ? 1_555 ? ? 5: 7 AC1 10 ARG A 132 ? ARG A 132 . ? 1_555 ? ? 5: 8 AC1 10 TYR A 134 ? TYR A 134 . ? 1_555 ? ? 5: 9 AC1 10 HOH C . ? HOH A 309 . ? 1_555 ? ? 5: 10 AC1 10 HOH C . ? HOH A 343 . ? 1_555 ? ? 5: # 5: loop_ 5: _pdbx_nonpoly_scheme.asym_id 5: _pdbx_nonpoly_scheme.entity_id 5: _pdbx_nonpoly_scheme.mon_id 5: _pdbx_nonpoly_scheme.ndb_seq_num 5: _pdbx_nonpoly_scheme.pdb_seq_num 5: _pdbx_nonpoly_scheme.auth_seq_num 5: _pdbx_nonpoly_scheme.pdb_mon_id 5: _pdbx_nonpoly_scheme.auth_mon_id 5: _pdbx_nonpoly_scheme.pdb_strand_id 5: _pdbx_nonpoly_scheme.pdb_ins_code 5: B 4 RXA 1 200 200 RXA RXA A . 5: C 3 HOH 1 300 300 HOH HOH A . 5: C 3 HOH 2 301 301 HOH HOH A . 5: C 3 HOH 3 302 302 HOH HOH A . 5: C 3 HOH 4 303 303 HOH HOH A . 5: C 3 HOH 5 304 304 HOH HOH A . 5: C 3 HOH 6 305 305 HOH HOH A . 5: C 3 HOH 7 306 306 HOH HOH A . 5: C 3 HOH 8 307 307 HOH HOH A . 5: C 3 HOH 9 308 308 HOH HOH A . 5: C 3 HOH 10 309 309 HOH HOH A . 5: C 3 HOH 11 310 310 HOH HOH A . 5: C 3 HOH 12 311 311 HOH HOH A . 5: C 3 HOH 13 312 312 HOH HOH A . 5: C 3 HOH 14 313 313 HOH HOH A . 5: C 3 HOH 15 314 314 HOH HOH A . 5: C 3 HOH 16 315 315 HOH HOH A . 5: C 3 HOH 17 316 316 HOH HOH A . 5: C 3 HOH 18 317 317 HOH HOH A . 5: C 3 HOH 19 318 318 HOH HOH A . 5: C 3 HOH 20 319 319 HOH HOH A . 5: C 3 HOH 21 320 320 HOH HOH A . 5: C 3 HOH 22 321 321 HOH HOH A . 5: C 3 HOH 23 322 322 HOH HOH A . 5: C 3 HOH 24 323 323 HOH HOH A . 5: C 3 HOH 25 324 324 HOH HOH A . 5: C 3 HOH 26 325 325 HOH HOH A . 5: C 3 HOH 27 326 326 HOH HOH A . 5: C 3 HOH 28 327 327 HOH HOH A . 5: C 3 HOH 29 328 328 HOH HOH A . 5: C 3 HOH 30 329 329 HOH HOH A . 5: C 3 HOH 31 330 330 HOH HOH A . 5: C 3 HOH 32 331 331 HOH HOH A . 5: C 3 HOH 33 332 332 HOH HOH A . 5: C 3 HOH 34 333 333 HOH HOH A . 5: C 3 HOH 35 334 334 HOH HOH A . 5: C 3 HOH 36 335 335 HOH HOH A . 5: C 3 HOH 37 336 336 HOH HOH A . 5: C 3 HOH 38 337 337 HOH HOH A . 5: C 3 HOH 39 338 338 HOH HOH A . 5: C 3 HOH 40 339 339 HOH HOH A . 5: C 3 HOH 41 340 340 HOH HOH A . 5: C 3 HOH 42 341 341 HOH HOH A . 5: C 3 HOH 43 342 342 HOH HOH A . 5: C 3 HOH 44 343 343 HOH HOH A . 5: C 3 HOH 45 344 344 HOH HOH A . 5: C 3 HOH 46 345 345 HOH HOH A . 5: C 3 HOH 47 346 346 HOH HOH A . 5: C 3 HOH 48 347 347 HOH HOH A . 5: C 3 HOH 49 348 348 HOH HOH A . 5: C 3 HOH 50 349 349 HOH HOH A . 5: C 3 HOH 51 350 350 HOH HOH A . 5: C 3 HOH 52 351 351 HOH HOH A . 5: C 3 HOH 53 352 352 HOH HOH A . 5: C 3 HOH 54 353 353 HOH HOH A . 5: C 3 HOH 55 354 354 HOH HOH A . 5: C 3 HOH 56 355 355 HOH HOH A . 5: C 3 HOH 57 356 356 HOH HOH A . 5: C 3 HOH 58 357 357 HOH HOH A . 5: C 3 HOH 59 358 358 HOH HOH A . 5: C 3 HOH 60 359 359 HOH HOH A . 5: C 3 HOH 61 360 360 HOH HOH A . 5: C 3 HOH 62 361 361 HOH HOH A . 5: C 3 HOH 63 362 362 HOH HOH A . 5: C 3 HOH 64 363 363 HOH HOH A . 5: C 3 HOH 65 364 364 HOH HOH A . 5: C 3 HOH 66 365 365 HOH HOH A . 5: C 3 HOH 67 366 366 HOH HOH A . 5: C 3 HOH 68 367 367 HOH HOH A . 5: C 3 HOH 69 368 368 HOH HOH A . 5: C 3 HOH 70 369 369 HOH HOH A . 5: C 3 HOH 71 370 370 HOH HOH A . 5: C 3 HOH 72 371 371 HOH HOH A . 5: C 3 HOH 73 372 372 HOH HOH A . 5: C 3 HOH 74 373 373 HOH HOH A . 5: C 3 HOH 75 374 374 HOH HOH A . 5: C 3 HOH 76 375 375 HOH HOH A . 5: C 3 HOH 77 376 376 HOH HOH A . 5: C 3 HOH 78 377 377 HOH HOH A . 5: C 3 HOH 79 378 378 HOH HOH A . 5: C 3 HOH 80 379 379 HOH HOH A . 5: C 3 HOH 81 380 380 HOH HOH A . 5: C 3 HOH 82 381 381 HOH HOH A . 5: C 3 HOH 83 382 382 HOH HOH A . 5: C 3 HOH 84 383 383 HOH HOH A . 5: C 3 HOH 85 384 384 HOH HOH A . 5: C 3 HOH 86 385 385 HOH HOH A . 5: C 3 HOH 87 386 386 HOH HOH A . 5: C 3 HOH 88 387 387 HOH HOH A . 5: C 3 HOH 89 388 388 HOH HOH A . 5: C 3 HOH 90 389 389 HOH HOH A . 5: C 3 HOH 91 390 390 HOH HOH A . 5: C 3 HOH 92 391 391 HOH HOH A . 5: C 3 HOH 93 392 392 HOH HOH A . 5: C 3 HOH 94 393 393 HOH HOH A . 5: C 3 HOH 95 394 394 HOH HOH A . 5: C 3 HOH 96 395 395 HOH HOH A . 5: C 3 HOH 97 396 396 HOH HOH A . 5: C 3 HOH 98 397 397 HOH HOH A . 5: C 3 HOH 99 398 398 HOH HOH A . 5: C 3 HOH 100 399 399 HOH HOH A . 5: # 5: loop_ 5: _pdbx_entity_nonpoly.entity_id 5: _pdbx_entity_nonpoly.name 5: _pdbx_entity_nonpoly.comp_id 5: 3 water HOH 5: 4 'RENAMED RETINOIC ACID' RXA 5: # 5: _struct_ref_seq.align_id 1 5: _struct_ref_seq.ref_id 1 5: _struct_ref_seq.pdbx_PDB_id_code 1CBS 5: _struct_ref_seq.pdbx_strand_id A 5: _struct_ref_seq.seq_align_beg 1 5: _struct_ref_seq.pdbx_seq_align_beg_ins_code ? 5: _struct_ref_seq.seq_align_end 137 5: _struct_ref_seq.pdbx_seq_align_end_ins_code ? 5: _struct_ref_seq.pdbx_db_accession P29373 5: _struct_ref_seq.db_align_beg 1 5: _struct_ref_seq.pdbx_db_align_beg_ins_code ? 5: _struct_ref_seq.db_align_end 137 5: _struct_ref_seq.pdbx_db_align_end_ins_code ? 5: _struct_ref_seq.pdbx_auth_seq_align_beg 1 5: _struct_ref_seq.pdbx_auth_seq_align_end 137 5: # 5: loop_ 5: _struct_sheet_range.sheet_id 5: _struct_sheet_range.id 5: _struct_sheet_range.beg_label_comp_id 5: _struct_sheet_range.beg_label_asym_id 5: _struct_sheet_range.beg_label_seq_id 5: _struct_sheet_range.pdbx_beg_PDB_ins_code 5: _struct_sheet_range.end_label_comp_id 5: _struct_sheet_range.end_label_asym_id 5: _struct_sheet_range.end_label_seq_id 5: _struct_sheet_range.pdbx_end_PDB_ins_code 5: _struct_sheet_range.beg_auth_comp_id 5: _struct_sheet_range.beg_auth_asym_id 5: _struct_sheet_range.beg_auth_seq_id 5: _struct_sheet_range.end_auth_comp_id 5: _struct_sheet_range.end_auth_asym_id 5: _struct_sheet_range.end_auth_seq_id 5: A 1 THR A 60 ? LYS A 66 ? THR A 60 LYS A 66 5: A 2 THR A 49 ? SER A 55 ? THR A 49 SER A 55 5: A 3 ALA A 40 ? GLU A 46 ? ALA A 40 GLU A 46 5: A 4 GLY A 5 ? GLU A 13 ? GLY A 5 GLU A 13 5: A 5 VAL A 128 ? ARG A 136 ? VAL A 128 ARG A 136 5: A 6 LEU A 119 ? ALA A 125 ? LEU A 119 ALA A 125 5: A 7 THR A 107 ? LEU A 113 ? THR A 107 LEU A 113 5: A 8 LYS A 92 ? LEU A 99 ? LYS A 92 LEU A 99 5: A 9 PRO A 80 ? SER A 89 ? PRO A 80 SER A 89 5: A 10 PHE A 71 ? GLN A 74 ? PHE A 71 GLN A 74 5: # 5: loop_ 5: _struct_conf.conf_type_id 5: _struct_conf.id 5: _struct_conf.pdbx_PDB_helix_id 5: _struct_conf.beg_label_comp_id 5: _struct_conf.beg_label_asym_id 5: _struct_conf.beg_label_seq_id 5: _struct_conf.pdbx_beg_PDB_ins_code 5: _struct_conf.end_label_comp_id 5: _struct_conf.end_label_asym_id 5: _struct_conf.end_label_seq_id 5: _struct_conf.pdbx_end_PDB_ins_code 5: _struct_conf.beg_auth_comp_id 5: _struct_conf.beg_auth_asym_id 5: _struct_conf.beg_auth_seq_id 5: _struct_conf.end_auth_comp_id 5: _struct_conf.end_auth_asym_id 5: _struct_conf.end_auth_seq_id 5: _struct_conf.pdbx_PDB_helix_class 5: _struct_conf.details 5: _struct_conf.pdbx_PDB_helix_length 5: HELX_P HELX_P1 1 ASN A 14 ? LEU A 22 ? ASN A 14 LEU A 22 1 ? 9 5: HELX_P HELX_P2 2 ASN A 25 ? SER A 37 ? ASN A 25 SER A 37 1 ? 13 5: # 5: loop_ 5: _struct_sheet_order.sheet_id 5: _struct_sheet_order.range_id_1 5: _struct_sheet_order.range_id_2 5: _struct_sheet_order.offset 5: _struct_sheet_order.sense 5: A 1 2 ? anti-parallel 5: A 2 3 ? anti-parallel 5: A 3 4 ? anti-parallel 5: A 4 5 ? anti-parallel 5: A 5 6 ? anti-parallel 5: A 6 7 ? anti-parallel 5: A 7 8 ? anti-parallel 5: A 8 9 ? anti-parallel 5: A 9 10 ? anti-parallel 5: # 5: loop_ 5: _pdbx_struct_sheet_hbond.sheet_id 5: _pdbx_struct_sheet_hbond.range_id_1 5: _pdbx_struct_sheet_hbond.range_id_2 5: _pdbx_struct_sheet_hbond.range_1_label_atom_id 5: _pdbx_struct_sheet_hbond.range_1_label_comp_id 5: _pdbx_struct_sheet_hbond.range_1_label_asym_id 5: _pdbx_struct_sheet_hbond.range_1_label_seq_id 5: _pdbx_struct_sheet_hbond.range_1_PDB_ins_code 5: _pdbx_struct_sheet_hbond.range_1_auth_atom_id 5: _pdbx_struct_sheet_hbond.range_1_auth_comp_id 5: _pdbx_struct_sheet_hbond.range_1_auth_asym_id 5: _pdbx_struct_sheet_hbond.range_1_auth_seq_id 5: _pdbx_struct_sheet_hbond.range_2_label_atom_id 5: _pdbx_struct_sheet_hbond.range_2_label_comp_id 5: _pdbx_struct_sheet_hbond.range_2_label_asym_id 5: _pdbx_struct_sheet_hbond.range_2_label_seq_id 5: _pdbx_struct_sheet_hbond.range_2_PDB_ins_code 5: _pdbx_struct_sheet_hbond.range_2_auth_atom_id 5: _pdbx_struct_sheet_hbond.range_2_auth_comp_id 5: _pdbx_struct_sheet_hbond.range_2_auth_asym_id 5: _pdbx_struct_sheet_hbond.range_2_auth_seq_id 5: A 1 2 O PHE A 65 ? O PHE A 65 N PHE A 50 ? N PHE A 50 5: A 2 3 N SER A 55 ? N SER A 55 O ALA A 40 ? O ALA A 40 5: A 3 4 N ILE A 43 ? N ILE A 43 O GLY A 5 ? O GLY A 5 5: A 4 5 N GLU A 13 ? N GLU A 13 O THR A 131 ? O THR A 131 5: A 5 6 N TYR A 134 ? N TYR A 134 O LEU A 119 ? O LEU A 119 5: A 6 7 N THR A 124 ? N THR A 124 O SER A 108 ? O SER A 108 5: A 7 8 O ARG A 111 ? O ARG A 111 N MET A 93 ? N MET A 93 5: A 8 9 O LYS A 98 ? O LYS A 98 N LYS A 82 ? N LYS A 82 5: A 9 10 N SER A 83 ? N SER A 83 O PHE A 71 ? O PHE A 71 5: # 5: =============================================================================== 5: test cases: 1 | 1 passed 5: assertions: - none - 5: 4/8 Test #5: rename-compound-test ............. Passed 0.19 sec 1: Choosing X-PLOR version '' as refinement program. Score = 1 1: Adding mandatory item value to category pdbx_struct_assembly_prop 1: Adding mandatory item conn_type_id to category struct_conn 1: Adding mandatory item ptnr1_label_asym_id to category struct_conn 1: Adding mandatory item ptnr1_label_comp_id to category struct_conn 1: Adding mandatory item ptnr1_label_seq_id to category struct_conn 1: Adding mandatory item ptnr2_label_asym_id to category struct_conn 1: Adding mandatory item ptnr2_label_comp_id to category struct_conn 1: Adding mandatory item ptnr2_label_seq_id to category struct_conn 1: The asym ID's of ndb_poly_seq_scheme and pdbx_poly_seq_scheme are not equal, dropping ndb_poly_seq_scheme 1: =============================================================================== 1: All tests passed (100465 assertions in 51 test cases) 1: 5/8 Test #1: unit-v2-test ..................... Passed 0.33 sec 2: Randomness seeded to: 1528747712 2: (1.70711,1.70711,0) 2: =============================================================================== 2: All tests passed (5099624 assertions in 15 test cases) 2: 6/8 Test #2: unit-3d-test ..................... Passed 1.48 sec 6: Randomness seeded to: 522680567 6: =============================================================================== 6: All tests passed (10 assertions in 2 test cases) 6: 7/8 Test #6: sugar-test ....................... Passed 2.79 sec 7: Randomness seeded to: 486896720 7: =============================================================================== 7: test cases: 3 | 3 passed 7: assertions: - none - 7: 8/8 Test #7: spinner-test ..................... Passed 5.53 sec 100% tests passed, 0 tests failed out of 8 Total Test time (real) = 5.55 sec make[1]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' rm -fr -- /tmp/dh-xdg-rundir-svtPGrqm create-stamp debian/debhelper-build-stamp dh_prep rm -f -- debian/libcifpp-dev.substvars debian/libcifpp-doc.substvars debian/libcifpp7.substvars debian/libcifpp-data.substvars rm -fr -- debian/.debhelper/generated/libcifpp-dev/ debian/libcifpp-dev/ debian/tmp/ debian/.debhelper/generated/libcifpp-doc/ debian/libcifpp-doc/ debian/.debhelper/generated/libcifpp7/ debian/libcifpp7/ debian/.debhelper/generated/libcifpp-data/ debian/libcifpp-data/ dh_installdirs install -m0755 -d debian/libcifpp-data/etc/libcifpp/cache-update.d dh_auto_install install -m0755 -d /build/reproducible-path/libcifpp-7.0.7/debian/tmp cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/libcifpp-7.0.7/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/libcifpp-7.0.7 -B/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall make[2]: Entering directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' make[2]: Nothing to be done for 'preinstall'. make[2]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "None" -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0.7 -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0 -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/lib/x86_64-linux-gnu/libcifpp.so -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/atom_type.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/category.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/compound.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/condition.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/datablock.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/dictionary_parser.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/exports.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/file.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/format.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/forward_decl.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/gzio.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/item.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/iterator.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/matrix.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/model.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/parser.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/pdb.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/point.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/row.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/symmetry.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/text.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/utilities.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/validate.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/pdb/cif2pdb.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/pdb/io.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/pdb/pdb2cif.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/include/cif++/pdb/tls.hpp -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/lib/cmake/cifpp/cifpp-targets.cmake -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/lib/cmake/cifpp/cifpp-targets-none.cmake -- Installing: 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Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a15ce5665ae421c0a3db9fac68c149836.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/classcif_1_1row.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a57a7530364c9dfa84f8607824e6d70e3.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1aa0722da1df2e70c4c68cb1e512978cae.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/structcif_1_1item__alias.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/library_root.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/variable_namespacecif_1a6dacacf91cee6e2c246a2334f0fbd607.html -- Installing: 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Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/typedef_namespacecif_1ae5965db5577f7f70118a5d976232d966.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1adecaf77ddb0b38da346fecf70b5df2e0.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a9a46e6bb8184b5c4b2867e50d4bafd46.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a8c224d1a874aab66b434422f03ed85d4.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/structcif_1_1item__validator.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/variable_gzio_8hpp_1a1cc3c9e961807f24cc997b0fdfbe76a6.html -- Installing: 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Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a86caa43dc2def46857ab3eb037b63f2b.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/structcif_1_1type__validator.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a1425b605f99bf04eeb638f55c0d91566.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_pdb_8hpp_1a5f015134e46f13c6ef9eb9ed84b66d1a.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/file_cif++_datablock.hpp.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/program_listing_file_cif++_pdb_cif2pdb.hpp.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/structcif_1_1item__handle.html -- Installing: 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Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1ad57ceedd9a74df6a781247532781c5fa.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/file_cif++_utilities.hpp.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/program_listing_file_cif++_file.hpp.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a89a5f58c129d13c01bd68e91d4a0c7a1.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_pdb_8hpp_1a6eb3f608312210636d8d4bd3fd69745a.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/file_cif++_format.hpp.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a4f2dd5c988ef77316bb4fdda57146fd5.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1ab80f7d084a897f8654fecdcbe4c598ba.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/enum_model_8hpp_1a6085af7e2c3294d3d5520e387757e8dd.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/define_utilities_8hpp_1abd165ee6474b5b75bf075842fff13a04.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a3f5264d06e1b2326aadfae8b3b114414.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1a2b6f06460cea1b44770b316c8c5d4b06.html -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/api/function_namespacecif_1acc0e956a0d6382e85c6ecb631e2edd21.html -- Installing: 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Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/fonts/Lato-Italic.ttf -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/fonts/fontawesome-webfont.ttf -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/pygments.css -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/jquery.js -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/_sphinx_javascript_frameworks_compat.js -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/css -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/css/badge_only.css -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/css/theme.css -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/language_data.js -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/basic.css -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/plus.png -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/file.png -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/searchtools.js -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/documentation_options.js -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/js -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/js/versions.js -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/js/theme.js -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/_static/minus.png -- Installing: /build/reproducible-path/libcifpp-7.0.7/debian/tmp/usr/share/doc/libcifpp/index.html make[1]: Leaving directory '/build/reproducible-path/libcifpp-7.0.7/obj-x86_64-linux-gnu' dh_install install -m0755 -d debian/libcifpp-dev//usr cp --reflink=auto -a debian/tmp/usr/include debian/libcifpp-dev//usr/ install -m0755 -d debian/libcifpp-dev//usr/lib/cmake/cifpp cp --reflink=auto -a debian/tmp/usr/lib/cmake/cifpp/cifpp-config-version.cmake debian/tmp/usr/lib/cmake/cifpp/cifpp-config.cmake debian/tmp/usr/lib/cmake/cifpp/cifpp-targets-none.cmake debian/tmp/usr/lib/cmake/cifpp/cifpp-targets.cmake debian/libcifpp-dev//usr/lib/cmake/cifpp/ install -m0755 -d debian/libcifpp-dev//usr/lib/x86_64-linux-gnu cp --reflink=auto -a debian/tmp/usr/lib/x86_64-linux-gnu/libcifpp.so debian/libcifpp-dev//usr/lib/x86_64-linux-gnu/ install -m0755 -d debian/libcifpp-doc//usr/share/doc/libcifpp cp --reflink=auto -a debian/tmp/usr/share/doc/libcifpp/_sources debian/tmp/usr/share/doc/libcifpp/_static debian/tmp/usr/share/doc/libcifpp/api debian/tmp/usr/share/doc/libcifpp/basics.html debian/tmp/usr/share/doc/libcifpp/bitsandpieces.html debian/tmp/usr/share/doc/libcifpp/compound.html debian/tmp/usr/share/doc/libcifpp/genindex.html debian/tmp/usr/share/doc/libcifpp/index.html debian/tmp/usr/share/doc/libcifpp/model.html debian/tmp/usr/share/doc/libcifpp/objects.inv debian/tmp/usr/share/doc/libcifpp/resources.html debian/tmp/usr/share/doc/libcifpp/search.html debian/tmp/usr/share/doc/libcifpp/searchindex.js debian/tmp/usr/share/doc/libcifpp/symmetry.html debian/libcifpp-doc//usr/share/doc/libcifpp/ install -m0755 -d debian/libcifpp7//usr/lib/x86_64-linux-gnu cp --reflink=auto -a debian/tmp/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0 debian/tmp/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0.7 debian/libcifpp7//usr/lib/x86_64-linux-gnu/ install -m0755 -d debian/libcifpp-data//etc/cron.weekly cp --reflink=auto -a debian/tmp/etc/cron.weekly/update-libcifpp-data debian/libcifpp-data//etc/cron.weekly/ install -m0755 -d debian/libcifpp-data//usr/share/libcifpp cp --reflink=auto -a debian/tmp/usr/share/libcifpp/mmcif_ddl.dic debian/tmp/usr/share/libcifpp/mmcif_ma.dic debian/tmp/usr/share/libcifpp/mmcif_pdbx.dic debian/libcifpp-data//usr/share/libcifpp/ dh_installdocs install -m0755 -d debian/libcifpp-dev/usr/share/doc/libcifpp-dev install -p -m0644 debian/copyright debian/libcifpp-dev/usr/share/doc/libcifpp-dev/copyright install -m0755 -d debian/libcifpp-doc/usr/share/doc/libcifpp-doc install -p -m0644 debian/copyright debian/libcifpp-doc/usr/share/doc/libcifpp-doc/copyright install -m0755 -d debian/libcifpp-doc/usr/share/doc-base/ install -p -m0644 debian/libcifpp-doc.doc-base debian/libcifpp-doc/usr/share/doc-base/libcifpp-doc.libcifpp-doc install -m0755 -d debian/libcifpp7/usr/share/doc/libcifpp7 install -m0755 -d debian/libcifpp7/usr/share/doc/libcifpp7 cp --reflink=auto -a ./README.md debian/libcifpp7/usr/share/doc/libcifpp7 chmod -R u\+rw,go=rX debian/libcifpp7/usr/share/doc install -p -m0644 debian/copyright debian/libcifpp7/usr/share/doc/libcifpp7/copyright install -m0755 -d debian/libcifpp-data/usr/share/doc/libcifpp-data install -p -m0644 debian/copyright debian/libcifpp-data/usr/share/doc/libcifpp-data/copyright dh_installchangelogs install -m0755 -d debian/libcifpp7/usr/share/doc/libcifpp7 install -p -m0644 debian/.debhelper/generated/libcifpp7/dh_installchangelogs.dch.trimmed debian/libcifpp7/usr/share/doc/libcifpp7/changelog.Debian install -p -m0644 ./changelog debian/libcifpp7/usr/share/doc/libcifpp7/changelog install -m0755 -d debian/libcifpp-dev/usr/share/doc/libcifpp-dev install -p -m0644 debian/.debhelper/generated/libcifpp-dev/dh_installchangelogs.dch.trimmed debian/libcifpp-dev/usr/share/doc/libcifpp-dev/changelog.Debian install -p -m0644 ./changelog debian/libcifpp-dev/usr/share/doc/libcifpp-dev/changelog install -m0755 -d debian/libcifpp-doc/usr/share/doc/libcifpp-doc install -p -m0644 debian/.debhelper/generated/libcifpp-doc/dh_installchangelogs.dch.trimmed debian/libcifpp-doc/usr/share/doc/libcifpp-doc/changelog.Debian install -p -m0644 ./changelog debian/libcifpp-doc/usr/share/doc/libcifpp-doc/changelog install -m0755 -d debian/libcifpp-data/usr/share/doc/libcifpp-data install -p -m0644 debian/.debhelper/generated/libcifpp-data/dh_installchangelogs.dch.trimmed debian/libcifpp-data/usr/share/doc/libcifpp-data/changelog.Debian install -p -m0644 ./changelog debian/libcifpp-data/usr/share/doc/libcifpp-data/changelog dh_installexamples install -m0755 -d debian/libcifpp-dev/usr/share/doc/libcifpp-dev/examples cp --reflink=auto -a ./examples/1cbs.cif.gz debian/libcifpp-dev/usr/share/doc/libcifpp-dev/examples cp --reflink=auto -a ./examples/example.cpp debian/libcifpp-dev/usr/share/doc/libcifpp-dev/examples cp --reflink=auto -a ./examples/CMakeLists.txt debian/libcifpp-dev/usr/share/doc/libcifpp-dev/examples dh_installdebconf install -m0755 -d debian/libcifpp-dev/DEBIAN install -m0755 -d debian/libcifpp-doc/DEBIAN install -m0755 -d debian/libcifpp7/DEBIAN install -m0755 -d debian/libcifpp-data/DEBIAN cp -f debian/libcifpp-data.config debian/libcifpp-data/DEBIAN/config [META] Replace #TOKEN#s in "debian/libcifpp-data/DEBIAN/config" chmod 0755 -- debian/libcifpp-data/DEBIAN/config po2debconf debian/libcifpp-data.templates > debian/libcifpp-data/DEBIAN/templates mv debian/libcifpp-data.substvars.new debian/libcifpp-data.substvars [META] Append autosnippet "postrm-debconf" to postrm [debian/libcifpp-data.postrm.debhelper] dh_perl dh_link rm -f debian/libcifpp-dev/usr/lib/x86_64-linux-gnu/libcifpp.so ln -s libcifpp.so.7.0 debian/libcifpp-dev/usr/lib/x86_64-linux-gnu/libcifpp.so rm -f debian/libcifpp7/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0 ln -s libcifpp.so.7.0.7 debian/libcifpp7/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0 dh_strip_nondeterminism Using 1730185215 as canonical time Normalizing debian/libcifpp-dev/usr/share/doc/libcifpp-dev/examples/1cbs.cif.gz using File::StripNondeterminism::handlers::gzip Using 1730185215 as canonical time Normalizing debian/libcifpp-doc/usr/share/doc/libcifpp/_static/plus.png using File::StripNondeterminism::handlers::png Normalizing debian/libcifpp-doc/usr/share/doc/libcifpp/_static/file.png using File::StripNondeterminism::handlers::png Normalizing debian/libcifpp-doc/usr/share/doc/libcifpp/_static/minus.png using File::StripNondeterminism::handlers::png dh_compress cd debian/libcifpp-dev cd debian/libcifpp-doc cd debian/libcifpp7 cd debian/libcifpp-data chmod a-x usr/share/doc/libcifpp-dev/changelog usr/share/doc/libcifpp-dev/changelog.Debian chmod a-x usr/share/doc/libcifpp7/README.md usr/share/doc/libcifpp7/changelog usr/share/doc/libcifpp7/changelog.Debian chmod a-x usr/share/doc/libcifpp-data/changelog usr/share/doc/libcifpp-data/changelog.Debian gzip -9nf usr/share/doc/libcifpp7/README.md usr/share/doc/libcifpp7/changelog usr/share/doc/libcifpp7/changelog.Debian gzip -9nf usr/share/doc/libcifpp-dev/changelog usr/share/doc/libcifpp-dev/changelog.Debian gzip -9nf usr/share/doc/libcifpp-data/changelog usr/share/doc/libcifpp-data/changelog.Debian chmod a-x usr/share/doc/libcifpp-doc/changelog usr/share/doc/libcifpp-doc/changelog.Debian usr/share/doc/libcifpp/_static/fonts/Lato-Bold.ttf usr/share/doc/libcifpp/_static/fonts/Lato-BoldItalic.ttf usr/share/doc/libcifpp/_static/fonts/Lato-Italic.ttf usr/share/doc/libcifpp/_static/fonts/Lato-Regular.ttf usr/share/doc/libcifpp/_static/fonts/fontawesome-webfont.eot usr/share/doc/libcifpp/_static/fonts/fontawesome-webfont.ttf cd '/build/reproducible-path/libcifpp-7.0.7' cd '/build/reproducible-path/libcifpp-7.0.7' cd '/build/reproducible-path/libcifpp-7.0.7' gzip -9nf usr/share/doc/libcifpp-doc/changelog usr/share/doc/libcifpp-doc/changelog.Debian usr/share/doc/libcifpp/_static/fonts/Lato-Bold.ttf usr/share/doc/libcifpp/_static/fonts/Lato-BoldItalic.ttf usr/share/doc/libcifpp/_static/fonts/Lato-Italic.ttf usr/share/doc/libcifpp/_static/fonts/Lato-Regular.ttf usr/share/doc/libcifpp/_static/fonts/fontawesome-webfont.eot usr/share/doc/libcifpp/_static/fonts/fontawesome-webfont.ttf cd '/build/reproducible-path/libcifpp-7.0.7' dh_fixperms find debian/libcifpp-dev ! -type l -a -true -a -true -print0 2>/dev/null | xargs -0r chmod go=rX,u+rw,a-s find debian/libcifpp-doc ! -type l -a -true -a -true -print0 2>/dev/null | xargs -0r chmod go=rX,u+rw,a-s find debian/libcifpp7 ! -type l -a -true -a -true -print0 2>/dev/null | xargs -0r chmod go=rX,u+rw,a-s find debian/libcifpp-data ! -type l -a -true -a -true -print0 2>/dev/null | xargs -0r chmod go=rX,u+rw,a-s find debian/libcifpp7/usr/share/doc -type f -a -true -a ! -regex 'debian/libcifpp7/usr/share/doc/[^/]*/examples/.*' -print0 2>/dev/null | xargs -0r chmod 0644 find debian/libcifpp-data/usr/share/doc -type f -a -true -a ! -regex 'debian/libcifpp-data/usr/share/doc/[^/]*/examples/.*' -print0 2>/dev/null | xargs -0r chmod 0644 find debian/libcifpp-dev/usr/share/doc -type f -a -true -a ! -regex 'debian/libcifpp-dev/usr/share/doc/[^/]*/examples/.*' -print0 2>/dev/null | xargs -0r chmod 0644 find debian/libcifpp7/usr/share/doc -type d -a -true -a -true -print0 2>/dev/null | xargs -0r chmod 0755 find debian/libcifpp-doc/usr/share/doc -type f -a -true -a ! -regex 'debian/libcifpp-doc/usr/share/doc/[^/]*/examples/.*' -print0 2>/dev/null | xargs -0r chmod 0644 find debian/libcifpp-data/usr/share/doc -type d -a -true -a -true -print0 2>/dev/null | xargs -0r chmod 0755 find debian/libcifpp-dev/usr/share/doc -type d -a -true -a -true -print0 2>/dev/null | xargs -0r chmod 0755 find debian/libcifpp7 -type f \( -name '*.so.*' -o -name '*.so' -o -name '*.la' -o -name '*.a' -o -name '*.js' -o -name '*.css' -o -name '*.scss' -o -name '*.sass' -o -name '*.jpeg' -o -name '*.jpg' -o -name '*.png' -o -name '*.gif' -o -name '*.cmxs' -o -name '*.node' \) -a -true -a -true -print0 2>/dev/null | xargs -0r chmod 0644 find debian/libcifpp-dev/usr/include -type f -a -true -a -true -print0 2>/dev/null | xargs -0r chmod 0644 find debian/libcifpp-data -type f \( -name '*.so.*' -o -name '*.so' -o -name '*.la' -o -name '*.a' -o -name '*.js' -o -name '*.css' -o -name '*.scss' -o -name '*.sass' -o -name '*.jpeg' -o -name '*.jpg' -o -name '*.png' -o -name '*.gif' -o -name '*.cmxs' -o -name '*.node' \) -a -true -a -true -print0 2>/dev/null | xargs -0r chmod 0644 find debian/libcifpp7/usr/lib -type f -name '*.ali' -a -true -a -true -print0 2>/dev/null | xargs -0r chmod uga-w find debian/libcifpp-dev -type f \( -name '*.so.*' -o -name '*.so' -o -name '*.la' -o -name '*.a' -o -name '*.js' -o -name '*.css' -o -name '*.scss' -o -name '*.sass' -o -name '*.jpeg' -o -name '*.jpg' -o -name '*.png' -o -name '*.gif' -o -name '*.cmxs' -o -name '*.node' \) -a -true -a -true -print0 2>/dev/null | xargs -0r chmod 0644 find debian/libcifpp-doc/usr/share/doc -type d -a -true -a -true -print0 2>/dev/null | xargs -0r chmod 0755 find debian/libcifpp-dev/usr/lib -type f -name '*.ali' -a -true -a -true -print0 2>/dev/null | xargs -0r chmod uga-w find debian/libcifpp-doc -type f \( -name '*.so.*' -o -name '*.so' -o -name '*.la' -o -name '*.a' -o -name '*.js' -o -name '*.css' -o -name '*.scss' -o -name '*.sass' -o -name '*.jpeg' -o -name '*.jpg' -o -name '*.png' -o -name '*.gif' -o -name '*.cmxs' -o -name '*.node' \) -a -true -a -true -print0 2>/dev/null | xargs -0r chmod 0644 dh_missing dh_dwz -a dwz -- debian/libcifpp7/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0.7 dh_strip -a install -m0755 -d debian/.debhelper/libcifpp7/dbgsym-root/usr/lib/debug/.build-id/c9 objcopy --only-keep-debug --compress-debug-sections debian/libcifpp7/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0.7 debian/.debhelper/libcifpp7/dbgsym-root/usr/lib/debug/.build-id/c9/9c8ffa9fe0d3807e1e7be7213228967349c52a.debug chmod 0644 -- debian/.debhelper/libcifpp7/dbgsym-root/usr/lib/debug/.build-id/c9/9c8ffa9fe0d3807e1e7be7213228967349c52a.debug strip --remove-section=.comment --remove-section=.note --strip-unneeded debian/libcifpp7/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0.7 objcopy --add-gnu-debuglink debian/.debhelper/libcifpp7/dbgsym-root/usr/lib/debug/.build-id/c9/9c8ffa9fe0d3807e1e7be7213228967349c52a.debug debian/libcifpp7/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0.7 install -m0755 -d debian/.debhelper/libcifpp7/dbgsym-root/usr/share/doc ln -s libcifpp7 debian/.debhelper/libcifpp7/dbgsym-root/usr/share/doc/libcifpp7-dbgsym install -m0755 -d debian/.debhelper/libcifpp7 dh_makeshlibs -a rm -f debian/libcifpp-dev/DEBIAN/shlibs rm -f debian/libcifpp7/DEBIAN/shlibs install -m0755 -d debian/libcifpp7/DEBIAN echo "libcifpp 7.0 libcifpp7 (>= 7.0.7)" >> debian/libcifpp7/DEBIAN/shlibs chmod 0644 -- debian/libcifpp7/DEBIAN/shlibs mv debian/.debhelper/generated/libcifpp7/triggers.new debian/.debhelper/generated/libcifpp7/triggers dh_shlibdeps -a install -m0755 -d debian/libcifpp7/DEBIAN dpkg-shlibdeps -Tdebian/libcifpp7.substvars debian/libcifpp7/usr/lib/x86_64-linux-gnu/libcifpp.so.7.0.7 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 from: /lib64/ld-linux-x86-64.so.2 dpkg-shlibdeps: warning: diversions involved - output may be incorrect diversion by libc6 to: /lib64/ld-linux-x86-64.so.2.usr-is-merged dh_installdeb install -m0755 -d debian/libcifpp-dev/DEBIAN install -m0755 -d debian/libcifpp-doc/DEBIAN install -m0755 -d debian/libcifpp7/DEBIAN install -p -m0644 debian/.debhelper/generated/libcifpp7/triggers debian/libcifpp7/DEBIAN/triggers install -m0755 -d debian/libcifpp-data/DEBIAN cp -f debian/libcifpp-data.postinst debian/libcifpp-data/DEBIAN/postinst [META] Replace #TOKEN#s in "debian/libcifpp-data/DEBIAN/postinst" chmod 0755 -- debian/libcifpp-data/DEBIAN/postinst cp -f debian/libcifpp-data.postrm debian/libcifpp-data/DEBIAN/postrm [META] Replace #TOKEN#s in "debian/libcifpp-data/DEBIAN/postrm" chmod 0755 -- debian/libcifpp-data/DEBIAN/postrm find debian/libcifpp-data/etc -type f -printf '/etc/%P ' | LC_ALL=C sort >> debian/libcifpp-data/DEBIAN/conffiles chmod 0644 -- debian/libcifpp-data/DEBIAN/conffiles dh_gencontrol install -m0755 -d debian/libcifpp-dev/DEBIAN echo misc:Depends= >> debian/libcifpp-dev.substvars echo misc:Pre-Depends= >> debian/libcifpp-dev.substvars dpkg-gencontrol -plibcifpp-dev -ldebian/changelog -Tdebian/libcifpp-dev.substvars -cdebian/control -Pdebian/libcifpp-dev install -m0755 -d debian/libcifpp-doc/DEBIAN echo misc:Depends= >> debian/libcifpp-doc.substvars echo misc:Pre-Depends= >> debian/libcifpp-doc.substvars dpkg-gencontrol -plibcifpp-doc -ldebian/changelog -Tdebian/libcifpp-doc.substvars -cdebian/control -Pdebian/libcifpp-doc install -m0755 -d debian/libcifpp7/DEBIAN echo misc:Depends= >> debian/libcifpp7.substvars echo misc:Pre-Depends= >> debian/libcifpp7.substvars install -m0755 -d debian/.debhelper/libcifpp7/dbgsym-root/DEBIAN dpkg-gencontrol -plibcifpp7 -ldebian/changelog -Tdebian/libcifpp7.substvars -cdebian/control -Pdebian/.debhelper/libcifpp7/dbgsym-root -UPre-Depends -URecommends -USuggests -UEnhances -UProvides -UEssential -UConflicts -DPriority=optional -UHomepage -UImportant -DAuto-Built-Package=debug-symbols -UProtected -UBuilt-Using -UStatic-Built-Using -DPackage=libcifpp7-dbgsym "-DDepends=libcifpp7 (= \${binary:Version})" "-DDescription=debug symbols for libcifpp7" -DBuild-Ids=c99c8ffa9fe0d3807e1e7be7213228967349c52a -DSection=debug -UReplaces -UBreaks install -m0755 -d debian/libcifpp-data/DEBIAN echo misc:Pre-Depends= >> debian/libcifpp-data.substvars dpkg-gencontrol -plibcifpp-data -ldebian/changelog -Tdebian/libcifpp-data.substvars -cdebian/control -Pdebian/libcifpp-data chmod 0644 -- debian/libcifpp-dev/DEBIAN/control chmod 0644 -- debian/.debhelper/libcifpp7/dbgsym-root/DEBIAN/control dpkg-gencontrol -plibcifpp7 -ldebian/changelog -Tdebian/libcifpp7.substvars -cdebian/control -Pdebian/libcifpp7 chmod 0644 -- debian/libcifpp-data/DEBIAN/control chmod 0644 -- debian/libcifpp-doc/DEBIAN/control chmod 0644 -- debian/libcifpp7/DEBIAN/control dh_md5sums install -m0755 -d debian/libcifpp-doc/DEBIAN install -m0755 -d debian/libcifpp-dev/DEBIAN install -m0755 -d debian/libcifpp7/DEBIAN install -m0755 -d debian/libcifpp-data/DEBIAN cd debian/libcifpp7 >/dev/null && xargs -r0 md5sum | perl -pe 'if (s@^\\@@) { s/\\\\/\\/g; }' > DEBIAN/md5sums cd debian/libcifpp-data >/dev/null && xargs -r0 md5sum | perl -pe 'if (s@^\\@@) { s/\\\\/\\/g; }' > DEBIAN/md5sums cd debian/libcifpp-dev >/dev/null && xargs -r0 md5sum | perl -pe 'if (s@^\\@@) { s/\\\\/\\/g; }' > DEBIAN/md5sums cd debian/libcifpp-doc >/dev/null && xargs -r0 md5sum | perl -pe 'if (s@^\\@@) { s/\\\\/\\/g; }' > DEBIAN/md5sums chmod 0644 -- debian/libcifpp-dev/DEBIAN/md5sums chmod 0644 -- debian/libcifpp7/DEBIAN/md5sums install -m0755 -d debian/.debhelper/libcifpp7/dbgsym-root/DEBIAN cd debian/.debhelper/libcifpp7/dbgsym-root >/dev/null && xargs -r0 md5sum | perl -pe 'if (s@^\\@@) { s/\\\\/\\/g; }' > DEBIAN/md5sums chmod 0644 -- debian/libcifpp-data/DEBIAN/md5sums chmod 0644 -- debian/.debhelper/libcifpp7/dbgsym-root/DEBIAN/md5sums chmod 0644 -- debian/libcifpp-doc/DEBIAN/md5sums dh_builddeb dpkg-deb --root-owner-group --build debian/libcifpp-dev .. dpkg-deb --root-owner-group --build debian/libcifpp-doc .. dpkg-deb --root-owner-group --build debian/libcifpp7 .. dpkg-deb --root-owner-group --build debian/.debhelper/libcifpp7/dbgsym-root .. dpkg-deb --root-owner-group --build debian/libcifpp-data .. dpkg-deb: building package 'libcifpp-dev' in '../libcifpp-dev_7.0.7-3_amd64.deb'. dpkg-deb: building package 'libcifpp-doc' in '../libcifpp-doc_7.0.7-3_all.deb'. dpkg-deb: building package 'libcifpp7' in '../libcifpp7_7.0.7-3_amd64.deb'. dpkg-deb: building package 'libcifpp7-dbgsym' in '../libcifpp7-dbgsym_7.0.7-3_amd64.deb'. dpkg-deb: building package 'libcifpp-data' in '../libcifpp-data_7.0.7-3_all.deb'. dpkg-genbuildinfo --build=binary -O../libcifpp_7.0.7-3_amd64.buildinfo dpkg-genchanges --build=binary -O../libcifpp_7.0.7-3_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) dpkg-source --after-build . dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env I: removing directory /srv/workspace/pbuilder/3166487 and its subdirectories I: Current time: Sun Jan 4 11:23:47 -12 2026 I: pbuilder-time-stamp: 1767569027 Mon Dec 2 17:00:49 UTC 2024 I: 1st build successful. Starting 2nd build on remote node ionos11-amd64.debian.net. Mon Dec 2 17:00:49 UTC 2024 I: Preparing to do remote build '2' on ionos11-amd64.debian.net. Mon Dec 2 17:29:39 UTC 2024 I: Deleting $TMPDIR on ionos11-amd64.debian.net. Mon Dec 2 17:29:40 UTC 2024 I: libcifpp_7.0.7-3_amd64.changes: Format: 1.8 Date: Tue, 29 Oct 2024 08:00:15 +0100 Source: libcifpp Binary: libcifpp-data libcifpp-dev libcifpp-doc libcifpp7 libcifpp7-dbgsym Architecture: all amd64 Version: 7.0.7-3 Distribution: unstable Urgency: medium Maintainer: Debian Med Packaging Team Changed-By: Maarten L. Hekkelman Description: libcifpp-data - Data files for libcifpp libcifpp-dev - Documentation for libcifpp libcifpp-doc - Development files for libcifpp libcifpp7 - Library files for libcifpp Closes: 1085237 Changes: libcifpp (7.0.7-3) unstable; urgency=medium . * Closes: #1085237 Checksums-Sha1: 1669b50c654926a0ff131db1596725d1e81da122 484108 libcifpp-data_7.0.7-3_all.deb 7203e8ebaa7458bc3818ab02bcc1da3a2e96597f 110820 libcifpp-dev_7.0.7-3_amd64.deb f43479d02b5d01ee91dee19f9990aa1d5650a89e 3351612 libcifpp-doc_7.0.7-3_all.deb 30e651ee13e480a53e055a483a12886508c1e6cf 19280960 libcifpp7-dbgsym_7.0.7-3_amd64.deb a7d0edc89db7d47ef73e3f9213c7c10ba6004860 1027660 libcifpp7_7.0.7-3_amd64.deb 6a86a38156c9c1f9faeb8ab0b8f60ddca14099e8 11896 libcifpp_7.0.7-3_amd64.buildinfo Checksums-Sha256: 2907a1dda5f942d96035650eac9bc0c9906e4b893e42c6ee40095cd63dc3fd7b 484108 libcifpp-data_7.0.7-3_all.deb 2465d6e933dc2a18357ca83ede66aa007871dca42063649c0f0069a90dd01954 110820 libcifpp-dev_7.0.7-3_amd64.deb 72e103e9698caee1794063a07df02df7caf49f543ae3677f7cdd39b632bd39f2 3351612 libcifpp-doc_7.0.7-3_all.deb 197cbd63b226e013602257aef9296886c9419eddc0dd0407796cb17871d7e37c 19280960 libcifpp7-dbgsym_7.0.7-3_amd64.deb 5bd76dbbd021471c1edbb50088ab399efff45d4f08ea0850714743793301abe6 1027660 libcifpp7_7.0.7-3_amd64.deb 4201648723d35710674a3a3b5ec11dadb17863f67ead3bd2076e46c8d7c45840 11896 libcifpp_7.0.7-3_amd64.buildinfo Files: b560ccb360db722c14753770dc4c71ce 484108 libs optional libcifpp-data_7.0.7-3_all.deb 970cca66cab7c2932cfabfa835efd23d 110820 libdevel optional libcifpp-dev_7.0.7-3_amd64.deb 1224fbbab06c338d4d5eb022f6713ab8 3351612 doc optional libcifpp-doc_7.0.7-3_all.deb adb6dd8bd155880ddf1e186f1f0e0da3 19280960 debug optional libcifpp7-dbgsym_7.0.7-3_amd64.deb 76fab9d0206a78d6342c847e6d173ce7 1027660 libs optional libcifpp7_7.0.7-3_amd64.deb e9b1a74cdd6634fcaef2218d8c979f8b 11896 libs optional libcifpp_7.0.7-3_amd64.buildinfo Mon Dec 2 17:29:41 UTC 2024 I: diffoscope 283 will be used to compare the two builds: Running as unit: rb-diffoscope-amd64_6-26918.service # Profiling output for: /usr/bin/diffoscope --timeout 7200 --html /srv/reproducible-results/rbuild-debian/r-b-build.RWjhhAim/libcifpp_7.0.7-3.diffoscope.html --text /srv/reproducible-results/rbuild-debian/r-b-build.RWjhhAim/libcifpp_7.0.7-3.diffoscope.txt --json /srv/reproducible-results/rbuild-debian/r-b-build.RWjhhAim/libcifpp_7.0.7-3.diffoscope.json --profile=- /srv/reproducible-results/rbuild-debian/r-b-build.RWjhhAim/b1/libcifpp_7.0.7-3_amd64.changes /srv/reproducible-results/rbuild-debian/r-b-build.RWjhhAim/b2/libcifpp_7.0.7-3_amd64.changes ## close_archive (total time: 0.000s) 0.000s 4 calls diffoscope.comparators.tar.TarContainer 0.000s 4 calls diffoscope.comparators.xz.XzContainer ## command (total time: 0.653s) 0.288s 17 calls diff 0.277s 6 calls xz 0.035s 5 calls cmp 0.035s 5 calls cmp (external) 0.016s 44 calls html2text 0.001s 19 calls cmp (internal) ## compare_files (cumulative) (total time: 5.872s) 1.573s 1 call abc.DotChangesFile 1.484s 1 call abc.DebFile 1.443s 2 calls abc.XzFile 1.105s 1 call abc.DebDataTarFile 0.125s 4 calls abc.HtmlFile 0.063s 4 calls abc.TextFile 0.052s 1 call abc.TarFile 0.027s 1 call abc.Md5sumsFile ## container_extract (total time: 0.583s) 0.288s 1404 calls diffoscope.comparators.deb.DebTarContainer 0.278s 6 calls diffoscope.comparators.xz.XzContainer 0.014s 8 calls diffoscope.comparators.deb.DebContainer 0.003s 6 calls diffoscope.comparators.tar.TarContainer ## diff (total time: 0.003s) 0.003s 3 calls linediff ## has_same_content_as (total time: 0.039s) 0.034s 5 calls abc.DebFile 0.002s 1 call abc.DebDataTarFile 0.001s 6 calls abc.TextFile 0.001s 4 calls abc.HtmlFile 0.000s 2 calls abc.Md5sumsFile 0.000s 1 call abc.DotChangesFile 0.000s 1 call abc.TarFile 0.000s 2 calls abc.XzFile ## main (total time: 2.284s) 2.224s 2 calls outputs 0.059s 1 call cleanup ## open_archive (total time: 0.000s) 0.000s 6 calls diffoscope.comparators.xz.XzContainer 0.000s 4 calls diffoscope.comparators.tar.TarContainer 0.000s 2 calls diffoscope.comparators.deb.DebTarContainer 0.000s 2 calls diffoscope.comparators.deb.DebContainer ## output (total time: 0.112s) 0.111s 1 call html 0.001s 1 call text 0.001s 1 call json ## recognizes (total time: 0.379s) 0.218s 12 calls diffoscope.comparators.binary.FilesystemFile 0.094s 874 calls diffoscope.comparators.utils.libarchive.LibarchiveMember 0.041s 270 calls diffoscope.comparators.debian.DebControlMember 0.026s 260 calls diffoscope.comparators.utils.archive.ArchiveMember ## specialize (total time: 0.146s) 0.146s 22 calls specialize Finished with result: success Main processes terminated with: code=exited/status=1 Service runtime: 2.623s CPU time consumed: 2.837s Mon Dec 2 17:29:44 UTC 2024 W: Diffoscope claims the build is reproducible, but there is a diffoscope file. Please investigate. Mon Dec 2 17:29:44 UTC 2024 E: libcifpp failed to build reproducibly in unstable on amd64. Mon Dec 2 17:29:45 UTC 2024 I: Submitting .buildinfo files to external archives: Mon Dec 2 17:29:45 UTC 2024 I: Submitting 16K b1/libcifpp_7.0.7-3_amd64.buildinfo.asc Mon Dec 2 17:29:46 UTC 2024 I: Submitting 16K b2/libcifpp_7.0.7-3_amd64.buildinfo.asc Mon Dec 2 17:29:47 UTC 2024 I: Done submitting .buildinfo files to http://buildinfo.debian.net/api/submit. Mon Dec 2 17:29:47 UTC 2024 I: Done submitting .buildinfo files. Mon Dec 2 17:29:47 UTC 2024 I: Removing signed libcifpp_7.0.7-3_amd64.buildinfo.asc files: removed './b1/libcifpp_7.0.7-3_amd64.buildinfo.asc' removed './b2/libcifpp_7.0.7-3_amd64.buildinfo.asc'