@kinemage 1 @text coordinates from file: 1S83H.pdb USER MOD reduceV2.21 H: found=2359, std=2347, add=0, rem=0, adj=7 HEADER HYDROLASE 30-JAN-04 1S83 TITLE PORCINE TRYPSIN COMPLEXED WITH 4-AMINO PROPANOL KEYWDS HYDROLASE, SERINE PROTEASE EXPDTA X-RAY DIFFRACTION AUTHOR T.R.TRANSUE,J.M.KRAHN,S.A.GABEL,E.F.DEROSE,R.E.LONDON REMARK 2 RESOLUTION. 1.25 ANGSTROMS. coordinates from file: 1JIR.pdb [+] This compound is identified as **CRYSTAL STRUCTURE OF TRYPSIN COMPLEX WITH AMYLAMINE IN CYCLOHEXANE** [+] This is a crystal structure at 2.00 A resolution. [+] 1 chain(s) is/are present [1 unique chain(s)] [+] A total of 223 residues are present. [+] Mainchain, sidechains, and hydrogens are present. [+] 7 hetero group(s) is/are present. [+] Refinement was carried out in X-PLOR 3.843. [+] Data was collected at 295.0 K. [+] R = 0.169; Rfree = 0.210 @caption coordinates from 1jirH.pdb, 1s83H.pdb @pdbfile {1jirH.pdb} @onewidth @viewid {Overview} @zoom 1.10 @zslab 270 @ztran 0 @center 33.319 34.398 3.341 @matrix 0.855781 0.511078 0.080240 -0.017374 0.183406 -0.982884 -0.517047 0.839739 0.165835 @2viewid {Arg 66} @2zoom 4.5 @2zslab 75 @2ztran 0 @2center 34.390 24.663 -8.573 @2matrix -0.69780 0.52345 -0.48894 0.48053 0.84836 0.22241 0.53124 -0.07983 -0.84347 @3viewid {Gln 64} @3zoom 4.50 @3zslab 70 @3ztran 0 @3center 37.327 24.325 -10.353 @3matrix -0.57043 0.70723 -0.41762 0.43994 0.69251 0.57181 0.69363 0.14237 -0.70614 @4viewid {Trp 141} @4zoom 4.5 @4zslab 52 @4ztran 0 @4center 28.404 28.166 -2.671 @4matrix 0.823923 -0.402526 -0.398877 0.561628 0.485823 0.669802 -0.075913 -0.775860 0.626344 @5viewid {Phe 82} @5zoom 4.5 @5zslab 55 @5ztran 0 @5center 34.885 27.026 -12.169 @5matrix 0.830170 -0.082353 -0.551375 0.046916 -0.975247 0.216277 -0.555595 -0.205367 -0.805710 @6viewid {Asn 34} @6zoom 4.50 @6zslab 41 @6ztran 0 @6center 36.010 22.373 -5.781 @6matrix 0.72536 -0.68818 -0.01530 -0.55172 -0.59456 0.58497 -0.41169 -0.41579 -0.81096 @master {alta} @master {altb} @master {mainchain} @master {Calphas} @master {sidechain} @master {H's} @master {hets} @master {water} @master {vdw contact} @master {small overlap} @master {bad overlap} @master {H-bonds} @master {Arg dots} @master {1jir map} @master {1s83 map} @pointmaster 'a' {alta} on @pointmaster 'b' {altb} on @group {1JIRa} dominant animate @subgroup {mainchain} dominant @vectorlist {mc} color= yellowtint master= {mainchain} { n ala a 24 B24.71 1JIR}P 20.243 33.691 -6.095 { ca val a 31 B17.40 1JIR}P 33.727 32.201 -3.776 { c val a 31 B18.31 1JIR} 33.727 30.863 -3.048 { o val a 31 B16.57 1JIR} 33.573 30.788 -1.815 { c val a 31 B18.31 1JIR}P 33.727 30.863 -3.048 { n ser a 32 B17.58 1JIR} 33.858 29.804 -3.836 { ca ser a 32 B18.01 1JIR} 33.912 28.438 -3.332 { c ser a 32 B15.74 1JIR} 35.306 27.893 -3.660 { o ser a 32 B17.81 1JIR} 35.811 28.100 -4.762 { c ser a 32 B15.74 1JIR}P 35.306 27.893 -3.660 { n leu a 33 B13.83 1JIR} 35.967 27.306 -2.668 { ca leu a 33 B16.67 1JIR} 37.283 26.713 -2.886 { c leu a 33 B15.26 1JIR} 36.967 25.240 -3.141 { o leu a 33 B14.66 1JIR} 36.316 24.578 -2.323 { c leu a 33 B15.26 1JIR}P 36.967 25.240 -3.141 { n asn a 34 B14.60 1JIR} 37.393 24.752 -4.300 { ca asn a 34 B16.25 1JIR} 37.082 23.387 -4.719 { c asn a 34 B15.71 1JIR} 38.291 22.488 -5.029 { o asn a 34 B15.55 1JIR} 39.279 22.920 -5.631 { c asn a 34 B15.71 1JIR}P 38.291 22.488 -5.029 { n ser a 37 B16.95 1JIR} 38.184 21.232 -4.606 { ca ser a 37 B18.81 1JIR} 39.210 20.219 -4.851 { c ser a 37 B20.19 1JIR} 38.452 18.921 -5.160 { o ser a 37 B18.15 1JIR} 38.724 17.863 -4.589 { c ser a 37 B20.19 1JIR}P 38.452 18.921 -5.160 { n gly a 38 B20.56 1JIR} 37.488 19.028 -6.068 { ca gly a 38 B18.86 1JIR} 36.658 17.895 -6.428 { c gly a 38 B19.75 1JIR} 35.425 17.892 -5.544 { o gly a 38 B15.50 1JIR} 34.590 16.997 -5.615 { c gly a 38 B19.75 1JIR}P 35.425 17.892 -5.544 { n tyr a 39 B20.80 1JIR} 35.336 18.906 -4.686 { ca tyr a 39 B19.55 1JIR} 34.224 19.088 -3.757 { c tyr a 39 B18.84 1JIR} 34.426 20.436 -3.056 { o tyr a 39 B16.92 1JIR} 35.548 20.937 -2.982 { c tyr a 39 B18.84 1JIR}P 34.426 20.436 -3.056 { n his a 40 B18.63 1JIR} 33.341 21.037 -2.577 { ca his a 40 B16.48 1JIR} 33.440 22.323 -1.879 { c his a 40 B14.16 1JIR} 34.022 22.116 -0.482 { o his a 40 B13.04 1JIR} 33.509 21.322 0.291 { c his a 40 B14.16 1JIR}P 34.022 22.116 -0.482 { n phe a 41 B16.27 1JIR} 35.082 22.834 -0.144 { ca phe a 41 B18.32 1JIR} 35.643 22.662 1.186 { ca ile a 63 B25.23 1JIR}P 42.745 24.555 -5.344 { c ile a 63 B22.54 1JIR} 42.188 25.199 -6.603 { o ile a 63 B25.57 1JIR} 42.922 25.825 -7.377 { c ile a 63 B22.54 1JIR}P 42.188 25.199 -6.603 { n gln a 64 B20.08 1JIR} 40.898 24.990 -6.838 { ca gln a 64 B19.00 1JIR} 40.243 25.620 -7.969 { c gln a 64 B17.90 1JIR} 39.194 26.546 -7.362 { o gln a 64 B15.72 1JIR} 38.324 26.107 -6.602 { c gln a 64 B17.90 1JIR}P 39.194 26.546 -7.362 { n val a 65 B17.30 1JIR} 39.339 27.832 -7.645 { ca val a 65 B17.72 1JIR} 38.422 28.850 -7.141 { c val a 65 B16.91 1JIR} 37.231 28.953 -8.079 { o val a 65 B18.46 1JIR} 37.398 29.144 -9.282 { c val a 65 B16.91 1JIR}P 37.231 28.953 -8.079 { n arg a 66 B18.63 1JIR} 36.032 28.783 -7.529 { ca arg a 66 B19.10 1JIR} 34.808 28.842 -8.322 { c arg a 66 B19.54 1JIR} 34.031 30.125 -7.991 { o arg a 66 B19.19 1JIR} 33.558 30.312 -6.865 { c arg a 66 B19.54 1JIR}P 34.031 30.125 -7.991 { n leu a 67 B19.70 1JIR} 33.955 31.017 -8.977 { ca leu a 67 B20.18 1JIR} 33.267 32.306 -8.848 { c leu a 67 B19.41 1JIR} 31.869 32.263 -9.472 { o leu a 67 B16.10 1JIR} 31.582 31.403 -10.315 { c leu a 67 B19.41 1JIR}P 31.869 32.263 -9.472 { n gly a 69 B17.39 1JIR} 31.019 33.220 -9.085 { ca gly a 69 B16.74 1JIR} 29.668 33.309 -9.623 { c gly a 69 B16.32 1JIR} 28.736 32.146 -9.325 { o gly a 69 B16.67 1JIR} 27.708 31.973 -9.987 { c gly a 69 B16.32 1JIR}P 28.736 32.146 -9.325 { n glu a 70 B16.13 1JIR} 29.079 31.372 -8.305 { ca glu a 70 B16.02 1JIR} 28.307 30.204 -7.891 { c glu a 70 B20.23 1JIR} 27.047 30.479 -7.067 { o glu a 70 B18.44 1JIR} 26.945 31.495 -6.378 { c glu a 70 B20.23 1JIR}P 27.047 30.479 -7.067 { n asp a 71 B18.50 1JIR} 26.098 29.551 -7.167 { ca asp a 71 B19.30 1JIR} 24.872 29.555 -6.379 { c asp a 71 B18.96 1JIR} 24.681 28.075 -6.045 { o asp a 71 B21.63 1JIR} 25.052 27.631 -4.954 { c asp a 71 B18.96 1JIR}P 24.681 28.075 -6.045 { n asn a 72 B18.08 1JIR} 24.116 27.303 -6.974 { ca asn a 72 B20.45 1JIR} 23.987 25.868 -6.745 { c asn a 72 B20.66 1JIR} 25.375 25.358 -7.129 { o asn a 72 B21.60 1JIR} 25.767 25.450 -8.292 { c asn a 72 B20.66 1JIR}P 25.375 25.358 -7.129 { n ile a 73 B20.33 1JIR} 26.123 24.859 -6.152 { ca ile a 73 B22.02 1JIR} 27.474 24.369 -6.401 { c ile a 73 B22.88 1JIR} 27.553 22.959 -6.986 { o ile a 73 B22.83 1JIR} 28.648 22.452 -7.231 { c ile a 73 B22.88 1JIR}P 27.553 22.959 -6.986 { n asn a 74 B25.64 1JIR} 26.402 22.329 -7.200 { ca asn a 74 B26.38 1JIR} 26.359 20.980 -7.756 { c asn a 74 B27.26 1JIR} 25.931 20.963 -9.221 { o asn a 74 B26.30 1JIR} 26.135 19.972 -9.920 { c asn a 74 B27.26 1JIR}P 25.931 20.963 -9.221 { n val a 75 B25.31 1JIR} 25.362 22.073 -9.684 { ca val a 75 B23.90 1JIR} 24.882 22.194 -11.062 { c val a 75 B22.13 1JIR} 25.505 23.385 -11.781 { o val a 75 B20.43 1JIR} 25.636 24.457 -11.203 { c val a 75 B22.13 1JIR}P 25.505 23.385 -11.781 { n val a 76 B18.85 1JIR} 25.910 23.192 -13.034 { ca val a 76 B18.24 1JIR} 26.462 24.287 -13.827 { c val a 76 B21.03 1JIR} 25.236 24.997 -14.416 { o val a 76 B20.84 1JIR} 24.551 24.451 -15.281 { c val a 76 B21.03 1JIR}P 25.236 24.997 -14.416 { n glu a 77 B19.82 1JIR} 24.944 26.206 -13.942 { ca glu a 77 B22.50 1JIR} 23.763 26.911 -14.439 { c glu a 77 B19.96 1JIR} 24.021 28.239 -15.137 { o glu a 77 B24.84 1JIR} 23.084 28.918 -15.539 { c glu a 77 B19.96 1JIR}P 24.021 28.239 -15.137 { n gly a 78 B17.72 1JIR} 25.289 28.566 -15.354 { ca gly a 78 B20.96 1JIR} 25.631 29.816 -16.007 { c gly a 78 B19.24 1JIR} 26.193 30.820 -15.019 { o gly a 78 B20.90 1JIR} 25.815 30.816 -13.848 { c gly a 78 B19.24 1JIR}P 26.193 30.820 -15.019 { n asn a 79 B20.84 1JIR} 27.105 31.663 -15.497 { ca asn a 79 B23.32 1JIR} 27.768 32.702 -14.698 { c asn a 79 B24.01 1JIR} 28.990 32.224 -13.917 { o asn a 79 B22.44 1JIR} 29.761 33.047 -13.419 { c asn a 79 B24.01 1JIR}P 28.990 32.224 -13.917 { n glu a 80 B21.75 1JIR} 29.172 30.908 -13.802 { ca glu a 80 B22.49 1JIR} 30.328 30.381 -13.081 { c glu a 80 B20.56 1JIR} 31.631 30.648 -13.814 { o glu a 80 B24.52 1JIR} 31.657 30.750 -15.038 { c glu a 80 B20.56 1JIR}P 31.631 30.648 -13.814 { n gln a 81 B22.34 1JIR} 32.706 30.764 -13.045 { ca gln a 81 B22.29 1JIR} 34.054 30.959 -13.577 { c gln a 81 B23.01 1JIR} 34.972 30.096 -12.708 { o gln a 81 B21.56 1JIR} 35.056 30.307 -11.495 { c gln a 81 B23.01 1JIR}P 34.972 30.096 -12.708 { n phe a 82 B23.06 1JIR} 35.578 29.074 -13.312 { ca phe a 82 B21.22 1JIR} 36.497 28.181 -12.603 { c phe a 82 B21.85 1JIR} 37.911 28.625 -12.946 { o phe a 82 B22.06 1JIR} 38.301 28.657 -14.119 { c phe a 82 B21.85 1JIR}P 37.911 28.625 -12.946 { n ile a 83 B20.96 1JIR} 38.672 29.008 -11.927 { ca ile a 83 B19.72 1JIR} 40.036 29.471 -12.143 { c ile a 83 B20.50 1JIR} 40.957 28.805 -11.127 { o ile a 83 B20.95 1JIR} 40.661 28.786 -9.929 { c ile a 83 B20.50 1JIR}P 40.957 28.805 -11.127 { n ser a 84 B19.47 1JIR} 42.039 28.208 -11.619 { ca ser a 84 B22.61 1JIR} 43.011 27.543 -10.752 { n ala a 85 B22.35 1JIR}P 44.197 28.184 -8.745 { n ser a 88 B24.76 1JIR}P 48.955 30.052 -3.083 { c ser a 122 B21.21 1JIR}P 36.761 45.999 0.984 @vectorlist {Calphas} color= yellowtint master= {Calphas} { ca ile a 16 B22.37 1JIR}P 25.090 28.426 7.785 { ca ile a 16 B22.37 1JIR} 25.090 28.426 7.785 { ca val a 17 B20.25 1JIR} 22.720 27.319 10.549 { ca gly a 18 B25.33 1JIR} 19.426 29.164 11.010 { ca gly a 19 B24.32 1JIR} 19.955 31.234 7.885 { ca tyr a 20 B25.18 1JIR} 18.128 31.775 4.609 { ca thr a 21 B23.23 1JIR} 18.683 31.324 0.875 { ca cys a 22 B22.73 1JIR} 20.566 34.380 -0.408 { ca gly a 23 B24.40 1JIR} 19.237 34.180 -3.939 { ca ala a 24 B25.04 1JIR} 21.316 33.605 -7.087 { ca asn a 25 B25.22 1JIR} 24.352 35.896 -7.352 { ca thr a 26 B25.17 1JIR} 23.193 38.318 -4.609 { ca val a 27 B22.34 1JIR} 26.603 37.938 -2.925 { ca pro a 28 B23.06 1JIR} 28.903 38.484 -5.983 { ca tyr a 29 B18.35 1JIR} 32.118 38.471 -3.920 { ca gln a 30 B16.06 1JIR} 31.470 34.991 -2.504 { ca val a 31 B17.40 1JIR} 33.727 32.201 -3.776 { ca phe a 41 B18.32 1JIR}P 35.643 22.662 1.186 { ca cys a 42 B19.78 1JIR} 35.831 26.376 2.063 { ca gly a 43 B14.22 1JIR} 34.472 29.800 1.236 { ca gly a 44 B14.43 1JIR} 36.432 32.887 0.258 { ca ser a 45 B17.28 1JIR} 36.134 36.532 -0.757 { ca leu a 46 B19.11 1JIR} 37.179 38.121 -4.015 { ca ile a 47 B22.01 1JIR} 39.042 41.355 -3.193 { ca asn a 48 B23.97 1JIR} 40.104 42.168 -6.775 { ca ser a 49 B26.67 1JIR} 40.273 40.591 -10.242 { ca gln a 50 B26.74 1JIR} 43.196 38.319 -9.269 { ca trp a 51 B18.11 1JIR} 43.037 37.780 -5.508 { ca val a 52 B16.89 1JIR} 40.891 35.929 -3.006 { ca val a 53 B17.11 1JIR} 41.098 36.132 0.775 { ca ser a 54 B15.74 1JIR} 40.252 33.044 2.822 { ca ala a 55 B11.30 1JIR} 41.207 31.260 6.047 { ca ala a 56 B16.52 1JIR} 44.714 29.879 6.542 { ca his a 57 B18.81 1JIR} 43.290 26.597 7.891 { ca cys a 58 B17.50 1JIR} 41.608 26.086 4.503 { ca tyr a 59 B22.38 1JIR} 45.011 25.754 2.843 { ca lys a 60 B25.86 1JIR} 45.867 22.790 0.632 { ca ser a 61 B28.77 1JIR} 47.602 22.202 -2.685 { ca gly a 62 B30.45 1JIR} 45.493 22.006 -5.831 { ca ile a 63 B25.23 1JIR} 42.745 24.555 -5.344 { ca ser a 84 B22.61 1JIR}P 43.011 27.543 -10.752 { ca ala a 85 B24.40 1JIR} 45.017 29.018 -7.879 { ca ser a 86 B27.92 1JIR} 48.551 29.836 -9.007 { ca lys a 87 B27.80 1JIR} 49.634 30.299 -5.384 { ca ser a 88 B24.76 1JIR} 48.211 30.339 -1.869 { ca ile a 89 B17.55 1JIR} 49.849 32.639 0.669 { ca val a 90 B16.87 1JIR} 49.277 31.602 4.269 { ca his a 91 B14.80 1JIR} 50.075 34.241 6.880 { ca pro a 92 B13.49 1JIR} 53.613 33.367 8.134 { ca ser a 93 B17.92 1JIR} 52.497 33.652 11.757 { ca tyr a 94 B18.66 1JIR} 49.459 31.398 11.402 { ca asn a 95 B22.80 1JIR} 49.316 29.001 14.349 { ca ser a 96 B28.37 1JIR} 47.262 25.842 13.752 { ca asn a 97 B32.93 1JIR} 46.799 25.163 17.481 { ca thr a 98 B27.57 1JIR} 45.306 28.548 18.396 { ca leu a 99 B27.82 1JIR} 44.112 29.627 14.936 { ca asn a 100 B22.29 1JIR} 45.683 33.048 15.494 { ca asn a 101 B19.58 1JIR} 46.369 34.814 12.167 { ca asp a 102 B17.84 1JIR} 43.853 32.620 10.331 { ca ile a 103 B17.50 1JIR} 44.142 34.373 6.982 { ca met a 104 B18.99 1JIR} 45.257 33.279 3.520 { ca leu a 105 B16.03 1JIR} 45.736 35.089 0.225 { ca ile a 106 B16.48 1JIR} 45.028 33.192 -2.981 { ca lys a 107 B17.18 1JIR} 46.305 34.423 -6.333 { ca leu a 108 B18.68 1JIR} 44.290 33.329 -9.380 { ca lys a 109 B22.58 1JIR} 46.083 31.885 -12.416 { ca ser a 110 B24.72 1JIR} 44.216 34.331 -14.652 { ca ala a 111 B26.97 1JIR} 42.151 37.457 -13.981 { ca ala a 112 B25.36 1JIR} 38.481 36.981 -13.135 { ca ser a 113 B29.27 1JIR} 35.813 38.568 -15.323 { ca leu a 114 B33.41 1JIR} 34.065 41.203 -13.211 { ca asn a 115 B39.57 1JIR} 30.366 41.848 -13.813 { ca ser a 116 B39.66 1JIR} 26.929 41.966 -12.168 { ca arg a 117 B35.89 1JIR} 27.231 38.402 -10.812 { ca val a 118 B26.56 1JIR} 30.958 38.496 -10.011 { ca ala a 119 B23.66 1JIR} 32.432 41.457 -8.129 { ca ser a 120 B22.57 1JIR} 35.065 42.220 -5.503 { ca ile a 121 B23.14 1JIR} 34.384 43.339 -1.922 { ca ser a 122 B23.98 1JIR} 36.169 46.342 -0.372 { ca leu a 123 B23.42 1JIR} 38.744 46.040 2.395 { ca pro a 124 B30.27 1JIR} 37.953 48.021 5.591 { ca thr a 125 B33.78 1JIR} 39.468 51.427 6.402 { ca ser a 127 B31.52 1JIR} 38.689 51.000 10.095 { ca cys a 128 B26.23 1JIR} 37.619 48.274 12.504 { ca ala a 129 B24.88 1JIR} 33.854 47.934 12.884 { ca ser a 130 B24.48 1JIR} 32.413 48.560 16.339 { ca ala a 132 B21.91 1JIR} 30.320 46.119 18.374 { ca gly a 133 B21.81 1JIR} 26.619 46.061 17.515 { ca thr a 134 B25.32 1JIR} 27.289 46.424 13.779 { ca gln a 135 B26.97 1JIR} 25.145 44.118 11.634 { ca cys a 136 B22.99 1JIR} 27.001 41.881 9.178 { ca leu a 137 B15.41 1JIR} 26.134 39.441 6.410 { ca ile a 138 B18.39 1JIR} 27.774 36.019 6.748 { ca ser a 139 B18.85 1JIR} 27.403 33.491 3.914 { ca gly a 140 B20.04 1JIR} 28.426 30.043 2.694 { ca trp a 141 B14.12 1JIR} 27.638 26.499 1.612 { ca gly a 142 B18.03 1JIR} 28.532 25.054 5.001 { ca asn a 143 B24.09 1JIR} 26.525 22.702 7.220 { ca thr a 144 B28.00 1JIR} 22.987 23.901 8.045 { ca lys a 145 B41.10 1JIR} 22.500 21.662 11.088 { ca ser a 146 B49.41 1JIR} 23.529 22.182 14.719 { ca ser a 147 B54.40 1JIR} 23.601 18.483 15.608 { ca gly a 148 B52.91 1JIR} 23.417 16.549 12.353 { ca thr a 149 B48.32 1JIR} 24.914 17.035 8.898 { ca ser a 150 B38.03 1JIR} 23.146 18.583 5.906 { ca tyr a 151 B31.34 1JIR} 25.028 20.448 3.184 { ca pro a 152 B27.56 1JIR} 23.070 22.794 0.867 { ca asp a 153 B28.05 1JIR} 23.180 23.084 -2.910 { ca val a 154 B23.71 1JIR} 22.594 26.857 -2.950 { ca leu a 155 B19.66 1JIR} 24.344 29.670 -1.078 { ca lys a 156 B19.71 1JIR} 22.981 30.378 2.391 { ca cys a 157 B22.45 1JIR} 23.044 33.761 4.181 { ca leu a 158 B21.04 1JIR} 22.990 35.022 7.756 { ca lys a 159 B23.60 1JIR} 22.650 38.468 9.307 { ca ala a 160 B18.13 1JIR} 24.559 38.646 12.595 { ca pro a 161 B18.02 1JIR} 25.910 41.349 14.908 { ca ile a 162 B20.35 1JIR} 29.520 41.786 16.020 { ca leu a 163 B20.88 1JIR} 29.656 41.100 19.758 { ca ser a 164 B19.63 1JIR} 31.593 43.124 22.326 { ca asp a 165 B25.07 1JIR} 35.051 41.814 23.198 { ca ser a 166 B24.03 1JIR} 34.055 41.322 26.834 { ca ser a 167 B21.65 1JIR} 31.257 38.913 25.886 { ca cys a 168 B20.87 1JIR} 33.514 37.223 23.344 { ca lys a 169 B20.99 1JIR} 36.359 36.655 25.835 { ca ser a 170 B22.30 1JIR} 33.791 35.493 28.411 { ca ala a 171 B25.14 1JIR} 32.519 32.826 26.010 { ca tyr a 172 B23.90 1JIR} 36.054 31.650 25.192 { ca pro a 173 B23.97 1JIR} 38.327 32.390 28.190 { ca gly a 174 B25.85 1JIR} 41.965 32.776 27.115 { ca gln a 175 B27.82 1JIR} 41.339 31.742 23.498 { ca ile a 176 B20.14 1JIR} 40.539 35.117 21.912 { ca thr a 177 B20.27 1JIR} 43.423 37.188 20.563 { ca ser a 178 B22.80 1JIR} 43.443 40.747 19.218 { ca asn a 179 B20.43 1JIR} 43.120 39.242 15.717 { ca met a 180 B19.43 1JIR} 39.751 37.666 16.413 { ca phe a 181 B20.44 1JIR} 36.230 38.835 17.132 { ca cys a 182 B18.72 1JIR} 32.937 37.177 17.920 { ca ala a 183 B18.24 1JIR} 29.719 37.627 15.965 { ca gly a 184a B20.83 1JIR} 26.379 35.897 16.260 { ca tyr a 184 B22.71 1JIR} 23.743 35.005 18.828 { ca leu a 185 B28.99 1JIR} 24.197 33.836 22.415 { ca glu a 186 B34.17 1JIR} 20.737 32.213 22.452 { ca gly a 187 B35.64 1JIR} 22.019 29.842 19.772 { ca gly a 188a B30.15 1JIR} 20.180 28.785 16.620 { ca lys a 188 B28.56 1JIR} 22.037 31.005 14.142 { ca asp a 189 B22.04 1JIR} 25.741 30.678 13.304 { ca ser a 190 B19.81 1JIR} 28.219 29.760 10.564 { ca cys a 191 B19.80 1JIR} 29.407 26.128 10.461 { ca gln a 192 B24.48 1JIR} 31.688 23.511 8.823 { ca gly a 193 B21.67 1JIR} 32.048 24.378 5.159 { ca asp a 194 B19.89 1JIR} 31.634 28.109 5.800 { ca ser a 195 B16.82 1JIR} 35.296 28.451 6.855 { ca gly a 196 B11.99 1JIR} 37.193 31.106 4.957 { ca gly a 197 B16.33 1JIR} 33.950 32.856 4.090 { ca pro a 198 B16.34 1JIR} 33.182 36.608 4.335 { ca val a 199 B17.53 1JIR} 31.623 38.610 7.151 { ca val a 200 B19.82 1JIR} 30.532 41.836 5.481 { ca cys a 201 B22.83 1JIR} 29.432 44.879 7.466 { ca ser a 202 B28.84 1JIR} 28.589 48.196 5.770 { ca gly a 203 B25.20 1JIR} 29.934 47.069 2.400 { ca lys a 204 B21.57 1JIR} 33.309 46.106 3.920 { ca leu a 209 B18.20 1JIR} 35.028 42.776 4.600 { ca gln a 210 B19.06 1JIR} 35.464 42.803 8.385 { ca gly a 211 B16.72 1JIR} 35.803 39.097 9.090 { ca ile a 212 B13.84 1JIR} 36.658 35.622 7.829 { ca val a 213 B12.44 1JIR} 34.832 32.546 9.131 { ca ser a 214 B17.33 1JIR} 37.459 30.936 11.357 { ca trp a 215 B20.48 1JIR} 36.239 28.813 14.285 { ca gly a 216 B24.04 1JIR} 33.889 28.175 17.172 { ca ser a 217 B27.90 1JIR} 32.781 25.488 19.611 { ca gly a 219 B27.14 1JIR} 30.236 23.478 17.667 { ca cys a 220 B24.82 1JIR} 27.585 25.312 15.660 { ca ala a 221a B23.86 1JIR} 24.694 27.510 16.812 { ca gln a 221 B30.73 1JIR} 25.186 26.403 20.424 { ca lys a 222 B32.56 1JIR} 24.145 28.837 23.168 { ca asn a 223 B30.02 1JIR} 26.929 30.924 24.725 { ca lys a 224 B27.75 1JIR} 29.310 29.756 22.009 { ca pro a 225 B22.66 1JIR} 29.207 32.379 19.238 { ca gly a 226 B17.17 1JIR} 31.278 32.189 16.072 { ca val a 227 B16.07 1JIR} 34.850 33.463 16.060 { ca tyr a 228 B15.00 1JIR} 36.118 35.321 13.026 { ca thr a 229 B19.37 1JIR} 39.439 36.650 11.794 { ca lys a 230 B21.27 1JIR} 39.693 40.417 12.402 { ca val a 231 B18.31 1JIR} 40.441 41.582 8.851 { ca cys a 232 B22.02 1JIR} 41.009 45.220 9.864 { ca asn a 233 B19.58 1JIR} 44.272 44.130 11.560 { ca tyr a 234 B18.47 1JIR} 45.621 42.790 8.250 { ca val a 235 B17.95 1JIR} 44.854 45.522 5.714 { ca ser a 236 B25.52 1JIR} 48.503 46.629 5.512 { ca trp a 237 B24.26 1JIR} 49.807 43.056 5.272 { ca ile a 238 B18.90 1JIR} 47.300 42.166 2.541 { ca lys a 239 B21.00 1JIR} 48.214 45.248 0.501 { ca gln a 240 B20.43 1JIR} 51.964 44.731 0.976 { ca thr a 241 B21.33 1JIR} 51.827 41.021 0.113 { ca ile a 242 B24.56 1JIR} 49.756 41.618 -3.031 { ca ala a 243 B26.05 1JIR} 52.116 44.400 -4.182 { ca ser a 244 B27.29 1JIR} 55.182 42.158 -4.020 { ca asn a 245 B32.18 1JIR} 53.550 39.150 -5.741 @subgroup {sidechain} @balllist {O} color= red radius= 0.150 { oe1 gln a 64 B23.57 1JIR} 38.723 23.984 -12.097 @balllist {N} color= sky radius= 0.150 { ne2 gln a 64 B13.31 1JIR} 37.159 23.705 -10.519 @vectorlist {sc} color= sky master= {sidechain} { ca val a 31 B17.40 1JIR}P 33.727 32.201 -3.776 { cb val a 31 B20.24 1JIR} 35.190 32.539 -4.216 { cg1 val a 31 B21.98 1JIR} 35.307 33.978 -4.664 { cb val a 31 B20.24 1JIR}P 35.190 32.539 -4.216 { cg2 val a 31 B20.36 1JIR} 36.178 32.219 -3.122 { ca ser a 32 B18.01 1JIR}P 33.912 28.438 -3.332 { cb ser a 32 B18.71 1JIR} 32.836 27.586 -4.017 { og ser a 32 B21.96 1JIR} 32.967 26.212 -3.691 { ca leu a 33 B16.67 1JIR}P 37.283 26.713 -2.886 { cb leu a 33 B14.69 1JIR} 38.191 26.920 -1.670 { cg leu a 33 B14.33 1JIR} 38.409 28.399 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1JIR} 32.030 24.148 -0.807 { nd1 his a 40 B16.62 1JIR} 32.414 25.424 -1.159 { ce1 his a 40 B15.84 1JIR} 32.366 26.206 -0.095 { ne2 his a 40 B17.09 1JIR} ghost 31.959 25.485 0.936 { cg his a 40 B16.13 1JIR}P 32.030 24.148 -0.807 { cd2 his a 40 B16.84 1JIR} 31.736 24.197 0.515 { ne2 his a 40 B17.09 1JIR} 31.959 25.485 0.936 { ca phe a 41 B18.32 1JIR}P 35.643 22.662 1.186 { cb phe a 41 B13.50 1JIR} 36.994 21.928 1.124 { cg phe a 41 B14.47 1JIR} 38.095 22.715 0.455 { cd1 phe a 41 B12.61 1JIR} 38.899 23.579 1.194 { ce1 phe a 41 B13.12 1JIR} 39.935 24.275 0.589 { cz phe a 41 B12.23 1JIR} 40.181 24.116 -0.763 { cg phe a 41 B14.47 1JIR}P 38.095 22.715 0.455 { cd2 phe a 41 B13.87 1JIR} 38.353 22.564 -0.902 { ce2 phe a 41 B14.90 1JIR} 39.393 23.264 -1.511 { cz phe a 41 B12.23 1JIR} ghost 40.181 24.116 -0.763 { ce1 his a 57 B17.52 1JIR}P 39.229 27.864 9.255 { cd lys a 60 B30.60 1JIR}P 42.240 21.693 -0.035 { ca ile a 63 B25.23 1JIR}P 42.745 24.555 -5.344 { cb ile a 63 B25.68 1JIR} 42.896 25.663 -4.262 { cg2 ile a 63 B19.21 1JIR} 41.612 26.485 -4.161 { ca gln a 64 B19.00 1JIR}P 40.243 25.620 -7.969 { cb gln a 64 B18.15 1JIR} 39.571 24.610 -8.883 { cg gln a 64 B18.69 1JIR} 38.940 25.266 -10.099 { cd gln a 64 B21.96 1JIR} 38.258 24.264 -10.995 { oe1 gln a 64 B23.57 1JIR} 38.723 23.984 -12.097 { cd gln a 64 B21.96 1JIR}P 38.258 24.264 -10.995 { ne2 gln a 64 B13.31 1JIR} 37.159 23.705 -10.519 { ca val a 65 B17.72 1JIR}P 38.422 28.850 -7.141 { cb val a 65 B15.76 1JIR} 39.135 30.222 -7.036 { cg1 val a 65 B18.55 1JIR} 38.218 31.251 -6.395 { cb val a 65 B15.76 1JIR}P 39.135 30.222 -7.036 { cg2 val a 65 B15.70 1JIR} 40.410 30.076 -6.220 { ca leu a 67 B20.18 1JIR}P 33.267 32.306 -8.848 { cb leu a 67 B17.87 1JIR} 34.080 33.393 -9.562 { cg leu a 67 B22.89 1JIR} 35.598 33.432 -9.369 { cd1 leu a 67 B24.74 1JIR} 36.236 34.315 -10.421 { cg leu a 67 B22.89 1JIR}P 35.598 33.432 -9.369 { cd2 leu a 67 B22.80 1JIR} 35.943 33.927 -7.991 { ca glu a 70 B16.02 1JIR}P 28.307 30.204 -7.891 { cb glu a 70 B17.54 1JIR} 29.197 29.287 -7.048 { cg glu a 70 B20.60 1JIR} 30.291 28.548 -7.812 { cd glu a 70 B22.56 1JIR} 29.750 27.365 -8.591 { oe1 glu a 70 B17.80 1JIR} 28.519 27.278 -8.750 { cd glu a 70 B22.56 1JIR}P 29.750 27.365 -8.591 { oe2 glu a 70 B25.18 1JIR} 30.549 26.511 -9.026 { ca asp a 71 B19.30 1JIR}P 24.872 29.555 -6.379 { cb asp a 71 B19.17 1JIR} 23.667 30.122 -7.131 { ca asn a 72 B20.45 1JIR}P 23.987 25.868 -6.745 { cb asn a 72 B20.12 1JIR} 22.928 25.238 -7.652 { ca ile a 73 B22.02 1JIR}P 27.474 24.369 -6.401 { cb ile a 73 B20.10 1JIR} 28.335 24.416 -5.123 { cg1 ile a 73 B19.18 1JIR} 27.662 23.618 -4.007 { cd1 ile a 73 B29.17 1JIR} 28.519 23.440 -2.774 { cb ile a 73 B20.10 1JIR}P 28.335 24.416 -5.123 { cg2 ile a 73 B21.30 1JIR} 28.606 25.855 -4.723 { ca asn a 74 B26.38 1JIR}P 26.359 20.980 -7.756 { cb asn a 74 B26.50 1JIR} 25.420 20.094 -6.935 { cg asn a 74 B30.50 1JIR} 25.910 19.882 -5.518 { od1 asn a 74 B30.13 1JIR} 27.069 19.526 -5.296 { cg asn a 74 B30.50 1JIR}P 25.910 19.882 -5.518 { nd2 asn a 74 B30.56 1JIR} 25.027 20.097 -4.546 { ca val a 75 B23.90 1JIR}P 24.882 22.194 -11.062 { cb val a 75 B23.58 1JIR} 23.336 22.394 -11.080 { cg1 val a 75 B25.95 1JIR} 22.844 22.708 -12.486 { cb val a 75 B23.58 1JIR}P 23.336 22.394 -11.080 { cg2 val a 75 B25.54 1JIR} 22.636 21.163 -10.532 { ca val a 76 B18.24 1JIR}P 26.462 24.287 -13.827 { cb val a 76 B16.69 1JIR} 27.362 23.770 -14.976 { cg1 val a 76 B18.50 1JIR} 27.845 24.933 -15.828 { cb val a 76 B16.69 1JIR}P 27.362 23.770 -14.976 { cg2 val a 76 B16.10 1JIR} 28.548 22.997 -14.416 { ca glu a 77 B22.50 1JIR}P 23.763 26.911 -14.439 { cb glu a 77 B25.29 1JIR} 22.720 27.061 -13.317 { cg glu a 77 B24.21 1JIR} 23.152 27.918 -12.134 { cd glu a 77 B26.86 1JIR} 22.410 27.593 -10.834 { oe1 glu a 77 B23.69 1JIR} 22.959 27.885 -9.759 { cd glu a 77 B26.86 1JIR}P 22.410 27.593 -10.834 { oe2 glu a 77 B28.96 1JIR} 21.287 27.052 -10.868 { ca asn a 79 B23.32 1JIR}P 27.768 32.702 -14.698 { cb asn a 79 B24.67 1JIR} 26.795 33.400 -13.739 { ca glu a 80 B22.49 1JIR}P 30.328 30.381 -13.081 { cb glu a 80 B23.52 1JIR} 30.227 28.864 -12.871 { cg glu a 80 B22.82 1JIR} 29.067 28.404 -12.038 { cd glu a 80 B24.61 1JIR} 27.856 28.045 -12.863 { oe1 glu a 80 B24.58 1JIR} 27.838 28.322 -14.080 { cd glu a 80 B24.61 1JIR}P 27.856 28.045 -12.863 { oe2 glu a 80 B25.54 1JIR} 26.914 27.476 -12.291 { ca gln a 81 B22.29 1JIR}P 34.054 30.959 -13.577 { cb gln a 81 B22.36 1JIR} 34.500 32.427 -13.488 { cg gln a 81 B25.56 1JIR} 33.757 33.399 -14.401 { cd gln a 81 B25.92 1JIR} 34.227 34.844 -14.236 { oe1 gln a 81 B22.95 1JIR} 35.423 35.131 -14.285 { cd gln a 81 B25.92 1JIR}P 34.227 34.844 -14.236 { ne2 gln a 81 B27.11 1JIR} 33.278 35.760 -14.046 { ca phe a 82 B21.22 1JIR}P 36.497 28.181 -12.603 { cb phe a 82 B22.76 1JIR} 36.298 26.712 -13.021 { cg phe a 82 B19.93 1JIR} 34.939 26.145 -12.680 { cd1 phe a 82 B24.29 1JIR} 34.010 26.882 -11.936 { ce1 phe a 82 B19.00 1JIR} 32.748 26.358 -11.643 { cz phe a 82 B21.48 1JIR} 32.405 25.084 -12.097 { cg phe a 82 B19.93 1JIR}P 34.939 26.145 -12.680 { cd2 phe a 82 B21.86 1JIR} 34.579 24.871 -13.125 { ce2 phe a 82 B19.31 1JIR} 33.324 24.340 -12.840 { cz phe a 82 B21.48 1JIR} ghost 32.405 25.084 -12.097 { ca ile a 83 B19.72 1JIR}P 40.036 29.471 -12.143 { cb ile a 83 B18.75 1JIR} 40.125 31.020 -12.011 { cg1 ile a 83 B15.64 1JIR} 39.166 31.701 -12.992 { cd1 ile a 83 B13.03 1JIR} 39.111 33.225 -12.828 { cb ile a 83 B18.75 1JIR}P 40.125 31.020 -12.011 { cg2 ile a 83 B16.10 1JIR} 41.543 31.504 -12.263 { ca ser a 84 B22.61 1JIR}P 43.011 27.543 -10.752 { cb ser a 84 B24.74 1JIR} 43.963 26.660 -11.570 { og ser a 84 B27.83 1JIR} 43.267 25.649 -12.280 { cb trp a 141 B16.39 1JIR}P 28.125 25.989 0.250 { cg trp a 141 B11.10 1JIR} 27.702 26.844 -0.931 { cd1 trp a 141 B12.46 1JIR} 26.545 26.739 -1.639 { ne1 trp a 141 B13.32 1JIR} 26.554 27.612 -2.702 { ce2 trp a 141 B9.94 1JIR} ghost 27.730 28.314 -2.689 { cg trp a 141 B11.10 1JIR}P 27.702 26.844 -0.931 { cd2 trp a 141 B12.42 1JIR} 28.479 27.859 -1.582 { ce2 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9.065 { ca asp a 102 B17.84 1JIR}P 43.853 32.620 10.331 { cb asp a 102 B19.84 1JIR} 42.646 31.980 11.021 { cg asp a 102 B20.25 1JIR} 42.129 30.753 10.291 { od1 asp a 102 B15.79 1JIR} 42.823 30.240 9.389 { cg asp a 102 B20.25 1JIR}P 42.129 30.753 10.291 { od2 asp a 102 B21.37 1JIR} 41.022 30.293 10.636 { ca ser a 195 B16.82 1JIR}P 35.296 28.451 6.855 { cb ser a 195 B20.45 1JIR} 36.203 27.273 7.208 { og ser a 195 B20.78 1JIR} 35.713 26.586 8.334 @subgroup {1jir R dots} dominant master= {Arg dots} @dotlist {x} color= white master= {vdw contact} { CB ARG66 } blue 32.480 28.516 -8.006 { CB ARG66 } blue 32.430 28.386 -7.790 { CB ARG66 } blue 32.398 28.360 -8.206 { CB ARG66 } sky 32.334 28.227 -7.991 { CB ARG66 } sky 32.317 28.102 -7.763 { CB ARG66 } blue 32.357 28.195 -8.413 { CB ARG66 } sky 32.283 28.061 -8.207 { CB ARG66 } sky 32.247 27.935 -7.986 { CB ARG66 } blue 32.249 27.835 -8.335 { CB ARG66 } blue 32.215 27.709 -8.115 { CB ARG66 } blue 32.220 27.594 -7.887 { CB ARG66 } blue 34.220 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{ ca val a 27 B22.34 1JIR} 26.603 37.938 -2.925 { ca pro a 28 B23.06 1JIR} 28.903 38.484 -5.983 { ca tyr a 29 B18.35 1JIR} 32.118 38.471 -3.920 { ca gln a 30 B16.06 1JIR} 31.470 34.991 -2.504 { ca val a 31 B17.40 1JIR} 33.727 32.201 -3.776 { ca ser a 32 B18.01 1JIR} 33.912 28.438 -3.332 { ca leu a 33 B16.67 1JIR} 37.283 26.713 -2.886 { ca asn a 34 B16.25 1JIR} 37.082 23.387 -4.719 { ca ser a 37 B18.81 1JIR} 39.210 20.219 -4.851 { ca gly a 38 B18.86 1JIR} 36.658 17.895 -6.428 { ca tyr a 39 B19.55 1JIR} 34.224 19.088 -3.757 { ca his a 40 B16.48 1JIR} 33.440 22.323 -1.879 { ca phe a 41 B18.32 1JIR} 35.643 22.662 1.186 { ca cys a 42 B19.78 1JIR} 35.831 26.376 2.063 { ca gly a 43 B14.22 1JIR} 34.472 29.800 1.236 { ca gly a 44 B14.43 1JIR} 36.432 32.887 0.258 { ca ser a 45 B17.28 1JIR} 36.134 36.532 -0.757 { ca leu a 46 B19.11 1JIR} 37.179 38.121 -4.015 { ca ile a 47 B22.01 1JIR} 39.042 41.355 -3.193 { ca asn a 48 B23.97 1JIR} 40.104 42.168 -6.775 { ca ser a 49 B26.67 1JIR} 40.273 40.591 -10.242 { ca gln a 50 B26.74 1JIR} 43.196 38.319 -9.269 { ca trp a 51 B18.11 1JIR} 43.037 37.780 -5.508 { ca val a 52 B16.89 1JIR} 40.891 35.929 -3.006 { ca val a 53 B17.11 1JIR} 41.098 36.132 0.775 { ca ser a 54 B15.74 1JIR} 40.252 33.044 2.822 { ca ala a 55 B11.30 1JIR} 41.207 31.260 6.047 { ca ala a 56 B16.52 1JIR} 44.714 29.879 6.542 { ca his a 57 B18.81 1JIR} 43.290 26.597 7.891 { ca cys a 58 B17.50 1JIR} 41.608 26.086 4.503 { ca tyr a 59 B22.38 1JIR} 45.011 25.754 2.843 { ca lys a 60 B25.86 1JIR} 45.867 22.790 0.632 { ca ser a 61 B28.77 1JIR} 47.602 22.202 -2.685 { ca gly a 62 B30.45 1JIR} 45.493 22.006 -5.831 { ca ile a 63 B25.23 1JIR} 42.745 24.555 -5.344 { ca gln a 64 B19.00 1JIR} 40.243 25.620 -7.969 { ca val a 65 B17.72 1JIR} 38.422 28.850 -7.141 { ca leu a 67 B20.18 1JIR}P 33.267 32.306 -8.848 { ca gly a 69 B16.74 1JIR} 29.668 33.309 -9.623 { ca glu a 70 B16.02 1JIR} 28.307 30.204 -7.891 { ca asp a 71 B19.30 1JIR} 24.872 29.555 -6.379 { ca asn a 72 B20.45 1JIR} 23.987 25.868 -6.745 { ca ile a 73 B22.02 1JIR} 27.474 24.369 -6.401 { ca asn a 74 B26.38 1JIR} 26.359 20.980 -7.756 { ca val a 75 B23.90 1JIR} 24.882 22.194 -11.062 { ca val a 76 B18.24 1JIR} 26.462 24.287 -13.827 { ca glu a 77 B22.50 1JIR} 23.763 26.911 -14.439 { ca gly a 78 B20.96 1JIR} 25.631 29.816 -16.007 { ca asn a 79 B23.32 1JIR} 27.768 32.702 -14.698 { ca glu a 80 B22.49 1JIR} 30.328 30.381 -13.081 { ca gln a 81 B22.29 1JIR} 34.054 30.959 -13.577 { ca phe a 82 B21.22 1JIR} 36.497 28.181 -12.603 { ca ile a 83 B19.72 1JIR} 40.036 29.471 -12.143 { ca ser a 84 B22.61 1JIR} 43.011 27.543 -10.752 { ca ala a 85 B24.40 1JIR} 45.017 29.018 -7.879 { ca ser a 86 B27.92 1JIR} 48.551 29.836 -9.007 { ca lys a 87 B27.80 1JIR} 49.634 30.299 -5.384 { ca ser a 88 B24.76 1JIR} 48.211 30.339 -1.869 { ca ile a 89 B17.55 1JIR} 49.849 32.639 0.669 { ca val a 90 B16.87 1JIR} 49.277 31.602 4.269 { ca his a 91 B14.80 1JIR} 50.075 34.241 6.880 { ca pro a 92 B13.49 1JIR} 53.613 33.367 8.134 { ca ser a 93 B17.92 1JIR} 52.497 33.652 11.757 { ca tyr a 94 B18.66 1JIR} 49.459 31.398 11.402 { ca asn a 95 B22.80 1JIR} 49.316 29.001 14.349 { ca ser a 96 B28.37 1JIR} 47.262 25.842 13.752 { ca asn a 97 B32.93 1JIR} 46.799 25.163 17.481 { ca thr a 98 B27.57 1JIR} 45.306 28.548 18.396 { ca leu a 99 B27.82 1JIR} 44.112 29.627 14.936 { ca asn a 100 B22.29 1JIR} 45.683 33.048 15.494 { ca asn a 101 B19.58 1JIR} 46.369 34.814 12.167 { ca asp a 102 B17.84 1JIR} 43.853 32.620 10.331 { ca ile a 103 B17.50 1JIR} 44.142 34.373 6.982 { ca met a 104 B18.99 1JIR} 45.257 33.279 3.520 { ca leu a 105 B16.03 1JIR} 45.736 35.089 0.225 { ca ile a 106 B16.48 1JIR} 45.028 33.192 -2.981 { ca lys a 107 B17.18 1JIR} 46.305 34.423 -6.333 { ca leu a 108 B18.68 1JIR} 44.290 33.329 -9.380 { ca lys a 109 B22.58 1JIR} 46.083 31.885 -12.416 { ca ser a 110 B24.72 1JIR} 44.216 34.331 -14.652 { ca ala a 111 B26.97 1JIR} 42.151 37.457 -13.981 { ca ala a 112 B25.36 1JIR} 38.481 36.981 -13.135 { ca ser a 113 B29.27 1JIR} 35.813 38.568 -15.323 { ca leu a 114 B33.41 1JIR} 34.065 41.203 -13.211 { ca asn a 115 B39.57 1JIR} 30.366 41.848 -13.813 { ca ser a 116 B39.66 1JIR} 26.929 41.966 -12.168 { ca arg a 117 B35.89 1JIR} 27.231 38.402 -10.812 { ca val a 118 B26.56 1JIR} 30.958 38.496 -10.011 { ca ala a 119 B23.66 1JIR} 32.432 41.457 -8.129 { ca ser a 120 B22.57 1JIR} 35.065 42.220 -5.503 { ca ile a 121 B23.14 1JIR} 34.384 43.339 -1.922 { ca ser a 122 B23.98 1JIR} 36.169 46.342 -0.372 { ca leu a 123 B23.42 1JIR} 38.744 46.040 2.395 { ca pro a 124 B30.27 1JIR} 37.953 48.021 5.591 { ca thr a 125 B33.78 1JIR} 39.468 51.427 6.402 { ca ser a 127 B31.52 1JIR} 38.689 51.000 10.095 { ca cys a 128 B26.23 1JIR} 37.619 48.274 12.504 { ca ala a 129 B24.88 1JIR} 33.854 47.934 12.884 { ca ser a 130 B24.48 1JIR} 32.413 48.560 16.339 { ca ala a 132 B21.91 1JIR} 30.320 46.119 18.374 { ca gly a 133 B21.81 1JIR} 26.619 46.061 17.515 { ca thr a 134 B25.32 1JIR} 27.289 46.424 13.779 { ca gln a 135 B26.97 1JIR} 25.145 44.118 11.634 { ca cys a 136 B22.99 1JIR} 27.001 41.881 9.178 { ca leu a 137 B15.41 1JIR} 26.134 39.441 6.410 { ca ile a 138 B18.39 1JIR} 27.774 36.019 6.748 { ca ser a 139 B18.85 1JIR} 27.403 33.491 3.914 { ca gly a 140 B20.04 1JIR} 28.426 30.043 2.694 { ca trp a 141 B14.12 1JIR} 27.638 26.499 1.612 { ca gly a 142 B18.03 1JIR} 28.532 25.054 5.001 { ca asn a 143 B24.09 1JIR} 26.525 22.702 7.220 { ca thr a 144 B28.00 1JIR} 22.987 23.901 8.045 { ca lys a 145 B41.10 1JIR} 22.500 21.662 11.088 { ca ser a 146 B49.41 1JIR} 23.529 22.182 14.719 { ca ser a 147 B54.40 1JIR} 23.601 18.483 15.608 { ca gly a 148 B52.91 1JIR} 23.417 16.549 12.353 { ca thr a 149 B48.32 1JIR} 24.914 17.035 8.898 { ca ser a 150 B38.03 1JIR} 23.146 18.583 5.906 { ca tyr a 151 B31.34 1JIR} 25.028 20.448 3.184 { ca pro a 152 B27.56 1JIR} 23.070 22.794 0.867 { ca asp a 153 B28.05 1JIR} 23.180 23.084 -2.910 { ca val a 154 B23.71 1JIR} 22.594 26.857 -2.950 { ca leu a 155 B19.66 1JIR} 24.344 29.670 -1.078 { ca lys a 156 B19.71 1JIR} 22.981 30.378 2.391 { ca cys a 157 B22.45 1JIR} 23.044 33.761 4.181 { ca leu a 158 B21.04 1JIR} 22.990 35.022 7.756 { ca lys a 159 B23.60 1JIR} 22.650 38.468 9.307 { ca ala a 160 B18.13 1JIR} 24.559 38.646 12.595 { ca pro a 161 B18.02 1JIR} 25.910 41.349 14.908 { ca ile a 162 B20.35 1JIR} 29.520 41.786 16.020 { ca leu a 163 B20.88 1JIR} 29.656 41.100 19.758 { ca ser a 164 B19.63 1JIR} 31.593 43.124 22.326 { ca asp a 165 B25.07 1JIR} 35.051 41.814 23.198 { ca ser a 166 B24.03 1JIR} 34.055 41.322 26.834 { ca ser a 167 B21.65 1JIR} 31.257 38.913 25.886 { ca cys a 168 B20.87 1JIR} 33.514 37.223 23.344 { ca lys a 169 B20.99 1JIR} 36.359 36.655 25.835 { ca ser a 170 B22.30 1JIR} 33.791 35.493 28.411 { ca ala a 171 B25.14 1JIR} 32.519 32.826 26.010 { ca tyr a 172 B23.90 1JIR} 36.054 31.650 25.192 { ca pro a 173 B23.97 1JIR} 38.327 32.390 28.190 { ca gly a 174 B25.85 1JIR} 41.965 32.776 27.115 { ca gln a 175 B27.82 1JIR} 41.339 31.742 23.498 { ca ile a 176 B20.14 1JIR} 40.539 35.117 21.912 { ca thr a 177 B20.27 1JIR} 43.423 37.188 20.563 { ca ser a 178 B22.80 1JIR} 43.443 40.747 19.218 { ca asn a 179 B20.43 1JIR} 43.120 39.242 15.717 { ca met a 180 B19.43 1JIR} 39.751 37.666 16.413 { ca phe a 181 B20.44 1JIR} 36.230 38.835 17.132 { ca cys a 182 B18.72 1JIR} 32.937 37.177 17.920 { ca ala a 183 B18.24 1JIR} 29.719 37.627 15.965 { ca gly a 184a B20.83 1JIR} 26.379 35.897 16.260 { ca tyr a 184 B22.71 1JIR} 23.743 35.005 18.828 { ca leu a 185 B28.99 1JIR} 24.197 33.836 22.415 { ca glu a 186 B34.17 1JIR} 20.737 32.213 22.452 { ca gly a 187 B35.64 1JIR} 22.019 29.842 19.772 { ca gly a 188a B30.15 1JIR} 20.180 28.785 16.620 { ca lys a 188 B28.56 1JIR} 22.037 31.005 14.142 { ca asp a 189 B22.04 1JIR} 25.741 30.678 13.304 { ca ser a 190 B19.81 1JIR} 28.219 29.760 10.564 { ca cys a 191 B19.80 1JIR} 29.407 26.128 10.461 { ca gln a 192 B24.48 1JIR} 31.688 23.511 8.823 { ca gly a 193 B21.67 1JIR} 32.048 24.378 5.159 { ca asp a 194 B19.89 1JIR} 31.634 28.109 5.800 { ca ser a 195 B16.82 1JIR} 35.296 28.451 6.855 { ca gly a 196 B11.99 1JIR} 37.193 31.106 4.957 { ca gly a 197 B16.33 1JIR} 33.950 32.856 4.090 { ca pro a 198 B16.34 1JIR} 33.182 36.608 4.335 { ca val a 199 B17.53 1JIR} 31.623 38.610 7.151 { ca val a 200 B19.82 1JIR} 30.532 41.836 5.481 { ca cys a 201 B22.83 1JIR} 29.432 44.879 7.466 { ca ser a 202 B28.84 1JIR} 28.589 48.196 5.770 { ca gly a 203 B25.20 1JIR} 29.934 47.069 2.400 { ca lys a 204 B21.57 1JIR} 33.309 46.106 3.920 { ca leu a 209 B18.20 1JIR} 35.028 42.776 4.600 { ca gln a 210 B19.06 1JIR} 35.464 42.803 8.385 { ca gly a 211 B16.72 1JIR} 35.803 39.097 9.090 { ca ile a 212 B13.84 1JIR} 36.658 35.622 7.829 { ca val a 213 B12.44 1JIR} 34.832 32.546 9.131 { ca ser a 214 B17.33 1JIR} 37.459 30.936 11.357 { ca trp a 215 B20.48 1JIR} 36.239 28.813 14.285 { ca gly a 216 B24.04 1JIR} 33.889 28.175 17.172 { ca ser a 217 B27.90 1JIR} 32.781 25.488 19.611 { ca gly a 219 B27.14 1JIR} 30.236 23.478 17.667 { ca cys a 220 B24.82 1JIR} 27.585 25.312 15.660 { ca ala a 221a B23.86 1JIR} 24.694 27.510 16.812 { ca gln a 221 B30.73 1JIR} 25.186 26.403 20.424 { ca lys a 222 B32.56 1JIR} 24.145 28.837 23.168 { ca asn a 223 B30.02 1JIR} 26.929 30.924 24.725 { ca lys a 224 B27.75 1JIR} 29.310 29.756 22.009 { ca pro a 225 B22.66 1JIR} 29.207 32.379 19.238 { ca gly a 226 B17.17 1JIR} 31.278 32.189 16.072 { ca val a 227 B16.07 1JIR} 34.850 33.463 16.060 { ca tyr a 228 B15.00 1JIR} 36.118 35.321 13.026 { ca thr a 229 B19.37 1JIR} 39.439 36.650 11.794 { ca lys a 230 B21.27 1JIR} 39.693 40.417 12.402 { ca val a 231 B18.31 1JIR} 40.441 41.582 8.851 { ca cys a 232 B22.02 1JIR} 41.009 45.220 9.864 { ca asn a 233 B19.58 1JIR} 44.272 44.130 11.560 { ca tyr a 234 B18.47 1JIR} 45.621 42.790 8.250 { ca val a 235 B17.95 1JIR} 44.854 45.522 5.714 { ca ser a 236 B25.52 1JIR} 48.503 46.629 5.512 { ca trp a 237 B24.26 1JIR} 49.807 43.056 5.272 { ca ile a 238 B18.90 1JIR} 47.300 42.166 2.541 { ca lys a 239 B21.00 1JIR} 48.214 45.248 0.501 { ca gln a 240 B20.43 1JIR} 51.964 44.731 0.976 { ca thr a 241 B21.33 1JIR} 51.827 41.021 0.113 { ca ile a 242 B24.56 1JIR} 49.756 41.618 -3.031 { ca ala a 243 B26.05 1JIR} 52.116 44.400 -4.182 { ca ser a 244 B27.29 1JIR} 55.182 42.158 -4.020 { ca asn a 245 B32.18 1JIR} 53.550 39.150 -5.741 @subgroup {sidechain} @balllist {O} color= red radius= 0.150 { oe1 gln a 64 B23.57 1JIR} 37.159 23.705 -10.519 @balllist {N} color= sky radius= 0.150 { ne2 gln a 64 B13.31 1JIR} 38.723 23.984 -12.097 @vectorlist {sc} color= sky master= {sidechain} { ca gln a 64 B19.00 1JIR}P 40.243 25.620 -7.969 { cb gln a 64 B18.15 1JIR} 39.571 24.610 -8.883 { cg gln a 64 B18.69 1JIR} 38.940 25.266 -10.099 { cd gln a 64 B21.96 1JIR} 38.258 24.264 -10.995 { oe1 gln a 64 B23.57 1JIR} 37.159 23.705 -10.519 { cd gln a 64 B21.96 1JIR}P 38.258 24.264 -10.995 { ne2 gln a 64 B13.31 1JIR} 38.723 23.984 -12.097 { ca glu a 70 B16.02 1JIR}P 28.307 30.204 -7.891 { cb glu a 70 B17.54 1JIR} 29.197 29.287 -7.048 { cg glu a 70 B20.60 1JIR} 30.291 28.548 -7.812 { cd glu a 70 B22.56 1JIR} 29.750 27.365 -8.591 { oe1 glu a 70 B17.80 1JIR} 28.519 27.278 -8.750 { cd glu a 70 B22.56 1JIR}P 29.750 27.365 -8.591 { oe2 glu a 70 B25.18 1JIR} 30.549 26.511 -9.026 @balllist {water O} color= peachtint master= {water} radius= 0.150 { o hoh 305 1.00B18.30 1jirH} 30.9 24.1 -7.45 @subgroup {Arg 66} @vectorlist {mc} color= peachtint width= 3 { ca val a 65 B17.72 1jirH}P 38.421 28.850 -7.141 { c val a 65 B16.91 1jirH} 37.231 28.953 -8.079 { o val a 65 B18.46 1jirH} 37.397 29.144 -9.282 { c val a 65 B16.91 1jirH}P 37.231 28.953 -8.079 { n arg a 66 B18.63 1jirH} 36.032 28.783 -7.529 { ca arg a 66 B19.10 1jirH} 34.809 28.842 -8.322 { c arg a 66 B19.54 1jirH} 34.035 30.087 -7.863 { o arg a 66 B19.19 1jirH} 33.647 30.203 -6.696 { c arg a 66 B19.54 1jirH}P 34.035 30.087 -7.863 { n leu a 67 B19.70 1jirH} 33.866 31.028 -8.789 { ca leu a 67 B20.18 1jirH} 33.166 32.292 -8.538 @vectorlist {mc H} color= gray { n arg a 66 B18.63 1jirH}P 36.032 28.783 -7.529 { h arg a 66 B18.63 1jirH} 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31 B6.54 1S83H} 33.466 30.724 -1.867 { c val a 31 B4.98 1S83H}P 33.531 30.774 -3.070 { n ser a 32 B6.62 1S83H} 33.538 29.706 -3.858 { ca ser a 32 B6.72 1S83H} 33.648 28.335 -3.372 { c ser a 32 B6.62 1S83H} 35.082 27.876 -3.716 { o ser a 32 B8.73 1S83H} 35.453 27.950 -4.869 { c ser a 32 B6.62 1S83H}P 35.082 27.876 -3.716 { n leu a 33 B6.68 1S83H} 35.770 27.333 -2.733 { ca leu a 33 B7.34 1S83H} 37.060 26.690 -2.957 { c leu a 33 B7.30 1S83H} 36.798 25.193 -3.104 { o leu a 33 B8.42 1S83H} 36.137 24.608 -2.251 { c leu a 33 B7.30 1S83H}P 36.798 25.193 -3.104 { n asn a 34 B7.50 1S83H} 37.274 24.620 -4.206 { ca asn a 34 B9.27 1S83H} 36.942 23.279 -4.634 { c asn a 34 B9.33 1S83H} 38.210 22.453 -4.815 { o asn a 34 B10.80 1S83H} 39.142 22.890 -5.482 { c asn a 34 B9.33 1S83H}P 38.210 22.453 -4.815 { n ser a 37 B11.71 1S83H} 38.209 21.242 -4.248 { ca ser a 37 B15.84 1S83H} 39.316 20.279 -4.381 { c ser a 37 B18.03 1S83H} 38.844 18.890 -4.860 { o ser a 37 B23.68 1S83H} 39.341 17.843 -4.421 { c ser a 37 B18.03 1S83H}P 38.844 18.890 -4.860 { n gly a 38 B16.08 1S83H} 37.858 18.876 -5.754 { ca gly a 38 B14.59 1S83H} 37.037 17.730 -6.120 { c gly a 38 B15.43 1S83H} 35.612 17.948 -5.634 { o gly a 38 B19.81 1S83H} 34.671 17.518 -6.287 { c gly a 38 B15.43 1S83H}P 35.612 17.948 -5.634 { n ser a 39 B12.77 1S83H} 35.458 18.647 -4.510 { ca ser a 39 B11.76 1S83H} 34.176 19.065 -3.931 { c ser a 39 B10.42 1S83H} 34.402 20.415 -3.261 { o ser a 39 B10.59 1S83H} 35.534 20.790 -2.954 { c ser a 39 B10.42 1S83H}P 34.402 20.415 -3.261 { n his a 40 B10.21 1S83H} 33.339 21.150 -2.959 { ca his a 40 B8.80 1S83H} 33.425 22.341 -2.129 { c his a 40 B9.15 1S83H} 34.020 21.957 -0.802 { o his a 40 B10.86 1S83H} 33.579 21.012 -0.150 { c his a 40 B9.15 1S83H}P 34.020 21.957 -0.802 { n phe a 41 B9.01 1S83H} 34.985 22.755 -0.305 { ca phe a 41 B8.46 1S83H} 35.532 22.537 1.031 { ca ile a 63 B9.30 1S83H}P 42.580 24.645 -5.177 { c ile a 63 B10.16 1S83H} 42.101 25.160 -6.510 { o ile a 63 B11.31 1S83H} 42.798 25.922 -7.186 { c ile a 63 B10.16 1S83H}P 42.101 25.160 -6.510 { n gln a 64 B10.46 1S83H} 40.818 24.872 -6.825 { ca gln a 64 B9.52 1S83H} 40.117 25.543 -7.892 { c gln a 64 B9.31 1S83H} 39.135 26.508 -7.252 { o gln a 64 B11.31 1S83H} 38.343 26.140 -6.375 { c gln a 64 B9.31 1S83H}P 39.135 26.508 -7.252 { n val a 65 B8.20 1S83H} 39.194 27.758 -7.671 { ca val a 65 B8.97 1S83H} 38.309 28.819 -7.197 { c val a 65 B7.76 1S83H} 37.096 28.852 -8.136 { o val a 65 B8.98 1S83H} 37.222 28.993 -9.346 { c val a 65 B7.76 1S83H}P 37.096 28.852 -8.136 { n arg a 66 B7.80 1S83H} 35.894 28.801 -7.551 { ca arg a 66 B8.19 1S83H} 34.637 28.856 -8.304 { c arg a 66 B6.78 1S83H} 33.919 30.146 -7.911 { o arg a 66 B8.26 1S83H} 33.434 30.269 -6.790 { c arg a 66 B6.78 1S83H}P 33.919 30.146 -7.911 { n leu a 67 B7.62 1S83H} 33.875 31.071 -8.850 { ca leu a 67 B7.97 1S83H} 33.246 32.377 -8.716 { c leu a 67 B7.62 1S83H} 31.861 32.345 -9.392 { o leu a 67 B9.13 1S83H} 31.652 31.547 -10.299 { c leu a 67 B7.62 1S83H}P 31.861 32.345 -9.392 { n gly a 69 B9.07 1S83H} 31.019 33.311 -9.032 { ca gly a 69 B8.74 1S83H} 29.693 33.472 -9.657 { c gly a 69 B8.96 1S83H} 28.733 32.303 -9.386 { o gly a 69 B11.09 1S83H} 27.849 32.099 -10.210 { c gly a 69 B8.96 1S83H}P 28.733 32.303 -9.386 { n glu a 70 B8.76 1S83H} 28.958 31.510 -8.346 { ca glu a 70 B10.08 1S83H} 28.134 30.353 -8.002 { c glu a 70 B9.28 1S83H} 26.920 30.796 -7.215 { o glu a 70 B9.72 1S83H} 26.961 31.665 -6.361 { c glu a 70 B9.28 1S83H}P 26.920 30.796 -7.215 { n his a 71 B10.26 1S83H} 25.812 30.081 -7.466 { ca his a 71 B9.82 1S83H} 24.720 29.991 -6.513 { c his a 71 B9.11 1S83H} 24.527 28.536 -6.128 { o his a 71 B11.00 1S83H} 24.721 28.173 -4.979 { c his a 71 B9.11 1S83H}P 24.527 28.536 -6.128 { n asn a 72 B10.07 1S83H} 24.117 27.710 -7.091 { ca asn a 72 B9.87 1S83H} 24.035 26.269 -6.955 { c asn a 72 B9.25 1S83H} 25.423 25.677 -7.280 { o asn a 72 B10.84 1S83H} 25.748 25.552 -8.445 { c asn a 72 B9.25 1S83H}P 25.423 25.677 -7.280 { n ile a 73 B10.48 1S83H} 26.120 25.199 -6.254 { ca ile a 73 B10.99 1S83H} 27.451 24.624 -6.522 { c ile a 73 B12.82 1S83H} 27.357 23.232 -7.146 { o ile a 73 B12.18 1S83H} 28.390 22.702 -7.546 { c ile a 73 B12.82 1S83H}P 27.357 23.232 -7.146 { n asp a 74 B12.47 1S83H} 26.146 22.647 -7.266 { ca asp a 74 B13.00 1S83H} 25.947 21.331 -7.871 { c asp a 74 B12.28 1S83H} 25.422 21.429 -9.286 { o asp a 74 B15.27 1S83H} 25.314 20.396 -9.955 { c asp a 74 B12.28 1S83H}P 25.422 21.429 -9.286 { n val a 75 B11.22 1S83H} 25.108 22.625 -9.798 { ca val a 75 B11.99 1S83H} 24.588 22.827 -11.126 { c val a 75 B12.60 1S83H} 25.300 23.996 -11.796 { o val a 75 B12.12 1S83H} 25.394 25.085 -11.218 { c val a 75 B12.60 1S83H}P 25.300 23.996 -11.796 { n leu a 76 B14.40 1S83H} 25.699 23.769 -13.033 { ca leu a 76 B18.89 1S83H} 26.296 24.769 -13.886 { c leu a 76 B19.71 1S83H} 25.147 25.632 -14.459 { o leu a 76 B22.94 1S83H} 24.427 25.183 -15.357 { c leu a 76 B19.71 1S83H}P 'a' 25.147 25.632 -14.459 { n aglu a 77 0.70 B17.95 1S83H}'a' 24.937 26.825 -13.892 { c leu a 76 B19.71 1S83H}P 'b' 25.147 25.632 -14.459 { n bglu a 77 0.30 B21.15 1S83H}'b' 24.953 26.831 -13.891 { n aglu a 77 0.70 B17.95 1S83H}P 'a' 24.937 26.825 -13.892 { ca aglu a 77 0.70 B19.02 1S83H}'a' 23.799 27.685 -14.202 { n bglu a 77 0.30 B21.15 1S83H}P 'b' 24.953 26.831 -13.891 { ca bglu a 77 0.30 B22.15 1S83H}'b' 23.834 27.751 -14.111 { ca aglu a 77 0.70 B19.02 1S83H}P 'a' 23.799 27.685 -14.202 { c aglu a 77 0.70 B21.96 1S83H}'a' 24.135 28.784 -15.209 { ca bglu a 77 0.30 B22.15 1S83H}P 'b' 23.834 27.751 -14.111 { c bglu a 77 0.30 B23.36 1S83H}'b' 24.151 28.854 -15.130 { c aglu a 77 0.70 B21.96 1S83H}P 'a' 24.135 28.784 -15.209 { o aglu a 77 0.70 B24.20 1S83H}'a' 23.204 29.404 -15.715 { c bglu a 77 0.30 B23.36 1S83H}P 'b' 24.151 28.854 -15.130 { o bglu a 77 0.30 B23.89 1S83H}'b' 23.236 29.581 -15.517 { c aglu a 77 0.70 B21.96 1S83H}P 24.135 28.784 -15.209 { n gly a 78 B22.86 1S83H} 25.419 28.993 -15.553 { ca gly a 78 B23.87 1S83H} 25.851 29.898 -16.620 { c gly a 78 B24.13 1S83H} 26.877 30.951 -16.193 { o gly a 78 B28.01 1S83H} 27.780 31.249 -16.977 { c bglu a 77 0.30 B23.36 1S83H}P 24.151 28.854 -15.130 { n gly a 78 B22.86 1S83H} 25.419 28.993 -15.553 { c gly a 78 B24.13 1S83H}P 26.877 30.951 -16.193 { n asn a 79 B20.74 1S83H} 26.720 31.507 -14.989 { ca asn a 79 B20.14 1S83H} 27.446 32.662 -14.474 { c asn a 79 B15.77 1S83H} 28.771 32.313 -13.783 { o asn a 79 B16.00 1S83H} 29.472 33.212 -13.306 { c asn a 79 B15.77 1S83H}P 28.771 32.313 -13.783 { n glu a 80 B12.38 1S83H} 29.078 31.027 -13.660 { ca glu a 80 B10.68 1S83H} 30.262 30.591 -12.993 { c glu a 80 B10.62 1S83H} 31.499 30.983 -13.799 { o glu a 80 B10.91 1S83H} 31.490 30.970 -15.022 { c glu a 80 B10.62 1S83H}P 31.499 30.983 -13.799 { n gln a 81 B10.05 1S83H} 32.602 31.228 -13.054 { ca gln a 81 B9.54 1S83H} 33.968 31.263 -13.589 { c gln a 81 B8.52 1S83H} 34.775 30.318 -12.722 { o gln a 81 B9.76 1S83H} 34.807 30.505 -11.515 { c gln a 81 B8.52 1S83H}P 34.775 30.318 -12.722 { n phe a 82 B9.80 1S83H} 35.371 29.296 -13.328 { ca phe a 82 B9.23 1S83H} 36.224 28.369 -12.604 { c phe a 82 B9.84 1S83H} 37.675 28.687 -12.963 { o phe a 82 B11.69 1S83H} 38.043 28.632 -14.137 { c phe a 82 B9.84 1S83H}P 37.675 28.687 -12.963 { n ile a 83 B9.15 1S83H} 38.468 29.025 -11.943 { ca ile a 83 B9.22 1S83H} 39.835 29.484 -12.186 { c ile a 83 B9.37 1S83H} 40.713 28.830 -11.132 { o ile a 83 B9.55 1S83H} 40.473 28.941 -9.934 { c ile a 83 B9.37 1S83H}P 40.713 28.830 -11.132 { n asn a 84 B10.67 1S83H} 41.796 28.167 -11.570 { ca asn a 84 B11.87 1S83H} 42.714 27.513 -10.637 { c ser a 122 B8.02 1S83H}P 36.719 45.661 1.129 @vectorlist {mc H} color= gray nobutton master= {mainchain} master= {H's} { n ser a 32 B6.62 1S83H}P 33.538 29.706 -3.858 { h ser a 32 B6.62 1S83H} 33.576 29.844 -4.848 { ca ser a 32 B6.72 1S83H}P 33.648 28.335 -3.372 { ha ser a 32 B6.72 1S83H} 33.510 28.292 -2.282 { n leu a 33 B6.68 1S83H}P 35.770 27.333 -2.733 { h leu a 33 B6.68 1S83H} 35.392 27.277 -1.809 { ca leu a 33 B7.34 1S83H}P 37.060 26.690 -2.957 { ha leu a 33 B7.34 1S83H} 37.492 27.074 -3.893 { n asn a 34 B7.50 1S83H}P 37.274 24.620 -4.206 { h asn a 34 B7.50 1S83H} 37.770 25.188 -4.863 { ca asn a 34 B9.27 1S83H}P 36.942 23.279 -4.634 { ha asn a 34 B9.27 1S83H} 36.312 22.803 -3.868 { n ser a 37 B11.71 1S83H}P 38.209 21.242 -4.248 { h ser a 37 B11.71 1S83H} 37.425 20.959 -3.696 { ca ser a 37 B15.84 1S83H}P 39.316 20.279 -4.381 { ha ser a 37 B15.84 1S83H} 39.994 20.655 -5.162 { n gly a 38 B16.08 1S83H}P 37.858 18.876 -5.754 { h gly a 38 B16.08 1S83H} 37.545 19.758 -6.106 { ca gly a 38 B14.59 1S83H}P 37.037 17.730 -6.120 {1ha gly a 38 B14.59 1S83H} 37.041 17.621 -7.215 { n ser a 39 B12.77 1S83H}P 35.458 18.647 -4.510 { h ser a 39 B12.77 1S83H} 36.279 18.954 -4.028 { ca ser a 39 B11.76 1S83H}P 34.176 19.065 -3.931 { ha ser a 39 B11.76 1S83H} 33.412 19.168 -4.715 { n his a 40 B10.21 1S83H}P 33.339 21.150 -2.959 { h his a 40 B10.21 1S83H} 32.428 20.834 -3.224 { ca his a 40 B8.80 1S83H}P 33.425 22.341 -2.129 { ha his a 40 B8.80 1S83H} 34.024 23.111 -2.637 { n phe a 41 B9.01 1S83H}P 34.985 22.755 -0.305 { h phe a 41 B9.01 1S83H} 35.320 23.520 -0.854 { n gln a 64 B10.46 1S83H}P 40.818 24.872 -6.825 { h gln a 64 B10.46 1S83H} 40.291 24.287 -6.209 { ca gln a 64 B9.52 1S83H}P 40.117 25.543 -7.892 { ha gln a 64 B9.52 1S83H} 40.814 26.109 -8.528 { n val a 65 B8.20 1S83H}P 39.194 27.758 -7.671 { h val a 65 B8.20 1S83H} 39.807 27.983 -8.429 { ca val a 65 B8.97 1S83H}P 38.309 28.819 -7.197 { ha val a 65 B8.97 1S83H} 37.968 28.575 -6.180 { n arg a 66 B7.80 1S83H}P 35.894 28.801 -7.551 { h arg a 66 B7.80 1S83H} 35.835 28.701 -6.558 { ca arg a 66 B8.19 1S83H}P 34.637 28.856 -8.304 { ha arg a 66 B8.19 1S83H} 34.843 28.891 -9.384 { n leu a 67 B7.62 1S83H}P 33.875 31.071 -8.850 { h leu a 67 B7.62 1S83H} 34.259 30.844 -9.745 { ca leu a 67 B7.97 1S83H}P 33.246 32.377 -8.716 { ha leu a 67 B7.97 1S83H} 33.111 32.633 -7.655 { n gly a 69 B9.07 1S83H}P 31.019 33.311 -9.032 { h gly a 69 B9.07 1S83H} 31.260 33.940 -8.293 { ca gly a 69 B8.74 1S83H}P 29.693 33.472 -9.657 {1ha gly a 69 B8.74 1S83H} 29.238 34.393 -9.264 { n glu a 70 B8.76 1S83H}P 28.958 31.510 -8.346 { h glu a 70 B8.76 1S83H} 29.721 31.713 -7.732 { ca glu a 70 B10.08 1S83H}P 28.134 30.353 -8.002 { ha glu a 70 B10.08 1S83H} 27.809 29.881 -8.941 { n his a 71 B10.26 1S83H}P 25.812 30.081 -7.466 { h his a 71 B10.26 1S83H} 25.827 29.423 -8.219 { ca his a 71 B9.82 1S83H}P 24.720 29.991 -6.513 { ha his a 71 B9.82 1S83H} 25.019 30.511 -5.591 { n asn a 72 B10.07 1S83H}P 24.117 27.710 -7.091 { h asn a 72 B10.07 1S83H} 23.946 28.077 -8.005 { ca asn a 72 B9.87 1S83H}P 24.035 26.269 -6.955 { ha asn a 72 B9.87 1S83H} 23.737 26.033 -5.923 { n ile a 73 B10.48 1S83H}P 26.120 25.199 -6.254 { h ile a 73 B10.48 1S83H} 25.810 25.280 -5.307 { ca ile a 73 B10.99 1S83H}P 27.451 24.624 -6.522 { ha ile a 73 B10.99 1S83H} 27.965 25.259 -7.259 { n asp a 74 B12.47 1S83H}P 26.146 22.647 -7.266 { h asp a 74 B12.47 1S83H} 25.346 23.138 -6.922 { ca asp a 74 B13.00 1S83H}P 25.947 21.331 -7.871 { ha asp a 74 B13.00 1S83H} 26.914 20.810 -7.932 { n val a 75 B11.22 1S83H}P 25.108 22.625 -9.798 { h val a 75 B11.22 1S83H} 25.178 23.435 -9.216 { ca val a 75 B11.99 1S83H}P 24.588 22.827 -11.126 { ha val a 75 B11.99 1S83H} 24.794 21.928 -11.726 { n leu a 76 B14.40 1S83H}P 25.699 23.769 -13.033 { h leu a 76 B14.40 1S83H} 25.584 22.856 -13.425 { ca leu a 76 B18.89 1S83H}P 26.296 24.769 -13.886 { ha leu a 76 B18.89 1S83H} 26.934 25.385 -13.235 { n aglu a 77 0.70 B17.95 1S83H}P 'a' 24.937 26.825 -13.892 { h aglu a 77 0.70 B17.95 1S83H}'a' 25.540 27.122 -13.152 { n bglu a 77 0.30 B21.15 1S83H}P 'b' 24.953 26.831 -13.891 { h bglu a 77 0.30 B21.15 1S83H}'b' 25.589 27.105 -13.169 { ca aglu a 77 0.70 B19.02 1S83H}P 'a' 23.799 27.685 -14.202 { ha aglu a 77 0.70 B19.02 1S83H}'a' 23.012 27.066 -14.658 { ca bglu a 77 0.30 B22.15 1S83H}P 'b' 23.834 27.751 -14.111 { ha bglu a 77 0.30 B22.15 1S83H}'b' 22.954 27.187 -14.453 { n gly a 78 B22.86 1S83H}P 25.419 28.993 -15.553 { h gly a 78 B22.86 1S83H} 26.130 28.414 -15.154 { ca gly a 78 B23.87 1S83H}P 25.851 29.898 -16.620 {1ha gly a 78 B23.87 1S83H} 26.280 29.290 -17.430 { n asn a 79 B20.74 1S83H}P 26.720 31.507 -14.989 { h asn a 79 B20.74 1S83H} 25.980 31.172 -14.406 { ca asn a 79 B20.14 1S83H}P 27.446 32.662 -14.474 { ha asn a 79 B20.14 1S83H} 27.668 33.352 -15.302 { n glu a 80 B12.38 1S83H}P 29.078 31.027 -13.660 { h glu a 80 B12.38 1S83H} 28.499 30.329 -14.081 { ca glu a 80 B10.68 1S83H}P 30.262 30.591 -12.993 { ha glu a 80 B10.68 1S83H} 30.263 31.083 -12.009 { n gln a 81 B10.05 1S83H}P 32.602 31.228 -13.054 { h gln a 81 B10.05 1S83H} 32.521 31.235 -12.057 { ca gln a 81 B9.54 1S83H}P 33.968 31.263 -13.589 { ha gln a 81 B9.54 1S83H} 33.974 30.888 -14.623 { n phe a 82 B9.80 1S83H}P 35.371 29.296 -13.328 { h phe a 82 B9.80 1S83H} 35.274 29.181 -14.317 { ca phe a 82 B9.23 1S83H}P 36.224 28.369 -12.604 { ha phe a 82 B9.23 1S83H} 36.100 28.472 -11.516 { n ile a 83 B9.15 1S83H}P 38.468 29.025 -11.943 { h ile a 83 B9.15 1S83H} 38.120 29.056 -11.006 { ca ile a 83 B9.22 1S83H}P 39.835 29.484 -12.186 { ha ile a 83 B9.22 1S83H} 40.166 29.175 -13.189 { n asn a 84 B10.67 1S83H}P 41.796 28.167 -11.570 { h asn a 84 B10.67 1S83H} 41.990 28.127 -12.550 @vectorlist {Calphas} color= white master= {Calphas} { ca ile a 16 B8.20 1S83H}P 25.267 28.253 7.927 { ca ile a 16 B8.20 1S83H} 25.267 28.253 7.927 { ca val a 17 B9.45 1S83H} 22.833 27.153 10.675 { ca gly a 18 B10.50 1S83H} 19.706 29.250 11.193 { ca gly a 19 B9.09 1S83H} 20.176 31.237 8.007 { ca tyr a 20 B9.26 1S83H} 18.174 31.632 4.806 { ca thr a 21 B10.27 1S83H} 18.939 31.010 1.163 { ca cys a 22 B10.13 1S83H} 20.588 34.047 -0.391 { ca ala a 23 B12.29 1S83H} 19.123 35.523 -3.555 { ca ala a 24 B11.67 1S83H} 21.126 34.079 -6.499 { ca asn a 25 B10.85 1S83H} 24.403 36.015 -7.037 { ca ser a 26 B9.17 1S83H} 23.454 38.611 -4.400 { ca ile a 27 B7.54 1S83H} 26.834 37.911 -2.683 { ca pro a 28 B7.84 1S83H} 28.995 38.439 -5.762 { ca tyr a 29 B6.15 1S83H} 32.315 38.376 -3.854 { ca gln a 30 B6.71 1S83H} 31.601 34.925 -2.361 { ca val a 31 B6.60 1S83H} 33.649 32.091 -3.842 { ca phe a 41 B8.46 1S83H}P 35.532 22.537 1.031 { ca cys a 42 B7.61 1S83H} 35.712 26.222 2.079 { ca gly a 43 B6.34 1S83H} 34.571 29.714 1.238 { ca gly a 44 B7.15 1S83H} 36.552 32.804 0.333 { ca ser a 45 B6.84 1S83H} 36.062 36.429 -0.750 { ca leu a 46 B7.73 1S83H} 37.188 38.105 -3.969 { ca ile a 47 B8.70 1S83H} 39.090 41.271 -2.939 { ca asn a 48 B10.50 1S83H} 40.931 42.002 -6.239 { ca ser a 49 B11.20 1S83H} 40.447 40.729 -9.789 { ca gln a 50 B9.51 1S83H} 43.381 38.338 -9.151 { ca trp a 51 B7.84 1S83H} 43.080 37.604 -5.411 { ca val a 52 B6.85 1S83H} 40.805 35.748 -3.005 { ca val a 53 B7.35 1S83H} 41.167 35.912 0.768 { ca ser a 54 B6.65 1S83H} 40.252 32.876 2.914 { ca ala a 55 B6.05 1S83H} 41.292 31.132 6.143 { ca ala a 56 B7.96 1S83H} 44.723 29.526 6.640 { ca his a 57 B8.21 1S83H} 43.080 26.476 8.244 { ca cys a 58 B9.42 1S83H} 41.518 25.861 4.832 { ca tyr a 59 B10.16 1S83H} 44.933 25.398 3.143 { ca lys a 60 B10.12 1S83H} 45.257 22.748 0.457 { ca ser a 61 B13.70 1S83H} 48.174 22.641 -2.016 { ca arg a 62 B18.23 1S83H} 45.792 22.589 -5.044 { ca ile a 63 B9.30 1S83H} 42.580 24.645 -5.177 { ca asn a 84 B11.87 1S83H}P 42.714 27.513 -10.637 { ca ala a 85 B11.01 1S83H} 44.834 28.938 -7.846 { ca ala a 86 B11.47 1S83H} 48.328 29.893 -9.043 { ca lys a 87 B12.55 1S83H} 49.703 30.889 -5.579 { ca ile a 88 B10.90 1S83H} 48.425 30.015 -2.116 { ca ile a 89 B10.31 1S83H} 50.005 32.073 0.704 { ca thr a 90 B10.56 1S83H} 49.159 31.460 4.338 { ca his a 91 B8.80 1S83H} 49.860 34.151 6.905 { ca pro a 92 B11.80 1S83H} 53.491 33.645 8.111 { ca asn a 93 B10.57 1S83H} 52.328 33.829 11.749 { ca phe a 94 B7.93 1S83H} 49.348 31.502 11.446 { ca asn a 95 B9.78 1S83H} 49.166 29.316 14.576 { ca gly a 96 B10.48 1S83H} 47.083 26.134 14.045 { ca asn a 97 B10.48 1S83H} 46.572 25.700 17.822 { ca thr a 98 B10.96 1S83H} 45.323 29.143 18.812 { ca leu a 99 B8.39 1S83H} 44.046 29.938 15.287 { ca asp a 100 B8.53 1S83H} 45.705 33.372 15.554 { ca asn a 101 B7.25 1S83H} 46.288 34.923 12.107 { ca asp a 102 B8.02 1S83H} 43.863 32.548 10.387 { ca ile a 103 B6.85 1S83H} 44.147 34.145 6.981 { ca met a 104 B7.80 1S83H} 45.347 33.063 3.549 { ca leu a 105 B6.04 1S83H} 45.598 34.662 0.127 { ca ile a 106 B6.82 1S83H} 45.014 32.878 -3.170 { ca lys a 107 B7.29 1S83H} 46.226 34.319 -6.476 { ca leu a 108 B9.67 1S83H} 44.099 33.314 -9.465 { ca ser a 109 B11.10 1S83H} 45.849 31.855 -12.530 { ca ser a 110 B12.16 1S83H} 43.912 34.415 -14.610 { ca pro a 111 B11.41 1S83H} 41.954 37.477 -13.465 { ca ala a 112 B11.05 1S83H} 38.288 37.083 -12.599 { ca thr a 113 B10.80 1S83H} 36.096 38.971 -15.017 { ca leu a 114 B11.77 1S83H} 34.158 41.476 -12.931 { ca asn a 115 B14.35 1S83H} 30.451 41.962 -13.606 { ca ser a 116 B16.47 1S83H} 27.220 42.103 -11.602 { ca arg a 117 B16.47 1S83H} 27.556 38.457 -10.441 { ca val a 118 B8.97 1S83H} 31.364 38.412 -9.840 { ca ala a 119 B8.34 1S83H} 32.576 41.460 -7.911 { ca thr a 120 B8.76 1S83H} 35.163 42.477 -5.377 { ca val a 121 B7.64 1S83H} 34.335 43.386 -1.789 { ca ser a 122 B8.96 1S83H} 36.129 46.310 -0.108 { ca leu a 123 B7.17 1S83H} 38.655 45.690 2.619 { ca pro a 124 B7.76 1S83H} 37.932 47.521 5.881 { ca arg a 125 B9.06 1S83H} 38.452 51.288 6.134 { ca ser a 127 B8.66 1S83H} 38.380 50.854 9.938 { ca cys a 128 B8.85 1S83H} 37.442 48.212 12.465 { ca ala a 129 B9.17 1S83H} 33.718 47.801 13.085 { ca ala a 130 B9.60 1S83H} 31.808 49.057 16.149 { ca ala a 132 B11.25 1S83H} 30.177 46.507 18.464 { ca gly a 133 B10.51 1S83H} 26.609 45.906 17.351 { ca thr a 134 B10.92 1S83H} 27.383 46.529 13.641 { ca glu a 135 B11.22 1S83H} 25.129 44.398 11.437 { ca cys a 136 B9.90 1S83H} 26.905 41.940 9.139 { ca leu a 137 B8.04 1S83H} 26.110 39.340 6.486 { ca ile a 138 B7.07 1S83H} 27.802 35.895 6.785 { ca ser a 139 B7.23 1S83H} 27.488 33.467 3.871 { ca gly a 140 B8.52 1S83H} 28.581 30.035 2.684 { ca trp a 141 B8.17 1S83H} 27.840 26.470 1.582 { ca gly a 142 B9.50 1S83H} 28.741 24.923 4.922 { ca asn a 143 B12.56 1S83H} 26.699 22.604 7.129 { ca thr a 144 B15.70 1S83H} 23.094 23.759 7.707 { ca lys a 145 B26.74 1S83H} 22.067 21.268 10.418 { ca ser a 146 B31.45 1S83H} 22.665 21.878 14.164 { ca ser a 147 B37.02 1S83H} 22.512 18.052 14.614 { ca gly a 148 B40.15 1S83H} 24.072 15.893 11.965 { ca ser a 149 B33.76 1S83H} 24.890 17.071 8.543 { ca aser a 150 0.50 B27.95 1S83H}'a' 23.240 18.708 5.514 { ca ser a 149 B33.76 1S83H}P 'b' 24.890 17.071 8.543 { ca bser a 150 0.50 B26.05 1S83H}'b' 23.480 18.690 5.404 { ca aser a 150 0.50 B27.95 1S83H}P 'a' 23.240 18.708 5.514 { ca atyr a 151 0.50 B21.55 1S83H}'a' 25.412 20.439 2.886 { ca bser a 150 0.50 B26.05 1S83H}P 'b' 23.480 18.690 5.404 { ca btyr a 151 0.50 B22.83 1S83H}'b' 25.715 20.565 2.911 { ca atyr a 151 0.50 B21.55 1S83H}P 25.412 20.439 2.886 { ca pro a 152 B11.77 1S83H} 23.371 22.759 0.719 { ca btyr a 151 0.50 B22.83 1S83H}P 25.715 20.565 2.911 { ca pro a 152 B11.77 1S83H} 23.371 22.759 0.719 { ca ser a 153 B11.56 1S83H} 23.432 23.238 -3.016 { ca leu a 154 B9.43 1S83H} 22.396 26.900 -2.656 { ca leu a 155 B8.81 1S83H} 24.386 29.651 -0.966 { ca gln a 156 B8.43 1S83H} 23.134 30.399 2.562 { ca cys a 157 B7.25 1S83H} 23.123 33.806 4.294 { ca leu a 158 B8.04 1S83H} 22.877 34.939 7.917 { ca lys a 159 B8.35 1S83H} 22.468 38.444 9.354 { ca ala a 160 B9.96 1S83H} 24.422 38.765 12.573 { ca pro a 161 B8.80 1S83H} 25.929 41.507 14.713 { ca val a 162 B9.69 1S83H} 29.525 42.081 15.828 { ca leu a 163 B13.40 1S83H} 29.410 41.040 19.508 { ca aser a 164 0.50 B24.66 1S83H}'a' 30.613 43.019 22.518 { ca leu a 163 B13.40 1S83H}P 'b' 29.410 41.040 19.508 { ca bser a 164 0.50 B23.98 1S83H}'b' 30.693 42.982 22.510 { ca aser a 164 0.50 B24.66 1S83H}P 'a' 30.613 43.019 22.518 { ca aasp a 165 0.50 B38.50 1S83H}'a' 34.121 42.173 23.783 { ca bser a 164 0.50 B23.98 1S83H}P 'b' 30.693 42.982 22.510 { ca basp a 165 0.50 B35.90 1S83H}'b' 34.208 42.374 23.897 { ca aasp a 165 0.50 B38.50 1S83H}P 34.121 42.173 23.783 { ca ser a 166 B39.28 1S83H} 32.484 41.169 27.076 { ca basp a 165 0.50 B35.90 1S83H}P 34.208 42.374 23.897 { ca ser a 166 B39.28 1S83H} 32.484 41.169 27.076 { ca ser a 167 B25.98 1S83H} 30.344 38.618 25.135 { ca cys a 168 B18.09 1S83H} 33.242 37.351 22.949 { ca lys a 169 B16.39 1S83H} 36.079 37.053 25.487 { ca ser a 170 B12.11 1S83H} 33.724 35.656 28.203 { ca ser a 171 B12.15 1S83H} 32.598 32.928 25.786 { ca tyr a 172 B11.36 1S83H} 36.180 31.675 25.183 { ca pro a 173 B11.78 1S83H} 38.261 32.577 28.308 { ca gly a 174 B14.04 1S83H} 41.914 33.270 27.416 { ca gln a 175 B13.37 1S83H} 41.435 32.351 23.712 { ca ile a 176 B11.11 1S83H} 40.331 35.565 21.905 { ca thr a 177 B11.38 1S83H} 43.375 37.408 20.612 { ca gly a 178 B9.87 1S83H} 43.467 40.972 19.286 { ca asn a 179 B8.08 1S83H} 43.128 39.443 15.792 { ca met a 180 B7.84 1S83H} 39.707 37.860 16.414 { ca ile a 181 B7.98 1S83H} 36.113 39.065 16.716 { ca cys a 182 B8.96 1S83H} 32.896 37.277 17.538 { ca val a 183 B9.50 1S83H} 29.871 37.756 15.314 { ca gly a 184a B9.87 1S83H} 26.583 36.030 16.028 { ca phe a 184 B13.63 1S83H} 24.207 35.242 18.855 { ca leu a 185 B15.70 1S83H} 24.769 33.995 22.399 { ca glu a 186 B24.17 1S83H} 21.343 32.222 22.461 { ca gly a 187 B20.86 1S83H} 22.456 29.622 19.869 { ca gly a 188a B11.24 1S83H} 20.697 28.559 16.667 { ca lys a 188 B9.85 1S83H} 22.453 31.038 14.288 { ca asp a 189 B7.92 1S83H} 26.104 30.582 13.254 { ca ser a 190 B8.14 1S83H} 28.569 29.651 10.542 { ca cys a 191 B8.90 1S83H} 29.720 25.987 10.492 { ca gln a 192 B14.48 1S83H} 32.196 23.533 8.932 { ca gly a 193 B9.75 1S83H} 32.409 24.272 5.193 { ca asp a 194 B7.70 1S83H} 31.679 27.975 5.706 { ca ser a 195 B6.92 1S83H} 35.355 28.263 6.839 { ca gly a 196 B6.68 1S83H} 37.262 30.923 5.004 { ca gly a 197 B6.87 1S83H} 34.108 32.758 3.858 { ca pro a 198 B6.92 1S83H} 33.035 36.336 4.345 { ca val a 199 B7.18 1S83H} 31.593 38.485 7.089 { ca val a 200 B7.55 1S83H} 30.657 41.751 5.378 { ca cys a 201 B9.12 1S83H} 29.475 44.739 7.480 { ca asn a 202 B10.29 1S83H} 28.597 48.115 5.882 { ca gly a 203 B9.10 1S83H} 30.193 47.167 2.599 { ca gln a 204 B6.10 1S83H} 33.474 46.039 4.175 { ca leu a 209 B7.38 1S83H} 34.993 42.578 4.693 { ca gln a 210 B6.42 1S83H} 35.431 42.625 8.467 { ca gly a 211 B6.62 1S83H} 35.618 38.893 9.205 { ca ile a 212 B5.47 1S83H} 36.717 35.542 7.837 { ca val a 213 B6.60 1S83H} 34.945 32.415 9.093 { ca ser a 214 B5.91 1S83H} 37.587 30.892 11.422 { ca trp a 215 B6.54 1S83H} 36.650 28.870 14.485 { ca agly a 216 0.50 B6.85 1S83H}'a' 34.437 28.316 17.586 { ca trp a 215 B6.54 1S83H}P 'b' 36.650 28.870 14.485 { ca bgly a 216 0.50 B9.28 1S83H}'b' 34.167 28.018 17.162 { ca agly a 216 0.50 B6.85 1S83H}P 34.437 28.316 17.586 { ca tyr a 217 B11.16 1S83H} 33.042 25.289 19.507 { ca bgly a 216 0.50 B9.28 1S83H}P 34.167 28.018 17.162 { ca tyr a 217 B11.16 1S83H} 33.042 25.289 19.507 { ca gly a 219 B13.86 1S83H} 30.886 23.396 17.093 { ca cys a 220 B11.91 1S83H} 28.296 25.700 15.614 { ca ala a 221a B12.11 1S83H} 25.133 27.445 16.800 { ca gln a 221 B14.31 1S83H} 25.578 26.278 20.407 { ca lys a 222 B19.23 1S83H} 24.530 28.469 23.342 { ca asn a 223 B15.98 1S83H} 27.304 30.892 24.553 { ca lys a 224 B11.97 1S83H} 29.692 29.749 21.777 { ca pro a 225 B11.24 1S83H} 29.349 32.381 19.059 { ca gly a 226 B8.63 1S83H} 31.447 32.081 15.909 { ca val a 227 B7.52 1S83H} 34.996 33.541 16.032 { ca tyr a 228 B7.23 1S83H} 36.281 35.311 12.953 { ca thr a 229 B6.69 1S83H} 39.647 36.609 11.808 { ca lys a 230 B6.67 1S83H} 39.596 40.390 12.324 { ca val a 231 B7.79 1S83H} 40.329 41.563 8.814 { ca cys a 232 B8.73 1S83H} 40.774 45.266 9.811 { ca asn a 233 B7.75 1S83H} 44.204 44.195 11.264 { ca tyr a 234 B8.78 1S83H} 45.421 42.712 7.957 { ca val a 235 B8.02 1S83H} 44.968 45.356 5.251 { ca asn a 236 B8.52 1S83H} 48.743 46.090 5.171 { ca trp a 237 B9.13 1S83H} 49.640 42.419 4.968 { ca ile a 238 B8.10 1S83H} 47.082 41.856 2.204 { ca gln a 239 B9.97 1S83H} 48.179 44.831 0.125 { ca gln a 240 B9.15 1S83H} 51.921 44.035 0.592 { ca thr a 241 B11.42 1S83H} 51.319 40.430 -0.508 { ca ile a 242 B12.67 1S83H} 49.345 41.504 -3.575 { ca ala a 243 B12.20 1S83H} 52.039 44.040 -4.566 { ca ala a 244 B14.42 1S83H} 54.893 41.495 -4.184 { ca asn a 245 B17.80 1S83H} 53.260 38.573 -6.060 @subgroup {sidechain} @balllist {O} color= red radius= 0.150 { oe1 gln a 64 B17.10 1S83H} 36.978 23.623 -10.189 @balllist {N} color= sky radius= 0.150 { ne2 gln a 64 B18.82 1S83H} 38.142 24.014 -12.062 @vectorlist {sc} color= cyan master= {sidechain} { ca val a 31 B6.60 1S83H}P 33.649 32.091 -3.842 { cb val a 31 B7.82 1S83H} 35.086 32.330 -4.383 { cg1 val a 31 B8.65 1S83H} 35.229 33.679 -5.085 { cb val a 31 B7.82 1S83H}P 35.086 32.330 -4.383 { cg2 val a 31 B8.58 1S83H} 36.163 32.169 -3.304 { ca ser a 32 B6.72 1S83H}P 33.648 28.335 -3.372 { cb ser a 32 B7.62 1S83H} 32.585 27.439 -4.048 { og ser a 32 B8.47 1S83H} 32.865 26.106 -3.745 { ca leu a 33 B7.34 1S83H}P 37.060 26.690 -2.957 { cb leu a 33 B7.21 1S83H} 38.038 26.957 -1.805 { cg leu a 33 B7.60 1S83H} 38.228 28.444 -1.489 { cd1 leu a 33 B9.55 1S83H} 39.296 28.558 -0.374 { cg leu a 33 B7.60 1S83H}P 38.228 28.444 -1.489 { cd2 leu a 33 B8.71 1S83H} 38.654 29.273 -2.690 { ca asn a 34 B9.27 1S83H}P 36.942 23.279 -4.634 { cb asn a 34 B10.24 1S83H} 36.134 23.398 -5.912 { cg asn a 34 B10.66 1S83H} 35.604 22.043 -6.381 { od1 asn a 34 B12.75 1S83H} 36.368 21.195 -6.852 { cg asn a 34 B10.66 1S83H}P 35.604 22.043 -6.381 { nd2 asn a 34 B12.50 1S83H} 34.282 21.838 -6.360 { ca ser a 37 B15.84 1S83H}P 'a' 39.316 20.279 -4.381 { cb aser a 37 0.30B16.80 1S83H}'a' 40.156 20.256 -3.120 { og aser a 37 0.30B16.68 1S83H}'a' 41.418 19.787 -3.519 { ca ser a 37 B15.84 1S83H}P 'b' 39.316 20.279 -4.381 { cb bser a 37 0.70B18.21 1S83H}'b' 40.006 20.146 -3.011 { og bser a 37 0.70B21.90 1S83H}'b' 39.086 19.703 -2.037 { ca ser a 39 B11.76 1S83H}P 'a' 34.176 19.065 -3.931 { cb aser a 39 0.50B14.30 1S83H}'a' 33.762 18.071 -2.834 { og aser a 39 0.50B22.33 1S83H}'a' 33.572 16.764 -3.330 { ca ser a 39 B11.76 1S83H}P 'b' 34.176 19.065 -3.931 { cb bser a 39 0.50B14.05 1S83H}'b' 33.673 18.020 -2.939 { og bser a 39 0.50B19.34 1S83H}'b' 34.669 17.688 -2.010 { ca his a 40 B8.80 1S83H}P 33.425 22.341 -2.129 { cb his a 40 B8.30 1S83H} 32.001 22.861 -1.896 { cg his a 40 B8.86 1S83H} 31.975 23.989 -0.909 { nd1 his a 40 B8.02 1S83H} 32.228 25.307 -1.211 { ce1 his a 40 B7.44 1S83H} 32.200 25.976 -0.074 { ne2 his a 40 B8.97 1S83H} ghost 31.952 25.158 0.945 { cg his a 40 B8.86 1S83H}P 31.975 23.989 -0.909 { cd2 his a 40 B9.31 1S83H} 31.776 23.894 0.425 { ne2 his a 40 B8.97 1S83H} 31.952 25.158 0.945 { ca phe a 41 B8.46 1S83H}P 35.532 22.537 1.031 { cb phe a 41 B8.41 1S83H} 36.880 21.796 1.012 { cg phe a 41 B9.79 1S83H} 37.996 22.626 0.442 { cd1 phe a 41 B9.91 1S83H} 38.276 22.617 -0.918 { ce1 phe a 41 B9.79 1S83H} 39.305 23.408 -1.442 { cz phe a 41 B10.04 1S83H} 40.058 24.211 -0.577 { cg phe a 41 B9.79 1S83H}P 37.996 22.626 0.442 { cd2 phe a 41 B9.97 1S83H} 38.753 23.422 1.304 { ce2 phe a 41 B9.55 1S83H} 39.761 24.217 0.774 { cz phe a 41 B10.04 1S83H} ghost 40.058 24.211 -0.577 { ce1 his a 57 B8.04 1S83H}P 38.867 27.648 9.401 { cb cys a 58 B7.36 1S83H}P 40.649 26.892 4.090 { ca ile a 63 B9.30 1S83H}P 42.580 24.645 -5.177 { cb ile a 63 B8.62 1S83H} 42.676 25.809 -4.166 { cg2 ile a 63 B9.84 1S83H} 41.289 26.482 -3.999 { ca gln a 64 B9.52 1S83H}P 40.117 25.543 -7.892 { cb gln a 64 B11.05 1S83H} 39.392 24.545 -8.782 { cg gln a 64 B12.06 1S83H} 38.729 25.223 -9.990 { cd gln a 64 B15.24 1S83H} 37.874 24.220 -10.773 { oe1 gln a 64 B17.10 1S83H} 36.978 23.623 -10.189 { cd gln a 64 B15.24 1S83H}P 37.874 24.220 -10.773 { ne2 gln a 64 B18.82 1S83H} 38.142 24.014 -12.062 { ca val a 65 B8.97 1S83H}P 38.309 28.819 -7.197 { cb val a 65 B9.51 1S83H} 39.002 30.189 -7.149 { cg1 val a 65 B9.90 1S83H} 38.006 31.247 -6.659 { cb val a 65 B9.51 1S83H}P 39.002 30.189 -7.149 { cg2 val a 65 B9.21 1S83H} 40.255 30.087 -6.247 { ca leu a 67 B7.97 1S83H}P 33.246 32.377 -8.716 { cb leu a 67 B7.51 1S83H} 34.146 33.456 -9.352 { cg leu a 67 B8.41 1S83H} 35.579 33.461 -8.804 { cd1 leu a 67 B11.41 1S83H} 36.570 32.898 -9.817 { cg leu a 67 B8.41 1S83H}P 35.579 33.461 -8.804 { cd2 leu a 67 B10.12 1S83H} 35.952 34.882 -8.386 { ca glu a 70 B10.08 1S83H}P 28.134 30.353 -8.002 { cb glu a 70 B9.72 1S83H} 28.895 29.336 -7.131 { cg glu a 70 B10.88 1S83H} 29.898 28.523 -7.945 { cd glu a 70 B11.89 1S83H} 29.250 27.378 -8.733 { oe1 glu a 70 B10.67 1S83H} 28.019 27.478 -9.018 { cd glu a 70 B11.89 1S83H}P 29.250 27.378 -8.733 { oe2 glu a 70 B12.49 1S83H} 29.965 26.410 -9.044 { ca asn a 72 B9.87 1S83H}P 24.035 26.269 -6.955 { cb asn a 72 B10.05 1S83H} 22.934 25.759 -7.885 { ca ile a 73 B10.99 1S83H}P 27.451 24.624 -6.522 { cb ile a 73 B10.82 1S83H} 28.301 24.585 -5.250 { cg1 ile a 73 B11.66 1S83H} 27.611 23.886 -4.071 { cd1 ile a 73 B12.98 1S83H} 28.590 23.579 -2.924 { cb ile a 73 B10.82 1S83H}P 28.301 24.585 -5.250 { cg2 ile a 73 B10.61 1S83H} 28.766 26.016 -4.945 { ca asp a 74 B13.00 1S83H}P 25.947 21.331 -7.871 { cb asp a 74 B14.40 1S83H} 25.035 20.492 -6.969 { cg asp a 74 B18.09 1S83H} 25.698 20.250 -5.611 { od1 asp a 74 B18.40 1S83H} 26.857 19.771 -5.602 { cg asp a 74 B18.09 1S83H}P 25.698 20.250 -5.611 { od2 asp a 74 B18.53 1S83H} 25.088 20.580 -4.581 { ca val a 75 B11.99 1S83H}P 24.588 22.827 -11.126 { cb val a 75 B12.73 1S83H} 23.047 23.037 -11.119 { cg1 val a 75 B15.15 1S83H} 22.558 23.187 -12.564 { cb val a 75 B12.73 1S83H}P 23.047 23.037 -11.119 { cg2 val a 75 B13.41 1S83H} 22.300 21.855 -10.460 { ca leu a 76 B18.89 1S83H}P 'a' 26.296 24.769 -13.886 { cb aleu a 76 0.50B19.17 1S83H}'a' 27.153 24.014 -14.932 { cg aleu a 76 0.50B21.16 1S83H}'a' 28.475 24.651 -15.391 { cd1aleu a 76 0.50B22.29 1S83H}'a' 28.274 25.832 -16.344 { ca leu a 76 B18.89 1S83H}P 'b' 26.296 24.769 -13.886 { cb bleu a 76 0.50B22.83 1S83H}'b' 27.175 24.064 -14.932 { cg bleu a 76 0.50B27.60 1S83H}'b' 28.341 24.932 -15.431 { cd1bleu a 76 0.50B29.31 1S83H}'b' 29.423 25.105 -14.353 { cg aleu a 76 0.50B21.16 1S83H}P 'a' 28.475 24.651 -15.391 { cd2aleu a 76 0.50B19.18 1S83H}'a' 29.360 25.037 -14.202 { cg bleu a 76 0.50B27.60 1S83H}P 'b' 28.341 24.932 -15.431 { cd2bleu a 76 0.50B28.94 1S83H}'b' 28.960 24.266 -16.669 { ca aglu a 77 0.70B19.02 1S83H}P 'a' 23.799 27.685 -14.202 { cb aglu a 77 0.70B18.24 1S83H}'a' 23.200 28.300 -12.926 { cg aglu a 77 0.70B17.02 1S83H}'a' 22.578 27.251 -11.984 { cd aglu a 77 0.70B16.42 1S83H}'a' 21.945 27.895 -10.746 { oe1aglu a 77 0.70B15.93 1S83H}'a' 22.708 28.329 -9.850 { ca bglu a 77 0.30B22.15 1S83H}P 'b' 23.834 27.751 -14.111 { cb bglu a 77 0.30B23.28 1S83H}'b' 23.486 28.460 -12.794 { cg bglu a 77 0.30B23.51 1S83H}'b' 23.109 27.540 -11.628 { cd bglu a 77 0.30B23.07 1S83H}'b' 23.565 28.157 -10.311 { oe1bglu a 77 0.30B23.10 1S83H}'b' 24.782 28.099 -10.022 { cd aglu a 77 0.70B16.42 1S83H}P 'a' 21.945 27.895 -10.746 { oe2aglu a 77 0.70B17.66 1S83H}'a' 20.690 27.968 -10.728 { cd bglu a 77 0.30B23.07 1S83H}P 'b' 23.565 28.157 -10.311 { oe2bglu a 77 0.30B21.13 1S83H}'b' 22.669 28.675 -9.616 { ca asn a 79 B20.14 1S83H}P 27.446 32.662 -14.474 { cb asn a 79 B23.64 1S83H} 26.516 33.356 -13.481 { ca glu a 80 B10.68 1S83H}P 30.262 30.591 -12.993 { cb glu a 80 B11.81 1S83H} 30.274 29.081 -12.776 { cg glu a 80 B12.38 1S83H} 29.101 28.561 -11.937 { cd glu a 80 B13.79 1S83H} 27.852 28.125 -12.697 { oe1 glu a 80 B15.06 1S83H} 27.725 28.451 -13.882 { cd glu a 80 B13.79 1S83H}P 27.852 28.125 -12.697 { oe2 glu a 80 B13.46 1S83H} 27.061 27.444 -12.018 { ca gln a 81 B9.54 1S83H}P 33.968 31.263 -13.589 { cb gln a 81 B9.36 1S83H} 34.552 32.672 -13.575 { cg gln a 81 B10.31 1S83H} 33.738 33.657 -14.408 { cd gln a 81 B10.96 1S83H} 34.245 35.078 -14.236 { oe1 gln a 81 B12.45 1S83H} 35.458 35.307 -14.178 { cd gln a 81 B10.96 1S83H}P 34.245 35.078 -14.236 { ne2 gln a 81 B10.16 1S83H} 33.368 36.056 -14.185 { ca phe a 82 B9.23 1S83H}P 36.224 28.369 -12.604 { cb phe a 82 B10.38 1S83H} 35.927 26.922 -12.978 { cg phe a 82 B10.59 1S83H} 34.561 26.372 -12.582 { cd1 phe a 82 B10.18 1S83H} 33.617 27.089 -11.832 { ce1 phe a 82 B10.66 1S83H} 32.386 26.488 -11.501 { cz phe a 82 B13.27 1S83H} 32.134 25.165 -11.878 { cg phe a 82 B10.59 1S83H}P 34.561 26.372 -12.582 { cd2 phe a 82 B13.14 1S83H} 34.286 25.046 -12.954 { ce2 phe a 82 B14.63 1S83H} 33.076 24.430 -12.593 { cz phe a 82 B13.27 1S83H} ghost 32.134 25.165 -11.878 { ca ile a 83 B9.22 1S83H}P 39.835 29.484 -12.186 { cb ile a 83 B9.35 1S83H} 39.916 31.017 -12.083 { cg1 ile a 83 B10.37 1S83H} 38.958 31.715 -13.076 { cd1 ile a 83 B10.85 1S83H} 38.905 33.235 -12.903 { cb ile a 83 B9.35 1S83H}P 39.916 31.017 -12.083 { cg2 ile a 83 B8.91 1S83H} 41.381 31.406 -12.358 { ca asn a 84 B11.87 1S83H}P 42.714 27.513 -10.637 { cb asn a 84 B12.91 1S83H} 43.642 26.531 -11.365 { cg asn a 84 B16.63 1S83H} 42.860 25.309 -11.866 { od1 asn a 84 B18.07 1S83H} 41.911 24.856 -11.223 { cg asn a 84 B16.63 1S83H}P 42.860 25.309 -11.866 { nd2 asn a 84 B19.60 1S83H} 43.273 24.751 -13.009 { cb trp a 141 B9.18 1S83H}P 28.246 25.991 0.201 { cg trp a 141 B7.59 1S83H} 27.757 26.795 -0.932 { cd1 trp a 141 B8.07 1S83H} 26.593 26.612 -1.626 { ne1 trp a 141 B8.70 1S83H} 26.482 27.503 -2.651 { ce2 trp a 141 B8.69 1S83H} ghost 27.599 28.315 -2.711 { cg trp a 141 B7.59 1S83H}P 27.757 26.795 -0.932 { cd2 trp a 141 B8.71 1S83H} 28.413 27.890 -1.624 { ce2 trp a 141 B8.69 1S83H} 27.599 28.315 -2.711 { cz2 trp a 141 B9.29 1S83H} 27.938 29.340 -3.589 { ch2 trp a 141 B9.15 1S83H} 29.184 29.965 -3.394 { cd2 trp a 141 B8.71 1S83H}P 28.413 27.890 -1.624 { ce3 trp a 141 B7.43 1S83H} 29.671 28.549 -1.448 { cz3 trp a 141 B8.93 1S83H} 30.015 29.567 -2.335 { ch2 trp a 141 B9.15 1S83H} ghost 29.184 29.965 -3.394 { cd2 phe a 184 B14.29 1S83H}P 21.638 36.716 17.312 { cb acys a 220 0.50B13.06 1S83H}P 'a' 28.020 25.407 14.108 @balllist {N} color= sky radius= 0.150 { ne arg a 66 B11.43 1S83H} 34.442 23.991 -9.109 { nh1 arg a 66 B12.03 1S83H} 32.591 22.574 -9.320 { nh2 arg a 66 B14.02 1S83H} 34.625 21.997 -10.254 @vectorlist {sc 66} color= cyan width= 3 { ca arg a 66 B8.19 1S83H}P 34.637 28.856 -8.304 { cb arg a 66 B8.85 1S83H} 33.813 27.578 -8.059 { cg arg a 66 B9.14 1S83H} 34.606 26.336 -8.514 { cd arg a 66 B10.26 1S83H} 33.739 25.082 -8.457 { ne arg a 66 B11.43 1S83H} 34.442 23.991 -9.109 { cz arg a 66 B12.59 1S83H} 33.881 22.855 -9.551 { nh1 arg a 66 B12.03 1S83H} 32.591 22.574 -9.320 { cz arg a 66 B12.59 1S83H}P 33.881 22.855 -9.551 { nh2 arg a 66 B14.02 1S83H} 34.625 21.997 -10.254 @balllist {O} color= red { od1 asp a 102 B7.43 1S83H} 42.821 30.216 9.395 { od2 asp a 102 B7.85 1S83H} 41.065 30.220 10.705 { og ser a 195 B16.89 1S83H} 35.691 26.294 8.139 @balllist {N} color= sky { nd1 his a 57 B8.19 1S83H} 40.191 27.812 9.604 { ne2 his a 57 B8.64 1S83H} ghost 38.637 26.397 9.013 @vectorlist {act site} color= green { ca his a 57 B8.21 1S83H}P 43.080 26.476 8.244 { cb his a 57 B9.48 1S83H} 42.260 26.345 9.534 { cg his a 57 B8.34 1S83H} 40.782 26.606 9.395 { nd1 his a 57 B8.19 1S83H} 40.191 27.812 9.604 { ce1 his a 57 B8.04 1S83H} 38.867 27.648 9.401 { ne2 his a 57 B8.64 1S83H} ghost 38.637 26.397 9.013 { cg his a 57 B8.34 1S83H}P 40.782 26.606 9.395 { cd2 his a 57 B9.03 1S83H} 39.838 25.731 8.982 { ne2 his a 57 B8.64 1S83H} 38.637 26.397 9.013 { ca asp a 102 B8.02 1S83H}P 43.863 32.548 10.387 { cb asp a 102 B7.59 1S83H} 42.698 31.886 11.122 { cg asp a 102 B7.11 1S83H} 42.193 30.674 10.356 { od1 asp a 102 B7.43 1S83H} 42.821 30.216 9.395 { cg asp a 102 B7.11 1S83H}P 42.193 30.674 10.356 { od2 asp a 102 B7.85 1S83H} 41.065 30.220 10.705 { ca ser a 195 B6.92 1S83H}P 35.355 28.263 6.839 { cb ser a 195 B11.21 1S83H} 36.206 27.021 7.059 { og ser a 195 B16.89 1S83H} 35.691 26.294 8.139 @vectorlist {sc H} color= gray nobutton master= {sidechain} master= {H's} { cb val a 31 B7.82 1S83H}P 35.086 32.330 -4.383 { hb val a 31 B7.82 1S83H} 35.268 31.550 -5.137 { cg1 val a 31 B8.65 1S83H}P 35.229 33.679 -5.085 {1hg1 val a 31 B8.65 1S83H} 36.198 33.718 -5.605 { cg1 val a 31 B8.65 1S83H}P 35.229 33.679 -5.085 {2hg1 val a 31 B8.65 1S83H} 34.424 33.794 -5.826 { cg2 val a 31 B8.58 1S83H}P 36.163 32.169 -3.304 {1hg2 val a 31 B8.58 1S83H} 37.151 32.215 -3.785 { cg2 val a 31 B8.58 1S83H}P 36.163 32.169 -3.304 {2hg2 val a 31 B8.58 1S83H} 36.100 33.003 -2.590 { cg2 val a 31 B8.58 1S83H}P 36.163 32.169 -3.304 {3hg2 val a 31 B8.58 1S83H} 36.083 31.210 -2.771 { cb ser a 32 B7.62 1S83H}P 32.585 27.439 -4.048 {1hb ser a 32 B7.62 1S83H} 31.591 27.700 -3.657 { cb ser a 32 B7.62 1S83H}P 32.585 27.439 -4.048 {2hb ser a 32 B7.62 1S83H} 32.593 27.589 -5.138 { og ser a 32 B8.47 1S83H}P 32.865 26.106 -3.745 { hg ser a 32 B8.47 1S83H} 32.965 25.609 -4.607 { cb leu a 33 B7.21 1S83H}P 38.038 26.957 -1.805 {1hb leu a 33 B7.21 1S83H} 37.692 26.444 -0.895 { cb leu a 33 B7.21 1S83H}P 38.038 26.957 -1.805 {2hb leu a 33 B7.21 1S83H} 39.011 26.519 -2.074 { cg leu a 33 B7.60 1S83H}P 38.228 28.444 -1.489 { hg leu a 33 B7.60 1S83H} 37.284 28.852 -1.099 { cd1 leu a 33 B9.55 1S83H}P 39.296 28.558 -0.374 {1hd1 leu a 33 B9.55 1S83H} 38.955 28.047 0.539 { cd1 leu a 33 B9.55 1S83H}P 39.296 28.558 -0.374 {2hd1 leu a 33 B9.55 1S83H} 40.241 28.104 -0.706 { cd1 leu a 33 B9.55 1S83H}P 39.296 28.558 -0.374 {3hd1 leu a 33 B9.55 1S83H} 39.472 29.617 -0.135 { cd2 leu a 33 B8.71 1S83H}P 38.654 29.273 -2.690 {1hd2 leu a 33 B8.71 1S83H} 37.872 29.284 -3.464 { cd2 leu a 33 B8.71 1S83H}P 38.654 29.273 -2.690 {2hd2 leu a 33 B8.71 1S83H} 38.833 30.313 -2.381 { cd2 leu a 33 B8.71 1S83H}P 38.654 29.273 -2.690 {3hd2 leu a 33 B8.71 1S83H} 39.579 28.866 -3.125 { cb asn a 34 B10.24 1S83H}P 36.134 23.398 -5.912 {1hb asn a 34 B10.24 1S83H} 35.282 24.071 -5.734 { cb asn a 34 B10.24 1S83H}P 36.134 23.398 -5.912 {2hb asn a 34 B10.24 1S83H} 36.752 23.836 -6.709 { nd2 asn a 34 B12.50 1S83H}P 34.282 21.838 -6.360 {1hd2 asn a 34 B12.50 1S83H} 33.662 22.549 -6.027 { nd2 asn a 34 B12.50 1S83H}P 34.282 21.838 -6.360 {2hd2 asn a 34 B12.50 1S83H} 33.926 20.931 -6.584 { cb aser a 37 0.30 B16.80 1S83H}P 'a' 40.156 20.256 -3.120 {1hb aser a 37 0.30 B16.80 1S83H}'a' 40.274 21.272 -2.716 { cb bser a 37 0.70 B18.21 1S83H}P 'b' 40.006 20.146 -3.011 {1hb bser a 37 0.70 B18.21 1S83H}'b' 40.817 19.407 -3.082 { cb aser a 37 0.30 B16.80 1S83H}P 'a' 40.156 20.256 -3.120 {2hb aser a 37 0.30 B16.80 1S83H}'a' 39.693 19.598 -2.370 { cb bser a 37 0.70 B18.21 1S83H}P 'b' 40.006 20.146 -3.011 {2hb bser a 37 0.70 B18.21 1S83H}'b' 40.431 21.114 -2.708 { og aser a 37 0.30 B16.68 1S83H}P 'a' 41.418 19.787 -3.519 { hg aser a 37 0.30 B16.68 1S83H}'a' 41.996 19.702 -2.708 { og bser a 37 0.70 B21.90 1S83H}P 'b' 39.086 19.703 -2.037 { hg bser a 37 0.70 B21.90 1S83H}'b' 39.575 19.550 -1.178 { ca gly a 38 B14.59 1S83H}P 37.037 17.730 -6.120 {2ha gly a 38 B14.59 1S83H} 37.429 16.808 -5.666 { cb aser a 39 0.50 B14.30 1S83H}P 'a' 33.762 18.071 -2.834 {1hb aser a 39 0.50 B14.30 1S83H}'a' 34.541 18.045 -2.058 { cb bser a 39 0.50 B14.05 1S83H}P 'b' 33.673 18.020 -2.939 {1hb bser a 39 0.50 B14.05 1S83H}'b' 32.794 18.411 -2.406 { cb aser a 39 0.50 B14.30 1S83H}P 'a' 33.762 18.071 -2.834 {2hb aser a 39 0.50 B14.30 1S83H}'a' 32.825 18.412 -2.370 { cb bser a 39 0.50 B14.05 1S83H}P 'b' 33.673 18.020 -2.939 {2hb bser a 39 0.50 B14.05 1S83H}'b' 33.380 17.113 -3.489 { og aser a 39 0.50 B22.33 1S83H}P 'a' 33.572 16.764 -3.330 { hg aser a 39 0.50 B22.33 1S83H}'a' 32.848 16.786 -4.020 { og bser a 39 0.50 B19.34 1S83H}P 'b' 34.669 17.688 -2.010 { hg bser a 39 0.50 B19.34 1S83H}'b' 34.965 18.527 -1.553 { cb his a 40 B8.30 1S83H}P 32.001 22.861 -1.896 {1hb his a 40 B8.30 1S83H} 31.605 23.221 -2.857 { cb his a 40 B8.30 1S83H}P 32.001 22.861 -1.896 {2hb his a 40 B8.30 1S83H} 31.364 22.043 -1.529 { nd1 his a 40 B8.02 1S83H}P 32.228 25.307 -1.211 { hd1 his a 40 B8.02 1S83H} 32.359 25.689 -2.126 { cd2 his a 40 B9.31 1S83H}P 31.776 23.894 0.425 { hd2 his a 40 B9.31 1S83H} 31.573 22.982 1.005 { ce1 his a 40 B7.44 1S83H}P 32.200 25.976 -0.074 { he1 his a 40 B7.44 1S83H} 32.347 27.062 0.016 { ne2 his a 40 B8.97 1S83H}P 31.952 25.158 0.945 { he2 his a 40 B8.97 1S83H} 31.894 25.420 1.908 { cb phe a 41 B8.41 1S83H}P 36.880 21.796 1.012 {1hb phe a 41 B8.41 1S83H} 37.132 21.490 2.038 { cb phe a 41 B8.41 1S83H}P 36.880 21.796 1.012 {2hb phe a 41 B8.41 1S83H} 36.778 20.880 0.411 { cd1 phe a 41 B9.91 1S83H}P 38.276 22.617 -0.918 { hd1 phe a 41 B9.91 1S83H} 37.670 22.006 -1.603 { cd2 phe a 41 B9.97 1S83H}P 38.753 23.422 1.304 { hd2 phe a 41 B9.97 1S83H} 38.544 23.438 2.384 { ce1 phe a 41 B9.79 1S83H}P 39.305 23.408 -1.442 { he1 phe a 41 B9.79 1S83H} 39.517 23.422 -2.521 { ce2 phe a 41 B9.55 1S83H}P 39.761 24.217 0.774 { he2 phe a 41 B9.55 1S83H} 40.320 24.885 1.445 { cz phe a 41 B10.04 1S83H}P 40.058 24.211 -0.577 { hz phe a 41 B10.04 1S83H} 40.846 24.866 -0.978 { cb ile a 63 B8.62 1S83H}P 42.676 25.809 -4.166 { hb ile a 63 B8.62 1S83H} 43.374 26.568 -4.548 { cg2 ile a 63 B9.84 1S83H}P 41.289 26.482 -3.999 {1hg2 ile a 63 B9.84 1S83H} 41.329 27.302 -3.267 { cg2 ile a 63 B9.84 1S83H}P 41.289 26.482 -3.999 {2hg2 ile a 63 B9.84 1S83H} 40.964 26.938 -4.946 { cg2 ile a 63 B9.84 1S83H}P 41.289 26.482 -3.999 {3hg2 ile a 63 B9.84 1S83H} 40.546 25.740 -3.671 { cb gln a 64 B11.05 1S83H}P 39.392 24.545 -8.782 {1hb gln a 64 B11.05 1S83H} 40.106 23.791 -9.144 { cb gln a 64 B11.05 1S83H}P 39.392 24.545 -8.782 {2hb gln a 64 B11.05 1S83H} 38.628 24.032 -8.179 { cg gln a 64 B12.06 1S83H}P 38.729 25.223 -9.990 {1hg gln a 64 B12.06 1S83H} 38.066 26.029 -9.642 { cg gln a 64 B12.06 1S83H}P 38.729 25.223 -9.990 {2hg gln a 64 B12.06 1S83H} 39.491 25.676 -10.641 { ne2 gln a 64 B18.82 1S83H}P 38.142 24.014 -12.062 {1he2 gln a 64 B18.82 1S83H} 38.895 24.493 -12.512 { ne2 gln a 64 B18.82 1S83H}P 38.142 24.014 -12.062 {2he2 gln a 64 B18.82 1S83H} 37.545 23.410 -12.590 { cb val a 65 B9.51 1S83H}P 39.002 30.189 -7.149 { hb val a 65 B9.51 1S83H} 39.320 30.465 -8.165 { cg1 val a 65 B9.90 1S83H}P 38.006 31.247 -6.659 {1hg1 val a 65 B9.90 1S83H} 37.673 30.995 -5.641 { cg1 val a 65 B9.90 1S83H}P 38.006 31.247 -6.659 {2hg1 val a 65 B9.90 1S83H} 38.483 32.238 -6.655 { cg1 val a 65 B9.90 1S83H}P 38.006 31.247 -6.659 {3hg1 val a 65 B9.90 1S83H} 37.144 31.302 -7.340 { cg2 val a 65 B9.21 1S83H}P 40.255 30.087 -6.247 {1hg2 val a 65 B9.21 1S83H} 40.988 29.392 -6.683 { cg2 val a 65 B9.21 1S83H}P 40.255 30.087 -6.247 {2hg2 val a 65 B9.21 1S83H} 40.714 31.082 -6.157 { cg2 val a 65 B9.21 1S83H}P 40.255 30.087 -6.247 {3hg2 val a 65 B9.21 1S83H} 39.984 29.737 -5.240 { cb arg a 66 B8.85 1S83H}P 33.813 27.578 -8.059 {1hb arg a 66 B8.85 1S83H} 33.578 27.488 -6.988 { cb arg a 66 B8.85 1S83H}P 33.813 27.578 -8.059 {2hb arg a 66 B8.85 1S83H} 32.878 27.650 -8.634 { cg arg a 66 B9.14 1S83H}P 34.606 26.336 -8.514 {1hg arg a 66 B9.14 1S83H} 34.947 26.489 -9.549 { cg arg a 66 B9.14 1S83H}P 34.606 26.336 -8.514 {2hg arg a 66 B9.14 1S83H} 35.492 26.192 -7.878 { cd arg a 66 B10.26 1S83H}P 33.739 25.082 -8.457 {1hd arg a 66 B10.26 1S83H} 33.535 24.821 -7.408 { cd arg a 66 B10.26 1S83H}P 33.739 25.082 -8.457 {2hd arg a 66 B10.26 1S83H} 32.792 25.274 -8.983 { ne arg a 66 B11.43 1S83H}P 34.442 23.991 -9.109 { he arg a 66 B11.43 1S83H} 35.408 24.144 -9.319 { nh1 arg a 66 B12.03 1S83H}P 32.591 22.574 -9.320 {1hh1 arg a 66 B12.03 1S83H} 32.030 23.218 -8.800 { nh1 arg a 66 B12.03 1S83H}P 32.591 22.574 -9.320 {2hh1 arg a 66 B12.03 1S83H} 32.202 21.708 -9.634 { nh2 arg a 66 B14.02 1S83H}P 34.625 21.997 -10.254 {1hh2 arg a 66 B14.02 1S83H} 35.587 22.201 -10.434 { nh2 arg a 66 B14.02 1S83H}P 34.625 21.997 -10.254 {2hh2 arg a 66 B14.02 1S83H} 34.213 21.165 -10.626 { cb leu a 67 B7.51 1S83H}P 34.146 33.456 -9.352 {1hb leu a 67 B7.51 1S83H} 34.158 33.322 -10.444 { cb leu a 67 B7.51 1S83H}P 34.146 33.456 -9.352 {2hb leu a 67 B7.51 1S83H} 33.682 34.434 -9.158 { cg leu a 67 B8.41 1S83H}P 35.579 33.461 -8.804 { hg leu a 67 B8.41 1S83H} 35.627 32.847 -7.893 { cd1 leu a 67 B11.41 1S83H}P 36.570 32.898 -9.817 {1hd1 leu a 67 B11.41 1S83H} 36.620 33.554 -10.698 { cd1 leu a 67 B11.41 1S83H}P 36.570 32.898 -9.817 {2hd1 leu a 67 B11.41 1S83H} 37.568 32.830 -9.359 { cd1 leu a 67 B11.41 1S83H}P 36.570 32.898 -9.817 {3hd1 leu a 67 B11.41 1S83H} 36.270 31.887 -10.129 { cd2 leu a 67 B10.12 1S83H}P 35.952 34.882 -8.386 {1hd2 leu a 67 B10.12 1S83H} 35.287 35.235 -7.584 { cd2 leu a 67 B10.12 1S83H}P 35.952 34.882 -8.386 {2hd2 leu a 67 B10.12 1S83H} 36.987 34.863 -8.013 { cd2 leu a 67 B10.12 1S83H}P 35.952 34.882 -8.386 {3hd2 leu a 67 B10.12 1S83H} 35.891 35.557 -9.252 { ca gly a 69 B8.74 1S83H}P 29.693 33.472 -9.657 {2ha gly a 69 B8.74 1S83H} 29.815 33.584 -10.744 { cb glu a 70 B9.72 1S83H}P 28.895 29.336 -7.131 {1hb glu a 70 B9.72 1S83H} 29.402 29.851 -6.302 { cb glu a 70 B9.72 1S83H}P 28.895 29.336 -7.131 {2hb glu a 70 B9.72 1S83H} 28.191 28.628 -6.668 { cg glu a 70 B10.88 1S83H}P 29.898 28.523 -7.945 {1hg glu a 70 B10.88 1S83H} 30.408 29.184 -8.661 { cg glu a 70 B10.88 1S83H}P 29.898 28.523 -7.945 {2hg glu a 70 B10.88 1S83H} 30.650 28.103 -7.261 { cb asn a 72 B10.05 1S83H}P 22.934 25.759 -7.885 {1hb asn a 72 B10.05 1S83H} 22.036 26.372 -7.719 { cb asn a 72 B10.05 1S83H}P 22.934 25.759 -7.885 {2hb asn a 72 B10.05 1S83H} 23.229 25.850 -8.941 { cb ile a 73 B10.82 1S83H}P 28.301 24.585 -5.250 { hb ile a 73 B10.82 1S83H} 29.209 24.007 -5.477 { cg1 ile a 73 B11.66 1S83H}P 27.611 23.886 -4.071 {1hg1 ile a 73 B11.66 1S83H} 26.805 24.521 -3.675 { cg1 ile a 73 B11.66 1S83H}P 27.611 23.886 -4.071 {2hg1 ile a 73 B11.66 1S83H} 27.172 22.934 -4.405 { cg2 ile a 73 B10.61 1S83H}P 28.766 26.016 -4.945 {1hg2 ile a 73 B10.61 1S83H} 29.388 26.388 -5.773 { cg2 ile a 73 B10.61 1S83H}P 28.766 26.016 -4.945 {2hg2 ile a 73 B10.61 1S83H} 27.898 26.684 -4.846 { cg2 ile a 73 B10.61 1S83H}P 28.766 26.016 -4.945 {3hg2 ile a 73 B10.61 1S83H} 29.360 26.042 -4.020 { cd1 ile a 73 B12.98 1S83H}P 28.590 23.579 -2.924 {1hd1 ile a 73 B12.98 1S83H} 29.436 22.996 -3.318 { cd1 ile a 73 B12.98 1S83H}P 28.590 23.579 -2.924 {2hd1 ile a 73 B12.98 1S83H} 28.945 24.509 -2.455 { cd1 ile a 73 B12.98 1S83H}P 28.590 23.579 -2.924 {3hd1 ile a 73 B12.98 1S83H} 28.080 22.980 -2.155 { cb asp a 74 B14.40 1S83H}P 25.035 20.492 -6.969 {1hb asp a 74 B14.40 1S83H} 24.067 20.996 -6.835 { cb asp a 74 B14.40 1S83H}P 25.035 20.492 -6.969 {2hb asp a 74 B14.40 1S83H} 24.854 19.516 -7.443 { cb val a 75 B12.73 1S83H}P 23.047 23.037 -11.119 { hb val a 75 B12.73 1S83H} 22.802 23.954 -10.564 { cg1 val a 75 B15.15 1S83H}P 22.558 23.187 -12.564 {1hg1 val a 75 B15.15 1S83H} 22.858 22.308 -13.154 { cg1 val a 75 B15.15 1S83H}P 22.558 23.187 -12.564 {2hg1 val a 75 B15.15 1S83H} 21.461 23.267 -12.577 { cg1 val a 75 B15.15 1S83H}P 22.558 23.187 -12.564 {3hg1 val a 75 B15.15 1S83H} 22.959 24.099 -13.030 { cg2 val a 75 B13.41 1S83H}P 22.300 21.855 -10.460 {1hg2 val a 75 B13.41 1S83H} 22.571 21.757 -9.398 { cg2 val a 75 B13.41 1S83H}P 22.300 21.855 -10.460 {2hg2 val a 75 B13.41 1S83H} 21.217 22.036 -10.517 { cg2 val a 75 B13.41 1S83H}P 22.300 21.855 -10.460 {3hg2 val a 75 B13.41 1S83H} 22.536 20.918 -10.986 { cb aleu a 76 0.50 B19.17 1S83H}P 'a' 27.153 24.014 -14.932 {1hb aleu a 76 0.50 B19.17 1S83H}'a' 27.446 23.047 -14.497 { cb bleu a 76 0.50 B22.83 1S83H}P 'b' 27.175 24.064 -14.932 {1hb bleu a 76 0.50 B22.83 1S83H}'b' 27.601 23.150 -14.493 { cb aleu a 76 0.50 B19.17 1S83H}P 'a' 27.153 24.014 -14.932 {2hb aleu a 76 0.50 B19.17 1S83H}'a' 26.543 23.773 -15.815 { cb bleu a 76 0.50 B22.83 1S83H}P 'b' 27.175 24.064 -14.932 {2hb bleu a 76 0.50 B22.83 1S83H}'b' 26.549 23.757 -15.783 { cg aleu a 76 0.50 B21.16 1S83H}P 'a' 28.475 24.651 -15.391 { hg aleu a 76 0.50 B21.16 1S83H}'a' 29.016 23.875 -15.953 { cg bleu a 76 0.50 B27.60 1S83H}P 'b' 28.341 24.932 -15.431 { hg bleu a 76 0.50 B27.60 1S83H}'b' 27.954 25.921 -15.717 { cd1aleu a 76 0.50 B22.29 1S83H}P 'a' 28.274 25.832 -16.344 {1hd1aleu a 76 0.50 B22.29 1S83H}'a' 29.264 26.200 -16.650 { cd1bleu a 76 0.50 B29.31 1S83H}P 'b' 29.423 25.105 -14.353 {1hd1bleu a 76 0.50 B29.31 1S83H}'b' 29.027 25.652 -13.485 { cd1aleu a 76 0.50 B22.29 1S83H}P 'a' 28.274 25.832 -16.344 {2hd1aleu a 76 0.50 B22.29 1S83H}'a' 27.721 25.503 -17.236 { cd1bleu a 76 0.50 B29.31 1S83H}P 'b' 29.423 25.105 -14.353 {2hd1bleu a 76 0.50 B29.31 1S83H}'b' 29.791 24.123 -14.021 { cd1aleu a 76 0.50 B22.29 1S83H}P 'a' 28.274 25.832 -16.344 {3hd1aleu a 76 0.50 B22.29 1S83H}'a' 27.717 26.640 -15.847 { cd1bleu a 76 0.50 B29.31 1S83H}P 'b' 29.423 25.105 -14.353 {3hd1bleu a 76 0.50 B29.31 1S83H}'b' 30.265 25.681 -14.763 { cd2aleu a 76 0.50 B19.18 1S83H}P 'a' 29.360 25.037 -14.202 {1hd2aleu a 76 0.50 B19.18 1S83H}'a' 28.977 25.945 -13.713 { cd2bleu a 76 0.50 B28.94 1S83H}P 'b' 28.960 24.266 -16.669 {1hd2bleu a 76 0.50 B28.94 1S83H}'b' 29.808 24.864 -17.034 { cd2aleu a 76 0.50 B19.18 1S83H}P 'a' 29.360 25.037 -14.202 {2hd2aleu a 76 0.50 B19.18 1S83H}'a' 29.392 24.216 -13.470 { cd2bleu a 76 0.50 B28.94 1S83H}P 'b' 28.960 24.266 -16.669 {2hd2bleu a 76 0.50 B28.94 1S83H}'b' 29.316 23.256 -16.417 { cd2aleu a 76 0.50 B19.18 1S83H}P 'a' 29.360 25.037 -14.202 {3hd2aleu a 76 0.50 B19.18 1S83H}'a' 30.383 25.235 -14.555 { cd2bleu a 76 0.50 B28.94 1S83H}P 'b' 28.960 24.266 -16.669 {3hd2bleu a 76 0.50 B28.94 1S83H}'b' 28.210 24.192 -17.470 { cb aglu a 77 0.70 B18.24 1S83H}P 'a' 23.200 28.300 -12.926 {1hb aglu a 77 0.70 B18.24 1S83H}'a' 23.978 28.862 -12.387 { cb bglu a 77 0.30 B23.28 1S83H}P 'b' 23.486 28.460 -12.794 {1hb bglu a 77 0.30 B23.28 1S83H}'b' 24.363 29.059 -12.509 { cb aglu a 77 0.70 B18.24 1S83H}P 'a' 23.200 28.300 -12.926 {2hb aglu a 77 0.70 B18.24 1S83H}'a' 22.407 29.006 -13.212 { cb bglu a 77 0.30 B23.28 1S83H}P 'b' 23.486 28.460 -12.794 {2hb bglu a 77 0.30 B23.28 1S83H}'b' 22.653 29.159 -12.956 { cg aglu a 77 0.70 B17.02 1S83H}P 'a' 22.578 27.251 -11.984 {1hg aglu a 77 0.70 B17.02 1S83H}'a' 21.808 26.689 -12.533 { cg bglu a 77 0.30 B23.51 1S83H}P 'b' 23.109 27.540 -11.628 {1hg bglu a 77 0.30 B23.51 1S83H}'b' 22.019 27.393 -11.617 { cg aglu a 77 0.70 B17.02 1S83H}P 'a' 22.578 27.251 -11.984 {2hg aglu a 77 0.70 B17.02 1S83H}'a' 23.347 26.536 -11.656 { cg bglu a 77 0.30 B23.51 1S83H}P 'b' 23.109 27.540 -11.628 {2hg bglu a 77 0.30 B23.51 1S83H}'b' 23.569 26.547 -11.738 { ca gly a 78 B23.87 1S83H}P 25.851 29.898 -16.620 {2ha gly a 78 B23.87 1S83H} 24.993 30.443 -17.041 { cb asn a 79 B23.64 1S83H}P 26.516 33.356 -13.481 {1hb asn a 79 B23.64 1S83H} 26.177 32.634 -12.723 { cb asn a 79 B23.64 1S83H}P 26.516 33.356 -13.481 {2hb asn a 79 B23.64 1S83H} 27.066 34.142 -12.943 { cb glu a 80 B11.81 1S83H}P 30.274 29.081 -12.776 {1hb glu a 80 B11.81 1S83H} 30.326 28.540 -13.732 { cb glu a 80 B11.81 1S83H}P 30.274 29.081 -12.776 {2hb glu a 80 B11.81 1S83H} 31.193 28.846 -12.218 { cg glu a 80 B12.38 1S83H}P 29.101 28.561 -11.937 {1hg glu a 80 B12.38 1S83H} 29.461 27.669 -11.404 { cg glu a 80 B12.38 1S83H}P 29.101 28.561 -11.937 {2hg glu a 80 B12.38 1S83H} 28.821 29.308 -11.180 { cb gln a 81 B9.36 1S83H}P 34.552 32.672 -13.575 {1hb gln a 81 B9.36 1S83H} 34.593 33.041 -12.540 { cb gln a 81 B9.36 1S83H}P 34.552 32.672 -13.575 {2hb gln a 81 B9.36 1S83H} 35.580 32.627 -13.965 { cg gln a 81 B10.31 1S83H}P 33.738 33.657 -14.408 {2hg gln a 81 B10.31 1S83H} 32.686 33.629 -14.088 { ne2 gln a 81 B10.16 1S83H}P 33.368 36.056 -14.185 {1he2 gln a 81 B10.16 1S83H} 32.391 35.843 -14.157 { ne2 gln a 81 B10.16 1S83H}P 33.368 36.056 -14.185 {2he2 gln a 81 B10.16 1S83H} 33.666 37.010 -14.171 { cb phe a 82 B10.38 1S83H}P 35.927 26.922 -12.978 {1hb phe a 82 B10.38 1S83H} 36.031 26.807 -14.067 { cb phe a 82 B10.38 1S83H}P 35.927 26.922 -12.978 {2hb phe a 82 B10.38 1S83H} 36.682 26.284 -12.495 { cd1 phe a 82 B10.18 1S83H}P 33.617 27.089 -11.832 { hd1 phe a 82 B10.18 1S83H} 33.787 28.119 -11.485 { cd2 phe a 82 B13.14 1S83H}P 34.286 25.046 -12.954 { hd2 phe a 82 B13.14 1S83H} 35.035 24.462 -13.509 { ce1 phe a 82 B10.66 1S83H}P 32.386 26.488 -11.501 { he1 phe a 82 B10.66 1S83H} 31.654 27.048 -10.900 { ce2 phe a 82 B14.63 1S83H}P 33.076 24.430 -12.593 { he2 phe a 82 B14.63 1S83H} 32.877 23.384 -12.870 { cz phe a 82 B13.27 1S83H}P 32.134 25.165 -11.878 { hz phe a 82 B13.27 1S83H} 31.181 24.695 -11.594 { cb ile a 83 B9.35 1S83H}P 39.916 31.017 -12.083 { hb ile a 83 B9.35 1S83H} 39.648 31.324 -11.061 { cg1 ile a 83 B10.37 1S83H}P 38.958 31.715 -13.076 {1hg1 ile a 83 B10.37 1S83H} 39.233 31.461 -14.110 { cg1 ile a 83 B10.37 1S83H}P 38.958 31.715 -13.076 {2hg1 ile a 83 B10.37 1S83H} 37.931 31.364 -12.895 { cg2 ile a 83 B8.91 1S83H}P 41.381 31.406 -12.358 {1hg2 ile a 83 B8.91 1S83H} 42.015 31.083 -11.519 { cg2 ile a 83 B8.91 1S83H}P 41.381 31.406 -12.358 {2hg2 ile a 83 B8.91 1S83H} 41.721 30.950 -13.300 { cg2 ile a 83 B8.91 1S83H}P 41.381 31.406 -12.358 {3hg2 ile a 83 B8.91 1S83H} 41.478 32.498 -12.445 { cd1 ile a 83 B10.85 1S83H}P 38.905 33.235 -12.903 {1hd1 ile a 83 B10.85 1S83H} 38.024 33.635 -13.426 { cd1 ile a 83 B10.85 1S83H}P 38.905 33.235 -12.903 {2hd1 ile a 83 B10.85 1S83H} 38.819 33.487 -11.836 { cd1 ile a 83 B10.85 1S83H}P 38.905 33.235 -12.903 {3hd1 ile a 83 B10.85 1S83H} 39.801 33.705 -13.335 { cb asn a 84 B12.91 1S83H}P 43.642 26.531 -11.365 {1hb asn a 84 B12.91 1S83H} 44.133 27.047 -12.203 { cb asn a 84 B12.91 1S83H}P 43.642 26.531 -11.365 {2hb asn a 84 B12.91 1S83H} 44.416 26.181 -10.666 { nd2 asn a 84 B19.60 1S83H}P 43.273 24.751 -13.009 {1hd2 asn a 84 B19.60 1S83H} 44.050 25.138 -13.506 { nd2 asn a 84 B19.60 1S83H}P 43.273 24.751 -13.009 {2hd2 asn a 84 B19.60 1S83H} 42.827 23.922 -13.345 { cb trp a 141 B9.18 1S83H}P 28.246 25.991 0.201 {1hb trp a 141 B9.18 1S83H} 29.344 25.956 0.156 { cb trp a 141 B9.18 1S83H}P 28.246 25.991 0.201 {2hb trp a 141 B9.18 1S83H} 27.879 24.968 0.031 { cd1 trp a 141 B8.07 1S83H}P 26.593 26.612 -1.626 { hd1 trp a 141 B8.07 1S83H} 25.855 25.834 -1.381 { ne1 trp a 141 B8.70 1S83H}P 26.482 27.503 -2.651 { he1 trp a 141 B8.70 1S83H} 25.719 27.526 -3.296 { ce3 trp a 141 B7.43 1S83H}P 29.671 28.549 -1.448 { he3 trp a 141 B7.43 1S83H} 30.319 28.276 -0.602 { cz2 trp a 141 B9.29 1S83H}P 27.938 29.340 -3.589 { hz2 trp a 141 B9.29 1S83H} 27.264 29.650 -4.401 { cz3 trp a 141 B8.93 1S83H}P 30.015 29.567 -2.335 { hz3 trp a 141 B8.93 1S83H} 30.975 30.087 -2.201 { ch2 trp a 141 B9.15 1S83H}P 29.184 29.965 -3.394 { hh2 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