PFRMAT TS TARGET T0476 AUTHOR 4008-1775-0004 METHOD The SAM-T08 hand predictions use methods similar to SAM_T06 in CASP7. METHOD METHOD We start with a fully automated method (implemented as the SAM-T08-server): METHOD METHOD Use the SAM-T2K, SAM-T04, and SAM-T06 methods for finding homologs METHOD of the target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. These neural nets have been newly trained METHOD for CASP8 with an improved training protocol. The neural nets for METHOD the 3 different multiple sequence alignments are independently METHOD trained, so combining them should offer improved performance. METHOD METHOD We currently use 15 local-structure alphabets: METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD STR4 an attempt at an alphabet like STR2, but not requiring DSSP. METHOD This alphabet may be trying to make some irrelevant METHOD distinctions as well. METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD PB de Brevern's protein blocks METHOD METHOD N_NOTOR METHOD N_NOTOR2 METHOD O_NOTOR METHOD O_NOTOR2 alphabets based on the torsion angle of METHOD backbone hydrogen bonds METHOD METHOD N_SEP METHOD O_SEP alphabets based on the separation of donor and METHOD acceptor for backbone hydrogen bonds METHOD METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet with the amino-acid track METHOD having a weight of 1 and the local structure track having a weight METHOD of 0.1 (for backbone alphabets) or 0.3 (for burial alphabets). METHOD We use these HMMs to score a template library of about METHOD 14000 (t06), 16000 (t04), or 18000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. The target HMMs are used to score consensus METHOD sequences for the templates, to get a cheap approximation of METHOD profile-profile scoring, which does not yet work in the SAM package. METHOD METHOD We also used single-track HMMs to score not just the template METHOD library, but a non-redundant copy of the entire PDB. This scoring METHOD is done with real sequences, not consensus sequences. METHOD METHOD All the target HMMs use a new calibration method the provides more METHOD accurate E-values than before, and can be used even with METHOD local-structure alphabets that used to give us trouble (such as METHOD protein blocks). METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. Later this summer, we METHOD hope to be able to use multi-track template HMMs, but we have not METHOD had time to calibrate such models while keeping the code METHOD compatible with the old libraries, so the template libraries METHOD currently use old calibrations, with somewhat optimistic E-values. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment settings on the SAM alignment software. METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. Two different neural net METHOD methods were used, and the results submitted separately. METHOD METHOD CB-CB constraints were extracted from the alignments and a METHOD combinatorial optimization done to choose a most-believable METHOD subset. METHOD METHOD Then the "undertaker" program (named because it originally METHOD optimized burial) is used to try to combine the alignments and the METHOD fragments into a consistent 3D model. No single alignment or METHOD parent template was used as a frozen core, though in many cases METHOD one had much more influence than the others. The alignment scores METHOD were not used by undertaker, but were used only to pick the set METHOD of alignments and fragments that undertaker would see. METHOD METHOD The cost functions used by undertaker rely heavily on the METHOD alignment constraints, on helix and strand constraints generated METHOD from the secondary-structure predictions, and on the neural-net METHOD predictions of local properties that undertaker can measure. METHOD The residue-residue contact predictions are also given to METHOD undertaker, but have less weight. There are also a number of METHOD built-in cost functions (breaks, clashes, burial, ...) that are METHOD included in the cost function. METHOD METHOD The automatic script runs the undertaker-optimized model through METHOD gromacs (to fix small clashes and breaks) and repacks the METHOD sidechains using Rosetta, but these post-undertaker optimizations METHOD are not included in the server predictions. They can be used in METHOD subsequent re-optimization. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD We often do "polishing" runs, where all the current models are read in METHOD and optimization with undertaker's genetic algorithm is done with high METHOD crossover. METHOD METHOD Some improvements in undertaker include better communication with METHOD SCWRL for initial model building form alignments (now using the METHOD standard protocol that identical residues have fixed rotamers, rather METHOD than being reoptimized by SCWRL), more cost functions based on the METHOD neural net predictions, multiple constraint sets (for easier METHOD weighting of the importance of different constraints), and some new METHOD conformation-change operators (Backrub and BigBackrub). METHOD METHOD We also created model-quality-assessment methods for CASP8, which we METHOD are applying to the server predictions. We do two optimizations from the METHOD top 10 models with two of the MQA methods, and consider these models METHOD as possible alternatives to our natively-generated models. METHOD METHOD METHOD This Pyrococcus target is an ORFan (only almost identical sequences METHOD from Pyrococcus and Thermococcus species found). That means that the METHOD HMMs and neural nets are not nearly as effective as usual in METHOD predicting remote homologs and local structure. METHOD METHOD We ended up with no decent models from SAM+undertaker, so were reduced METHOD to using only metaserver predictions. We expected the four CYS METHOD residues to cluster, mostly likely as a zinc-binding site, though with METHOD a hyperthermophile protein, a pair of disulfides is possible. METHOD METHOD Searching the server models for possible zinc-binding sites came up METHOD with three potential models, which were further optimized to improve METHOD the binding site and packing. METHOD METHOD Firas Khatib and Josue Samayoa assisted on predicting the structure METHOD for this protein. METHOD METHOD Model METHOD METHOD 1 T0476.try12-opt3.pdb # < T0476.try8-opt3 < BAKER-ROBETTA_TS5 #best scoring with try12.costfcn METHOD METHOD 2 T0476.try10-opt3.gromacs0.repack-nonPC.pdb # < T0476.try5-opt3 < try2-opt3 < MQAU1-opt3.gromacs0 < BAKER-ROBETTA_TS5 METHOD # best Rosetta energy METHOD METHOD 3 T0476.try11-opt3.pdb # < T0476.MQAY6-opt3 < BAKER-ROBETTA_TS2 METHOD METHOD 4 T0476.MQAY6-opt3.pdb # < BAKER-ROBETTA_TS2 METHOD METHOD 5 T0476.MQAY13-opt3.pdb # < RBO-Proteus_TS1 METHOD METHOD METHOD METHOD REMARK 6 REMARK 6 T0476 model 5 Fri Jul 25 17:24:01 2008 MODEL 5 PARENT N/A ATOM 1 N SER 1 34.729 27.654 11.771 1.00 0.00 ATOM 2 CA SER 1 34.542 27.059 10.414 1.00 0.00 ATOM 3 CB SER 1 33.825 28.017 9.502 1.00 0.00 ATOM 4 OG SER 1 33.688 27.492 8.211 1.00 0.00 ATOM 5 O SER 1 35.972 25.394 9.445 1.00 0.00 ATOM 6 C SER 1 35.858 26.560 9.827 1.00 0.00 ATOM 7 N ALA 2 36.850 27.441 9.758 1.00 0.00 ATOM 8 CA ALA 2 38.143 27.071 9.220 1.00 0.00 ATOM 9 CB ALA 2 39.034 28.305 9.177 1.00 0.00 ATOM 10 O ALA 2 39.399 25.035 9.396 1.00 0.00 ATOM 11 C ALA 2 38.797 25.929 9.991 1.00 0.00 ATOM 12 N LYS 3 38.677 25.961 11.314 1.00 0.00 ATOM 13 CA LYS 3 39.251 24.937 12.128 1.00 0.00 ATOM 14 CB LYS 3 40.426 26.059 12.893 1.00 0.00 ATOM 15 CG LYS 3 41.177 27.013 11.958 1.00 0.00 ATOM 16 CD LYS 3 42.337 26.349 11.208 1.00 0.00 ATOM 17 CE LYS 3 43.452 27.337 10.815 1.00 0.00 ATOM 18 NZ LYS 3 43.113 28.687 10.211 1.00 0.00 ATOM 19 O LYS 3 38.520 22.947 13.249 1.00 0.00 ATOM 20 C LYS 3 38.196 23.958 12.625 1.00 0.00 ATOM 21 N CYS 4 36.930 24.258 12.348 1.00 0.00 ATOM 22 CA CYS 4 35.837 23.391 12.773 1.00 0.00 ATOM 23 CB CYS 4 35.496 23.781 14.211 1.00 0.00 ATOM 24 SG CYS 4 35.057 25.520 14.432 1.00 0.00 ATOM 25 O CYS 4 33.643 24.212 12.254 1.00 0.00 ATOM 26 C CYS 4 34.624 23.573 11.871 1.00 0.00 ATOM 27 N PRO 5 34.682 22.982 10.681 1.00 0.00 ATOM 28 CA PRO 5 33.594 23.092 9.718 1.00 0.00 ATOM 29 CB PRO 5 34.007 22.155 8.577 1.00 0.00 ATOM 30 CG PRO 5 35.494 22.087 8.673 1.00 0.00 ATOM 31 CD PRO 5 35.802 22.152 10.146 1.00 0.00 ATOM 32 O PRO 5 31.214 23.241 9.981 1.00 0.00 ATOM 33 C PRO 5 32.260 22.698 10.337 1.00 0.00 ATOM 34 N ILE 6 32.300 21.749 11.266 1.00 0.00 ATOM 35 CA ILE 6 31.090 21.257 11.914 1.00 0.00 ATOM 36 CB ILE 6 31.397 20.092 12.871 1.00 0.00 ATOM 37 CG1 ILE 6 31.859 18.861 12.085 1.00 0.00 ATOM 38 CG2 ILE 6 30.173 19.760 13.713 1.00 0.00 ATOM 39 CD1 ILE 6 32.426 17.760 12.952 1.00 0.00 ATOM 40 O ILE 6 29.163 22.507 12.610 1.00 0.00 ATOM 41 C ILE 6 30.384 22.364 12.686 1.00 0.00 ATOM 42 N CYS 7 31.326 23.204 13.133 1.00 0.00 ATOM 43 CA CYS 7 31.018 24.348 13.985 1.00 0.00 ATOM 44 CB CYS 7 32.218 24.698 14.866 1.00 0.00 ATOM 45 SG CYS 7 32.631 23.443 16.100 1.00 0.00 ATOM 46 O CYS 7 30.120 26.549 13.666 1.00 0.00 ATOM 47 C CYS 7 30.669 25.575 13.152 1.00 0.00 ATOM 48 N GLY 8 30.991 25.522 11.864 1.00 0.00 ATOM 49 CA GLY 8 30.649 26.600 10.943 1.00 0.00 ATOM 50 O GLY 8 28.538 27.705 10.658 1.00 0.00 ATOM 51 C GLY 8 29.149 26.636 10.672 1.00 0.00 ATOM 52 N SER 9 28.564 25.463 10.457 1.00 0.00 ATOM 53 CA SER 9 27.122 25.351 10.271 1.00 0.00 ATOM 54 CB SER 9 26.763 23.949 9.818 1.00 0.00 ATOM 55 OG SER 9 25.379 23.778 9.685 1.00 0.00 ATOM 56 O SER 9 26.659 25.214 12.616 1.00 0.00 ATOM 57 C SER 9 26.353 25.722 11.542 1.00 0.00 ATOM 58 N PRO 10 25.389 26.590 11.413 1.00 0.00 ATOM 59 CA PRO 10 24.583 26.998 12.572 1.00 0.00 ATOM 60 CB PRO 10 23.758 28.177 12.035 1.00 0.00 ATOM 61 CG PRO 10 23.714 27.989 10.556 1.00 0.00 ATOM 62 CD PRO 10 24.959 27.255 10.169 1.00 0.00 ATOM 63 O PRO 10 23.147 25.095 12.302 1.00 0.00 ATOM 64 C PRO 10 23.685 25.880 13.084 1.00 0.00 ATOM 65 N LEU 11 23.526 25.812 14.401 1.00 0.00 ATOM 66 CA LEU 11 22.625 24.843 15.016 1.00 0.00 ATOM 67 CB LEU 11 23.421 23.653 15.565 1.00 0.00 ATOM 68 CG LEU 11 22.573 22.505 16.127 1.00 0.00 ATOM 69 CD1 LEU 11 21.655 21.955 15.041 1.00 0.00 ATOM 70 CD2 LEU 11 23.487 21.413 16.664 1.00 0.00 ATOM 71 O LEU 11 22.286 25.609 17.264 1.00 0.00 ATOM 72 C LEU 11 21.840 25.542 16.119 1.00 0.00 ATOM 73 N LYS 12 20.670 26.064 15.765 1.00 0.00 ATOM 74 CA LYS 12 19.913 26.926 16.666 1.00 0.00 ATOM 75 CB LYS 12 18.824 27.695 15.916 1.00 0.00 ATOM 76 CG LYS 12 19.352 28.730 14.930 1.00 0.00 ATOM 77 CD LYS 12 18.213 29.458 14.230 1.00 0.00 ATOM 78 CE LYS 12 18.738 30.429 13.184 1.00 0.00 ATOM 79 NZ LYS 12 17.635 31.156 12.497 1.00 0.00 ATOM 80 O LYS 12 18.722 25.033 17.535 1.00 0.00 ATOM 81 C LYS 12 19.283 26.100 17.783 1.00 0.00 ATOM 82 N TRP 13 19.377 26.596 19.013 1.00 0.00 ATOM 83 CA TRP 13 18.809 25.892 20.153 1.00 0.00 ATOM 84 CB TRP 13 19.178 26.615 21.451 1.00 0.00 ATOM 85 CG TRP 13 20.357 26.013 22.158 1.00 0.00 ATOM 86 CD1 TRP 13 20.383 25.530 23.430 1.00 0.00 ATOM 87 CD2 TRP 13 21.676 25.831 21.630 1.00 0.00 ATOM 88 CE2 TRP 13 22.449 25.232 22.639 1.00 0.00 ATOM 89 CE3 TRP 13 22.278 26.118 20.397 1.00 0.00 ATOM 90 NE1 TRP 13 21.638 25.059 23.732 1.00 0.00 ATOM 91 CZ2 TRP 13 23.787 24.915 22.462 1.00 0.00 ATOM 92 CZ3 TRP 13 23.618 25.799 20.220 1.00 0.00 ATOM 93 CH2 TRP 13 24.351 25.215 21.222 1.00 0.00 ATOM 94 O TRP 13 16.690 24.814 20.448 1.00 0.00 ATOM 95 C TRP 13 17.291 25.832 20.102 1.00 0.00 ATOM 96 N GLU 14 16.668 26.923 19.668 1.00 0.00 ATOM 97 CA GLU 14 15.214 26.976 19.575 1.00 0.00 ATOM 98 CB GLU 14 14.764 28.286 18.974 1.00 0.00 ATOM 99 CG GLU 14 15.105 29.494 19.866 1.00 0.00 ATOM 100 CD GLU 14 14.524 30.818 19.364 1.00 0.00 ATOM 101 OE1 GLU 14 14.372 30.996 18.122 1.00 0.00 ATOM 102 OE2 GLU 14 14.228 31.682 20.233 1.00 0.00 ATOM 103 O GLU 14 13.731 25.168 19.042 1.00 0.00 ATOM 104 C GLU 14 14.648 25.895 18.663 1.00 0.00 ATOM 105 N GLU 15 15.202 25.793 17.459 1.00 0.00 ATOM 106 CA GLU 15 14.656 24.910 16.436 1.00 0.00 ATOM 107 CB GLU 15 15.361 25.139 15.098 1.00 0.00 ATOM 108 CG GLU 15 15.035 26.469 14.435 1.00 0.00 ATOM 109 CD GLU 15 15.815 26.653 13.164 1.00 0.00 ATOM 110 OE1 GLU 15 16.612 25.801 12.849 1.00 0.00 ATOM 111 OE2 GLU 15 15.538 27.587 12.448 1.00 0.00 ATOM 112 O GLU 15 13.799 22.703 16.832 1.00 0.00 ATOM 113 C GLU 15 14.778 23.448 16.849 1.00 0.00 ATOM 114 N LEU 16 15.993 23.064 17.219 1.00 0.00 ATOM 115 CA LEU 16 16.257 21.642 17.524 1.00 0.00 ATOM 116 CB LEU 16 17.771 21.446 17.678 1.00 0.00 ATOM 117 CG LEU 16 18.221 19.997 17.908 1.00 0.00 ATOM 118 CD1 LEU 16 17.785 19.123 16.740 1.00 0.00 ATOM 119 CD2 LEU 16 19.731 19.955 18.080 1.00 0.00 ATOM 120 O LEU 16 14.931 20.160 18.866 1.00 0.00 ATOM 121 C LEU 16 15.549 21.224 18.808 1.00 0.00 ATOM 122 N ILE 17 15.638 22.062 19.836 1.00 0.00 ATOM 123 CA ILE 17 14.999 21.765 21.109 1.00 0.00 ATOM 124 CB ILE 17 15.389 22.802 22.178 1.00 0.00 ATOM 125 CG1 ILE 17 16.877 22.682 22.518 1.00 0.00 ATOM 126 CG2 ILE 17 14.538 22.629 23.426 1.00 0.00 ATOM 127 CD1 ILE 17 17.400 23.812 23.375 1.00 0.00 ATOM 128 O ILE 17 12.846 20.824 21.593 1.00 0.00 ATOM 129 C ILE 17 13.478 21.700 21.004 1.00 0.00 ATOM 130 N GLU 18 12.896 22.629 20.253 1.00 0.00 ATOM 131 CA GLU 18 11.425 22.667 20.073 1.00 0.00 ATOM 132 CB GLU 18 11.018 23.877 19.228 1.00 0.00 ATOM 133 CG GLU 18 9.521 23.997 18.982 1.00 0.00 ATOM 134 CD GLU 18 9.197 25.220 18.169 1.00 0.00 ATOM 135 OE1 GLU 18 10.104 25.944 17.834 1.00 0.00 ATOM 136 OE2 GLU 18 8.061 25.370 17.785 1.00 0.00 ATOM 137 O GLU 18 9.976 20.743 19.884 1.00 0.00 ATOM 138 C GLU 18 10.925 21.364 19.404 1.00 0.00 ATOM 139 N GLU 19 11.566 20.967 18.309 1.00 0.00 ATOM 140 CA GLU 19 11.177 19.751 17.604 1.00 0.00 ATOM 141 CB GLU 19 11.948 19.635 16.268 1.00 0.00 ATOM 142 CG GLU 19 11.688 18.338 15.509 1.00 0.00 ATOM 143 CD GLU 19 10.251 18.201 15.037 1.00 0.00 ATOM 144 OE1 GLU 19 9.614 19.239 14.745 1.00 0.00 ATOM 145 OE2 GLU 19 9.765 17.050 14.935 1.00 0.00 ATOM 146 O GLU 19 10.439 17.679 18.562 1.00 0.00 ATOM 147 C GLU 19 11.311 18.548 18.532 1.00 0.00 ATOM 148 N MET 20 12.402 18.501 19.290 1.00 0.00 ATOM 149 CA MET 20 12.631 17.400 20.213 1.00 0.00 ATOM 150 CB MET 20 14.085 17.374 20.738 1.00 0.00 ATOM 151 CG MET 20 15.065 17.263 19.586 1.00 0.00 ATOM 152 SD MET 20 16.757 16.845 20.078 1.00 0.00 ATOM 153 CE MET 20 17.422 18.465 20.567 1.00 0.00 ATOM 154 O MET 20 11.205 16.381 21.851 1.00 0.00 ATOM 155 C MET 20 11.640 17.428 21.370 1.00 0.00 ATOM 156 N LEU 21 11.286 18.630 21.811 1.00 0.00 ATOM 157 CA LEU 21 10.436 18.796 22.984 1.00 0.00 ATOM 158 CB LEU 21 10.336 20.278 23.367 1.00 0.00 ATOM 159 CG LEU 21 9.661 20.559 24.716 1.00 0.00 ATOM 160 CD1 LEU 21 9.898 22.006 25.126 1.00 0.00 ATOM 161 CD2 LEU 21 8.173 20.265 24.611 1.00 0.00 ATOM 162 O LEU 21 8.487 17.520 23.539 1.00 0.00 ATOM 163 C LEU 21 9.046 18.243 22.714 1.00 0.00 ATOM 164 N ILE 22 8.487 18.581 21.556 1.00 0.00 ATOM 165 CA ILE 22 7.157 18.106 21.191 1.00 0.00 ATOM 166 CB ILE 22 6.665 18.819 19.919 1.00 0.00 ATOM 167 CG1 ILE 22 7.541 18.441 18.721 1.00 0.00 ATOM 168 CG2 ILE 22 6.659 20.326 20.124 1.00 0.00 ATOM 169 CD1 ILE 22 7.038 18.983 17.403 1.00 0.00 ATOM 170 O ILE 22 5.973 16.049 20.848 1.00 0.00 ATOM 171 C ILE 22 7.067 16.598 20.985 1.00 0.00 ATOM 172 N ILE 23 8.216 15.931 20.962 1.00 0.00 ATOM 173 CA ILE 23 8.247 14.487 20.773 1.00 0.00 ATOM 174 CB ILE 23 9.348 14.088 19.773 1.00 0.00 ATOM 175 CG1 ILE 23 9.053 14.677 18.392 1.00 0.00 ATOM 176 CG2 ILE 23 9.474 12.575 19.696 1.00 0.00 ATOM 177 CD1 ILE 23 10.183 14.507 17.402 1.00 0.00 ATOM 178 O ILE 23 7.821 12.786 22.403 1.00 0.00 ATOM 179 C ILE 23 8.522 13.742 22.067 1.00 0.00 ATOM 180 N GLU 24 9.542 14.179 22.798 1.00 0.00 ATOM 181 CA GLU 24 9.896 13.541 24.060 1.00 0.00 ATOM 182 CB GLU 24 11.398 13.744 24.271 1.00 0.00 ATOM 183 CG GLU 24 12.271 13.178 23.163 1.00 0.00 ATOM 184 CD GLU 24 12.094 11.690 23.033 1.00 0.00 ATOM 185 OE1 GLU 24 12.257 11.004 24.013 1.00 0.00 ATOM 186 OE2 GLU 24 11.688 11.250 21.984 1.00 0.00 ATOM 187 O GLU 24 8.457 15.041 25.258 1.00 0.00 ATOM 188 C GLU 24 9.109 13.997 25.282 1.00 0.00 ATOM 189 N ASN 25 9.171 13.206 26.348 1.00 0.00 ATOM 190 CA ASN 25 8.542 13.572 27.611 1.00 0.00 ATOM 191 CB ASN 25 8.051 12.352 28.369 1.00 0.00 ATOM 192 CG ASN 25 9.158 11.495 28.917 1.00 0.00 ATOM 193 ND2 ASN 25 8.812 10.282 29.267 1.00 0.00 ATOM 194 OD1 ASN 25 10.325 11.901 28.954 1.00 0.00 ATOM 195 O ASN 25 10.596 14.738 28.025 1.00 0.00 ATOM 196 C ASN 25 9.496 14.402 28.461 1.00 0.00 ATOM 197 N PHE 26 9.066 14.729 29.674 1.00 0.00 ATOM 198 CA PHE 26 9.802 15.661 30.522 1.00 0.00 ATOM 199 CB PHE 26 9.100 15.830 31.870 1.00 0.00 ATOM 200 CG PHE 26 9.872 16.660 32.856 1.00 0.00 ATOM 201 CD1 PHE 26 9.867 18.044 32.772 1.00 0.00 ATOM 202 CD2 PHE 26 10.604 16.058 33.868 1.00 0.00 ATOM 203 CE1 PHE 26 10.578 18.809 33.679 1.00 0.00 ATOM 204 CE2 PHE 26 11.315 16.820 34.776 1.00 0.00 ATOM 205 CZ PHE 26 11.300 18.197 34.680 1.00 0.00 ATOM 206 O PHE 26 12.198 15.892 30.505 1.00 0.00 ATOM 207 C PHE 26 11.229 15.161 30.736 1.00 0.00 ATOM 208 N GLU 27 11.359 13.912 31.167 1.00 0.00 ATOM 209 CA GLU 27 12.668 13.416 31.570 1.00 0.00 ATOM 210 CB GLU 27 12.509 12.058 32.256 1.00 0.00 ATOM 211 CG GLU 27 11.875 12.121 33.637 1.00 0.00 ATOM 212 CD GLU 27 11.639 10.745 34.194 1.00 0.00 ATOM 213 OE1 GLU 27 11.893 9.791 33.497 1.00 0.00 ATOM 214 OE2 GLU 27 11.313 10.642 35.353 1.00 0.00 ATOM 215 O GLU 27 14.779 13.607 30.445 1.00 0.00 ATOM 216 C GLU 27 13.591 13.290 30.367 1.00 0.00 ATOM 217 N GLU 28 13.040 12.825 29.250 1.00 0.00 ATOM 218 CA GLU 28 13.824 12.614 28.039 1.00 0.00 ATOM 219 CB GLU 28 13.149 11.665 27.036 1.00 0.00 ATOM 220 CG GLU 28 13.130 10.238 27.535 1.00 0.00 ATOM 221 CD GLU 28 12.151 9.292 26.832 1.00 0.00 ATOM 222 OE1 GLU 28 11.184 9.743 26.185 1.00 0.00 ATOM 223 OE2 GLU 28 12.347 8.082 26.971 1.00 0.00 ATOM 224 O GLU 28 15.268 14.035 26.755 1.00 0.00 ATOM 225 C GLU 28 14.227 13.939 27.404 1.00 0.00 ATOM 226 N ILE 29 13.396 14.957 27.598 1.00 0.00 ATOM 227 CA ILE 29 13.734 16.311 27.174 1.00 0.00 ATOM 228 CB ILE 29 12.554 17.278 27.381 1.00 0.00 ATOM 229 CG1 ILE 29 11.437 16.982 26.376 1.00 0.00 ATOM 230 CG2 ILE 29 13.019 18.721 27.255 1.00 0.00 ATOM 231 CD1 ILE 29 10.117 17.632 26.721 1.00 0.00 ATOM 232 O ILE 29 15.883 17.366 27.355 1.00 0.00 ATOM 233 C ILE 29 14.950 16.817 27.938 1.00 0.00 ATOM 234 N VAL 30 14.928 16.615 29.233 1.00 0.00 ATOM 235 CA VAL 30 16.051 17.054 30.047 1.00 0.00 ATOM 236 CB VAL 30 15.786 16.766 31.538 1.00 0.00 ATOM 237 CG1 VAL 30 17.055 16.966 32.352 1.00 0.00 ATOM 238 CG2 VAL 30 14.671 17.658 32.063 1.00 0.00 ATOM 239 O VAL 30 18.377 16.948 29.471 1.00 0.00 ATOM 240 C VAL 30 17.319 16.335 29.605 1.00 0.00 ATOM 241 N LYS 31 17.206 15.030 29.381 1.00 0.00 ATOM 242 CA LYS 31 18.338 14.229 28.931 1.00 0.00 ATOM 243 CB LYS 31 17.940 12.756 28.818 1.00 0.00 ATOM 244 CG LYS 31 17.647 12.080 30.151 1.00 0.00 ATOM 245 CD LYS 31 17.166 10.650 29.951 1.00 0.00 ATOM 246 CE LYS 31 16.663 10.048 31.255 1.00 0.00 ATOM 247 NZ LYS 31 16.093 8.688 31.056 1.00 0.00 ATOM 248 O LYS 31 20.066 14.941 27.421 1.00 0.00 ATOM 249 C LYS 31 18.862 14.734 27.590 1.00 0.00 ATOM 250 N ASP 32 17.967 14.941 26.637 1.00 0.00 ATOM 251 CA ASP 32 18.368 15.407 25.318 1.00 0.00 ATOM 252 CB ASP 32 17.174 15.335 24.363 1.00 0.00 ATOM 253 CG ASP 32 16.789 13.921 23.946 1.00 0.00 ATOM 254 OD1 ASP 32 17.558 13.021 24.186 1.00 0.00 ATOM 255 OD2 ASP 32 15.668 13.729 23.535 1.00 0.00 ATOM 256 O ASP 32 19.811 17.158 24.562 1.00 0.00 ATOM 257 C ASP 32 18.939 16.816 25.365 1.00 0.00 ATOM 258 N ARG 33 18.439 17.654 26.297 1.00 0.00 ATOM 259 CA ARG 33 18.994 18.989 26.425 1.00 0.00 ATOM 260 CB ARG 33 18.118 19.834 27.340 1.00 0.00 ATOM 261 CG ARG 33 16.851 20.373 26.696 1.00 0.00 ATOM 262 CD ARG 33 16.012 21.204 27.595 1.00 0.00 ATOM 263 NE ARG 33 14.843 21.790 26.959 1.00 0.00 ATOM 264 CZ ARG 33 13.979 22.625 27.568 1.00 0.00 ATOM 265 NH1 ARG 33 14.125 22.946 28.835 1.00 0.00 ATOM 266 NH2 ARG 33 12.966 23.096 26.864 1.00 0.00 ATOM 267 O ARG 33 21.333 19.699 26.339 1.00 0.00 ATOM 268 C ARG 33 20.475 18.938 26.840 1.00 0.00 ATOM 269 N GLU 34 20.784 18.014 27.738 1.00 0.00 ATOM 270 CA GLU 34 22.141 17.840 28.239 1.00 0.00 ATOM 271 CB GLU 34 22.156 16.898 29.444 1.00 0.00 ATOM 272 CG GLU 34 21.534 17.481 30.705 1.00 0.00 ATOM 273 CD GLU 34 21.474 16.460 31.807 1.00 0.00 ATOM 274 OE1 GLU 34 21.840 15.334 31.568 1.00 0.00 ATOM 275 OE2 GLU 34 21.171 16.829 32.916 1.00 0.00 ATOM 276 O GLU 34 24.192 17.835 26.994 1.00 0.00 ATOM 277 C GLU 34 23.075 17.338 27.144 1.00 0.00 ATOM 278 N ARG 35 22.617 16.352 26.379 1.00 0.00 ATOM 279 CA ARG 35 23.424 15.796 25.300 1.00 0.00 ATOM 280 CB ARG 35 22.852 14.481 24.788 1.00 0.00 ATOM 281 CG ARG 35 22.966 13.315 25.755 1.00 0.00 ATOM 282 CD ARG 35 22.271 12.080 25.309 1.00 0.00 ATOM 283 NE ARG 35 22.337 10.976 26.253 1.00 0.00 ATOM 284 CZ ARG 35 21.676 9.810 26.115 1.00 0.00 ATOM 285 NH1 ARG 35 20.871 9.605 25.097 1.00 0.00 ATOM 286 NH2 ARG 35 21.841 8.886 27.045 1.00 0.00 ATOM 287 O ARG 35 24.655 16.839 23.511 1.00 0.00 ATOM 288 C ARG 35 23.607 16.802 24.158 1.00 0.00 ATOM 289 N PHE 36 22.571 17.593 23.933 1.00 0.00 ATOM 290 CA PHE 36 22.613 18.624 22.893 1.00 0.00 ATOM 291 CB PHE 36 21.302 19.412 22.863 1.00 0.00 ATOM 292 CG PHE 36 21.319 20.580 21.918 1.00 0.00 ATOM 293 CD1 PHE 36 22.386 20.776 21.053 1.00 0.00 ATOM 294 CD2 PHE 36 20.269 21.485 21.891 1.00 0.00 ATOM 295 CE1 PHE 36 22.403 21.849 20.183 1.00 0.00 ATOM 296 CE2 PHE 36 20.282 22.558 21.021 1.00 0.00 ATOM 297 CZ PHE 36 21.352 22.741 20.167 1.00 0.00 ATOM 298 O PHE 36 24.760 19.581 22.419 1.00 0.00 ATOM 299 C PHE 36 23.824 19.493 23.211 1.00 0.00 ATOM 300 N LEU 37 23.798 20.132 24.376 1.00 0.00 ATOM 301 CA LEU 37 24.884 21.009 24.793 1.00 0.00 ATOM 302 CB LEU 37 24.553 21.642 26.150 1.00 0.00 ATOM 303 CG LEU 37 25.563 22.684 26.648 1.00 0.00 ATOM 304 CD1 LEU 37 25.672 23.825 25.646 1.00 0.00 ATOM 305 CD2 LEU 37 25.129 23.202 28.011 1.00 0.00 ATOM 306 O LEU 37 27.268 20.908 24.557 1.00 0.00 ATOM 307 C LEU 37 26.240 20.325 24.906 1.00 0.00 ATOM 308 N ALA 38 26.242 19.089 25.395 1.00 0.00 ATOM 309 CA ALA 38 27.483 18.339 25.548 1.00 0.00 ATOM 310 CB ALA 38 27.201 16.960 26.124 1.00 0.00 ATOM 311 O ALA 38 29.424 18.424 24.140 1.00 0.00 ATOM 312 C ALA 38 28.214 18.221 24.215 1.00 0.00 ATOM 313 N GLN 39 27.468 17.892 23.165 1.00 0.00 ATOM 314 CA GLN 39 28.055 17.659 21.851 1.00 0.00 ATOM 315 CB GLN 39 26.998 17.132 20.877 1.00 0.00 ATOM 316 CG GLN 39 26.599 15.686 21.115 1.00 0.00 ATOM 317 CD GLN 39 25.424 15.261 20.253 1.00 0.00 ATOM 318 OE1 GLN 39 24.853 16.069 19.516 1.00 0.00 ATOM 319 NE2 GLN 39 25.055 13.988 20.344 1.00 0.00 ATOM 320 O GLN 39 29.826 18.962 20.878 1.00 0.00 ATOM 321 C GLN 39 28.667 18.938 21.301 1.00 0.00 ATOM 322 N VAL 40 27.890 19.993 21.274 1.00 0.00 ATOM 323 CA VAL 40 28.365 21.283 20.755 1.00 0.00 ATOM 324 CB VAL 40 27.190 22.269 20.614 1.00 0.00 ATOM 325 CG1 VAL 40 26.109 21.684 19.718 1.00 0.00 ATOM 326 CG2 VAL 40 26.618 22.617 21.979 1.00 0.00 ATOM 327 O VAL 40 30.388 22.552 21.070 1.00 0.00 ATOM 328 C VAL 40 29.506 21.861 21.594 1.00 0.00 ATOM 329 N GLU 41 29.508 21.555 22.900 1.00 0.00 ATOM 330 CA GLU 41 30.572 22.040 23.774 1.00 0.00 ATOM 331 CB GLU 41 30.223 21.753 25.235 1.00 0.00 ATOM 332 CG GLU 41 29.277 22.765 25.867 1.00 0.00 ATOM 333 CD GLU 41 29.871 24.146 25.861 1.00 0.00 ATOM 334 OE1 GLU 41 30.978 24.297 26.316 1.00 0.00 ATOM 335 OE2 GLU 41 29.265 25.029 25.300 1.00 0.00 ATOM 336 O GLU 41 32.945 22.015 23.421 1.00 0.00 ATOM 337 C GLU 41 31.894 21.374 23.411 1.00 0.00 ATOM 338 N GLU 42 31.834 20.087 23.092 1.00 0.00 ATOM 339 CA GLU 42 33.010 19.355 22.634 1.00 0.00 ATOM 340 CB GLU 42 32.700 17.861 22.519 1.00 0.00 ATOM 341 CG GLU 42 32.532 17.148 23.852 1.00 0.00 ATOM 342 CD GLU 42 32.018 15.748 23.663 1.00 0.00 ATOM 343 OE1 GLU 42 31.722 15.389 22.550 1.00 0.00 ATOM 344 OE2 GLU 42 32.029 15.000 24.613 1.00 0.00 ATOM 345 O GLU 42 34.708 20.059 21.094 1.00 0.00 ATOM 346 C GLU 42 33.506 19.892 21.298 1.00 0.00 ATOM 347 N PHE 43 32.574 20.161 20.389 1.00 0.00 ATOM 348 CA PHE 43 32.917 20.666 19.066 1.00 0.00 ATOM 349 CB PHE 43 31.676 20.706 18.172 1.00 0.00 ATOM 350 CG PHE 43 31.269 19.363 17.638 1.00 0.00 ATOM 351 CD1 PHE 43 32.175 18.570 16.951 1.00 0.00 ATOM 352 CD2 PHE 43 29.978 18.889 17.822 1.00 0.00 ATOM 353 CE1 PHE 43 31.802 17.333 16.461 1.00 0.00 ATOM 354 CE2 PHE 43 29.602 17.653 17.333 1.00 0.00 ATOM 355 CZ PHE 43 30.515 16.874 16.652 1.00 0.00 ATOM 356 O PHE 43 34.578 22.327 18.577 1.00 0.00 ATOM 357 C PHE 43 33.532 22.058 19.170 1.00 0.00 ATOM 358 N VAL 44 32.884 22.939 19.924 1.00 0.00 ATOM 359 CA VAL 44 33.382 24.296 20.096 1.00 0.00 ATOM 360 CB VAL 44 32.372 25.164 20.870 1.00 0.00 ATOM 361 CG1 VAL 44 33.008 26.483 21.282 1.00 0.00 ATOM 362 CG2 VAL 44 31.129 25.413 20.030 1.00 0.00 ATOM 363 O VAL 44 35.648 24.995 20.447 1.00 0.00 ATOM 364 C VAL 44 34.721 24.275 20.821 1.00 0.00 ATOM 365 N PHE 45 34.823 23.449 21.857 1.00 0.00 ATOM 366 CA PHE 45 36.060 23.346 22.623 1.00 0.00 ATOM 367 CB PHE 45 35.897 22.291 23.718 1.00 0.00 ATOM 368 CG PHE 45 37.147 22.044 24.513 1.00 0.00 ATOM 369 CD1 PHE 45 37.528 22.916 25.523 1.00 0.00 ATOM 370 CD2 PHE 45 37.947 20.941 24.252 1.00 0.00 ATOM 371 CE1 PHE 45 38.679 22.691 26.254 1.00 0.00 ATOM 372 CE2 PHE 45 39.096 20.712 24.983 1.00 0.00 ATOM 373 CZ PHE 45 39.463 21.588 25.984 1.00 0.00 ATOM 374 O PHE 45 38.249 23.573 21.738 1.00 0.00 ATOM 375 C PHE 45 37.187 22.954 21.705 1.00 0.00 ATOM 376 N LYS 46 37.025 21.922 20.874 1.00 0.00 ATOM 377 CA LYS 46 38.184 21.451 20.105 1.00 0.00 ATOM 378 CB LYS 46 37.804 20.111 19.475 1.00 0.00 ATOM 379 CG LYS 46 37.713 18.955 20.464 1.00 0.00 ATOM 380 CD LYS 46 37.289 17.668 19.772 1.00 0.00 ATOM 381 CE LYS 46 37.143 16.526 20.766 1.00 0.00 ATOM 382 NZ LYS 46 36.732 15.260 20.103 1.00 0.00 ATOM 383 O LYS 46 39.760 22.663 18.763 1.00 0.00 ATOM 384 C LYS 46 38.577 22.447 19.021 1.00 0.00 ATOM 385 N CYS 47 37.576 23.050 18.389 1.00 0.00 ATOM 386 CA CYS 47 37.814 23.978 17.288 1.00 0.00 ATOM 387 CB CYS 47 36.482 23.958 16.538 1.00 0.00 ATOM 388 SG CYS 47 36.050 22.353 15.822 1.00 0.00 ATOM 389 O CYS 47 37.487 25.829 18.802 1.00 0.00 ATOM 390 C CYS 47 38.157 25.378 17.839 1.00 0.00 ATOM 391 N PRO 48 39.051 26.035 17.171 1.00 0.00 ATOM 392 CA PRO 48 39.288 27.477 17.417 1.00 0.00 ATOM 393 CB PRO 48 40.321 27.845 16.331 1.00 0.00 ATOM 394 CG PRO 48 41.141 26.592 16.172 1.00 0.00 ATOM 395 CD PRO 48 40.048 25.489 16.214 1.00 0.00 ATOM 396 O PRO 48 38.148 29.455 18.155 1.00 0.00 ATOM 397 C PRO 48 38.169 28.511 17.363 1.00 0.00 ATOM 398 N VAL 49 37.239 28.333 16.430 1.00 0.00 ATOM 399 CA VAL 49 36.125 29.258 16.290 1.00 0.00 ATOM 400 CB VAL 49 36.308 30.215 15.106 1.00 0.00 ATOM 401 CG1 VAL 49 37.443 31.194 15.361 1.00 0.00 ATOM 402 CG2 VAL 49 36.544 29.412 13.833 1.00 0.00 ATOM 403 O VAL 49 34.923 27.438 15.267 1.00 0.00 ATOM 404 C VAL 49 34.864 28.528 15.849 1.00 0.00 ATOM 405 N CYS 50 33.938 29.233 16.155 1.00 0.00 ATOM 406 CA CYS 50 32.603 28.752 15.825 1.00 0.00 ATOM 407 CB CYS 50 32.081 27.903 17.026 1.00 0.00 ATOM 408 SG CYS 50 33.317 26.678 17.523 1.00 0.00 ATOM 409 O CYS 50 31.843 31.026 15.750 1.00 0.00 ATOM 410 C CYS 50 31.589 29.846 15.507 1.00 0.00 ATOM 411 N GLY 51 30.440 29.453 14.966 1.00 0.00 ATOM 412 CA GLY 51 29.401 30.413 14.625 1.00 0.00 ATOM 413 O GLY 51 28.597 29.946 16.835 1.00 0.00 ATOM 414 C GLY 51 28.568 30.705 15.865 1.00 0.00 ATOM 415 N GLU 52 27.823 31.805 15.834 1.00 0.00 ATOM 416 CA GLU 52 26.983 32.182 16.964 1.00 0.00 ATOM 417 CB GLU 52 26.478 33.606 16.715 1.00 0.00 ATOM 418 CG GLU 52 27.572 34.662 16.668 1.00 0.00 ATOM 419 CD GLU 52 27.010 36.018 16.347 1.00 0.00 ATOM 420 OE1 GLU 52 26.316 36.135 15.365 1.00 0.00 ATOM 421 OE2 GLU 52 27.178 36.913 17.142 1.00 0.00 ATOM 422 O GLU 52 25.624 30.824 18.362 1.00 0.00 ATOM 423 C GLU 52 25.869 31.194 17.220 1.00 0.00 ATOM 424 N GLU 53 25.132 30.807 16.177 1.00 0.00 ATOM 425 CA GLU 53 24.031 29.867 16.343 1.00 0.00 ATOM 426 CB GLU 53 23.293 29.716 15.010 1.00 0.00 ATOM 427 CG GLU 53 22.550 30.966 14.559 1.00 0.00 ATOM 428 CD GLU 53 23.480 31.947 13.902 1.00 0.00 ATOM 429 OE1 GLU 53 24.640 31.640 13.768 1.00 0.00 ATOM 430 OE2 GLU 53 23.010 32.957 13.432 1.00 0.00 ATOM 431 O GLU 53 23.900 27.915 17.753 1.00 0.00 ATOM 432 C GLU 53 24.524 28.519 16.876 1.00 0.00 ATOM 433 N PHE 54 25.629 28.044 16.341 1.00 0.00 ATOM 434 CA PHE 54 26.212 26.785 16.788 1.00 0.00 ATOM 435 CB PHE 54 27.370 26.386 15.830 1.00 0.00 ATOM 436 CG PHE 54 27.769 24.936 15.906 1.00 0.00 ATOM 437 CD1 PHE 54 27.018 23.963 15.262 1.00 0.00 ATOM 438 CD2 PHE 54 28.927 24.546 16.578 1.00 0.00 ATOM 439 CE1 PHE 54 27.396 22.644 15.312 1.00 0.00 ATOM 440 CE2 PHE 54 29.301 23.220 16.626 1.00 0.00 ATOM 441 CZ PHE 54 28.539 22.278 15.989 1.00 0.00 ATOM 442 O PHE 54 26.508 25.904 19.000 1.00 0.00 ATOM 443 C PHE 54 26.663 26.861 18.241 1.00 0.00 ATOM 444 N TYR 55 27.225 28.003 18.623 1.00 0.00 ATOM 445 CA TYR 55 27.568 28.260 20.017 1.00 0.00 ATOM 446 CB TYR 55 28.302 29.597 20.149 1.00 0.00 ATOM 447 CG TYR 55 28.751 29.912 21.559 1.00 0.00 ATOM 448 CD1 TYR 55 29.931 29.386 22.066 1.00 0.00 ATOM 449 CD2 TYR 55 27.996 30.737 22.378 1.00 0.00 ATOM 450 CE1 TYR 55 30.346 29.671 23.353 1.00 0.00 ATOM 451 CE2 TYR 55 28.400 31.028 23.666 1.00 0.00 ATOM 452 CZ TYR 55 29.576 30.493 24.150 1.00 0.00 ATOM 453 OH TYR 55 29.985 30.782 25.432 1.00 0.00 ATOM 454 O TYR 55 26.511 28.399 22.165 1.00 0.00 ATOM 455 C TYR 55 26.373 28.479 20.947 1.00 0.00 ATOM 456 N GLY 56 25.228 28.775 20.365 1.00 0.00 ATOM 457 CA GLY 56 24.002 28.930 21.145 1.00 0.00 ATOM 458 O GLY 56 22.876 30.406 22.664 1.00 0.00 ATOM 459 C GLY 56 23.708 30.289 21.764 1.00 0.00 ATOM 460 N LYS 57 24.396 31.317 21.277 1.00 0.00 ATOM 461 CA LYS 57 24.285 32.654 21.847 1.00 0.00 ATOM 462 CB LYS 57 24.917 32.697 23.239 1.00 0.00 ATOM 463 CG LYS 57 24.797 34.042 23.943 1.00 0.00 ATOM 464 CD LYS 57 25.450 34.007 25.317 1.00 0.00 ATOM 465 CE LYS 57 25.269 35.328 26.051 1.00 0.00 ATOM 466 NZ LYS 57 25.924 35.317 27.386 1.00 0.00 ATOM 467 O LYS 57 25.804 33.395 20.166 1.00 0.00 ATOM 468 C LYS 57 24.833 33.683 20.870 1.00 0.00 ATOM 469 N THR 58 24.280 34.900 20.886 1.00 0.00 ATOM 470 CA THR 58 24.869 35.976 20.097 1.00 0.00 ATOM 471 CB THR 58 23.864 37.133 19.957 1.00 0.00 ATOM 472 CG2 THR 58 24.472 38.276 19.160 1.00 0.00 ATOM 473 OG1 THR 58 22.684 36.666 19.291 1.00 0.00 ATOM 474 O THR 58 26.120 36.811 21.966 1.00 0.00 ATOM 475 C THR 58 26.131 36.492 20.778 1.00 0.00 ATOM 476 N LEU 59 27.216 36.572 20.016 1.00 0.00 ATOM 477 CA LEU 59 28.502 36.999 20.557 1.00 0.00 ATOM 478 CB LEU 59 29.526 35.864 20.445 1.00 0.00 ATOM 479 CG LEU 59 29.196 34.604 21.256 1.00 0.00 ATOM 480 CD1 LEU 59 30.225 33.516 20.973 1.00 0.00 ATOM 481 CD2 LEU 59 29.165 34.945 22.737 1.00 0.00 ATOM 482 O LEU 59 29.573 38.167 18.753 1.00 0.00 ATOM 483 C LEU 59 29.013 38.246 19.847 1.00 0.00 ATOM 484 N PRO 60 28.787 39.401 20.463 1.00 0.00 ATOM 485 CA PRO 60 29.353 40.653 19.975 1.00 0.00 ATOM 486 CB PRO 60 29.020 41.668 21.073 1.00 0.00 ATOM 487 CG PRO 60 27.832 41.090 21.765 1.00 0.00 ATOM 488 CD PRO 60 28.038 39.599 21.734 1.00 0.00 ATOM 489 O PRO 60 31.480 39.588 20.290 1.00 0.00 ATOM 490 C PRO 60 30.833 40.440 19.678 1.00 0.00 ATOM 491 N ARG 61 31.369 41.216 18.741 1.00 0.00 ATOM 492 CA ARG 61 32.770 41.100 18.381 1.00 0.00 ATOM 493 CB ARG 61 33.271 42.388 17.759 1.00 0.00 ATOM 494 CG ARG 61 34.720 42.262 17.271 1.00 0.00 ATOM 495 CD ARG 61 35.267 43.525 16.622 1.00 0.00 ATOM 496 NE ARG 61 34.886 44.692 17.404 1.00 0.00 ATOM 497 CZ ARG 61 35.614 45.236 18.367 1.00 0.00 ATOM 498 NH1 ARG 61 36.832 44.779 18.652 1.00 0.00 ATOM 499 NH2 ARG 61 35.130 46.280 19.026 1.00 0.00 ATOM 500 O ARG 61 34.516 39.927 19.533 1.00 0.00 ATOM 501 C ARG 61 33.704 40.853 19.558 1.00 0.00 ATOM 502 N ARG 62 33.588 41.681 20.591 1.00 0.00 ATOM 503 CA ARG 62 34.429 41.537 21.774 1.00 0.00 ATOM 504 CB ARG 62 34.167 42.658 22.769 1.00 0.00 ATOM 505 CG ARG 62 34.687 44.012 22.299 1.00 0.00 ATOM 506 CD ARG 62 34.768 44.996 23.457 1.00 0.00 ATOM 507 NE ARG 62 33.455 45.278 24.029 1.00 0.00 ATOM 508 CZ ARG 62 32.625 46.211 23.575 1.00 0.00 ATOM 509 NH1 ARG 62 32.969 46.966 22.540 1.00 0.00 ATOM 510 NH2 ARG 62 31.446 46.386 24.155 1.00 0.00 ATOM 511 O ARG 62 35.207 39.541 22.856 1.00 0.00 ATOM 512 C ARG 62 34.238 40.179 22.442 1.00 0.00 ATOM 513 N GLU 63 32.987 39.740 22.546 1.00 0.00 ATOM 514 CA GLU 63 32.689 38.455 23.165 1.00 0.00 ATOM 515 CB GLU 63 31.199 38.330 23.408 1.00 0.00 ATOM 516 CG GLU 63 30.711 39.198 24.540 1.00 0.00 ATOM 517 CD GLU 63 29.231 39.031 24.769 1.00 0.00 ATOM 518 OE1 GLU 63 28.715 37.937 24.467 1.00 0.00 ATOM 519 OE2 GLU 63 28.588 39.982 25.255 1.00 0.00 ATOM 520 O GLU 63 33.732 36.322 22.822 1.00 0.00 ATOM 521 C GLU 63 33.167 37.288 22.307 1.00 0.00 ATOM 522 N ALA 64 32.942 37.379 21.001 1.00 0.00 ATOM 523 CA ALA 64 33.360 36.323 20.089 1.00 0.00 ATOM 524 CB ALA 64 32.835 36.611 18.690 1.00 0.00 ATOM 525 O ALA 64 35.402 35.064 20.088 1.00 0.00 ATOM 526 C ALA 64 34.878 36.179 20.081 1.00 0.00 ATOM 527 N GLU 65 35.582 37.305 20.067 1.00 0.00 ATOM 528 CA GLU 65 37.038 37.285 20.061 1.00 0.00 ATOM 529 CB GLU 65 37.592 38.697 19.853 1.00 0.00 ATOM 530 CG GLU 65 37.433 39.233 18.437 1.00 0.00 ATOM 531 CD GLU 65 37.840 40.679 18.352 1.00 0.00 ATOM 532 OE1 GLU 65 38.173 41.242 19.366 1.00 0.00 ATOM 533 OE2 GLU 65 37.924 41.186 17.259 1.00 0.00 ATOM 534 O GLU 65 38.492 35.866 21.330 1.00 0.00 ATOM 535 C GLU 65 37.556 36.665 21.350 1.00 0.00 ATOM 536 N LYS 66 36.945 37.032 22.472 1.00 0.00 ATOM 537 CA LYS 66 37.356 36.498 23.766 1.00 0.00 ATOM 538 CB LYS 66 36.513 37.119 24.880 1.00 0.00 ATOM 539 CG LYS 66 36.831 36.597 26.276 1.00 0.00 ATOM 540 CD LYS 66 36.000 37.305 27.335 1.00 0.00 ATOM 541 CE LYS 66 36.287 36.755 28.724 1.00 0.00 ATOM 542 NZ LYS 66 35.485 37.443 29.771 1.00 0.00 ATOM 543 O LYS 66 38.052 34.253 24.232 1.00 0.00 ATOM 544 C LYS 66 37.174 34.987 23.778 1.00 0.00 ATOM 545 N VAL 67 36.034 34.522 23.276 1.00 0.00 ATOM 546 CA VAL 67 35.755 33.092 23.234 1.00 0.00 ATOM 547 CB VAL 67 34.340 32.790 22.704 1.00 0.00 ATOM 548 CG1 VAL 67 34.189 31.308 22.400 1.00 0.00 ATOM 549 CG2 VAL 67 33.288 33.236 23.710 1.00 0.00 ATOM 550 O VAL 67 37.305 31.333 22.723 1.00 0.00 ATOM 551 C VAL 67 36.776 32.382 22.354 1.00 0.00 ATOM 552 N PHE 68 37.050 32.962 21.190 1.00 0.00 ATOM 553 CA PHE 68 37.958 32.352 20.226 1.00 0.00 ATOM 554 CB PHE 68 37.983 33.163 18.929 1.00 0.00 ATOM 555 CG PHE 68 36.680 33.149 18.180 1.00 0.00 ATOM 556 CD1 PHE 68 35.669 32.269 18.537 1.00 0.00 ATOM 557 CD2 PHE 68 36.463 34.016 17.120 1.00 0.00 ATOM 558 CE1 PHE 68 34.469 32.257 17.849 1.00 0.00 ATOM 559 CE2 PHE 68 35.265 34.006 16.432 1.00 0.00 ATOM 560 CZ PHE 68 34.268 33.125 16.797 1.00 0.00 ATOM 561 O PHE 68 40.062 31.244 20.545 1.00 0.00 ATOM 562 C PHE 68 39.364 32.228 20.793 1.00 0.00 ATOM 563 N GLU 69 39.780 33.233 21.558 1.00 0.00 ATOM 564 CA GLU 69 41.069 33.197 22.238 1.00 0.00 ATOM 565 CB GLU 69 41.387 34.560 22.856 1.00 0.00 ATOM 566 CG GLU 69 41.739 35.641 21.846 1.00 0.00 ATOM 567 CD GLU 69 41.855 36.989 22.503 1.00 0.00 ATOM 568 OE1 GLU 69 41.595 37.077 23.680 1.00 0.00 ATOM 569 OE2 GLU 69 42.313 37.904 21.862 1.00 0.00 ATOM 570 O GLU 69 42.034 31.342 23.421 1.00 0.00 ATOM 571 C GLU 69 41.061 32.092 23.293 1.00 0.00 ATOM 572 N LEU 70 39.977 31.995 24.050 1.00 0.00 ATOM 573 CA LEU 70 39.870 30.964 25.071 1.00 0.00 ATOM 574 CB LEU 70 38.587 31.181 25.884 1.00 0.00 ATOM 575 CG LEU 70 38.599 32.407 26.807 1.00 0.00 ATOM 576 CD1 LEU 70 37.206 32.646 27.373 1.00 0.00 ATOM 577 CD2 LEU 70 39.606 32.192 27.926 1.00 0.00 ATOM 578 O LEU 70 40.461 28.652 25.047 1.00 0.00 ATOM 579 C LEU 70 39.918 29.581 24.453 1.00 0.00 ATOM 580 N LEU 71 39.317 29.439 23.268 1.00 0.00 ATOM 581 CA LEU 71 39.296 28.176 22.548 1.00 0.00 ATOM 582 CB LEU 71 38.355 28.256 21.339 1.00 0.00 ATOM 583 CG LEU 71 36.861 28.346 21.679 1.00 0.00 ATOM 584 CD1 LEU 71 36.044 28.496 20.403 1.00 0.00 ATOM 585 CD2 LEU 71 36.439 27.102 22.447 1.00 0.00 ATOM 586 O LEU 71 41.080 26.627 22.134 1.00 0.00 ATOM 587 C LEU 71 40.690 27.793 22.069 1.00 0.00 ATOM 588 N ASN 72 41.433 28.800 21.584 1.00 0.00 ATOM 589 CA ASN 72 42.799 28.543 21.143 1.00 0.00 ATOM 590 CB ASN 72 43.533 30.052 20.974 1.00 0.00 ATOM 591 CG ASN 72 44.690 30.176 19.987 1.00 0.00 ATOM 592 ND2 ASN 72 45.890 30.449 20.497 1.00 0.00 ATOM 593 OD1 ASN 72 44.506 30.012 18.788 1.00 0.00 ATOM 594 O ASN 72 44.553 27.256 22.156 1.00 0.00 ATOM 595 C ASN 72 43.656 28.086 22.316 1.00 0.00 ATOM 596 N ASP 73 43.377 28.631 23.495 1.00 0.00 ATOM 597 CA ASP 73 44.089 28.242 24.707 1.00 0.00 ATOM 598 CB ASP 73 44.109 29.398 25.710 1.00 0.00 ATOM 599 CG ASP 73 45.004 30.563 25.310 1.00 0.00 ATOM 600 OD1 ASP 73 45.810 30.391 24.427 1.00 0.00 ATOM 601 OD2 ASP 73 44.771 31.652 25.776 1.00 0.00 ATOM 602 O ASP 73 44.022 26.423 26.271 1.00 0.00 ATOM 603 C ASP 73 43.461 27.008 25.343 1.00 0.00 ATOM 604 N PHE 74 42.297 26.616 24.838 1.00 0.00 ATOM 605 CA PHE 74 41.552 25.500 25.409 1.00 0.00 ATOM 606 CB PHE 74 42.300 24.186 25.181 1.00 0.00 ATOM 607 CG PHE 74 42.513 23.852 23.731 1.00 0.00 ATOM 608 CD1 PHE 74 43.759 24.016 23.144 1.00 0.00 ATOM 609 CD2 PHE 74 41.470 23.376 22.954 1.00 0.00 ATOM 610 CE1 PHE 74 43.956 23.710 21.810 1.00 0.00 ATOM 611 CE2 PHE 74 41.664 23.067 21.621 1.00 0.00 ATOM 612 CZ PHE 74 42.908 23.236 21.049 1.00 0.00 ATOM 613 O PHE 74 41.409 24.773 27.690 1.00 0.00 ATOM 614 C PHE 74 41.280 25.703 26.894 1.00 0.00 ATOM 615 N LYS 75 40.901 26.922 27.260 1.00 0.00 ATOM 616 CA LYS 75 40.577 27.240 28.645 1.00 0.00 ATOM 617 CB LYS 75 41.434 28.412 29.128 1.00 0.00 ATOM 618 CG LYS 75 42.926 28.114 29.195 1.00 0.00 ATOM 619 CD LYS 75 43.703 29.301 29.742 1.00 0.00 ATOM 620 CE LYS 75 45.195 29.005 29.808 1.00 0.00 ATOM 621 NZ LYS 75 45.953 30.106 30.461 1.00 0.00 ATOM 622 O LYS 75 38.679 28.704 28.563 1.00 0.00 ATOM 623 C LYS 75 39.101 27.579 28.827 1.00 0.00 ATOM 624 N GLY 76 38.320 26.604 29.280 1.00 0.00 ATOM 625 CA GLY 76 36.896 26.816 29.494 1.00 0.00 ATOM 626 O GLY 76 37.228 27.398 31.819 1.00 0.00 ATOM 627 C GLY 76 36.614 27.600 30.765 1.00 0.00 ATOM 628 N GLY 77 35.587 28.469 30.682 1.00 0.00 ATOM 629 CA GLY 77 35.163 29.253 31.843 1.00 0.00 ATOM 630 O GLY 77 33.487 29.276 33.559 1.00 0.00 ATOM 631 C GLY 77 34.032 28.636 32.659 1.00 0.00 ATOM 632 N ILE 78 33.683 27.392 32.347 1.00 0.00 ATOM 633 CA ILE 78 32.618 26.704 33.063 1.00 0.00 ATOM 634 CB ILE 78 31.241 27.110 32.508 1.00 0.00 ATOM 635 CG1 ILE 78 30.124 26.563 33.401 1.00 0.00 ATOM 636 CG2 ILE 78 31.076 26.615 31.079 1.00 0.00 ATOM 637 CD1 ILE 78 28.775 27.197 33.148 1.00 0.00 ATOM 638 O ILE 78 33.237 24.669 31.957 1.00 0.00 ATOM 639 C ILE 78 32.761 25.192 32.966 1.00 0.00 ATOM 640 N ASP 79 32.348 24.488 34.015 1.00 0.00 ATOM 641 CA ASP 79 32.435 23.033 34.031 1.00 0.00 ATOM 642 CB ASP 79 32.435 22.516 35.472 1.00 0.00 ATOM 643 CG ASP 79 32.647 21.013 35.602 1.00 0.00 ATOM 644 OD1 ASP 79 32.892 20.379 34.603 1.00 0.00 ATOM 645 OD2 ASP 79 32.719 20.538 36.709 1.00 0.00 ATOM 646 O ASP 79 30.320 21.936 33.747 1.00 0.00 ATOM 647 C ASP 79 31.295 22.453 33.200 1.00 0.00 ATOM 648 N TRP 80 31.420 22.539 31.880 1.00 0.00 ATOM 649 CA TRP 80 30.393 22.015 30.990 1.00 0.00 ATOM 650 CB TRP 80 30.649 22.522 29.568 1.00 0.00 ATOM 651 CG TRP 80 31.983 22.120 29.022 1.00 0.00 ATOM 652 CD1 TRP 80 33.130 22.859 29.044 1.00 0.00 ATOM 653 CD2 TRP 80 32.314 20.886 28.373 1.00 0.00 ATOM 654 CE2 TRP 80 33.677 20.948 28.028 1.00 0.00 ATOM 655 CE3 TRP 80 31.587 19.734 28.049 1.00 0.00 ATOM 656 NE1 TRP 80 34.153 22.164 28.449 1.00 0.00 ATOM 657 CZ2 TRP 80 34.326 19.909 27.379 1.00 0.00 ATOM 658 CZ3 TRP 80 32.238 18.693 27.399 1.00 0.00 ATOM 659 CH2 TRP 80 33.569 18.778 27.074 1.00 0.00 ATOM 660 O TRP 80 29.180 19.951 30.844 1.00 0.00 ATOM 661 C TRP 80 30.242 20.506 31.133 1.00 0.00 ATOM 662 N GLU 81 31.302 19.842 31.579 1.00 0.00 ATOM 663 CA GLU 81 31.269 18.395 31.758 1.00 0.00 ATOM 664 CB GLU 81 32.703 17.911 31.989 1.00 0.00 ATOM 665 CG GLU 81 33.639 18.133 30.810 1.00 0.00 ATOM 666 CD GLU 81 35.031 17.657 31.121 1.00 0.00 ATOM 667 OE1 GLU 81 35.244 17.174 32.207 1.00 0.00 ATOM 668 OE2 GLU 81 35.853 17.670 30.235 1.00 0.00 ATOM 669 O GLU 81 30.448 16.740 33.285 1.00 0.00 ATOM 670 C GLU 81 30.472 17.929 32.975 1.00 0.00 ATOM 671 N ASN 82 30.022 19.010 33.642 1.00 0.00 ATOM 672 CA ASN 82 29.229 18.665 34.818 1.00 0.00 ATOM 673 CB ASN 82 29.460 19.590 35.998 1.00 0.00 ATOM 674 CG ASN 82 28.702 19.195 37.234 1.00 0.00 ATOM 675 ND2 ASN 82 29.139 19.712 38.355 1.00 0.00 ATOM 676 OD1 ASN 82 27.689 18.488 37.166 1.00 0.00 ATOM 677 O ASN 82 27.266 19.723 33.933 1.00 0.00 ATOM 678 C ASN 82 27.757 18.694 34.400 1.00 0.00 ATOM 679 N LYS 83 27.081 17.572 34.559 1.00 0.00 ATOM 680 CA LYS 83 25.676 17.482 34.170 1.00 0.00 ATOM 681 CB LYS 83 25.106 16.118 34.564 1.00 0.00 ATOM 682 CG LYS 83 25.660 14.949 33.761 1.00 0.00 ATOM 683 CD LYS 83 25.035 13.633 34.196 1.00 0.00 ATOM 684 CE LYS 83 25.595 12.463 33.402 1.00 0.00 ATOM 685 NZ LYS 83 25.007 11.165 33.830 1.00 0.00 ATOM 686 O LYS 83 23.878 19.069 34.114 1.00 0.00 ATOM 687 C LYS 83 24.818 18.596 34.753 1.00 0.00 ATOM 688 N ARG 84 25.146 19.012 35.971 1.00 0.00 ATOM 689 CA ARG 84 24.437 20.107 36.623 1.00 0.00 ATOM 690 CB ARG 84 24.853 20.158 38.112 1.00 0.00 ATOM 691 CG ARG 84 24.377 18.911 38.888 1.00 0.00 ATOM 692 CD ARG 84 24.663 18.959 40.387 1.00 0.00 ATOM 693 NE ARG 84 26.061 18.703 40.731 1.00 0.00 ATOM 694 CZ ARG 84 26.888 19.612 41.242 1.00 0.00 ATOM 695 NH1 ARG 84 26.460 20.847 41.462 1.00 0.00 ATOM 696 NH2 ARG 84 28.129 19.280 41.562 1.00 0.00 ATOM 697 O ARG 84 23.717 22.220 35.743 1.00 0.00 ATOM 698 C ARG 84 24.636 21.407 35.857 1.00 0.00 ATOM 699 N VAL 85 25.841 21.603 35.334 1.00 0.00 ATOM 700 CA VAL 85 26.138 22.763 34.503 1.00 0.00 ATOM 701 CB VAL 85 27.656 22.992 34.381 1.00 0.00 ATOM 702 CG1 VAL 85 27.948 24.101 33.381 1.00 0.00 ATOM 703 CG2 VAL 85 28.255 23.329 35.738 1.00 0.00 ATOM 704 O VAL 85 25.106 23.617 32.512 1.00 0.00 ATOM 705 C VAL 85 25.540 22.631 33.108 1.00 0.00 ATOM 706 N LYS 86 25.521 21.407 32.592 1.00 0.00 ATOM 707 CA LYS 86 25.017 21.150 31.248 1.00 0.00 ATOM 708 CB LYS 86 25.099 19.658 30.921 1.00 0.00 ATOM 709 CG LYS 86 26.512 19.144 30.680 1.00 0.00 ATOM 710 CD LYS 86 26.506 17.670 30.302 1.00 0.00 ATOM 711 CE LYS 86 27.919 17.153 30.071 1.00 0.00 ATOM 712 NZ LYS 86 27.933 15.703 29.738 1.00 0.00 ATOM 713 O LYS 86 23.260 22.354 30.143 1.00 0.00 ATOM 714 C LYS 86 23.583 21.642 31.094 1.00 0.00 ATOM 715 N LEU 87 22.728 21.258 32.035 1.00 0.00 ATOM 716 CA LEU 87 21.311 21.602 31.969 1.00 0.00 ATOM 717 CB LEU 87 20.535 20.861 33.065 1.00 0.00 ATOM 718 CG LEU 87 19.025 21.126 33.087 1.00 0.00 ATOM 719 CD1 LEU 87 18.395 20.664 31.779 1.00 0.00 ATOM 720 CD2 LEU 87 18.398 20.405 34.271 1.00 0.00 ATOM 721 O LEU 87 20.352 23.708 31.336 1.00 0.00 ATOM 722 C LEU 87 21.074 23.100 32.126 1.00 0.00 ATOM 723 N LYS 88 21.686 23.693 33.147 1.00 0.00 ATOM 724 CA LYS 88 21.533 25.134 33.396 1.00 0.00 ATOM 725 CB LYS 88 22.240 25.576 34.620 1.00 0.00 ATOM 726 CG LYS 88 21.522 25.200 35.850 1.00 0.00 ATOM 727 CD LYS 88 22.334 25.625 37.003 1.00 0.00 ATOM 728 CE LYS 88 21.614 25.326 38.281 1.00 0.00 ATOM 729 NZ LYS 88 22.603 25.141 39.410 1.00 0.00 ATOM 730 O LYS 88 21.426 26.895 31.770 1.00 0.00 ATOM 731 C LYS 88 22.082 25.963 32.239 1.00 0.00 ATOM 732 N LEU 89 23.282 25.622 31.781 1.00 0.00 ATOM 733 CA LEU 89 23.899 26.344 30.679 1.00 0.00 ATOM 734 CB LEU 89 25.334 25.840 30.477 1.00 0.00 ATOM 735 CG LEU 89 26.155 26.607 29.433 1.00 0.00 ATOM 736 CD1 LEU 89 26.219 28.083 29.800 1.00 0.00 ATOM 737 CD2 LEU 89 27.552 26.012 29.347 1.00 0.00 ATOM 738 O LEU 89 23.002 27.220 28.639 1.00 0.00 ATOM 739 C LEU 89 23.096 26.252 29.394 1.00 0.00 ATOM 740 N ASN 90 22.513 25.084 29.143 1.00 0.00 ATOM 741 CA ASN 90 21.714 24.880 27.940 1.00 0.00 ATOM 742 CB ASN 90 21.269 23.432 27.841 1.00 0.00 ATOM 743 CG ASN 90 20.541 23.108 26.565 1.00 0.00 ATOM 744 ND2 ASN 90 19.264 22.857 26.693 1.00 0.00 ATOM 745 OD1 ASN 90 21.113 23.159 25.470 1.00 0.00 ATOM 746 O ASN 90 20.223 26.465 26.936 1.00 0.00 ATOM 747 C ASN 90 20.532 25.839 27.950 1.00 0.00 ATOM 748 N ASP 91 19.871 25.954 29.097 1.00 0.00 ATOM 749 CA ASP 91 18.723 26.844 29.222 1.00 0.00 ATOM 750 CB ASP 91 18.058 26.747 30.592 1.00 0.00 ATOM 751 CG ASP 91 16.717 27.471 30.626 1.00 0.00 ATOM 752 OD1 ASP 91 16.563 28.431 31.416 1.00 0.00 ATOM 753 OD2 ASP 91 15.806 27.086 29.852 1.00 0.00 ATOM 754 O ASP 91 20.036 28.753 29.848 1.00 0.00 ATOM 755 C ASP 91 19.111 28.318 29.160 1.00 0.00 ATOM 756 N LEU 92 18.403 29.085 28.336 1.00 0.00 ATOM 757 CA LEU 92 18.685 30.518 28.197 1.00 0.00 ATOM 758 CB LEU 92 17.835 31.073 27.047 1.00 0.00 ATOM 759 CG LEU 92 18.195 30.541 25.655 1.00 0.00 ATOM 760 CD1 LEU 92 17.176 31.026 24.633 1.00 0.00 ATOM 761 CD2 LEU 92 19.596 31.001 25.280 1.00 0.00 ATOM 762 O LEU 92 19.252 32.104 29.864 1.00 0.00 ATOM 763 C LEU 92 18.448 31.239 29.517 1.00 0.00 ATOM 764 N LEU 93 17.308 30.992 30.158 1.00 0.00 ATOM 765 CA LEU 93 17.091 31.691 31.444 1.00 0.00 ATOM 766 CB LEU 93 15.684 31.310 31.924 1.00 0.00 ATOM 767 CG LEU 93 14.531 31.928 31.122 1.00 0.00 ATOM 768 CD1 LEU 93 13.209 31.296 31.538 1.00 0.00 ATOM 769 CD2 LEU 93 14.504 33.432 31.347 1.00 0.00 ATOM 770 O LEU 93 18.674 32.221 33.156 1.00 0.00 ATOM 771 C LEU 93 18.180 31.349 32.449 1.00 0.00 ATOM 772 N ALA 94 18.573 30.073 32.516 1.00 0.00 ATOM 773 CA ALA 94 19.639 29.695 33.444 1.00 0.00 ATOM 774 CB ALA 94 19.672 28.133 33.566 1.00 0.00 ATOM 775 O ALA 94 21.716 30.791 33.933 1.00 0.00 ATOM 776 C ALA 94 20.941 30.392 33.063 1.00 0.00 ATOM 777 N LEU 95 21.179 30.538 31.764 1.00 0.00 ATOM 778 CA LEU 95 22.388 31.189 31.289 1.00 0.00 ATOM 779 CB LEU 95 22.485 31.070 29.764 1.00 0.00 ATOM 780 CG LEU 95 23.656 31.827 29.123 1.00 0.00 ATOM 781 CD1 LEU 95 24.978 31.285 29.649 1.00 0.00 ATOM 782 CD2 LEU 95 23.581 31.691 27.610 1.00 0.00 ATOM 783 O LEU 95 23.405 33.178 32.161 1.00 0.00 ATOM 784 C LEU 95 22.395 32.662 31.681 1.00 0.00 ATOM 785 N GLU 96 21.269 33.337 31.474 1.00 0.00 ATOM 786 CA GLU 96 21.163 34.750 31.814 1.00 0.00 ATOM 787 CB GLU 96 19.781 35.298 31.446 1.00 0.00 ATOM 788 CG GLU 96 19.542 35.447 29.951 1.00 0.00 ATOM 789 CD GLU 96 20.534 36.388 29.329 1.00 0.00 ATOM 790 OE1 GLU 96 20.671 37.484 29.817 1.00 0.00 ATOM 791 OE2 GLU 96 21.238 35.974 28.437 1.00 0.00 ATOM 792 O GLU 96 22.152 35.893 33.690 1.00 0.00 ATOM 793 C GLU 96 21.409 34.993 33.309 1.00 0.00 ATOM 794 N THR 97 20.847 34.142 34.134 1.00 0.00 ATOM 795 CA THR 97 21.076 34.246 35.581 1.00 0.00 ATOM 796 CB THR 97 20.176 33.209 36.322 1.00 0.00 ATOM 797 CG2 THR 97 20.295 33.362 37.824 1.00 0.00 ATOM 798 OG1 THR 97 18.792 33.463 36.049 1.00 0.00 ATOM 799 O THR 97 23.111 34.773 36.732 1.00 0.00 ATOM 800 C THR 97 22.542 34.025 35.936 1.00 0.00 ATOM 801 N MET 98 23.144 33.012 35.347 1.00 0.00 ATOM 802 CA MET 98 24.552 32.703 35.595 1.00 0.00 ATOM 803 CB MET 98 24.936 31.400 34.898 1.00 0.00 ATOM 804 CG MET 98 24.351 30.148 35.537 1.00 0.00 ATOM 805 SD MET 98 25.042 28.629 34.852 1.00 0.00 ATOM 806 CE MET 98 24.280 28.613 33.232 1.00 0.00 ATOM 807 O MET 98 26.448 34.159 35.814 1.00 0.00 ATOM 808 C MET 98 25.459 33.844 35.152 1.00 0.00 ATOM 809 N LEU 99 25.132 34.443 34.012 1.00 0.00 ATOM 810 CA LEU 99 25.906 35.559 33.483 1.00 0.00 ATOM 811 CB LEU 99 25.431 36.062 32.216 1.00 0.00 ATOM 812 CG LEU 99 25.506 35.088 31.043 1.00 0.00 ATOM 813 CD1 LEU 99 24.594 35.559 29.921 1.00 0.00 ATOM 814 CD2 LEU 99 26.950 34.988 30.581 1.00 0.00 ATOM 815 O LEU 99 26.993 37.297 34.726 1.00 0.00 ATOM 816 C LEU 99 25.940 36.711 34.479 1.00 0.00 ATOM 817 N GLU 100 24.784 37.032 35.051 1.00 0.00 ATOM 818 CA GLU 100 24.698 38.118 36.022 1.00 0.00 ATOM 819 CB GLU 100 23.234 38.376 36.387 1.00 0.00 ATOM 820 CG GLU 100 23.036 39.369 37.525 1.00 0.00 ATOM 821 CD GLU 100 23.474 40.750 37.127 1.00 0.00 ATOM 822 OE1 GLU 100 23.672 40.975 35.957 1.00 0.00 ATOM 823 OE2 GLU 100 23.503 41.610 37.976 1.00 0.00 ATOM 824 O GLU 100 26.160 38.581 37.834 1.00 0.00 ATOM 825 C GLU 100 25.463 37.743 37.293 1.00 0.00 ATOM 826 N GLU 101 25.326 36.502 37.756 1.00 0.00 ATOM 827 CA GLU 101 26.070 36.073 38.922 1.00 0.00 ATOM 828 CB GLU 101 25.578 34.629 39.304 1.00 0.00 ATOM 829 CG GLU 101 26.404 34.029 40.436 1.00 0.00 ATOM 830 CD GLU 101 26.033 32.611 40.811 1.00 0.00 ATOM 831 OE1 GLU 101 25.117 32.033 40.204 1.00 0.00 ATOM 832 OE2 GLU 101 26.692 32.113 41.755 1.00 0.00 ATOM 833 O GLU 101 28.334 36.480 39.577 1.00 0.00 ATOM 834 C GLU 101 27.579 36.091 38.688 1.00 0.00 ATOM 835 N TRP 102 28.013 35.661 37.503 1.00 0.00 ATOM 836 CA TRP 102 29.443 35.731 37.190 1.00 0.00 ATOM 837 CB TRP 102 29.779 35.044 35.912 1.00 0.00 ATOM 838 CG TRP 102 29.547 33.553 35.969 1.00 0.00 ATOM 839 CD1 TRP 102 29.183 32.805 37.063 1.00 0.00 ATOM 840 CD2 TRP 102 29.673 32.635 34.885 1.00 0.00 ATOM 841 CE2 TRP 102 29.369 31.344 35.384 1.00 0.00 ATOM 842 CE3 TRP 102 30.010 32.769 33.528 1.00 0.00 ATOM 843 NE1 TRP 102 29.073 31.477 36.717 1.00 0.00 ATOM 844 CZ2 TRP 102 29.397 30.199 34.577 1.00 0.00 ATOM 845 CZ3 TRP 102 30.039 31.630 32.726 1.00 0.00 ATOM 846 CH2 TRP 102 29.736 30.364 33.256 1.00 0.00 ATOM 847 O TRP 102 31.040 37.476 37.595 1.00 0.00 ATOM 848 C TRP 102 29.950 37.166 37.114 1.00 0.00 ATOM 849 N ASP 103 29.147 38.041 36.517 1.00 0.00 ATOM 850 CA ASP 103 29.460 39.465 36.480 1.00 0.00 ATOM 851 CB ASP 103 28.418 40.221 35.651 1.00 0.00 ATOM 852 CG ASP 103 28.529 40.001 34.149 1.00 0.00 ATOM 853 OD1 ASP 103 29.525 39.468 33.718 1.00 0.00 ATOM 854 OD2 ASP 103 27.559 40.219 33.463 1.00 0.00 ATOM 855 O ASP 103 30.502 40.744 38.207 1.00 0.00 ATOM 856 C ASP 103 29.580 39.992 37.892 1.00 0.00 ATOM 857 N ARG 104 28.664 39.572 38.760 1.00 0.00 ATOM 858 CA ARG 104 28.702 39.985 40.158 1.00 0.00 ATOM 859 CB ARG 104 27.407 39.536 40.810 1.00 0.00 ATOM 860 CG ARG 104 27.346 39.683 42.321 1.00 0.00 ATOM 861 CD ARG 104 26.820 40.963 42.727 1.00 0.00 ATOM 862 NE ARG 104 27.418 41.389 43.978 1.00 0.00 ATOM 863 CZ ARG 104 26.999 42.418 44.658 1.00 0.00 ATOM 864 NH1 ARG 104 25.919 43.101 44.293 1.00 0.00 ATOM 865 NH2 ARG 104 27.643 42.733 45.736 1.00 0.00 ATOM 866 O ARG 104 30.508 40.101 41.690 1.00 0.00 ATOM 867 C ARG 104 29.894 39.404 40.882 1.00 0.00 ATOM 868 N ARG 105 30.231 38.150 40.603 1.00 0.00 ATOM 869 CA ARG 105 31.411 37.580 41.248 1.00 0.00 ATOM 870 CB ARG 105 31.435 36.029 41.002 1.00 0.00 ATOM 871 CG ARG 105 32.656 35.300 41.617 1.00 0.00 ATOM 872 CD ARG 105 32.801 33.893 41.058 1.00 0.00 ATOM 873 NE ARG 105 33.126 33.927 39.634 1.00 0.00 ATOM 874 CZ ARG 105 32.842 32.972 38.748 1.00 0.00 ATOM 875 NH1 ARG 105 32.203 31.856 39.114 1.00 0.00 ATOM 876 NH2 ARG 105 33.204 33.137 37.480 1.00 0.00 ATOM 877 O ARG 105 33.590 38.531 41.566 1.00 0.00 ATOM 878 C ARG 105 32.681 38.278 40.775 1.00 0.00 ATOM 879 N VAL 106 32.741 38.590 39.485 1.00 0.00 ATOM 880 CA VAL 106 33.914 39.266 38.918 1.00 0.00 ATOM 881 CB VAL 106 33.803 39.407 37.385 1.00 0.00 ATOM 882 CG1 VAL 106 34.963 40.242 36.849 1.00 0.00 ATOM 883 CG2 VAL 106 33.798 38.035 36.745 1.00 0.00 ATOM 884 O VAL 106 35.168 40.985 40.005 1.00 0.00 ATOM 885 C VAL 106 34.081 40.631 39.545 1.00 0.00 ATOM 886 N LYS 107 33.002 41.406 39.569 1.00 0.00 ATOM 887 CA LYS 107 33.042 42.742 40.151 1.00 0.00 ATOM 888 CB LYS 107 31.649 43.394 39.961 1.00 0.00 ATOM 889 CG LYS 107 31.538 44.763 40.602 1.00 0.00 ATOM 890 CD LYS 107 32.593 45.799 40.362 1.00 0.00 ATOM 891 CE LYS 107 32.597 46.229 39.058 1.00 0.00 ATOM 892 NZ LYS 107 33.379 47.727 38.816 1.00 0.00 ATOM 893 O LYS 107 34.395 43.363 42.007 1.00 0.00 ATOM 894 C LYS 107 33.470 42.670 41.581 1.00 0.00 ATOM 895 N ARG 108 32.824 41.819 42.360 1.00 0.00 ATOM 896 CA ARG 108 33.160 41.690 43.780 1.00 0.00 ATOM 897 CB ARG 108 32.330 42.651 44.729 1.00 0.00 ATOM 898 CG ARG 108 32.423 44.177 44.528 1.00 0.00 ATOM 899 CD ARG 108 33.842 44.693 44.740 1.00 0.00 ATOM 900 NE ARG 108 33.974 46.154 44.775 1.00 0.00 ATOM 901 CZ ARG 108 34.376 46.851 43.716 1.00 0.00 ATOM 902 NH1 ARG 108 34.649 46.230 42.571 1.00 0.00 ATOM 903 NH2 ARG 108 34.503 48.173 43.784 1.00 0.00 ATOM 904 O ARG 108 31.960 39.616 43.901 1.00 0.00 ATOM 905 C ARG 108 32.973 40.241 44.197 1.00 0.00 TER END