PFRMAT TS TARGET T0314 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 8 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) 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 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 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 We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. 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 methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). 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. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. 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 METHOD METHOD We were really flailing on this model, as our ab initio techniques METHOD were not making much progress in the short time available. METHOD METHOD We are submitting METHOD METHOD Model 1 is T0314.try48-opt2, the closest match to the secondary METHOD structure predictions. Grant made a hairpin of residues 20-29 because METHOD of strand predictions and separation predictions that looked good from METHOD the sep alphabets. The helix constraints are straight out of the METHOD neural net predictions. Grant made the sheet constraints from the METHOD str2 secondary structure predictions. He made a small sheet METHOD constraint that he ended up removing later. The first run of these METHOD constraints (try20.costfcn) gave me a very good base to start from, METHOD but there was an extra strand that wasn't pairing up with the rest of METHOD the sheet. Grant finally ended up moving the strand manually with METHOD ProteinShop adding breaks to the models in order to get the strands to METHOD form correctly in undertaker. METHOD METHOD Model 2 is try30-opt2 which came from try13-opt2. Try13 was a METHOD polishing run on the five Robetta server models. We ended up getting METHOD something vaguely proteinlike. METHOD METHOD Model 3, try21-opt2, was an attempt to get the strand in place from METHOD try20-opt2, but it didn't work well. It ended up looking decent on METHOD its own, so it's a valid model. METHOD METHOD Model 4, try35-opt2, is a polished model based on alignments from a METHOD lipoprotein Grant found in the PDB. A lipoprotein in E.coli (1oapA) METHOD was of similar length and he got a few other structures from vast METHOD (2aizP,1r1mA) to make alignments from. We ended up with a structure METHOD that looked somewhat like the E.coli lipoprotein. METHOD METHOD Model 5, try14-opt2, was a polish of the best scoring Pcons6 model METHOD (TS4) (which is really robetta model 7) in undertaker. Grant ran a METHOD polishing run on it and this is the model. REMARK 6 REMARK 6 T0314 model 2 Wed Jul 12 20:53:06 2006 MODEL 2 PARENT 1oap_A 1vem_A 1ksh_A 1zi8_A 1din REMARK 7 REMARK 7 ALLPARENTS 1oap_A 1vem_A 1ksh_A 1zi8_A 1din 2cb2_A 1itc_A REMARK 7 ALLPARENTS 2f1k_A 1g5b_A ATOM 1 N MET 1 -6.007 -2.909 12.329 1.00 0.00 ATOM 2 CA MET 1 -7.182 -2.057 12.472 1.00 0.00 ATOM 3 CB MET 1 -6.794 -0.724 13.108 1.00 0.00 ATOM 4 CG MET 1 -6.178 -0.842 14.495 1.00 0.00 ATOM 5 SD MET 1 -7.300 -1.596 15.690 1.00 0.00 ATOM 6 CE MET 1 -8.536 -0.310 15.852 1.00 0.00 ATOM 7 O MET 1 -7.220 -1.656 10.114 1.00 0.00 ATOM 8 C MET 1 -7.877 -1.825 11.136 1.00 0.00 ATOM 9 N SER 2 -9.209 -1.829 11.155 1.00 0.00 ATOM 10 CA SER 2 -9.953 -1.582 9.923 1.00 0.00 ATOM 11 CB SER 2 -11.410 -1.908 10.223 1.00 0.00 ATOM 12 OG SER 2 -12.180 -1.710 9.048 1.00 0.00 ATOM 13 O SER 2 -9.885 0.752 10.315 1.00 0.00 ATOM 14 C SER 2 -9.864 -0.138 9.494 1.00 0.00 ATOM 15 N ILE 3 -9.786 0.123 8.190 1.00 0.00 ATOM 16 CA ILE 3 -9.678 1.500 7.697 1.00 0.00 ATOM 17 CB ILE 3 -8.186 1.947 7.794 1.00 0.00 ATOM 18 CG1 ILE 3 -8.033 3.425 7.439 1.00 0.00 ATOM 19 CG2 ILE 3 -7.327 1.085 6.881 1.00 0.00 ATOM 20 CD1 ILE 3 -6.652 3.980 7.768 1.00 0.00 ATOM 21 O ILE 3 -10.275 0.736 5.486 1.00 0.00 ATOM 22 C ILE 3 -10.241 1.682 6.275 1.00 0.00 ATOM 23 N THR 4 -10.767 2.867 5.981 1.00 0.00 ATOM 24 CA THR 4 -11.340 3.158 4.661 1.00 0.00 ATOM 25 CB THR 4 -12.675 3.933 4.745 1.00 0.00 ATOM 26 CG2 THR 4 -13.644 3.225 5.682 1.00 0.00 ATOM 27 OG1 THR 4 -12.433 5.262 5.221 1.00 0.00 ATOM 28 O THR 4 -9.304 4.387 4.280 1.00 0.00 ATOM 29 C THR 4 -10.356 3.956 3.803 1.00 0.00 ATOM 30 N SER 5 -10.694 4.143 2.536 1.00 0.00 ATOM 31 CA SER 5 -9.844 4.880 1.601 1.00 0.00 ATOM 32 CB SER 5 -10.450 4.841 0.198 1.00 0.00 ATOM 33 OG SER 5 -10.651 3.507 -0.234 1.00 0.00 ATOM 34 O SER 5 -8.543 6.866 1.950 1.00 0.00 ATOM 35 C SER 5 -9.652 6.337 2.021 1.00 0.00 ATOM 36 N THR 6 -10.748 6.994 2.402 1.00 0.00 ATOM 37 CA THR 6 -10.677 8.392 2.819 1.00 0.00 ATOM 38 CB THR 6 -12.118 8.963 3.009 1.00 0.00 ATOM 39 CG2 THR 6 -12.047 10.385 3.514 1.00 0.00 ATOM 40 OG1 THR 6 -12.785 8.935 1.747 1.00 0.00 ATOM 41 O THR 6 -8.922 9.440 4.080 1.00 0.00 ATOM 42 C THR 6 -9.758 8.528 4.022 1.00 0.00 ATOM 43 N ASP 7 -9.857 7.598 4.973 1.00 0.00 ATOM 44 CA ASP 7 -9.025 7.624 6.164 1.00 0.00 ATOM 45 CB ASP 7 -9.555 6.597 7.219 1.00 0.00 ATOM 46 CG ASP 7 -10.816 7.026 7.947 1.00 0.00 ATOM 47 OD1 ASP 7 -11.144 8.248 8.020 1.00 0.00 ATOM 48 OD2 ASP 7 -11.425 6.078 8.503 1.00 0.00 ATOM 49 O ASP 7 -6.681 7.919 6.530 1.00 0.00 ATOM 50 C ASP 7 -7.552 7.383 5.849 1.00 0.00 ATOM 51 N ILE 8 -7.263 6.569 4.841 1.00 0.00 ATOM 52 CA ILE 8 -5.852 6.332 4.507 1.00 0.00 ATOM 53 CB ILE 8 -5.747 5.213 3.436 1.00 0.00 ATOM 54 CG1 ILE 8 -6.242 3.891 4.031 1.00 0.00 ATOM 55 CG2 ILE 8 -4.316 5.080 2.942 1.00 0.00 ATOM 56 CD1 ILE 8 -6.267 2.736 3.053 1.00 0.00 ATOM 57 O ILE 8 -4.038 7.925 4.386 1.00 0.00 ATOM 58 C ILE 8 -5.178 7.598 4.011 1.00 0.00 ATOM 59 N CYS 9 -5.923 8.303 3.179 1.00 0.00 ATOM 60 CA CYS 9 -5.414 9.543 2.653 1.00 0.00 ATOM 61 CB CYS 9 -6.482 10.233 1.778 1.00 0.00 ATOM 62 SG CYS 9 -5.815 11.752 1.057 1.00 0.00 ATOM 63 O CYS 9 -4.033 11.107 3.827 1.00 0.00 ATOM 64 C CYS 9 -5.118 10.524 3.778 1.00 0.00 ATOM 65 N GLN 10 -6.063 10.696 4.698 1.00 0.00 ATOM 66 CA GLN 10 -5.860 11.570 5.846 1.00 0.00 ATOM 67 CB GLN 10 -7.150 11.690 6.661 1.00 0.00 ATOM 68 CG GLN 10 -8.258 12.460 5.961 1.00 0.00 ATOM 69 CD GLN 10 -9.553 12.459 6.752 1.00 0.00 ATOM 70 OE1 GLN 10 -9.662 11.800 7.790 1.00 0.00 ATOM 71 NE2 GLN 10 -10.544 13.196 6.263 1.00 0.00 ATOM 72 O GLN 10 -3.957 11.873 7.276 1.00 0.00 ATOM 73 C GLN 10 -4.733 11.078 6.748 1.00 0.00 ATOM 74 N ALA 11 -4.663 9.764 6.937 1.00 0.00 ATOM 75 CA ALA 11 -3.638 9.165 7.784 1.00 0.00 ATOM 76 CB ALA 11 -3.843 7.661 7.882 1.00 0.00 ATOM 77 O ALA 11 -1.331 9.776 8.027 1.00 0.00 ATOM 78 C ALA 11 -2.240 9.467 7.258 1.00 0.00 ATOM 79 N ALA 12 -2.071 9.378 5.939 1.00 0.00 ATOM 80 CA ALA 12 -0.781 9.644 5.319 1.00 0.00 ATOM 81 CB ALA 12 -0.839 9.356 3.822 1.00 0.00 ATOM 82 O ALA 12 0.758 11.392 5.892 1.00 0.00 ATOM 83 C ALA 12 -0.384 11.102 5.539 1.00 0.00 ATOM 84 N ASP 13 -1.330 12.019 5.338 1.00 0.00 ATOM 85 CA ASP 13 -1.040 13.434 5.527 1.00 0.00 ATOM 86 CB ASP 13 -2.263 14.263 5.128 1.00 0.00 ATOM 87 CG ASP 13 -2.516 14.327 3.627 1.00 0.00 ATOM 88 OD1 ASP 13 -1.647 13.943 2.881 1.00 0.00 ATOM 89 OD2 ASP 13 -3.627 14.610 3.246 1.00 0.00 ATOM 90 O ASP 13 0.262 14.546 7.194 1.00 0.00 ATOM 91 C ASP 13 -0.618 13.719 6.963 1.00 0.00 ATOM 92 N ALA 14 -1.231 13.033 7.910 1.00 0.00 ATOM 93 CA ALA 14 -0.921 13.204 9.323 1.00 0.00 ATOM 94 CB ALA 14 -1.950 12.460 10.163 1.00 0.00 ATOM 95 O ALA 14 1.175 13.386 10.479 1.00 0.00 ATOM 96 C ALA 14 0.513 12.789 9.628 1.00 0.00 ATOM 97 N LEU 15 1.041 11.684 8.968 1.00 0.00 ATOM 98 CA LEU 15 2.406 11.229 9.199 1.00 0.00 ATOM 99 CB LEU 15 2.485 9.702 9.062 1.00 0.00 ATOM 100 CG LEU 15 1.622 8.912 10.054 1.00 0.00 ATOM 101 CD1 LEU 15 1.896 7.421 9.911 1.00 0.00 ATOM 102 CD2 LEU 15 1.915 9.380 11.471 1.00 0.00 ATOM 103 O LEU 15 3.220 11.819 7.021 1.00 0.00 ATOM 104 C LEU 15 3.381 11.899 8.237 1.00 0.00 ATOM 105 N LYS 16 4.402 12.544 8.792 1.00 0.00 ATOM 106 CA LYS 16 5.435 13.181 7.986 1.00 0.00 ATOM 107 CB LYS 16 6.432 13.922 8.879 1.00 0.00 ATOM 108 CG LYS 16 5.858 15.145 9.582 1.00 0.00 ATOM 109 CD LYS 16 6.913 15.846 10.424 1.00 0.00 ATOM 110 CE LYS 16 6.339 17.065 11.130 1.00 0.00 ATOM 111 NZ LYS 16 7.355 17.747 11.979 1.00 0.00 ATOM 112 O LYS 16 6.389 11.007 7.706 1.00 0.00 ATOM 113 C LYS 16 6.101 12.077 7.172 1.00 0.00 ATOM 114 N GLY 17 6.357 12.307 5.803 1.00 0.00 ATOM 115 CA GLY 17 6.970 11.316 4.936 1.00 0.00 ATOM 116 O GLY 17 6.367 10.110 2.950 1.00 0.00 ATOM 117 C GLY 17 5.982 10.632 3.997 1.00 0.00 ATOM 118 N PHE 18 4.710 10.638 4.378 1.00 0.00 ATOM 119 CA PHE 18 3.656 10.080 3.539 1.00 0.00 ATOM 120 CB PHE 18 2.328 10.053 4.297 1.00 0.00 ATOM 121 CG PHE 18 2.271 9.017 5.384 1.00 0.00 ATOM 122 CD1 PHE 18 3.428 8.392 5.828 1.00 0.00 ATOM 123 CD2 PHE 18 1.062 8.665 5.964 1.00 0.00 ATOM 124 CE1 PHE 18 3.375 7.440 6.828 1.00 0.00 ATOM 125 CE2 PHE 18 1.007 7.714 6.965 1.00 0.00 ATOM 126 CZ PHE 18 2.167 7.102 7.397 1.00 0.00 ATOM 127 O PHE 18 3.544 12.100 2.251 1.00 0.00 ATOM 128 C PHE 18 3.523 10.870 2.243 1.00 0.00 ATOM 129 N VAL 19 3.383 10.155 1.132 1.00 0.00 ATOM 130 CA VAL 19 3.329 10.784 -0.183 1.00 0.00 ATOM 131 CB VAL 19 4.448 10.280 -1.111 1.00 0.00 ATOM 132 CG1 VAL 19 4.331 10.922 -2.487 1.00 0.00 ATOM 133 CG2 VAL 19 5.814 10.569 -0.504 1.00 0.00 ATOM 134 O VAL 19 1.270 11.470 -1.210 1.00 0.00 ATOM 135 C VAL 19 1.981 10.532 -0.853 1.00 0.00 ATOM 136 N GLY 20 1.653 9.259 -1.045 1.00 0.00 ATOM 137 CA GLY 20 0.446 8.882 -1.770 1.00 0.00 ATOM 138 O GLY 20 0.703 6.741 -0.733 1.00 0.00 ATOM 139 C GLY 20 -0.022 7.496 -1.376 1.00 0.00 ATOM 140 N PHE 21 -1.257 7.171 -1.687 1.00 0.00 ATOM 141 CA PHE 21 -1.859 5.880 -1.388 1.00 0.00 ATOM 142 CB PHE 21 -2.764 5.945 -0.152 1.00 0.00 ATOM 143 CG PHE 21 -4.059 6.719 -0.428 1.00 0.00 ATOM 144 CD1 PHE 21 -5.267 6.116 -0.737 1.00 0.00 ATOM 145 CD2 PHE 21 -4.016 8.110 -0.363 1.00 0.00 ATOM 146 CE1 PHE 21 -6.397 6.861 -0.994 1.00 0.00 ATOM 147 CE2 PHE 21 -5.148 8.870 -0.623 1.00 0.00 ATOM 148 CZ PHE 21 -6.341 8.245 -0.937 1.00 0.00 ATOM 149 O PHE 21 -3.076 6.262 -3.424 1.00 0.00 ATOM 150 C PHE 21 -2.569 5.388 -2.673 1.00 0.00 ATOM 151 N ASN 22 -2.587 4.080 -2.858 1.00 0.00 ATOM 152 CA ASN 22 -3.356 3.460 -3.936 1.00 0.00 ATOM 153 CB ASN 22 -2.390 2.408 -4.622 1.00 0.00 ATOM 154 CG ASN 22 -2.896 1.854 -5.939 1.00 0.00 ATOM 155 ND2 ASN 22 -2.549 0.615 -6.229 1.00 0.00 ATOM 156 OD1 ASN 22 -3.576 2.535 -6.690 1.00 0.00 ATOM 157 O ASN 22 -5.053 2.537 -2.495 1.00 0.00 ATOM 158 C ASN 22 -4.792 3.232 -3.478 1.00 0.00 ATOM 159 N ARG 23 -5.735 3.829 -4.188 1.00 0.00 ATOM 160 CA ARG 23 -7.120 3.879 -3.754 1.00 0.00 ATOM 161 CB ARG 23 -7.924 4.938 -4.494 1.00 0.00 ATOM 162 CG ARG 23 -7.556 6.373 -4.153 1.00 0.00 ATOM 163 CD ARG 23 -8.293 7.398 -4.938 1.00 0.00 ATOM 164 NE ARG 23 -7.940 8.771 -4.617 1.00 0.00 ATOM 165 CZ ARG 23 -8.402 9.853 -5.272 1.00 0.00 ATOM 166 NH1 ARG 23 -9.204 9.726 -6.306 1.00 0.00 ATOM 167 NH2 ARG 23 -8.009 11.048 -4.864 1.00 0.00 ATOM 168 O ARG 23 -8.558 2.116 -2.952 1.00 0.00 ATOM 169 C ARG 23 -7.747 2.527 -3.868 1.00 0.00 ATOM 170 N LYS 24 -7.436 1.750 -4.884 1.00 0.00 ATOM 171 CA LYS 24 -8.037 0.435 -5.084 1.00 0.00 ATOM 172 CB LYS 24 -7.588 -0.140 -6.428 1.00 0.00 ATOM 173 CG LYS 24 -8.164 0.577 -7.642 1.00 0.00 ATOM 174 CD LYS 24 -7.669 -0.048 -8.940 1.00 0.00 ATOM 175 CE LYS 24 -8.234 0.676 -10.153 1.00 0.00 ATOM 176 NZ LYS 24 -7.737 0.094 -11.429 1.00 0.00 ATOM 177 O LYS 24 -8.497 -1.383 -3.584 1.00 0.00 ATOM 178 C LYS 24 -7.693 -0.526 -3.950 1.00 0.00 ATOM 179 N THR 25 -6.491 -0.380 -3.403 1.00 0.00 ATOM 180 CA THR 25 -6.037 -1.233 -2.310 1.00 0.00 ATOM 181 CB THR 25 -4.620 -1.775 -2.573 1.00 0.00 ATOM 182 CG2 THR 25 -4.590 -2.585 -3.860 1.00 0.00 ATOM 183 OG1 THR 25 -3.700 -0.680 -2.679 1.00 0.00 ATOM 184 O THR 25 -5.959 -1.110 0.087 1.00 0.00 ATOM 185 C THR 25 -6.005 -0.492 -0.978 1.00 0.00 ATOM 186 N GLY 26 -6.031 0.836 -1.042 1.00 0.00 ATOM 187 CA GLY 26 -5.840 1.665 0.142 1.00 0.00 ATOM 188 O GLY 26 -3.941 2.092 1.522 1.00 0.00 ATOM 189 C GLY 26 -4.368 1.519 0.527 1.00 0.00 ATOM 190 N ARG 27 -3.586 0.732 -0.312 1.00 0.00 ATOM 191 CA ARG 27 -2.152 0.491 -0.076 1.00 0.00 ATOM 192 CB ARG 27 -1.436 -0.606 -0.848 1.00 0.00 ATOM 193 CG ARG 27 -2.002 -2.004 -0.647 1.00 0.00 ATOM 194 CD ARG 27 -1.333 -3.057 -1.453 1.00 0.00 ATOM 195 NE ARG 27 -1.857 -4.397 -1.244 1.00 0.00 ATOM 196 CZ ARG 27 -1.472 -5.485 -1.940 1.00 0.00 ATOM 197 NH1 ARG 27 -0.592 -5.392 -2.913 1.00 0.00 ATOM 198 NH2 ARG 27 -2.021 -6.648 -1.634 1.00 0.00 ATOM 199 O ARG 27 -1.121 2.343 -1.204 1.00 0.00 ATOM 200 C ARG 27 -1.341 1.783 -0.131 1.00 0.00 ATOM 201 N TYR 28 -0.907 2.252 1.033 1.00 0.00 ATOM 202 CA TYR 28 -0.073 3.446 1.114 1.00 0.00 ATOM 203 CB TYR 28 -0.020 3.959 2.554 1.00 0.00 ATOM 204 CG TYR 28 0.987 5.067 2.775 1.00 0.00 ATOM 205 CD1 TYR 28 0.860 6.284 2.122 1.00 0.00 ATOM 206 CD2 TYR 28 2.059 4.891 3.637 1.00 0.00 ATOM 207 CE1 TYR 28 1.777 7.299 2.319 1.00 0.00 ATOM 208 CE2 TYR 28 2.980 5.899 3.843 1.00 0.00 ATOM 209 CZ TYR 28 2.837 7.102 3.182 1.00 0.00 ATOM 210 OH TYR 28 3.751 8.110 3.384 1.00 0.00 ATOM 211 O TYR 28 1.862 2.110 0.742 1.00 0.00 ATOM 212 C TYR 28 1.297 3.185 0.553 1.00 0.00 ATOM 213 N ILE 29 1.868 4.191 -0.120 1.00 0.00 ATOM 214 CA ILE 29 3.233 4.114 -0.637 1.00 0.00 ATOM 215 CB ILE 29 3.366 4.033 -2.169 1.00 0.00 ATOM 216 CG1 ILE 29 2.721 2.748 -2.695 1.00 0.00 ATOM 217 CG2 ILE 29 4.828 4.104 -2.579 1.00 0.00 ATOM 218 CD1 ILE 29 2.614 2.690 -4.200 1.00 0.00 ATOM 219 O ILE 29 3.462 6.471 -0.248 1.00 0.00 ATOM 220 C ILE 29 3.942 5.348 -0.091 1.00 0.00 ATOM 221 N VAL 30 5.068 5.150 0.546 1.00 0.00 ATOM 222 CA VAL 30 5.865 6.220 1.132 1.00 0.00 ATOM 223 CB VAL 30 6.409 5.838 2.514 1.00 0.00 ATOM 224 CG1 VAL 30 7.228 7.000 3.074 1.00 0.00 ATOM 225 CG2 VAL 30 5.267 5.494 3.454 1.00 0.00 ATOM 226 O VAL 30 7.743 5.510 -0.186 1.00 0.00 ATOM 227 C VAL 30 7.127 6.455 0.309 1.00 0.00 ATOM 228 N ARG 31 7.506 7.721 0.164 1.00 0.00 ATOM 229 CA ARG 31 8.713 8.080 -0.571 1.00 0.00 ATOM 230 CB ARG 31 8.471 9.243 -1.522 1.00 0.00 ATOM 231 CG ARG 31 9.651 9.598 -2.412 1.00 0.00 ATOM 232 CD ARG 31 9.375 10.683 -3.388 1.00 0.00 ATOM 233 NE ARG 31 9.081 11.974 -2.785 1.00 0.00 ATOM 234 CZ ARG 31 10.012 12.871 -2.408 1.00 0.00 ATOM 235 NH1 ARG 31 11.293 12.612 -2.529 1.00 0.00 ATOM 236 NH2 ARG 31 9.600 14.015 -1.886 1.00 0.00 ATOM 237 O ARG 31 10.122 9.514 0.739 1.00 0.00 ATOM 238 C ARG 31 9.923 8.378 0.308 1.00 0.00 ATOM 239 N PHE 32 10.726 7.354 0.571 1.00 0.00 ATOM 240 CA PHE 32 11.906 7.501 1.416 1.00 0.00 ATOM 241 CB PHE 32 12.411 6.121 1.800 1.00 0.00 ATOM 242 CG PHE 32 13.722 6.143 2.580 1.00 0.00 ATOM 243 CD1 PHE 32 13.826 6.845 3.765 1.00 0.00 ATOM 244 CD2 PHE 32 14.796 5.457 2.090 1.00 0.00 ATOM 245 CE1 PHE 32 15.027 6.888 4.405 1.00 0.00 ATOM 246 CE2 PHE 32 16.007 5.499 2.770 1.00 0.00 ATOM 247 CZ PHE 32 16.116 6.238 3.939 1.00 0.00 ATOM 248 O PHE 32 13.670 9.126 1.477 1.00 0.00 ATOM 249 C PHE 32 12.945 8.415 0.779 1.00 0.00 ATOM 250 N SER 33 13.013 8.394 -0.548 1.00 0.00 ATOM 251 CA SER 33 13.965 9.218 -1.280 1.00 0.00 ATOM 252 CB SER 33 15.296 8.493 -1.414 1.00 0.00 ATOM 253 OG SER 33 15.208 7.486 -2.398 1.00 0.00 ATOM 254 O SER 33 12.473 8.904 -3.127 1.00 0.00 ATOM 255 C SER 33 13.518 9.409 -2.722 1.00 0.00 ATOM 256 N GLU 34 14.345 10.128 -3.492 1.00 0.00 ATOM 257 CA GLU 34 14.038 10.388 -4.890 1.00 0.00 ATOM 258 CB GLU 34 15.067 11.364 -5.466 1.00 0.00 ATOM 259 CG GLU 34 14.967 12.778 -4.914 1.00 0.00 ATOM 260 CD GLU 34 16.064 13.654 -5.454 1.00 0.00 ATOM 261 OE1 GLU 34 16.895 13.156 -6.173 1.00 0.00 ATOM 262 OE2 GLU 34 16.006 14.843 -5.242 1.00 0.00 ATOM 263 O GLU 34 13.275 9.040 -6.725 1.00 0.00 ATOM 264 C GLU 34 13.996 9.115 -5.731 1.00 0.00 ATOM 265 N ASP 35 14.787 8.027 -5.317 1.00 0.00 ATOM 266 CA ASP 35 14.815 6.763 -6.042 1.00 0.00 ATOM 267 CB ASP 35 16.223 6.481 -6.573 1.00 0.00 ATOM 268 CG ASP 35 17.286 6.350 -5.492 1.00 0.00 ATOM 269 OD1 ASP 35 16.972 6.563 -4.346 1.00 0.00 ATOM 270 OD2 ASP 35 18.361 5.890 -5.798 1.00 0.00 ATOM 271 O ASP 35 14.437 4.442 -5.506 1.00 0.00 ATOM 272 C ASP 35 14.259 5.622 -5.197 1.00 0.00 ATOM 273 N SER 36 13.627 5.959 -4.090 1.00 0.00 ATOM 274 CA SER 36 13.093 4.954 -3.172 1.00 0.00 ATOM 275 CB SER 36 13.672 5.169 -1.787 1.00 0.00 ATOM 276 OG SER 36 15.062 4.991 -1.765 1.00 0.00 ATOM 277 O SER 36 10.964 6.035 -2.974 1.00 0.00 ATOM 278 C SER 36 11.582 4.971 -3.010 1.00 0.00 ATOM 279 N PHE 37 11.108 3.699 -2.689 1.00 0.00 ATOM 280 CA PHE 37 9.661 3.619 -2.571 1.00 0.00 ATOM 281 CB PHE 37 8.946 3.729 -3.919 1.00 0.00 ATOM 282 CG PHE 37 9.177 5.036 -4.623 1.00 0.00 ATOM 283 CD1 PHE 37 10.168 5.155 -5.588 1.00 0.00 ATOM 284 CD2 PHE 37 8.406 6.147 -4.322 1.00 0.00 ATOM 285 CE1 PHE 37 10.381 6.357 -6.234 1.00 0.00 ATOM 286 CE2 PHE 37 8.617 7.350 -4.970 1.00 0.00 ATOM 287 CZ PHE 37 9.606 7.455 -5.926 1.00 0.00 ATOM 288 O PHE 37 9.809 1.250 -2.210 1.00 0.00 ATOM 289 C PHE 37 9.279 2.312 -1.883 1.00 0.00 ATOM 290 N GLY 38 8.358 2.397 -0.931 1.00 0.00 ATOM 291 CA GLY 38 7.938 1.231 -0.162 1.00 0.00 ATOM 292 O GLY 38 6.141 2.557 0.720 1.00 0.00 ATOM 293 C GLY 38 6.549 1.432 0.431 1.00 0.00 ATOM 294 N MET 39 5.824 0.331 0.612 1.00 0.00 ATOM 295 CA MET 39 4.500 0.377 1.221 1.00 0.00 ATOM 296 CB MET 39 3.470 -0.047 0.201 1.00 0.00 ATOM 297 CG MET 39 3.575 -1.365 -0.272 1.00 0.00 ATOM 298 SD MET 39 2.288 -1.870 -1.414 1.00 0.00 ATOM 299 CE MET 39 2.742 -0.976 -2.831 1.00 0.00 ATOM 300 O MET 39 5.103 -1.625 2.399 1.00 0.00 ATOM 301 C MET 39 4.373 -0.633 2.354 1.00 0.00 ATOM 302 N ASP 40 3.445 -0.376 3.269 1.00 0.00 ATOM 303 CA ASP 40 3.199 -1.283 4.386 1.00 0.00 ATOM 304 CB ASP 40 3.990 -0.832 5.617 1.00 0.00 ATOM 305 CG ASP 40 3.747 -1.672 6.863 1.00 0.00 ATOM 306 OD1 ASP 40 2.900 -2.533 6.819 1.00 0.00 ATOM 307 OD2 ASP 40 4.510 -1.558 7.792 1.00 0.00 ATOM 308 O ASP 40 1.021 -0.341 4.751 1.00 0.00 ATOM 309 C ASP 40 1.699 -1.364 4.649 1.00 0.00 ATOM 310 N VAL 41 1.189 -2.585 4.765 1.00 0.00 ATOM 311 CA VAL 41 -0.215 -2.802 5.089 1.00 0.00 ATOM 312 CB VAL 41 -0.858 -3.917 4.257 1.00 0.00 ATOM 313 CG1 VAL 41 -2.358 -4.010 4.622 1.00 0.00 ATOM 314 CG2 VAL 41 -0.657 -3.781 2.775 1.00 0.00 ATOM 315 O VAL 41 0.233 -4.051 7.097 1.00 0.00 ATOM 316 C VAL 41 -0.408 -3.141 6.572 1.00 0.00 ATOM 317 N ALA 42 -1.260 -2.396 7.232 1.00 0.00 ATOM 318 CA ALA 42 -1.559 -2.642 8.643 1.00 0.00 ATOM 319 CB ALA 42 -2.167 -1.394 9.268 1.00 0.00 ATOM 320 O ALA 42 -3.639 -3.825 8.458 1.00 0.00 ATOM 321 C ALA 42 -2.490 -3.825 8.894 1.00 0.00 ATOM 322 N ASP 43 -1.982 -4.830 9.600 1.00 0.00 ATOM 323 CA ASP 43 -2.761 -6.025 9.902 1.00 0.00 ATOM 324 CB ASP 43 -3.883 -5.731 10.901 1.00 0.00 ATOM 325 CG ASP 43 -4.479 -6.968 11.557 1.00 0.00 ATOM 326 OD1 ASP 43 -3.859 -8.003 11.507 1.00 0.00 ATOM 327 OD2 ASP 43 -5.472 -6.838 12.236 1.00 0.00 ATOM 328 O ASP 43 -4.532 -6.922 8.550 1.00 0.00 ATOM 329 C ASP 43 -3.346 -6.595 8.615 1.00 0.00 ATOM 330 N ASP 44 -2.506 -6.714 7.591 1.00 0.00 ATOM 331 CA ASP 44 -2.930 -7.272 6.312 1.00 0.00 ATOM 332 CB ASP 44 -3.102 -6.594 5.200 1.00 0.00 ATOM 333 CG ASP 44 -3.352 -7.508 4.016 1.00 0.00 ATOM 334 OD1 ASP 44 -4.389 -8.203 4.029 1.00 0.00 ATOM 335 OD2 ASP 44 -2.518 -7.529 3.086 1.00 0.00 ATOM 336 O ASP 44 -1.437 -9.114 6.086 1.00 0.00 ATOM 337 C ASP 44 -2.593 -8.749 6.163 1.00 0.00 ATOM 338 N SER 45 -3.653 -9.587 6.213 1.00 0.00 ATOM 339 CA SER 45 -3.480 -11.027 6.108 1.00 0.00 ATOM 340 CB SER 45 -4.788 -11.705 6.467 1.00 0.00 ATOM 341 OG SER 45 -5.792 -11.444 5.525 1.00 0.00 ATOM 342 O SER 45 -2.203 -12.400 4.620 1.00 0.00 ATOM 343 C SER 45 -3.016 -11.483 4.732 1.00 0.00 ATOM 344 N ILE 46 -3.542 -10.861 3.675 1.00 0.00 ATOM 345 CA ILE 46 -3.169 -11.229 2.318 1.00 0.00 ATOM 346 CB ILE 46 -4.058 -10.419 1.322 1.00 0.00 ATOM 347 CG1 ILE 46 -5.535 -10.801 1.506 1.00 0.00 ATOM 348 CG2 ILE 46 -3.627 -10.722 -0.117 1.00 0.00 ATOM 349 CD1 ILE 46 -6.498 -9.898 0.754 1.00 0.00 ATOM 350 O ILE 46 -1.034 -11.726 1.342 1.00 0.00 ATOM 351 C ILE 46 -1.712 -10.926 1.987 1.00 0.00 ATOM 352 N THR 47 -1.257 -9.685 2.419 1.00 0.00 ATOM 353 CA THR 47 0.093 -9.216 2.133 1.00 0.00 ATOM 354 CB THR 47 0.110 -8.222 0.957 1.00 0.00 ATOM 355 CG2 THR 47 -0.301 -8.913 -0.332 1.00 0.00 ATOM 356 OG1 THR 47 -0.796 -7.144 1.227 1.00 0.00 ATOM 357 O THR 47 0.528 -7.394 3.629 1.00 0.00 ATOM 358 C THR 47 0.682 -8.597 3.398 1.00 0.00 ATOM 359 N PRO 48 1.343 -9.411 4.224 1.00 0.00 ATOM 360 CA PRO 48 1.926 -8.863 5.455 1.00 0.00 ATOM 361 CB PRO 48 2.706 -10.056 6.036 1.00 0.00 ATOM 362 CG PRO 48 2.028 -11.245 5.446 1.00 0.00 ATOM 363 CD PRO 48 1.734 -10.806 4.031 1.00 0.00 ATOM 364 O PRO 48 3.398 -7.666 3.984 1.00 0.00 ATOM 365 C PRO 48 2.968 -7.796 5.129 1.00 0.00 ATOM 366 N THR 49 3.333 -7.009 6.134 1.00 0.00 ATOM 367 CA THR 49 4.304 -5.935 5.952 1.00 0.00 ATOM 368 CB THR 49 4.576 -5.194 7.274 1.00 0.00 ATOM 369 CG2 THR 49 5.659 -4.142 7.081 1.00 0.00 ATOM 370 OG1 THR 49 3.375 -4.558 7.726 1.00 0.00 ATOM 371 O THR 49 6.369 -5.811 4.735 1.00 0.00 ATOM 372 C THR 49 5.624 -6.497 5.434 1.00 0.00 ATOM 373 N SER 50 5.907 -7.747 5.786 1.00 0.00 ATOM 374 CA SER 50 7.145 -8.398 5.370 1.00 0.00 ATOM 375 CB SER 50 7.238 -9.783 5.979 1.00 0.00 ATOM 376 OG SER 50 7.360 -9.739 7.375 1.00 0.00 ATOM 377 O SER 50 8.304 -8.352 3.265 1.00 0.00 ATOM 378 C SER 50 7.228 -8.475 3.849 1.00 0.00 ATOM 379 N GLU 51 6.085 -8.660 3.200 1.00 0.00 ATOM 380 CA GLU 51 6.021 -8.735 1.752 1.00 0.00 ATOM 381 CB GLU 51 4.700 -9.369 1.307 1.00 0.00 ATOM 382 CG GLU 51 4.570 -9.562 -0.196 1.00 0.00 ATOM 383 CD GLU 51 3.284 -10.254 -0.549 1.00 0.00 ATOM 384 OE1 GLU 51 2.538 -10.573 0.346 1.00 0.00 ATOM 385 OE2 GLU 51 2.991 -10.365 -1.716 1.00 0.00 ATOM 386 O GLU 51 7.090 -7.185 0.263 1.00 0.00 ATOM 387 C GLU 51 6.281 -7.347 1.177 1.00 0.00 ATOM 388 N PHE 52 5.590 -6.348 1.717 1.00 0.00 ATOM 389 CA PHE 52 5.770 -4.968 1.281 1.00 0.00 ATOM 390 CB PHE 52 4.420 -4.360 1.026 1.00 0.00 ATOM 391 CG PHE 52 3.785 -4.877 -0.223 1.00 0.00 ATOM 392 CD1 PHE 52 2.775 -5.806 -0.175 1.00 0.00 ATOM 393 CD2 PHE 52 4.215 -4.428 -1.475 1.00 0.00 ATOM 394 CE1 PHE 52 2.183 -6.233 -1.307 1.00 0.00 ATOM 395 CE2 PHE 52 3.607 -4.838 -2.617 1.00 0.00 ATOM 396 CZ PHE 52 2.620 -5.765 -2.547 1.00 0.00 ATOM 397 O PHE 52 5.687 -3.830 3.393 1.00 0.00 ATOM 398 C PHE 52 6.348 -4.094 2.390 1.00 0.00 ATOM 399 N VAL 53 7.584 -3.648 2.200 1.00 0.00 ATOM 400 CA VAL 53 8.298 -2.904 3.231 1.00 0.00 ATOM 401 CB VAL 53 9.649 -3.540 3.605 1.00 0.00 ATOM 402 CG1 VAL 53 9.439 -4.923 4.203 1.00 0.00 ATOM 403 CG2 VAL 53 10.556 -3.620 2.387 1.00 0.00 ATOM 404 O VAL 53 8.613 -1.204 1.565 1.00 0.00 ATOM 405 C VAL 53 8.528 -1.471 2.763 1.00 0.00 ATOM 406 N TRP 54 8.630 -0.550 3.717 1.00 0.00 ATOM 407 CA TRP 54 8.967 0.834 3.413 1.00 0.00 ATOM 408 CB TRP 54 8.047 1.777 4.142 1.00 0.00 ATOM 409 CG TRP 54 8.619 3.180 4.099 1.00 0.00 ATOM 410 CD1 TRP 54 9.274 3.780 3.062 1.00 0.00 ATOM 411 CD2 TRP 54 8.594 4.141 5.176 1.00 0.00 ATOM 412 CE2 TRP 54 9.261 5.294 4.713 1.00 0.00 ATOM 413 CE3 TRP 54 8.100 4.125 6.494 1.00 0.00 ATOM 414 NE1 TRP 54 9.667 5.051 3.422 1.00 0.00 ATOM 415 CZ2 TRP 54 9.413 6.435 5.498 1.00 0.00 ATOM 416 CZ3 TRP 54 8.270 5.236 7.282 1.00 0.00 ATOM 417 CH2 TRP 54 8.935 6.371 6.773 1.00 0.00 ATOM 418 O TRP 54 10.495 1.166 5.270 1.00 0.00 ATOM 419 C TRP 54 10.289 1.231 4.059 1.00 0.00 ATOM 420 N SER 55 11.494 1.582 3.421 1.00 0.00 ATOM 421 CA SER 55 12.779 1.874 4.045 1.00 0.00 ATOM 422 CB SER 55 13.696 2.562 3.052 1.00 0.00 ATOM 423 OG SER 55 13.986 1.745 1.951 1.00 0.00 ATOM 424 O SER 55 11.753 3.573 5.390 1.00 0.00 ATOM 425 C SER 55 12.640 2.726 5.304 1.00 0.00 ATOM 426 N SER 56 13.486 2.554 6.264 1.00 0.00 ATOM 427 CA SER 56 13.471 3.353 7.479 1.00 0.00 ATOM 428 CB SER 56 14.682 3.075 8.337 1.00 0.00 ATOM 429 OG SER 56 14.626 3.798 9.555 1.00 0.00 ATOM 430 O SER 56 14.499 5.260 6.465 1.00 0.00 ATOM 431 C SER 56 13.613 4.849 7.214 1.00 0.00 ATOM 432 N VAL 57 12.808 5.649 8.021 1.00 0.00 ATOM 433 CA VAL 57 12.954 7.099 7.973 1.00 0.00 ATOM 434 CB VAL 57 11.913 7.805 8.863 1.00 0.00 ATOM 435 CG1 VAL 57 10.523 7.595 8.279 1.00 0.00 ATOM 436 CG2 VAL 57 11.976 7.284 10.291 1.00 0.00 ATOM 437 O VAL 57 14.887 6.819 9.368 1.00 0.00 ATOM 438 C VAL 57 14.290 7.535 8.564 1.00 0.00 ATOM 439 N ARG 58 14.757 8.710 8.154 1.00 0.00 ATOM 440 CA ARG 58 15.886 9.357 8.813 1.00 0.00 ATOM 441 CB ARG 58 15.863 10.820 8.564 1.00 0.00 ATOM 442 CG ARG 58 16.209 11.261 7.144 1.00 0.00 ATOM 443 CD ARG 58 16.153 12.760 6.886 1.00 0.00 ATOM 444 NE ARG 58 17.072 13.456 7.756 1.00 0.00 ATOM 445 CZ ARG 58 18.298 13.884 7.438 1.00 0.00 ATOM 446 NH1 ARG 58 18.792 13.698 6.227 1.00 0.00 ATOM 447 NH2 ARG 58 19.034 14.506 8.349 1.00 0.00 ATOM 448 O ARG 58 14.392 9.271 10.686 1.00 0.00 ATOM 449 C ARG 58 15.560 9.360 10.305 1.00 0.00 ATOM 450 N ASP 59 16.553 9.421 11.171 1.00 0.00 ATOM 451 CA ASP 59 16.335 9.432 12.617 1.00 0.00 ATOM 452 CB ASP 59 17.663 9.498 13.377 1.00 0.00 ATOM 453 CG ASP 59 18.507 8.235 13.281 1.00 0.00 ATOM 454 OD1 ASP 59 17.998 7.238 12.824 1.00 0.00 ATOM 455 OD2 ASP 59 19.689 8.315 13.514 1.00 0.00 ATOM 456 O ASP 59 14.487 10.327 13.842 1.00 0.00 ATOM 457 C ASP 59 15.414 10.558 13.070 1.00 0.00 ATOM 458 N ASP 60 15.624 11.748 12.532 1.00 0.00 ATOM 459 CA ASP 60 14.795 12.900 12.872 1.00 0.00 ATOM 460 CB ASP 60 15.449 14.177 12.338 1.00 0.00 ATOM 461 CG ASP 60 16.740 14.566 13.047 1.00 0.00 ATOM 462 OD1 ASP 60 17.010 14.019 14.090 1.00 0.00 ATOM 463 OD2 ASP 60 17.518 15.286 12.469 1.00 0.00 ATOM 464 O ASP 60 12.425 13.184 13.115 1.00 0.00 ATOM 465 C ASP 60 13.348 12.789 12.403 1.00 0.00 ATOM 466 N VAL 61 13.155 12.175 11.240 1.00 0.00 ATOM 467 CA VAL 61 11.816 11.966 10.698 1.00 0.00 ATOM 468 CB VAL 61 11.871 11.440 9.251 1.00 0.00 ATOM 469 CG1 VAL 61 10.477 11.068 8.767 1.00 0.00 ATOM 470 CG2 VAL 61 12.494 12.478 8.331 1.00 0.00 ATOM 471 O VAL 61 9.822 11.224 11.811 1.00 0.00 ATOM 472 C VAL 61 11.004 10.996 11.552 1.00 0.00 ATOM 473 N MET 62 11.645 9.917 11.983 1.00 0.00 ATOM 474 CA MET 62 11.009 8.951 12.872 1.00 0.00 ATOM 475 CB MET 62 12.014 7.883 13.296 1.00 0.00 ATOM 476 CG MET 62 11.449 6.826 14.236 1.00 0.00 ATOM 477 SD MET 62 12.692 5.631 14.766 1.00 0.00 ATOM 478 CE MET 62 13.666 6.628 15.889 1.00 0.00 ATOM 479 O MET 62 9.263 9.512 14.423 1.00 0.00 ATOM 480 C MET 62 10.432 9.681 14.084 1.00 0.00 ATOM 481 N ARG 63 11.242 10.505 14.731 1.00 0.00 ATOM 482 CA ARG 63 10.775 11.219 15.917 1.00 0.00 ATOM 483 CB ARG 63 11.924 11.912 16.636 1.00 0.00 ATOM 484 CG ARG 63 12.871 10.980 17.374 1.00 0.00 ATOM 485 CD ARG 63 14.018 11.662 18.026 1.00 0.00 ATOM 486 NE ARG 63 14.940 10.771 18.711 1.00 0.00 ATOM 487 CZ ARG 63 16.072 11.167 19.327 1.00 0.00 ATOM 488 NH1 ARG 63 16.444 12.428 19.315 1.00 0.00 ATOM 489 NH2 ARG 63 16.811 10.247 19.924 1.00 0.00 ATOM 490 O ARG 63 8.640 12.292 16.178 1.00 0.00 ATOM 491 C ARG 63 9.679 12.202 15.522 1.00 0.00 ATOM 492 N LEU 64 9.896 12.948 14.434 1.00 0.00 ATOM 493 CA LEU 64 8.909 13.920 13.996 1.00 0.00 ATOM 494 CB LEU 64 9.510 14.776 12.873 1.00 0.00 ATOM 495 CG LEU 64 10.652 15.705 13.301 1.00 0.00 ATOM 496 CD1 LEU 64 11.258 16.384 12.080 1.00 0.00 ATOM 497 CD2 LEU 64 10.124 16.737 14.286 1.00 0.00 ATOM 498 O LEU 64 6.532 13.737 13.786 1.00 0.00 ATOM 499 C LEU 64 7.630 13.245 13.525 1.00 0.00 ATOM 500 N GLY 65 7.777 12.042 12.947 1.00 0.00 ATOM 501 CA GLY 65 6.615 11.276 12.509 1.00 0.00 ATOM 502 O GLY 65 4.498 10.859 13.557 1.00 0.00 ATOM 503 C GLY 65 5.723 10.791 13.646 1.00 0.00 ATOM 504 N ARG 66 6.347 10.347 14.732 1.00 0.00 ATOM 505 CA ARG 66 5.613 9.917 15.915 1.00 0.00 ATOM 506 CB ARG 66 6.515 9.232 16.931 1.00 0.00 ATOM 507 CG ARG 66 7.021 7.860 16.514 1.00 0.00 ATOM 508 CD ARG 66 7.960 7.234 17.480 1.00 0.00 ATOM 509 NE ARG 66 8.458 5.927 17.076 1.00 0.00 ATOM 510 CZ ARG 66 9.382 5.219 17.753 1.00 0.00 ATOM 511 NH1 ARG 66 9.941 5.699 18.841 1.00 0.00 ATOM 512 NH2 ARG 66 9.733 4.036 17.279 1.00 0.00 ATOM 513 O ARG 66 3.736 10.877 17.062 1.00 0.00 ATOM 514 C ARG 66 4.845 11.064 16.561 1.00 0.00 ATOM 515 N GLU 67 5.432 12.256 16.527 1.00 0.00 ATOM 516 CA GLU 67 4.777 13.449 17.051 1.00 0.00 ATOM 517 CB GLU 67 5.707 14.660 16.945 1.00 0.00 ATOM 518 CG GLU 67 5.121 15.953 17.497 1.00 0.00 ATOM 519 CD GLU 67 6.100 17.089 17.386 1.00 0.00 ATOM 520 OE1 GLU 67 7.188 16.864 16.913 1.00 0.00 ATOM 521 OE2 GLU 67 5.722 18.200 17.667 1.00 0.00 ATOM 522 O GLU 67 2.426 13.916 16.921 1.00 0.00 ATOM 523 C GLU 67 3.475 13.722 16.307 1.00 0.00 ATOM 524 N GLN 68 3.548 13.733 14.978 1.00 0.00 ATOM 525 CA GLN 68 2.373 13.964 14.148 1.00 0.00 ATOM 526 CB GLN 68 2.769 14.063 12.673 1.00 0.00 ATOM 527 CG GLN 68 3.602 15.288 12.334 1.00 0.00 ATOM 528 CD GLN 68 2.865 16.583 12.613 1.00 0.00 ATOM 529 OE1 GLN 68 1.686 16.731 12.272 1.00 0.00 ATOM 530 NE2 GLN 68 3.556 17.535 13.232 1.00 0.00 ATOM 531 O GLN 68 0.139 13.104 14.386 1.00 0.00 ATOM 532 C GLN 68 1.342 12.852 14.335 1.00 0.00 ATOM 533 N LEU 69 1.830 11.615 14.481 1.00 0.00 ATOM 534 CA LEU 69 0.947 10.477 14.678 1.00 0.00 ATOM 535 CB LEU 69 1.747 9.179 14.638 1.00 0.00 ATOM 536 CG LEU 69 0.940 7.916 14.945 1.00 0.00 ATOM 537 CD1 LEU 69 -0.277 7.832 14.023 1.00 0.00 ATOM 538 CD2 LEU 69 1.828 6.688 14.776 1.00 0.00 ATOM 539 O LEU 69 -1.031 10.354 16.032 1.00 0.00 ATOM 540 C LEU 69 0.175 10.592 15.987 1.00 0.00 ATOM 541 N GLN 70 0.880 10.962 17.052 1.00 0.00 ATOM 542 CA GLN 70 0.264 11.105 18.367 1.00 0.00 ATOM 543 CB GLN 70 1.359 11.255 19.462 1.00 0.00 ATOM 544 CG GLN 70 2.082 9.918 19.751 1.00 0.00 ATOM 545 CD GLN 70 3.055 9.915 20.962 1.00 0.00 ATOM 546 OE1 GLN 70 2.653 10.172 22.097 1.00 0.00 ATOM 547 NE2 GLN 70 4.325 9.623 20.700 1.00 0.00 ATOM 548 O GLN 70 -1.833 12.115 18.967 1.00 0.00 ATOM 549 C GLN 70 -0.768 12.239 18.366 1.00 0.00 ATOM 550 N ILE 71 -0.461 13.296 17.647 1.00 0.00 ATOM 551 CA ILE 71 -1.383 14.437 17.554 1.00 0.00 ATOM 552 CB ILE 71 -0.732 15.621 16.817 1.00 0.00 ATOM 553 CG1 ILE 71 0.417 16.199 17.647 1.00 0.00 ATOM 554 CG2 ILE 71 -1.767 16.693 16.514 1.00 0.00 ATOM 555 CD1 ILE 71 1.279 17.187 16.895 1.00 0.00 ATOM 556 O ILE 71 -3.769 14.384 17.297 1.00 0.00 ATOM 557 C ILE 71 -2.676 14.042 16.845 1.00 0.00 ATOM 558 N LEU 72 -2.544 13.306 15.748 1.00 0.00 ATOM 559 CA LEU 72 -3.701 12.844 14.991 1.00 0.00 ATOM 560 CB LEU 72 -3.231 12.191 13.700 1.00 0.00 ATOM 561 CG LEU 72 -4.307 11.719 12.748 1.00 0.00 ATOM 562 CD1 LEU 72 -5.102 12.848 12.154 1.00 0.00 ATOM 563 CD2 LEU 72 -3.595 10.926 11.660 1.00 0.00 ATOM 564 O LEU 72 -5.785 11.939 15.766 1.00 0.00 ATOM 565 C LEU 72 -4.557 11.883 15.811 1.00 0.00 ATOM 566 N LEU 73 -3.899 11.026 16.584 1.00 0.00 ATOM 567 CA LEU 73 -4.598 10.085 17.452 1.00 0.00 ATOM 568 CB LEU 73 -3.596 9.126 18.108 1.00 0.00 ATOM 569 CG LEU 73 -4.180 8.223 19.203 1.00 0.00 ATOM 570 CD1 LEU 73 -5.267 7.332 18.621 1.00 0.00 ATOM 571 CD2 LEU 73 -3.067 7.387 19.818 1.00 0.00 ATOM 572 O LEU 73 -6.592 10.584 18.681 1.00 0.00 ATOM 573 C LEU 73 -5.408 10.854 18.488 1.00 0.00 ATOM 574 N GLU 74 -4.787 11.842 19.125 1.00 0.00 ATOM 575 CA GLU 74 -5.484 12.628 20.137 1.00 0.00 ATOM 576 CB GLU 74 -4.444 13.482 20.900 1.00 0.00 ATOM 577 CG GLU 74 -3.526 12.682 21.816 1.00 0.00 ATOM 578 CD GLU 74 -2.410 13.520 22.414 1.00 0.00 ATOM 579 OE1 GLU 74 -1.803 13.077 23.412 1.00 0.00 ATOM 580 OE2 GLU 74 -2.134 14.617 21.883 1.00 0.00 ATOM 581 O GLU 74 -7.646 13.670 20.183 1.00 0.00 ATOM 582 C GLU 74 -6.602 13.487 19.558 1.00 0.00 ATOM 583 N GLN 75 -6.374 14.018 18.359 1.00 0.00 ATOM 584 CA GLN 75 -7.381 14.816 17.672 1.00 0.00 ATOM 585 CB GLN 75 -6.759 15.396 16.388 1.00 0.00 ATOM 586 CG GLN 75 -7.608 16.424 15.678 1.00 0.00 ATOM 587 CD GLN 75 -6.966 16.934 14.394 1.00 0.00 ATOM 588 OE1 GLN 75 -5.899 16.463 13.978 1.00 0.00 ATOM 589 NE2 GLN 75 -7.624 17.892 13.751 1.00 0.00 ATOM 590 O GLN 75 -9.745 14.423 17.567 1.00 0.00 ATOM 591 C GLN 75 -8.616 13.967 17.387 1.00 0.00 ATOM 592 N ASN 76 -8.367 12.743 16.971 1.00 0.00 ATOM 593 CA ASN 76 -9.476 11.843 16.685 1.00 0.00 ATOM 594 CB ASN 76 -8.743 10.314 16.539 1.00 0.00 ATOM 595 CG ASN 76 -8.966 9.589 15.214 1.00 0.00 ATOM 596 ND2 ASN 76 -8.019 9.787 14.296 1.00 0.00 ATOM 597 OD1 ASN 76 -9.999 8.945 15.030 1.00 0.00 ATOM 598 O ASN 76 -11.480 11.700 18.021 1.00 0.00 ATOM 599 C ASN 76 -10.252 11.614 17.986 1.00 0.00 ATOM 600 N ILE 77 -9.506 11.404 19.059 1.00 0.00 ATOM 601 CA ILE 77 -10.094 11.190 20.380 1.00 0.00 ATOM 602 CB ILE 77 -9.054 10.656 21.381 1.00 0.00 ATOM 603 CG1 ILE 77 -8.550 9.277 20.943 1.00 0.00 ATOM 604 CG2 ILE 77 -9.649 10.587 22.780 1.00 0.00 ATOM 605 CD1 ILE 77 -7.352 8.789 21.727 1.00 0.00 ATOM 606 O ILE 77 -12.035 12.498 21.024 1.00 0.00 ATOM 607 C ILE 77 -10.814 12.472 20.774 1.00 0.00 ATOM 608 N ASN 78 -10.040 13.557 20.800 1.00 0.00 ATOM 609 CA ASN 78 -10.626 14.854 21.252 1.00 0.00 ATOM 610 CB ASN 78 -9.539 15.896 21.433 1.00 0.00 ATOM 611 CG ASN 78 -8.661 15.655 22.629 1.00 0.00 ATOM 612 ND2 ASN 78 -7.520 16.295 22.630 1.00 0.00 ATOM 613 OD1 ASN 78 -9.043 14.953 23.573 1.00 0.00 ATOM 614 O ASN 78 -12.620 16.052 20.659 1.00 0.00 ATOM 615 C ASN 78 -11.691 15.342 20.275 1.00 0.00 ATOM 616 N GLU 79 -11.578 14.930 18.951 1.00 0.00 ATOM 617 CA GLU 79 -12.550 15.279 17.923 1.00 0.00 ATOM 618 CB GLU 79 -11.766 16.034 16.787 1.00 0.00 ATOM 619 CG GLU 79 -12.573 16.302 15.529 1.00 0.00 ATOM 620 CD GLU 79 -11.826 17.168 14.531 1.00 0.00 ATOM 621 OE1 GLU 79 -12.263 17.242 13.363 1.00 0.00 ATOM 622 OE2 GLU 79 -10.808 17.783 14.913 1.00 0.00 ATOM 623 O GLU 79 -14.487 14.289 16.911 1.00 0.00 ATOM 624 C GLU 79 -13.660 14.239 17.820 1.00 0.00 ATOM 625 N ARG 80 -13.631 13.260 18.718 1.00 0.00 ATOM 626 CA ARG 80 -14.655 12.222 18.752 1.00 0.00 ATOM 627 CB ARG 80 -16.025 12.787 19.096 1.00 0.00 ATOM 628 CG ARG 80 -16.128 13.415 20.477 1.00 0.00 ATOM 629 CD ARG 80 -17.487 13.905 20.828 1.00 0.00 ATOM 630 NE ARG 80 -17.551 14.671 22.062 1.00 0.00 ATOM 631 CZ ARG 80 -18.680 15.202 22.572 1.00 0.00 ATOM 632 NH1 ARG 80 -19.828 15.089 21.944 1.00 0.00 ATOM 633 NH2 ARG 80 -18.595 15.866 23.714 1.00 0.00 ATOM 634 O ARG 80 -15.758 11.174 16.896 1.00 0.00 ATOM 635 C ARG 80 -14.687 11.450 17.438 1.00 0.00 ATOM 636 N LEU 81 -13.510 11.071 16.950 1.00 0.00 ATOM 637 CA LEU 81 -13.405 10.303 15.715 1.00 0.00 ATOM 638 CB LEU 81 -12.240 10.806 14.882 1.00 0.00 ATOM 639 CG LEU 81 -12.378 12.257 14.398 1.00 0.00 ATOM 640 CD1 LEU 81 -11.082 12.721 13.755 1.00 0.00 ATOM 641 CD2 LEU 81 -13.534 12.355 13.418 1.00 0.00 ATOM 642 O LEU 81 -12.863 8.466 17.160 1.00 0.00 ATOM 643 C LEU 81 -13.155 8.830 16.022 1.00 0.00 ATOM 644 N ASN 82 -13.230 7.996 14.990 1.00 0.00 ATOM 645 CA ASN 82 -12.849 6.593 15.110 1.00 0.00 ATOM 646 CB ASN 82 -13.178 5.818 13.848 1.00 0.00 ATOM 647 CG ASN 82 -14.653 5.669 13.596 1.00 0.00 ATOM 648 ND2 ASN 82 -14.991 5.375 12.366 1.00 0.00 ATOM 649 OD1 ASN 82 -15.472 5.744 14.519 1.00 0.00 ATOM 650 O ASN 82 -10.503 7.015 14.832 1.00 0.00 ATOM 651 C ASN 82 -11.376 6.411 15.458 1.00 0.00 ATOM 652 N ILE 83 -11.103 5.531 16.415 1.00 0.00 ATOM 653 CA ILE 83 -9.733 5.238 16.818 1.00 0.00 ATOM 654 CB ILE 83 -9.606 4.962 18.341 1.00 0.00 ATOM 655 CG1 ILE 83 -10.541 3.830 18.768 1.00 0.00 ATOM 656 CG2 ILE 83 -9.900 6.242 19.139 1.00 0.00 ATOM 657 CD1 ILE 83 -10.332 3.371 20.207 1.00 0.00 ATOM 658 O ILE 83 -7.933 3.837 16.072 1.00 0.00 ATOM 659 C ILE 83 -9.123 4.131 15.965 1.00 0.00 ATOM 660 N GLY 84 -9.922 3.586 15.055 1.00 0.00 ATOM 661 CA GLY 84 -9.490 2.458 14.236 1.00 0.00 ATOM 662 O GLY 84 -7.336 2.133 13.226 1.00 0.00 ATOM 663 C GLY 84 -8.338 2.843 13.316 1.00 0.00 ATOM 664 N GLU 85 -8.491 4.036 12.615 1.00 0.00 ATOM 665 CA GLU 85 -7.462 4.532 11.709 1.00 0.00 ATOM 666 CB GLU 85 -7.937 5.805 11.005 1.00 0.00 ATOM 667 CG GLU 85 -6.941 6.381 10.008 1.00 0.00 ATOM 668 CD GLU 85 -7.466 7.642 9.378 1.00 0.00 ATOM 669 OE1 GLU 85 -8.563 8.032 9.699 1.00 0.00 ATOM 670 OE2 GLU 85 -6.727 8.276 8.664 1.00 0.00 ATOM 671 O GLU 85 -5.095 4.323 12.045 1.00 0.00 ATOM 672 C GLU 85 -6.157 4.804 12.448 1.00 0.00 ATOM 673 N PRO 86 -6.221 5.664 13.458 1.00 0.00 ATOM 674 CA PRO 86 -5.041 6.028 14.233 1.00 0.00 ATOM 675 CB PRO 86 -5.577 6.993 15.303 1.00 0.00 ATOM 676 CG PRO 86 -7.048 6.700 15.388 1.00 0.00 ATOM 677 CD PRO 86 -7.448 6.259 14.003 1.00 0.00 ATOM 678 O PRO 86 -3.162 4.659 14.836 1.00 0.00 ATOM 679 C PRO 86 -4.387 4.778 14.817 1.00 0.00 ATOM 680 N LEU 87 -5.214 3.838 15.264 1.00 0.00 ATOM 681 CA LEU 87 -4.717 2.598 15.848 1.00 0.00 ATOM 682 CB LEU 87 -5.874 1.816 16.481 1.00 0.00 ATOM 683 CG LEU 87 -6.496 2.463 17.725 1.00 0.00 ATOM 684 CD1 LEU 87 -7.739 1.694 18.149 1.00 0.00 ATOM 685 CD2 LEU 87 -5.470 2.492 18.850 1.00 0.00 ATOM 686 O LEU 87 -2.924 1.183 15.106 1.00 0.00 ATOM 687 C LEU 87 -3.993 1.726 14.826 1.00 0.00 ATOM 688 N LEU 88 -4.567 1.623 13.632 1.00 0.00 ATOM 689 CA LEU 88 -3.977 0.821 12.569 1.00 0.00 ATOM 690 CB LEU 88 -4.779 0.934 11.290 1.00 0.00 ATOM 691 CG LEU 88 -4.238 0.113 10.112 1.00 0.00 ATOM 692 CD1 LEU 88 -4.198 -1.376 10.495 1.00 0.00 ATOM 693 CD2 LEU 88 -5.103 0.346 8.891 1.00 0.00 ATOM 694 O LEU 88 -1.631 0.616 12.124 1.00 0.00 ATOM 695 C LEU 88 -2.610 1.359 12.165 1.00 0.00 ATOM 696 N VAL 89 -2.528 2.662 11.895 1.00 0.00 ATOM 697 CA VAL 89 -1.277 3.291 11.497 1.00 0.00 ATOM 698 CB VAL 89 -1.498 4.767 11.086 1.00 0.00 ATOM 699 CG1 VAL 89 -0.172 5.409 10.684 1.00 0.00 ATOM 700 CG2 VAL 89 -2.494 4.836 9.925 1.00 0.00 ATOM 701 O VAL 89 0.945 3.010 12.376 1.00 0.00 ATOM 702 C VAL 89 -0.244 3.232 12.620 1.00 0.00 ATOM 703 N TYR 90 -0.703 3.443 13.846 1.00 0.00 ATOM 704 CA TYR 90 0.176 3.405 15.009 1.00 0.00 ATOM 705 CB TYR 90 -0.623 3.646 16.288 1.00 0.00 ATOM 706 CG TYR 90 0.226 3.625 17.546 1.00 0.00 ATOM 707 CD1 TYR 90 0.805 4.792 18.038 1.00 0.00 ATOM 708 CD2 TYR 90 0.470 2.430 18.223 1.00 0.00 ATOM 709 CE1 TYR 90 1.618 4.774 19.184 1.00 0.00 ATOM 710 CE2 TYR 90 1.277 2.398 19.368 1.00 0.00 ATOM 711 CZ TYR 90 1.848 3.572 19.840 1.00 0.00 ATOM 712 OH TYR 90 2.665 3.537 20.959 1.00 0.00 ATOM 713 O TYR 90 2.089 1.953 15.173 1.00 0.00 ATOM 714 C TYR 90 0.864 2.039 15.078 1.00 0.00 ATOM 715 N LEU 91 0.068 0.978 15.002 1.00 0.00 ATOM 716 CA LEU 91 0.594 -0.380 15.077 1.00 0.00 ATOM 717 CB LEU 91 -0.560 -1.383 15.113 1.00 0.00 ATOM 718 CG LEU 91 -1.419 -1.281 16.382 1.00 0.00 ATOM 719 CD1 LEU 91 -2.698 -2.075 16.216 1.00 0.00 ATOM 720 CD2 LEU 91 -0.619 -1.786 17.583 1.00 0.00 ATOM 721 O LEU 91 2.505 -1.493 14.143 1.00 0.00 ATOM 722 C LEU 91 1.543 -0.758 13.925 1.00 0.00 ATOM 723 N ARG 92 1.305 -0.204 12.659 1.00 0.00 ATOM 724 CA ARG 92 2.187 -0.462 11.525 1.00 0.00 ATOM 725 CB ARG 92 1.218 -0.329 10.234 1.00 0.00 ATOM 726 CG ARG 92 1.916 -0.334 8.904 1.00 0.00 ATOM 727 CD ARG 92 1.018 0.148 7.834 1.00 0.00 ATOM 728 NE ARG 92 0.568 1.524 8.003 1.00 0.00 ATOM 729 CZ ARG 92 1.236 2.598 7.573 1.00 0.00 ATOM 730 NH1 ARG 92 2.428 2.523 6.955 1.00 0.00 ATOM 731 NH2 ARG 92 0.708 3.795 7.778 1.00 0.00 ATOM 732 O ARG 92 4.505 -0.134 11.065 1.00 0.00 ATOM 733 C ARG 92 3.513 0.243 11.726 1.00 0.00 ATOM 734 N ARG 93 3.512 1.206 12.705 1.00 0.00 ATOM 735 CA ARG 93 4.726 1.986 12.938 1.00 0.00 ATOM 736 CB ARG 93 4.129 3.291 13.778 1.00 0.00 ATOM 737 CG ARG 93 5.028 4.544 14.016 1.00 0.00 ATOM 738 CD ARG 93 5.463 5.290 12.729 1.00 0.00 ATOM 739 NE ARG 93 6.045 6.622 12.985 1.00 0.00 ATOM 740 CZ ARG 93 7.047 7.169 12.289 1.00 0.00 ATOM 741 NH1 ARG 93 7.621 6.514 11.280 1.00 0.00 ATOM 742 NH2 ARG 93 7.456 8.404 12.566 1.00 0.00 ATOM 743 O ARG 93 7.013 1.335 13.239 1.00 0.00 ATOM 744 C ARG 93 5.837 1.144 13.559 1.00 0.00 ATOM 745 N GLN 94 5.459 0.216 14.420 1.00 0.00 ATOM 746 CA GLN 94 6.446 -0.650 15.057 1.00 0.00 ATOM 747 CB GLN 94 5.732 -1.521 16.168 1.00 0.00 ATOM 748 CG GLN 94 5.124 -0.678 17.288 1.00 0.00 ATOM 749 CD GLN 94 4.464 -1.505 18.372 1.00 0.00 ATOM 750 OE1 GLN 94 3.881 -2.557 18.105 1.00 0.00 ATOM 751 NE2 GLN 94 4.528 -1.017 19.604 1.00 0.00 ATOM 752 O GLN 94 8.307 -1.802 14.063 1.00 0.00 ATOM 753 C GLN 94 7.095 -1.565 14.019 1.00 0.00 ATOM 754 N ASP 95 6.296 -2.089 13.048 1.00 0.00 ATOM 755 CA ASP 95 6.809 -2.965 11.996 1.00 0.00 ATOM 756 CB ASP 95 5.740 -3.674 11.200 1.00 0.00 ATOM 757 CG ASP 95 4.872 -4.585 12.043 1.00 0.00 ATOM 758 OD1 ASP 95 5.235 -4.843 13.214 1.00 0.00 ATOM 759 OD2 ASP 95 3.834 -5.047 11.520 1.00 0.00 ATOM 760 O ASP 95 8.790 -2.785 10.654 1.00 0.00 ATOM 761 C ASP 95 7.750 -2.250 11.040 1.00 0.00 ATOM 762 N LEU 96 7.463 -0.998 10.721 1.00 0.00 ATOM 763 CA LEU 96 8.313 -0.181 9.914 1.00 0.00 ATOM 764 CB LEU 96 7.570 1.126 9.489 1.00 0.00 ATOM 765 CG LEU 96 6.395 0.895 8.504 1.00 0.00 ATOM 766 CD1 LEU 96 5.475 2.092 8.490 1.00 0.00 ATOM 767 CD2 LEU 96 6.944 0.512 7.210 1.00 0.00 ATOM 768 O LEU 96 10.706 -0.064 10.079 1.00 0.00 ATOM 769 C LEU 96 9.634 0.104 10.651 1.00 0.00 ATOM 770 N PRO 97 9.524 0.450 11.907 1.00 0.00 ATOM 771 CA PRO 97 10.732 0.688 12.697 1.00 0.00 ATOM 772 CB PRO 97 10.207 1.249 14.018 1.00 0.00 ATOM 773 CG PRO 97 8.951 1.923 13.632 1.00 0.00 ATOM 774 CD PRO 97 8.332 1.001 12.602 1.00 0.00 ATOM 775 O PRO 97 12.780 -0.500 12.775 1.00 0.00 ATOM 776 C PRO 97 11.535 -0.585 12.836 1.00 0.00 ATOM 777 N GLU 98 10.911 -1.793 12.975 1.00 0.00 ATOM 778 CA GLU 98 11.635 -3.064 13.028 1.00 0.00 ATOM 779 CB GLU 98 10.659 -4.219 13.285 1.00 0.00 ATOM 780 CG GLU 98 11.331 -5.584 13.359 1.00 0.00 ATOM 781 CD GLU 98 10.333 -6.735 13.459 1.00 0.00 ATOM 782 OE1 GLU 98 9.557 -6.785 14.441 1.00 0.00 ATOM 783 OE2 GLU 98 10.330 -7.591 12.549 1.00 0.00 ATOM 784 O GLU 98 13.537 -3.825 11.770 1.00 0.00 ATOM 785 C GLU 98 12.405 -3.340 11.738 1.00 0.00 ATOM 786 N ILE 99 11.781 -2.988 10.638 1.00 0.00 ATOM 787 CA ILE 99 12.390 -3.161 9.323 1.00 0.00 ATOM 788 CB ILE 99 11.328 -2.881 8.193 1.00 0.00 ATOM 789 CG1 ILE 99 10.409 -4.093 8.178 1.00 0.00 ATOM 790 CG2 ILE 99 12.068 -2.642 6.784 1.00 0.00 ATOM 791 CD1 ILE 99 9.048 -3.879 7.384 1.00 0.00 ATOM 792 O ILE 99 14.665 -2.720 8.674 1.00 0.00 ATOM 793 C ILE 99 13.618 -2.271 9.140 1.00 0.00 ATOM 794 N THR 100 13.486 -1.028 9.548 1.00 0.00 ATOM 795 CA THR 100 14.578 -0.084 9.467 1.00 0.00 ATOM 796 CB THR 100 14.411 1.226 10.542 1.00 0.00 ATOM 797 CG2 THR 100 15.020 2.592 10.072 1.00 0.00 ATOM 798 OG1 THR 100 13.024 1.438 10.853 1.00 0.00 ATOM 799 O THR 100 16.850 -0.533 9.924 1.00 0.00 ATOM 800 C THR 100 15.724 -0.576 10.358 1.00 0.00 ATOM 801 N ALA 101 15.429 -1.128 11.571 1.00 0.00 ATOM 802 CA ALA 101 16.466 -1.644 12.463 1.00 0.00 ATOM 803 CB ALA 101 15.805 -2.157 13.737 1.00 0.00 ATOM 804 O ALA 101 18.356 -2.828 11.725 1.00 0.00 ATOM 805 C ALA 101 17.153 -2.778 11.815 1.00 0.00 ATOM 806 N GLN 102 16.386 -3.733 11.327 1.00 0.00 ATOM 807 CA GLN 102 17.035 -4.907 10.744 1.00 0.00 ATOM 808 CB GLN 102 15.917 -6.069 10.769 1.00 0.00 ATOM 809 CG GLN 102 16.187 -7.219 11.764 1.00 0.00 ATOM 810 CD GLN 102 17.637 -7.673 11.781 1.00 0.00 ATOM 811 OE1 GLN 102 18.254 -7.659 12.868 1.00 0.00 ATOM 812 NE2 GLN 102 18.164 -8.054 10.601 1.00 0.00 ATOM 813 O GLN 102 18.835 -5.320 9.207 1.00 0.00 ATOM 814 C GLN 102 17.859 -4.617 9.512 1.00 0.00 ATOM 815 N ARG 103 17.403 -3.585 8.785 1.00 0.00 ATOM 816 CA ARG 103 18.002 -3.176 7.520 1.00 0.00 ATOM 817 CB ARG 103 17.025 -2.672 6.501 1.00 0.00 ATOM 818 CG ARG 103 15.835 -3.599 6.269 1.00 0.00 ATOM 819 CD ARG 103 14.888 -3.052 5.214 1.00 0.00 ATOM 820 NE ARG 103 15.431 -3.207 3.874 1.00 0.00 ATOM 821 CZ ARG 103 15.716 -2.191 3.063 1.00 0.00 ATOM 822 NH1 ARG 103 15.525 -0.916 3.439 1.00 0.00 ATOM 823 NH2 ARG 103 16.207 -2.464 1.844 1.00 0.00 ATOM 824 O ARG 103 19.750 -1.662 6.892 1.00 0.00 ATOM 825 C ARG 103 19.159 -2.244 7.780 1.00 0.00 ATOM 826 N GLN 104 19.410 -1.900 9.059 1.00 0.00 ATOM 827 CA GLN 104 20.522 -1.006 9.366 1.00 0.00 ATOM 828 CB GLN 104 21.827 -1.613 8.932 1.00 0.00 ATOM 829 CG GLN 104 22.000 -3.055 9.379 1.00 0.00 ATOM 830 CD GLN 104 23.395 -3.586 9.127 1.00 0.00 ATOM 831 OE1 GLN 104 23.967 -3.383 8.053 1.00 0.00 ATOM 832 NE2 GLN 104 23.948 -4.277 10.114 1.00 0.00 ATOM 833 O GLN 104 21.288 0.865 8.130 1.00 0.00 ATOM 834 C GLN 104 20.330 0.357 8.699 1.00 0.00 ATOM 835 N LEU 105 19.076 0.900 8.781 1.00 0.00 ATOM 836 CA LEU 105 18.950 2.169 8.102 1.00 0.00 ATOM 837 CB LEU 105 17.804 2.133 7.012 1.00 0.00 ATOM 838 CG LEU 105 18.043 1.140 5.897 1.00 0.00 ATOM 839 CD1 LEU 105 16.845 1.129 4.919 1.00 0.00 ATOM 840 CD2 LEU 105 19.290 1.732 5.124 1.00 0.00 ATOM 841 O LEU 105 17.790 3.198 9.800 1.00 0.00 ATOM 842 C LEU 105 18.597 3.332 8.944 1.00 0.00 ATOM 843 N ARG 106 19.159 4.605 8.527 1.00 0.00 ATOM 844 CA ARG 106 18.614 5.817 9.177 1.00 0.00 ATOM 845 CB ARG 106 19.466 7.055 8.853 1.00 0.00 ATOM 846 CG ARG 106 18.868 8.357 9.381 1.00 0.00 ATOM 847 CD ARG 106 19.831 9.530 9.251 1.00 0.00 ATOM 848 NE ARG 106 20.979 9.410 10.149 1.00 0.00 ATOM 849 CZ ARG 106 22.238 9.279 9.737 1.00 0.00 ATOM 850 NH1 ARG 106 22.511 9.250 8.439 1.00 0.00 ATOM 851 NH2 ARG 106 23.224 9.190 10.623 1.00 0.00 ATOM 852 O ARG 106 16.924 6.069 7.503 1.00 0.00 ATOM 853 C ARG 106 17.184 6.049 8.706 1.00 0.00 TER END