PFRMAT TS TARGET T0288 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 10000 (t04) or 15000 (t2k) templates (the t06 library is still METHOD being built, and is expected to have around 8000 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 New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD METHOD METHOD 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 10000 (t04) or 15000 (t2k) templates (the t06 library is still METHOD being built, and is expected to have around 8000 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 This prediction has no optimization done, but just SCWRL-based METHOD sidechain replacement on alignment METHOD T0288-1g9oA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5 REMARK 6 REMARK 6 T0288 model 4 Mon May 22 11:45:13 2006 MODEL 4 PARENT 1g9oA REMARK 7 REMARK 7 ALLPARENTS 2fne_A 1xz9_A 1t2m_A 1wfv_A 1x6d_A 2fcf_A 1g9o_A REMARK 7 ALLPARENTS 1ihj_A 1q3o_A 1mfg_A ATOM 2 N MET 2 -6.126 -15.636 -10.816 1.00 0.00 ATOM 3 CA MET 2 -5.611 -14.695 -11.783 1.00 0.00 ATOM 4 CB MET 2 -6.537 -13.481 -11.895 1.00 0.00 ATOM 5 CG MET 2 -7.861 -13.772 -12.580 1.00 0.00 ATOM 6 SD MET 2 -8.880 -12.297 -12.781 1.00 0.00 ATOM 7 CE MET 2 -10.317 -12.986 -13.599 1.00 0.00 ATOM 8 O MET 2 -3.829 -14.204 -10.244 1.00 0.00 ATOM 9 C MET 2 -4.231 -14.187 -11.407 1.00 0.00 ATOM 10 N VAL 3 -3.511 -13.743 -12.422 1.00 0.00 ATOM 11 CA VAL 3 -2.151 -13.256 -12.252 1.00 0.00 ATOM 12 CB VAL 3 -1.482 -12.967 -13.609 1.00 0.00 ATOM 13 CG1 VAL 3 -1.429 -14.229 -14.456 1.00 0.00 ATOM 14 CG2 VAL 3 -2.262 -11.908 -14.372 1.00 0.00 ATOM 15 O VAL 3 -2.958 -11.166 -11.411 1.00 0.00 ATOM 16 C VAL 3 -2.028 -11.972 -11.458 1.00 0.00 ATOM 17 N PRO 4 -0.877 -11.779 -10.795 1.00 0.00 ATOM 18 CA PRO 4 -0.656 -10.551 -10.035 1.00 0.00 ATOM 19 CB PRO 4 0.692 -10.777 -9.348 1.00 0.00 ATOM 20 CG PRO 4 0.834 -12.261 -9.285 1.00 0.00 ATOM 21 CD PRO 4 0.218 -12.793 -10.548 1.00 0.00 ATOM 22 O PRO 4 -0.296 -9.711 -12.263 1.00 0.00 ATOM 23 C PRO 4 -0.645 -9.457 -11.106 1.00 0.00 ATOM 24 N GLY 5 -0.987 -8.237 -10.707 1.00 0.00 ATOM 25 CA GLY 5 -1.117 -7.110 -11.615 1.00 0.00 ATOM 26 O GLY 5 -0.360 -5.647 -9.894 1.00 0.00 ATOM 27 C GLY 5 -0.347 -5.906 -11.092 1.00 0.00 ATOM 28 N LYS 6 0.321 -5.181 -11.981 1.00 0.00 ATOM 29 CA LYS 6 1.076 -3.997 -11.574 1.00 0.00 ATOM 30 CB LYS 6 2.364 -3.875 -12.391 1.00 0.00 ATOM 31 CG LYS 6 3.247 -2.705 -11.989 1.00 0.00 ATOM 32 CD LYS 6 4.603 -2.776 -12.673 1.00 0.00 ATOM 33 CE LYS 6 4.506 -2.373 -14.135 1.00 0.00 ATOM 34 NZ LYS 6 5.831 -2.420 -14.813 1.00 0.00 ATOM 35 O LYS 6 -0.262 -2.488 -12.868 1.00 0.00 ATOM 36 C LYS 6 0.265 -2.726 -11.781 1.00 0.00 ATOM 37 N VAL 7 0.164 -1.917 -10.728 1.00 0.00 ATOM 38 CA VAL 7 -0.552 -0.643 -10.770 1.00 0.00 ATOM 39 CB VAL 7 -1.649 -0.576 -9.691 1.00 0.00 ATOM 40 CG1 VAL 7 -2.352 0.772 -9.731 1.00 0.00 ATOM 41 CG2 VAL 7 -2.684 -1.667 -9.917 1.00 0.00 ATOM 42 O VAL 7 1.172 0.433 -9.505 1.00 0.00 ATOM 43 C VAL 7 0.481 0.447 -10.526 1.00 0.00 ATOM 44 N THR 8 0.594 1.390 -11.452 1.00 0.00 ATOM 45 CA THR 8 1.571 2.463 -11.322 1.00 0.00 ATOM 46 CB THR 8 2.388 2.642 -12.614 1.00 0.00 ATOM 47 CG2 THR 8 3.390 3.776 -12.459 1.00 0.00 ATOM 48 OG1 THR 8 3.098 1.433 -12.908 1.00 0.00 ATOM 49 O THR 8 0.224 4.372 -11.883 1.00 0.00 ATOM 50 C THR 8 0.873 3.782 -11.020 1.00 0.00 ATOM 51 N LEU 9 1.003 4.237 -9.779 1.00 0.00 ATOM 52 CA LEU 9 0.338 5.459 -9.336 1.00 0.00 ATOM 53 CB LEU 9 -0.159 5.308 -7.897 1.00 0.00 ATOM 54 CG LEU 9 -1.489 4.573 -7.713 1.00 0.00 ATOM 55 CD1 LEU 9 -1.413 3.171 -8.295 1.00 0.00 ATOM 56 CD2 LEU 9 -1.840 4.459 -6.237 1.00 0.00 ATOM 57 O LEU 9 2.377 6.658 -8.955 1.00 0.00 ATOM 58 C LEU 9 1.212 6.706 -9.352 1.00 0.00 ATOM 59 N GLN 10 0.645 7.820 -9.803 1.00 0.00 ATOM 60 CA GLN 10 1.342 9.109 -9.815 1.00 0.00 ATOM 61 CB GLN 10 1.105 9.834 -11.141 1.00 0.00 ATOM 62 CG GLN 10 1.846 11.154 -11.269 1.00 0.00 ATOM 63 CD GLN 10 1.630 11.817 -12.615 1.00 0.00 ATOM 64 OE1 GLN 10 1.010 11.241 -13.508 1.00 0.00 ATOM 65 NE2 GLN 10 2.141 13.034 -12.763 1.00 0.00 ATOM 66 O GLN 10 -0.453 10.151 -8.632 1.00 0.00 ATOM 67 C GLN 10 0.748 9.889 -8.646 1.00 0.00 ATOM 68 N LYS 11 1.570 10.275 -7.669 1.00 0.00 ATOM 69 CA LYS 11 1.025 10.976 -6.506 1.00 0.00 ATOM 70 CB LYS 11 2.142 11.339 -5.527 1.00 0.00 ATOM 71 CG LYS 11 1.657 12.002 -4.248 1.00 0.00 ATOM 72 CD LYS 11 2.808 12.274 -3.296 1.00 0.00 ATOM 73 CE LYS 11 2.319 12.913 -2.007 1.00 0.00 ATOM 74 NZ LYS 11 3.440 13.210 -1.072 1.00 0.00 ATOM 75 O LYS 11 0.816 13.047 -7.713 1.00 0.00 ATOM 76 C LYS 11 0.317 12.267 -6.893 1.00 0.00 ATOM 77 N ASP 12 -0.849 12.479 -6.285 1.00 0.00 ATOM 78 CA ASP 12 -1.670 13.640 -6.583 1.00 0.00 ATOM 79 CB ASP 12 -3.130 13.227 -6.780 1.00 0.00 ATOM 80 CG ASP 12 -3.913 14.230 -7.604 1.00 0.00 ATOM 81 OD1 ASP 12 -3.380 15.331 -7.862 1.00 0.00 ATOM 82 OD2 ASP 12 -5.059 13.918 -7.989 1.00 0.00 ATOM 83 O ASP 12 -0.986 14.643 -4.528 1.00 0.00 ATOM 84 C ASP 12 -1.698 14.728 -5.527 1.00 0.00 ATOM 85 N ALA 13 -2.554 15.753 -5.713 1.00 0.00 ATOM 86 CA ALA 13 -2.663 16.870 -4.773 1.00 0.00 ATOM 87 CB ALA 13 -3.874 17.729 -5.108 1.00 0.00 ATOM 88 O ALA 13 -2.303 17.238 -2.449 1.00 0.00 ATOM 89 C ALA 13 -2.820 16.520 -3.307 1.00 0.00 ATOM 90 N GLN 14 -3.520 15.431 -3.006 1.00 0.00 ATOM 91 CA GLN 14 -3.708 15.030 -1.619 1.00 0.00 ATOM 92 CB GLN 14 -5.200 14.952 -1.283 1.00 0.00 ATOM 93 CG GLN 14 -5.938 16.273 -1.427 1.00 0.00 ATOM 94 CD GLN 14 -7.403 16.164 -1.053 1.00 0.00 ATOM 95 OE1 GLN 14 -7.891 15.084 -0.717 1.00 0.00 ATOM 96 NE2 GLN 14 -8.112 17.286 -1.111 1.00 0.00 ATOM 97 O GLN 14 -3.387 13.087 -0.263 1.00 0.00 ATOM 98 C GLN 14 -3.106 13.666 -1.310 1.00 0.00 ATOM 99 N ASN 15 -2.266 13.159 -2.204 1.00 0.00 ATOM 100 CA ASN 15 -1.654 11.862 -1.962 1.00 0.00 ATOM 101 CB ASN 15 -2.066 11.323 -0.591 1.00 0.00 ATOM 102 CG ASN 15 -3.552 11.034 -0.501 1.00 0.00 ATOM 103 ND2 ASN 15 -3.998 10.598 0.672 1.00 0.00 ATOM 104 OD1 ASN 15 -4.287 11.202 -1.474 1.00 0.00 ATOM 105 O ASN 15 -2.444 11.175 -4.116 1.00 0.00 ATOM 106 C ASN 15 -2.061 10.829 -2.999 1.00 0.00 ATOM 110 N ILE 17 -1.978 9.560 -2.618 1.00 0.00 ATOM 111 CA ILE 17 -2.348 8.465 -3.514 1.00 0.00 ATOM 112 CB ILE 17 -1.560 7.181 -3.192 1.00 0.00 ATOM 113 CG1 ILE 17 -0.070 7.387 -3.470 1.00 0.00 ATOM 114 CG2 ILE 17 -2.054 6.024 -4.047 1.00 0.00 ATOM 115 CD1 ILE 17 0.806 6.261 -2.965 1.00 0.00 ATOM 116 O ILE 17 -4.414 7.592 -4.348 1.00 0.00 ATOM 117 C ILE 17 -3.828 8.117 -3.411 1.00 0.00 ATOM 118 N GLY 18 -4.427 8.375 -2.264 1.00 0.00 ATOM 119 CA GLY 18 -5.852 8.144 -2.151 1.00 0.00 ATOM 120 O GLY 18 -7.454 6.418 -2.431 1.00 0.00 ATOM 121 C GLY 18 -6.390 6.758 -1.909 1.00 0.00 ATOM 122 N ILE 19 -5.673 5.935 -1.160 1.00 0.00 ATOM 123 CA ILE 19 -6.218 4.635 -0.818 1.00 0.00 ATOM 124 CB ILE 19 -5.616 3.523 -1.694 1.00 0.00 ATOM 125 CG1 ILE 19 -4.099 3.459 -1.511 1.00 0.00 ATOM 126 CG2 ILE 19 -5.914 3.782 -3.163 1.00 0.00 ATOM 127 CD1 ILE 19 -3.453 2.259 -2.169 1.00 0.00 ATOM 128 O ILE 19 -5.144 5.099 1.273 1.00 0.00 ATOM 129 C ILE 19 -5.895 4.347 0.637 1.00 0.00 ATOM 130 N SER 20 -6.474 3.270 1.157 1.00 0.00 ATOM 131 CA SER 20 -6.316 2.875 2.546 1.00 0.00 ATOM 132 CB SER 20 -7.611 3.123 3.323 1.00 0.00 ATOM 133 OG SER 20 -7.935 4.502 3.348 1.00 0.00 ATOM 134 O SER 20 -6.485 0.589 1.880 1.00 0.00 ATOM 135 C SER 20 -5.972 1.404 2.659 1.00 0.00 ATOM 136 N ILE 21 -5.116 1.087 3.634 1.00 0.00 ATOM 137 CA ILE 21 -4.677 -0.281 3.871 1.00 0.00 ATOM 138 CB ILE 21 -3.144 -0.402 3.797 1.00 0.00 ATOM 139 CG1 ILE 21 -2.486 0.495 4.847 1.00 0.00 ATOM 140 CG2 ILE 21 -2.643 0.015 2.423 1.00 0.00 ATOM 141 CD1 ILE 21 -0.993 0.287 4.979 1.00 0.00 ATOM 142 O ILE 21 -5.233 -0.078 6.195 1.00 0.00 ATOM 143 C ILE 21 -5.079 -0.822 5.230 1.00 0.00 ATOM 144 N GLY 22 -5.243 -2.135 5.292 1.00 0.00 ATOM 145 CA GLY 22 -5.528 -2.804 6.547 1.00 0.00 ATOM 146 O GLY 22 -5.059 -4.733 5.221 1.00 0.00 ATOM 147 C GLY 22 -5.233 -4.273 6.349 1.00 0.00 ATOM 148 N GLY 23 -5.132 -5.006 7.449 1.00 0.00 ATOM 149 CA GLY 23 -4.869 -6.427 7.350 1.00 0.00 ATOM 150 O GLY 23 -7.244 -6.503 7.103 1.00 0.00 ATOM 151 C GLY 23 -6.193 -7.141 7.156 1.00 0.00 ATOM 152 N GLY 24 -6.151 -8.461 7.025 1.00 0.00 ATOM 153 CA GLY 24 -7.378 -9.224 6.867 1.00 0.00 ATOM 154 O GLY 24 -6.328 -10.879 8.243 1.00 0.00 ATOM 155 C GLY 24 -7.384 -10.380 7.844 1.00 0.00 ATOM 156 N ALA 25 -8.587 -10.790 8.229 1.00 0.00 ATOM 157 CA ALA 25 -8.772 -11.877 9.176 1.00 0.00 ATOM 158 CB ALA 25 -10.254 -12.128 9.413 1.00 0.00 ATOM 159 O ALA 25 -8.464 -13.633 7.570 1.00 0.00 ATOM 160 C ALA 25 -8.153 -13.175 8.673 1.00 0.00 ATOM 161 N GLN 26 -7.263 -13.746 9.480 1.00 0.00 ATOM 162 CA GLN 26 -6.604 -14.989 9.120 1.00 0.00 ATOM 163 CB GLN 26 -7.593 -15.948 8.456 1.00 0.00 ATOM 164 CG GLN 26 -8.746 -16.370 9.353 1.00 0.00 ATOM 165 CD GLN 26 -9.657 -17.386 8.691 1.00 0.00 ATOM 166 OE1 GLN 26 -9.275 -18.539 8.490 1.00 0.00 ATOM 167 NE2 GLN 26 -10.867 -16.960 8.351 1.00 0.00 ATOM 168 O GLN 26 -4.824 -15.858 7.781 1.00 0.00 ATOM 169 C GLN 26 -5.443 -14.856 8.151 1.00 0.00 ATOM 173 N CYS 28 -5.126 -13.628 7.746 1.00 0.00 ATOM 174 CA CYS 28 -4.042 -13.405 6.792 1.00 0.00 ATOM 175 CB CYS 28 -4.556 -12.653 5.562 1.00 0.00 ATOM 176 SG CYS 28 -5.883 -13.499 4.670 1.00 0.00 ATOM 177 O CYS 28 -3.005 -11.823 8.283 1.00 0.00 ATOM 178 C CYS 28 -2.867 -12.584 7.324 1.00 0.00 ATOM 179 N PRO 29 -1.713 -12.743 6.681 1.00 0.00 ATOM 180 CA PRO 29 -0.490 -12.049 7.082 1.00 0.00 ATOM 181 CB PRO 29 0.634 -12.963 6.587 1.00 0.00 ATOM 182 CG PRO 29 0.045 -13.679 5.417 1.00 0.00 ATOM 183 CD PRO 29 -1.409 -13.880 5.743 1.00 0.00 ATOM 184 O PRO 29 0.241 -9.770 7.215 1.00 0.00 ATOM 185 C PRO 29 -0.275 -10.650 6.517 1.00 0.00 ATOM 186 N CYS 30 -0.666 -10.443 5.262 1.00 0.00 ATOM 187 CA CYS 30 -0.428 -9.158 4.624 1.00 0.00 ATOM 188 CB CYS 30 -0.228 -9.336 3.117 1.00 0.00 ATOM 189 SG CYS 30 -1.646 -10.053 2.255 1.00 0.00 ATOM 190 O CYS 30 -2.438 -8.081 5.424 1.00 0.00 ATOM 191 C CYS 30 -1.447 -8.039 4.689 1.00 0.00 ATOM 192 N LEU 31 -1.178 -7.019 3.881 1.00 0.00 ATOM 193 CA LEU 31 -2.027 -5.843 3.806 1.00 0.00 ATOM 194 CB LEU 31 -1.178 -4.570 3.759 1.00 0.00 ATOM 195 CG LEU 31 -0.660 -4.051 5.102 1.00 0.00 ATOM 196 CD1 LEU 31 0.183 -5.108 5.797 1.00 0.00 ATOM 197 CD2 LEU 31 0.198 -2.811 4.904 1.00 0.00 ATOM 198 O LEU 31 -2.475 -6.289 1.495 1.00 0.00 ATOM 199 C LEU 31 -2.905 -5.863 2.563 1.00 0.00 ATOM 200 N TYR 32 -4.137 -5.379 2.726 1.00 0.00 ATOM 201 CA TYR 32 -5.130 -5.337 1.660 1.00 0.00 ATOM 202 CB TYR 32 -6.276 -6.307 1.957 1.00 0.00 ATOM 203 CG TYR 32 -5.847 -7.754 2.040 1.00 0.00 ATOM 204 CD1 TYR 32 -5.439 -8.306 3.250 1.00 0.00 ATOM 205 CD2 TYR 32 -5.850 -8.565 0.913 1.00 0.00 ATOM 206 CE1 TYR 32 -5.044 -9.628 3.336 1.00 0.00 ATOM 207 CE2 TYR 32 -5.460 -9.888 0.981 1.00 0.00 ATOM 208 CZ TYR 32 -5.055 -10.417 2.206 1.00 0.00 ATOM 209 OH TYR 32 -4.663 -11.733 2.290 1.00 0.00 ATOM 210 O TYR 32 -5.678 -3.155 2.487 1.00 0.00 ATOM 211 C TYR 32 -5.700 -3.941 1.533 1.00 0.00 ATOM 212 N ILE 33 -6.211 -3.622 0.353 1.00 0.00 ATOM 213 CA ILE 33 -6.799 -2.304 0.130 1.00 0.00 ATOM 214 CB ILE 33 -6.903 -1.979 -1.371 1.00 0.00 ATOM 215 CG1 ILE 33 -5.521 -2.035 -2.026 1.00 0.00 ATOM 216 CG2 ILE 33 -7.476 -0.584 -1.576 1.00 0.00 ATOM 217 CD1 ILE 33 -4.530 -1.052 -1.444 1.00 0.00 ATOM 218 O ILE 33 -9.095 -2.993 0.315 1.00 0.00 ATOM 219 C ILE 33 -8.196 -2.264 0.728 1.00 0.00 ATOM 220 N VAL 34 -8.362 -1.423 1.736 1.00 0.00 ATOM 221 CA VAL 34 -9.645 -1.283 2.413 1.00 0.00 ATOM 222 CB VAL 34 -9.487 -0.609 3.789 1.00 0.00 ATOM 223 CG1 VAL 34 -10.849 -0.351 4.414 1.00 0.00 ATOM 224 CG2 VAL 34 -8.687 -1.499 4.728 1.00 0.00 ATOM 225 O VAL 34 -11.843 -0.724 1.607 1.00 0.00 ATOM 226 C VAL 34 -10.642 -0.435 1.620 1.00 0.00 ATOM 227 N GLN 35 -10.147 0.609 0.960 1.00 0.00 ATOM 228 CA GLN 35 -10.988 1.526 0.215 1.00 0.00 ATOM 229 CB GLN 35 -11.724 2.472 1.166 1.00 0.00 ATOM 230 CG GLN 35 -12.663 3.444 0.473 1.00 0.00 ATOM 231 CD GLN 35 -13.439 4.303 1.450 1.00 0.00 ATOM 232 OE1 GLN 35 -13.205 4.252 2.659 1.00 0.00 ATOM 233 NE2 GLN 35 -14.367 5.099 0.932 1.00 0.00 ATOM 234 O GLN 35 -9.010 2.732 -0.387 1.00 0.00 ATOM 235 C GLN 35 -10.133 2.351 -0.731 1.00 0.00 ATOM 236 N VAL 36 -10.656 2.587 -1.932 1.00 0.00 ATOM 237 CA VAL 36 -9.994 3.429 -2.922 1.00 0.00 ATOM 238 CB VAL 36 -9.908 2.730 -4.290 1.00 0.00 ATOM 239 CG1 VAL 36 -9.248 3.641 -5.314 1.00 0.00 ATOM 240 CG2 VAL 36 -9.089 1.451 -4.186 1.00 0.00 ATOM 241 O VAL 36 -12.062 4.634 -3.256 1.00 0.00 ATOM 242 C VAL 36 -10.852 4.697 -3.017 1.00 0.00 ATOM 243 N PHE 37 -10.249 5.857 -2.813 1.00 0.00 ATOM 244 CA PHE 37 -11.025 7.091 -2.874 1.00 0.00 ATOM 245 CB PHE 37 -10.256 8.239 -2.218 1.00 0.00 ATOM 246 CG PHE 37 -10.175 8.138 -0.722 1.00 0.00 ATOM 247 CD1 PHE 37 -9.061 7.589 -0.110 1.00 0.00 ATOM 248 CD2 PHE 37 -11.212 8.593 0.075 1.00 0.00 ATOM 249 CE1 PHE 37 -8.987 7.494 1.266 1.00 0.00 ATOM 250 CE2 PHE 37 -11.136 8.499 1.451 1.00 0.00 ATOM 251 CZ PHE 37 -10.031 7.953 2.048 1.00 0.00 ATOM 252 O PHE 37 -10.459 7.465 -5.178 1.00 0.00 ATOM 253 C PHE 37 -11.329 7.497 -4.307 1.00 0.00 ATOM 254 N ASP 38 -12.593 7.854 -4.585 1.00 0.00 ATOM 255 CA ASP 38 -12.975 8.268 -5.933 1.00 0.00 ATOM 256 CB ASP 38 -14.440 8.708 -5.964 1.00 0.00 ATOM 257 CG ASP 38 -15.401 7.542 -5.853 1.00 0.00 ATOM 258 OD1 ASP 38 -14.944 6.384 -5.949 1.00 0.00 ATOM 259 OD2 ASP 38 -16.612 7.788 -5.670 1.00 0.00 ATOM 260 O ASP 38 -11.853 10.358 -5.661 1.00 0.00 ATOM 261 C ASP 38 -12.125 9.433 -6.421 1.00 0.00 ATOM 262 N ASN 39 -11.726 9.368 -7.693 1.00 0.00 ATOM 263 CA ASN 39 -10.918 10.397 -8.324 1.00 0.00 ATOM 264 CB ASN 39 -11.410 11.788 -7.918 1.00 0.00 ATOM 265 CG ASN 39 -12.789 12.102 -8.465 1.00 0.00 ATOM 266 ND2 ASN 39 -13.536 12.928 -7.743 1.00 0.00 ATOM 267 OD1 ASN 39 -13.174 11.606 -9.524 1.00 0.00 ATOM 268 O ASN 39 -8.671 11.183 -8.531 1.00 0.00 ATOM 269 C ASN 39 -9.436 10.382 -7.998 1.00 0.00 ATOM 270 N THR 40 -9.028 9.450 -7.150 1.00 0.00 ATOM 271 CA THR 40 -7.641 9.366 -6.709 1.00 0.00 ATOM 272 CB THR 40 -7.506 8.515 -5.432 1.00 0.00 ATOM 273 CG2 THR 40 -8.367 9.088 -4.316 1.00 0.00 ATOM 274 OG1 THR 40 -7.929 7.173 -5.701 1.00 0.00 ATOM 275 O THR 40 -7.056 8.118 -8.658 1.00 0.00 ATOM 276 C THR 40 -6.665 8.750 -7.687 1.00 0.00 ATOM 277 N PRO 41 -5.367 8.967 -7.449 1.00 0.00 ATOM 278 CA PRO 41 -4.366 8.367 -8.334 1.00 0.00 ATOM 279 CB PRO 41 -3.031 8.848 -7.763 1.00 0.00 ATOM 280 CG PRO 41 -3.360 10.129 -7.072 1.00 0.00 ATOM 281 CD PRO 41 -4.720 9.935 -6.461 1.00 0.00 ATOM 282 O PRO 41 -4.283 6.130 -9.234 1.00 0.00 ATOM 283 C PRO 41 -4.529 6.839 -8.262 1.00 0.00 ATOM 284 N ALA 42 -4.943 6.334 -7.108 1.00 0.00 ATOM 285 CA ALA 42 -5.160 4.899 -6.945 1.00 0.00 ATOM 286 CB ALA 42 -5.581 4.585 -5.517 1.00 0.00 ATOM 287 O ALA 42 -6.124 3.394 -8.542 1.00 0.00 ATOM 288 C ALA 42 -6.256 4.437 -7.896 1.00 0.00 ATOM 289 N ALA 43 -7.348 5.194 -7.982 1.00 0.00 ATOM 290 CA ALA 43 -8.417 4.804 -8.898 1.00 0.00 ATOM 291 CB ALA 43 -9.614 5.731 -8.742 1.00 0.00 ATOM 292 O ALA 43 -8.187 3.968 -11.137 1.00 0.00 ATOM 293 C ALA 43 -7.930 4.879 -10.352 1.00 0.00 ATOM 294 N LEU 44 -7.201 5.942 -10.690 1.00 0.00 ATOM 295 CA LEU 44 -6.696 6.128 -12.056 1.00 0.00 ATOM 296 CB LEU 44 -5.935 7.450 -12.170 1.00 0.00 ATOM 297 CG LEU 44 -6.772 8.725 -12.056 1.00 0.00 ATOM 298 CD1 LEU 44 -5.877 9.955 -12.019 1.00 0.00 ATOM 299 CD2 LEU 44 -7.714 8.859 -13.243 1.00 0.00 ATOM 300 O LEU 44 -5.634 4.707 -13.679 1.00 0.00 ATOM 301 C LEU 44 -5.742 5.015 -12.482 1.00 0.00 ATOM 302 N ASP 45 -5.049 4.423 -11.513 1.00 0.00 ATOM 303 CA ASP 45 -4.107 3.345 -11.798 1.00 0.00 ATOM 304 CB ASP 45 -2.973 3.338 -10.770 1.00 0.00 ATOM 305 CG ASP 45 -2.141 4.604 -10.811 1.00 0.00 ATOM 306 OD1 ASP 45 -1.733 5.010 -11.920 1.00 0.00 ATOM 307 OD2 ASP 45 -1.896 5.189 -9.736 1.00 0.00 ATOM 308 O ASP 45 -4.076 0.962 -11.955 1.00 0.00 ATOM 309 C ASP 45 -4.760 1.968 -11.762 1.00 0.00 ATOM 310 N GLY 46 -6.060 1.919 -11.485 1.00 0.00 ATOM 311 CA GLY 46 -6.766 0.647 -11.471 1.00 0.00 ATOM 312 O GLY 46 -7.133 -1.337 -10.190 1.00 0.00 ATOM 313 C GLY 46 -6.791 -0.150 -10.184 1.00 0.00 ATOM 317 N VAL 48 -6.448 0.477 -9.068 1.00 0.00 ATOM 318 CA VAL 48 -6.486 -0.250 -7.800 1.00 0.00 ATOM 319 CB VAL 48 -5.785 0.539 -6.676 1.00 0.00 ATOM 320 CG1 VAL 48 -6.006 -0.140 -5.332 1.00 0.00 ATOM 321 CG2 VAL 48 -4.288 0.616 -6.934 1.00 0.00 ATOM 322 O VAL 48 -8.812 0.356 -7.680 1.00 0.00 ATOM 323 C VAL 48 -7.949 -0.477 -7.405 1.00 0.00 ATOM 324 N ALA 49 -8.206 -1.601 -6.744 1.00 0.00 ATOM 325 CA ALA 49 -9.546 -1.956 -6.279 1.00 0.00 ATOM 326 CB ALA 49 -10.091 -3.130 -7.077 1.00 0.00 ATOM 327 O ALA 49 -8.626 -2.928 -4.287 1.00 0.00 ATOM 328 C ALA 49 -9.579 -2.357 -4.807 1.00 0.00 ATOM 329 N ALA 50 -10.694 -2.067 -4.133 1.00 0.00 ATOM 330 CA ALA 50 -10.849 -2.483 -2.748 1.00 0.00 ATOM 331 CB ALA 50 -12.183 -2.007 -2.197 1.00 0.00 ATOM 332 O ALA 50 -11.320 -4.667 -3.666 1.00 0.00 ATOM 333 C ALA 50 -10.780 -4.010 -2.755 1.00 0.00 ATOM 334 N GLY 51 -10.118 -4.573 -1.749 1.00 0.00 ATOM 335 CA GLY 51 -9.975 -6.016 -1.673 1.00 0.00 ATOM 336 O GLY 51 -8.292 -7.677 -2.019 1.00 0.00 ATOM 337 C GLY 51 -8.661 -6.522 -2.251 1.00 0.00 ATOM 338 N ASP 52 -7.953 -5.678 -3.002 1.00 0.00 ATOM 339 CA ASP 52 -6.659 -6.073 -3.577 1.00 0.00 ATOM 340 CB ASP 52 -6.068 -4.930 -4.405 1.00 0.00 ATOM 341 CG ASP 52 -6.795 -4.727 -5.719 1.00 0.00 ATOM 342 OD1 ASP 52 -7.626 -5.587 -6.079 1.00 0.00 ATOM 343 OD2 ASP 52 -6.535 -3.706 -6.390 1.00 0.00 ATOM 344 O ASP 52 -5.605 -5.746 -1.439 1.00 0.00 ATOM 345 C ASP 52 -5.673 -6.428 -2.474 1.00 0.00 ATOM 346 N GLU 53 -4.900 -7.488 -2.702 1.00 0.00 ATOM 347 CA GLU 53 -3.866 -7.912 -1.756 1.00 0.00 ATOM 348 CB GLU 53 -3.800 -9.439 -1.682 1.00 0.00 ATOM 349 CG GLU 53 -2.749 -9.970 -0.723 1.00 0.00 ATOM 350 CD GLU 53 -2.694 -11.484 -0.697 1.00 0.00 ATOM 351 OE1 GLU 53 -3.493 -12.119 -1.418 1.00 0.00 ATOM 352 OE2 GLU 53 -1.854 -12.035 0.044 1.00 0.00 ATOM 353 O GLU 53 -2.215 -7.502 -3.445 1.00 0.00 ATOM 354 C GLU 53 -2.546 -7.346 -2.273 1.00 0.00 ATOM 355 N ILE 54 -1.781 -6.692 -1.406 1.00 0.00 ATOM 356 CA ILE 54 -0.499 -6.128 -1.817 1.00 0.00 ATOM 357 CB ILE 54 -0.095 -4.938 -0.928 1.00 0.00 ATOM 358 CG1 ILE 54 -1.132 -3.816 -1.034 1.00 0.00 ATOM 359 CG2 ILE 54 1.257 -4.386 -1.355 1.00 0.00 ATOM 360 CD1 ILE 54 -0.934 -2.705 -0.029 1.00 0.00 ATOM 361 O ILE 54 0.859 -7.714 -0.653 1.00 0.00 ATOM 362 C ILE 54 0.610 -7.166 -1.725 1.00 0.00 ATOM 363 N THR 55 1.277 -7.414 -2.851 1.00 0.00 ATOM 364 CA THR 55 2.382 -8.368 -2.914 1.00 0.00 ATOM 365 CB THR 55 2.330 -9.207 -4.204 1.00 0.00 ATOM 366 CG2 THR 55 3.508 -10.167 -4.263 1.00 0.00 ATOM 367 OG1 THR 55 1.113 -9.962 -4.238 1.00 0.00 ATOM 368 O THR 55 4.631 -8.011 -2.152 1.00 0.00 ATOM 369 C THR 55 3.720 -7.619 -2.883 1.00 0.00 ATOM 370 N GLY 56 3.845 -6.557 -3.679 1.00 0.00 ATOM 371 CA GLY 56 5.079 -5.760 -3.694 1.00 0.00 ATOM 372 O GLY 56 3.775 -3.847 -4.298 1.00 0.00 ATOM 373 C GLY 56 4.794 -4.274 -3.747 1.00 0.00 ATOM 374 N VAL 57 5.711 -3.501 -3.169 1.00 0.00 ATOM 375 CA VAL 57 5.659 -2.040 -3.224 1.00 0.00 ATOM 376 CB VAL 57 5.419 -1.431 -1.830 1.00 0.00 ATOM 377 CG1 VAL 57 5.396 0.086 -1.908 1.00 0.00 ATOM 378 CG2 VAL 57 4.087 -1.903 -1.266 1.00 0.00 ATOM 379 O VAL 57 8.065 -1.934 -3.158 1.00 0.00 ATOM 380 C VAL 57 7.032 -1.644 -3.774 1.00 0.00 ATOM 381 N ASN 58 7.034 -1.002 -4.938 1.00 0.00 ATOM 382 CA ASN 58 8.262 -0.594 -5.620 1.00 0.00 ATOM 383 CB ASN 58 8.929 0.563 -4.874 1.00 0.00 ATOM 384 CG ASN 58 9.974 1.272 -5.715 1.00 0.00 ATOM 385 ND2 ASN 58 10.959 1.866 -5.053 1.00 0.00 ATOM 386 OD1 ASN 58 9.894 1.283 -6.943 1.00 0.00 ATOM 387 O ASN 58 10.462 -1.594 -5.407 1.00 0.00 ATOM 388 C ASN 58 9.267 -1.745 -5.697 1.00 0.00 ATOM 389 N GLY 59 8.751 -2.908 -6.091 1.00 0.00 ATOM 390 CA GLY 59 9.579 -4.085 -6.290 1.00 0.00 ATOM 391 O GLY 59 10.726 -5.891 -5.250 1.00 0.00 ATOM 392 C GLY 59 10.013 -4.887 -5.090 1.00 0.00 ATOM 393 N ARG 60 9.607 -4.459 -3.900 1.00 0.00 ATOM 394 CA ARG 60 9.965 -5.146 -2.661 1.00 0.00 ATOM 395 CB ARG 60 10.385 -4.137 -1.590 1.00 0.00 ATOM 396 CG ARG 60 10.866 -4.769 -0.296 1.00 0.00 ATOM 397 CD ARG 60 11.301 -3.712 0.707 1.00 0.00 ATOM 398 NE ARG 60 11.809 -4.305 1.942 1.00 0.00 ATOM 399 CZ ARG 60 12.087 -3.614 3.043 1.00 0.00 ATOM 400 NH1 ARG 60 12.545 -4.238 4.119 1.00 0.00 ATOM 401 NH2 ARG 60 11.905 -2.300 3.065 1.00 0.00 ATOM 402 O ARG 60 7.662 -5.409 -2.040 1.00 0.00 ATOM 403 C ARG 60 8.769 -5.939 -2.146 1.00 0.00 ATOM 404 N SER 61 8.987 -7.203 -1.803 1.00 0.00 ATOM 405 CA SER 61 7.909 -8.041 -1.308 1.00 0.00 ATOM 406 CB SER 61 8.373 -9.492 -1.177 1.00 0.00 ATOM 407 OG SER 61 7.350 -10.310 -0.637 1.00 0.00 ATOM 408 O SER 61 8.229 -7.365 0.986 1.00 0.00 ATOM 409 C SER 61 7.430 -7.574 0.064 1.00 0.00 ATOM 410 N ILE 62 6.120 -7.385 0.199 1.00 0.00 ATOM 411 CA ILE 62 5.551 -6.914 1.460 1.00 0.00 ATOM 412 CB ILE 62 4.842 -5.559 1.287 1.00 0.00 ATOM 413 CG1 ILE 62 3.704 -5.678 0.270 1.00 0.00 ATOM 414 CG2 ILE 62 5.820 -4.504 0.795 1.00 0.00 ATOM 415 CD1 ILE 62 2.785 -4.476 0.238 1.00 0.00 ATOM 416 O ILE 62 3.755 -7.529 2.936 1.00 0.00 ATOM 417 C ILE 62 4.522 -7.881 2.035 1.00 0.00 ATOM 418 N LYS 63 4.526 -9.109 1.534 1.00 0.00 ATOM 419 CA LYS 63 3.562 -10.108 1.986 1.00 0.00 ATOM 420 CB LYS 63 3.777 -11.432 1.251 1.00 0.00 ATOM 421 CG LYS 63 3.388 -11.395 -0.219 1.00 0.00 ATOM 422 CD LYS 63 3.634 -12.739 -0.888 1.00 0.00 ATOM 423 CE LYS 63 3.250 -12.700 -2.358 1.00 0.00 ATOM 424 NZ LYS 63 3.515 -14.000 -3.035 1.00 0.00 ATOM 425 O LYS 63 2.611 -10.858 4.051 1.00 0.00 ATOM 426 C LYS 63 3.620 -10.441 3.469 1.00 0.00 ATOM 427 N GLY 64 4.780 -10.262 4.083 1.00 0.00 ATOM 428 CA GLY 64 4.918 -10.572 5.496 1.00 0.00 ATOM 429 O GLY 64 5.456 -9.509 7.556 1.00 0.00 ATOM 430 C GLY 64 5.208 -9.366 6.365 1.00 0.00 ATOM 431 N LYS 65 5.172 -8.175 5.778 1.00 0.00 ATOM 432 CA LYS 65 5.453 -6.974 6.548 1.00 0.00 ATOM 433 CB LYS 65 5.930 -5.847 5.630 1.00 0.00 ATOM 434 CG LYS 65 7.293 -6.091 5.003 1.00 0.00 ATOM 435 CD LYS 65 7.691 -4.948 4.085 1.00 0.00 ATOM 436 CE LYS 65 9.065 -5.180 3.478 1.00 0.00 ATOM 437 NZ LYS 65 9.458 -4.081 2.554 1.00 0.00 ATOM 438 O LYS 65 3.101 -6.806 7.004 1.00 0.00 ATOM 439 C LYS 65 4.242 -6.453 7.302 1.00 0.00 ATOM 440 N THR 66 4.514 -5.619 8.301 1.00 0.00 ATOM 441 CA THR 66 3.462 -5.037 9.119 1.00 0.00 ATOM 442 CB THR 66 4.013 -4.515 10.459 1.00 0.00 ATOM 443 CG2 THR 66 4.702 -5.633 11.225 1.00 0.00 ATOM 444 OG1 THR 66 4.962 -3.468 10.213 1.00 0.00 ATOM 445 O THR 66 3.318 -3.301 7.453 1.00 0.00 ATOM 446 C THR 66 2.791 -3.865 8.416 1.00 0.00 ATOM 447 N LYS 67 1.630 -3.490 8.933 1.00 0.00 ATOM 448 CA LYS 67 0.897 -2.353 8.405 1.00 0.00 ATOM 449 CB LYS 67 -0.300 -2.026 9.300 1.00 0.00 ATOM 450 CG LYS 67 -1.151 -0.871 8.800 1.00 0.00 ATOM 451 CD LYS 67 -2.356 -0.641 9.698 1.00 0.00 ATOM 452 CE LYS 67 -3.180 0.545 9.226 1.00 0.00 ATOM 453 NZ LYS 67 -4.376 0.768 10.086 1.00 0.00 ATOM 454 O LYS 67 1.920 -0.454 7.307 1.00 0.00 ATOM 455 C LYS 67 1.820 -1.122 8.342 1.00 0.00 ATOM 456 N VAL 68 2.507 -0.807 9.436 1.00 0.00 ATOM 457 CA VAL 68 3.364 0.373 9.406 1.00 0.00 ATOM 458 CB VAL 68 4.052 0.607 10.765 1.00 0.00 ATOM 459 CG1 VAL 68 5.087 1.715 10.654 1.00 0.00 ATOM 460 CG2 VAL 68 3.029 1.006 11.817 1.00 0.00 ATOM 461 O VAL 68 4.786 1.298 7.728 1.00 0.00 ATOM 462 C VAL 68 4.476 0.301 8.384 1.00 0.00 ATOM 463 N GLU 69 5.074 -0.876 8.241 1.00 0.00 ATOM 464 CA GLU 69 6.165 -1.041 7.290 1.00 0.00 ATOM 465 CB GLU 69 6.736 -2.458 7.372 1.00 0.00 ATOM 466 CG GLU 69 7.518 -2.740 8.644 1.00 0.00 ATOM 467 CD GLU 69 7.964 -4.184 8.747 1.00 0.00 ATOM 468 OE1 GLU 69 7.597 -4.984 7.860 1.00 0.00 ATOM 469 OE2 GLU 69 8.678 -4.519 9.716 1.00 0.00 ATOM 470 O GLU 69 6.336 -0.120 5.090 1.00 0.00 ATOM 471 C GLU 69 5.677 -0.804 5.869 1.00 0.00 ATOM 472 N VAL 70 4.505 -1.336 5.539 1.00 0.00 ATOM 473 CA VAL 70 3.991 -1.163 4.185 1.00 0.00 ATOM 474 CB VAL 70 2.746 -2.035 3.939 1.00 0.00 ATOM 475 CG1 VAL 70 2.117 -1.699 2.595 1.00 0.00 ATOM 476 CG2 VAL 70 3.120 -3.509 3.939 1.00 0.00 ATOM 477 O VAL 70 3.922 0.863 2.918 1.00 0.00 ATOM 478 C VAL 70 3.601 0.293 3.955 1.00 0.00 ATOM 479 N ALA 71 2.918 0.888 4.925 1.00 0.00 ATOM 480 CA ALA 71 2.509 2.282 4.821 1.00 0.00 ATOM 481 CB ALA 71 1.787 2.719 6.086 1.00 0.00 ATOM 482 O ALA 71 3.706 4.094 3.791 1.00 0.00 ATOM 483 C ALA 71 3.724 3.191 4.623 1.00 0.00 ATOM 484 N LYS 72 4.794 2.951 5.373 1.00 0.00 ATOM 485 CA LYS 72 5.982 3.779 5.225 1.00 0.00 ATOM 486 CB LYS 72 7.038 3.391 6.261 1.00 0.00 ATOM 487 CG LYS 72 6.677 3.772 7.688 1.00 0.00 ATOM 488 CD LYS 72 7.764 3.352 8.664 1.00 0.00 ATOM 489 CE LYS 72 7.402 3.730 10.091 1.00 0.00 ATOM 490 NZ LYS 72 8.442 3.295 11.063 1.00 0.00 ATOM 491 O LYS 72 7.197 4.625 3.354 1.00 0.00 ATOM 492 C LYS 72 6.632 3.652 3.857 1.00 0.00 ATOM 493 N MET 73 6.578 2.465 3.250 1.00 0.00 ATOM 494 CA MET 73 7.168 2.309 1.922 1.00 0.00 ATOM 495 CB MET 73 7.095 0.849 1.471 1.00 0.00 ATOM 496 CG MET 73 7.989 -0.090 2.263 1.00 0.00 ATOM 497 SD MET 73 9.734 0.343 2.143 1.00 0.00 ATOM 498 CE MET 73 10.063 -0.037 0.425 1.00 0.00 ATOM 499 O MET 73 6.997 3.684 -0.036 1.00 0.00 ATOM 500 C MET 73 6.412 3.174 0.919 1.00 0.00 ATOM 501 N ILE 74 5.106 3.327 1.132 1.00 0.00 ATOM 502 CA ILE 74 4.269 4.118 0.242 1.00 0.00 ATOM 503 CB ILE 74 2.780 3.755 0.395 1.00 0.00 ATOM 504 CG1 ILE 74 2.530 2.322 -0.079 1.00 0.00 ATOM 505 CG2 ILE 74 1.914 4.694 -0.430 1.00 0.00 ATOM 506 CD1 ILE 74 1.152 1.798 0.260 1.00 0.00 ATOM 507 O ILE 74 4.580 6.425 -0.389 1.00 0.00 ATOM 508 C ILE 74 4.404 5.614 0.528 1.00 0.00 ATOM 509 N GLN 75 4.375 5.980 1.803 1.00 0.00 ATOM 510 CA GLN 75 4.473 7.390 2.159 1.00 0.00 ATOM 511 CB GLN 75 4.360 7.571 3.673 1.00 0.00 ATOM 512 CG GLN 75 2.971 7.302 4.230 1.00 0.00 ATOM 513 CD GLN 75 2.915 7.414 5.740 1.00 0.00 ATOM 514 OE1 GLN 75 3.932 7.657 6.391 1.00 0.00 ATOM 515 NE2 GLN 75 1.726 7.239 6.302 1.00 0.00 ATOM 516 O GLN 75 5.855 9.180 1.330 1.00 0.00 ATOM 517 C GLN 75 5.799 8.006 1.718 1.00 0.00 ATOM 518 N GLU 76 6.866 7.210 1.770 1.00 0.00 ATOM 519 CA GLU 76 8.184 7.688 1.362 1.00 0.00 ATOM 520 CB GLU 76 9.281 6.787 1.934 1.00 0.00 ATOM 521 CG GLU 76 9.412 6.852 3.447 1.00 0.00 ATOM 522 CD GLU 76 10.418 5.857 3.989 1.00 0.00 ATOM 523 OE1 GLU 76 10.988 5.090 3.184 1.00 0.00 ATOM 524 OE2 GLU 76 10.639 5.844 5.217 1.00 0.00 ATOM 525 O GLU 76 9.446 8.154 -0.608 1.00 0.00 ATOM 526 C GLU 76 8.397 7.725 -0.152 1.00 0.00 ATOM 527 N VAL 77 7.417 7.258 -0.925 1.00 0.00 ATOM 528 CA VAL 77 7.497 7.307 -2.393 1.00 0.00 ATOM 529 CB VAL 77 6.755 6.122 -3.038 1.00 0.00 ATOM 530 CG1 VAL 77 6.811 6.221 -4.554 1.00 0.00 ATOM 531 CG2 VAL 77 7.388 4.804 -2.618 1.00 0.00 ATOM 532 O VAL 77 5.604 8.744 -2.785 1.00 0.00 ATOM 533 C VAL 77 6.826 8.651 -2.695 1.00 0.00 ATOM 534 N LYS 78 7.632 9.694 -2.861 1.00 0.00 ATOM 535 CA LYS 78 7.096 11.034 -3.026 1.00 0.00 ATOM 536 CB LYS 78 8.190 12.080 -2.806 1.00 0.00 ATOM 537 CG LYS 78 8.708 12.147 -1.379 1.00 0.00 ATOM 538 CD LYS 78 9.799 13.195 -1.236 1.00 0.00 ATOM 539 CE LYS 78 10.300 13.281 0.197 1.00 0.00 ATOM 540 NZ LYS 78 11.354 14.318 0.356 1.00 0.00 ATOM 541 O LYS 78 5.741 12.386 -4.424 1.00 0.00 ATOM 542 C LYS 78 6.489 11.409 -4.354 1.00 0.00 ATOM 543 N GLY 79 6.788 10.648 -5.395 1.00 0.00 ATOM 544 CA GLY 79 6.285 10.979 -6.724 1.00 0.00 ATOM 545 O GLY 79 4.458 10.243 -8.058 1.00 0.00 ATOM 546 C GLY 79 5.445 9.920 -7.394 1.00 0.00 ATOM 547 N GLU 80 5.855 8.665 -7.251 1.00 0.00 ATOM 548 CA GLU 80 5.152 7.550 -7.860 1.00 0.00 ATOM 549 CB GLU 80 5.640 7.327 -9.293 1.00 0.00 ATOM 550 CG GLU 80 7.104 6.934 -9.397 1.00 0.00 ATOM 551 CD GLU 80 7.578 6.823 -10.832 1.00 0.00 ATOM 552 OE1 GLU 80 6.755 7.037 -11.747 1.00 0.00 ATOM 553 OE2 GLU 80 8.772 6.521 -11.042 1.00 0.00 ATOM 554 O GLU 80 6.415 6.110 -6.413 1.00 0.00 ATOM 555 C GLU 80 5.386 6.276 -7.076 1.00 0.00 ATOM 556 N VAL 81 4.416 5.374 -7.126 1.00 0.00 ATOM 557 CA VAL 81 4.583 4.106 -6.443 1.00 0.00 ATOM 558 CB VAL 81 3.860 4.098 -5.083 1.00 0.00 ATOM 559 CG1 VAL 81 2.365 4.302 -5.274 1.00 0.00 ATOM 560 CG2 VAL 81 4.079 2.771 -4.371 1.00 0.00 ATOM 561 O VAL 81 2.940 3.145 -7.909 1.00 0.00 ATOM 562 C VAL 81 4.008 2.993 -7.302 1.00 0.00 ATOM 563 N THR 82 4.752 1.895 -7.388 1.00 0.00 ATOM 564 CA THR 82 4.354 0.726 -8.170 1.00 0.00 ATOM 565 CB THR 82 5.536 0.161 -8.981 1.00 0.00 ATOM 566 CG2 THR 82 5.102 -1.062 -9.771 1.00 0.00 ATOM 567 OG1 THR 82 6.012 1.158 -9.892 1.00 0.00 ATOM 568 O THR 82 4.599 -0.775 -6.319 1.00 0.00 ATOM 569 C THR 82 3.859 -0.329 -7.198 1.00 0.00 ATOM 570 N ILE 83 2.605 -0.732 -7.350 1.00 0.00 ATOM 571 CA ILE 83 2.024 -1.731 -6.468 1.00 0.00 ATOM 572 CB ILE 83 0.731 -1.217 -5.808 1.00 0.00 ATOM 573 CG1 ILE 83 1.017 0.030 -4.972 1.00 0.00 ATOM 574 CG2 ILE 83 0.138 -2.282 -4.897 1.00 0.00 ATOM 575 CD1 ILE 83 -0.227 0.715 -4.450 1.00 0.00 ATOM 576 O ILE 83 0.901 -2.953 -8.188 1.00 0.00 ATOM 577 C ILE 83 1.679 -2.997 -7.235 1.00 0.00 ATOM 578 N HIS 84 2.277 -4.113 -6.844 1.00 0.00 ATOM 579 CA HIS 84 1.946 -5.391 -7.482 1.00 0.00 ATOM 580 CB HIS 84 3.179 -6.294 -7.546 1.00 0.00 ATOM 581 CG HIS 84 4.303 -5.724 -8.354 1.00 0.00 ATOM 582 CD2 HIS 84 5.582 -5.095 -8.055 1.00 0.00 ATOM 583 ND1 HIS 84 4.297 -5.708 -9.731 1.00 0.00 ATOM 584 CE1 HIS 84 5.435 -5.137 -10.169 1.00 0.00 ATOM 585 NE2 HIS 84 6.209 -4.767 -9.168 1.00 0.00 ATOM 586 O HIS 84 1.091 -6.164 -5.384 1.00 0.00 ATOM 587 C HIS 84 0.864 -5.966 -6.578 1.00 0.00 ATOM 588 N TYR 85 -0.321 -6.216 -7.138 1.00 0.00 ATOM 589 CA TYR 85 -1.444 -6.694 -6.354 1.00 0.00 ATOM 590 CB TYR 85 -2.528 -5.618 -6.258 1.00 0.00 ATOM 591 CG TYR 85 -3.177 -5.284 -7.580 1.00 0.00 ATOM 592 CD1 TYR 85 -4.340 -5.926 -7.986 1.00 0.00 ATOM 593 CD2 TYR 85 -2.626 -4.325 -8.422 1.00 0.00 ATOM 594 CE1 TYR 85 -4.941 -5.627 -9.194 1.00 0.00 ATOM 595 CE2 TYR 85 -3.213 -4.011 -9.633 1.00 0.00 ATOM 596 CZ TYR 85 -4.379 -4.672 -10.015 1.00 0.00 ATOM 597 OH TYR 85 -4.976 -4.371 -11.218 1.00 0.00 ATOM 598 O TYR 85 -1.909 -8.258 -8.105 1.00 0.00 ATOM 599 C TYR 85 -2.103 -7.929 -6.932 1.00 0.00 ATOM 600 N ASN 86 -2.876 -8.604 -6.092 1.00 0.00 ATOM 601 CA ASN 86 -3.662 -9.741 -6.542 1.00 0.00 ATOM 602 CB ASN 86 -3.274 -11.000 -5.765 1.00 0.00 ATOM 603 CG ASN 86 -4.000 -12.236 -6.258 1.00 0.00 ATOM 604 ND2 ASN 86 -3.430 -13.405 -5.985 1.00 0.00 ATOM 605 OD1 ASN 86 -5.059 -12.139 -6.876 1.00 0.00 ATOM 606 O ASN 86 -5.438 -8.961 -5.116 1.00 0.00 ATOM 607 C ASN 86 -5.090 -9.305 -6.253 1.00 0.00 ATOM 608 N LYS 87 -5.903 -9.288 -7.304 1.00 0.00 ATOM 609 CA LYS 87 -7.287 -8.856 -7.188 1.00 0.00 ATOM 610 CB LYS 87 -7.917 -8.698 -8.574 1.00 0.00 ATOM 611 CG LYS 87 -7.329 -7.563 -9.398 1.00 0.00 ATOM 612 CD LYS 87 -8.021 -7.441 -10.745 1.00 0.00 ATOM 613 CE LYS 87 -7.435 -6.306 -11.566 1.00 0.00 ATOM 614 NZ LYS 87 -8.111 -6.169 -12.886 1.00 0.00 ATOM 615 O LYS 87 -7.855 -11.033 -6.381 1.00 0.00 ATOM 616 C LYS 87 -8.133 -9.835 -6.419 1.00 0.00 ATOM 617 N LEU 88 -9.182 -9.324 -5.764 1.00 0.00 ATOM 618 CA LEU 88 -10.073 -10.176 -4.988 1.00 0.00 ATOM 619 CB LEU 88 -11.079 -9.328 -4.208 1.00 0.00 ATOM 620 CG LEU 88 -11.998 -10.083 -3.245 1.00 0.00 ATOM 621 CD1 LEU 88 -11.195 -10.699 -2.108 1.00 0.00 ATOM 622 CD2 LEU 88 -13.033 -9.145 -2.642 1.00 0.00 ATOM 623 O LEU 88 -11.200 -10.776 -7.020 1.00 0.00 ATOM 624 C LEU 88 -10.848 -11.118 -5.892 1.00 0.00 ATOM 625 N GLN 89 -11.081 -12.313 -5.386 1.00 0.00 ATOM 626 CA GLN 89 -11.857 -13.300 -6.115 1.00 0.00 ATOM 627 CB GLN 89 -10.943 -14.387 -6.684 1.00 0.00 ATOM 628 CG GLN 89 -9.920 -13.875 -7.686 1.00 0.00 ATOM 629 CD GLN 89 -9.046 -14.981 -8.243 1.00 0.00 ATOM 630 OE1 GLN 89 -9.069 -16.110 -7.753 1.00 0.00 ATOM 631 NE2 GLN 89 -8.272 -14.661 -9.274 1.00 0.00 ATOM 632 O GLN 89 -12.597 -13.744 -3.881 1.00 0.00 ATOM 633 C GLN 89 -12.817 -13.870 -5.091 1.00 0.00 ATOM 634 N TYR 90 -13.892 -14.478 -5.567 1.00 0.00 ATOM 635 CA TYR 90 -14.887 -15.069 -4.680 1.00 0.00 ATOM 636 CB TYR 90 -15.575 -13.985 -3.849 1.00 0.00 ATOM 637 CG TYR 90 -16.244 -12.911 -4.678 1.00 0.00 ATOM 638 CD1 TYR 90 -17.560 -13.053 -5.097 1.00 0.00 ATOM 639 CD2 TYR 90 -15.556 -11.757 -5.037 1.00 0.00 ATOM 640 CE1 TYR 90 -18.179 -12.077 -5.855 1.00 0.00 ATOM 641 CE2 TYR 90 -16.159 -10.772 -5.792 1.00 0.00 ATOM 642 CZ TYR 90 -17.481 -10.939 -6.202 1.00 0.00 ATOM 643 OH TYR 90 -18.095 -9.967 -6.955 1.00 0.00 ATOM 644 O TYR 90 -16.124 -15.482 -6.678 1.00 0.00 ATOM 645 C TYR 90 -15.932 -15.796 -5.508 1.00 0.00 ATOM 646 N TYR 91 -16.587 -16.791 -4.923 1.00 0.00 ATOM 647 CA TYR 91 -17.649 -17.474 -5.658 1.00 0.00 ATOM 648 CB TYR 91 -17.464 -18.990 -5.578 1.00 0.00 ATOM 649 CG TYR 91 -16.183 -19.485 -6.212 1.00 0.00 ATOM 650 CD1 TYR 91 -15.106 -19.872 -5.426 1.00 0.00 ATOM 651 CD2 TYR 91 -16.057 -19.565 -7.593 1.00 0.00 ATOM 652 CE1 TYR 91 -13.931 -20.327 -5.996 1.00 0.00 ATOM 653 CE2 TYR 91 -14.890 -20.016 -8.179 1.00 0.00 ATOM 654 CZ TYR 91 -13.824 -20.399 -7.367 1.00 0.00 ATOM 655 OH TYR 91 -12.656 -20.849 -7.936 1.00 0.00 ATOM 656 O TYR 91 -20.033 -17.619 -5.377 1.00 0.00 ATOM 657 C TYR 91 -18.980 -17.086 -5.031 1.00 0.00 ATOM 658 N LYS 92 -18.919 -16.119 -4.122 1.00 0.00 ATOM 659 CA LYS 92 -20.098 -15.632 -3.428 1.00 0.00 ATOM 660 CB LYS 92 -19.740 -15.193 -2.005 1.00 0.00 ATOM 661 CG LYS 92 -20.931 -14.745 -1.177 1.00 0.00 ATOM 662 CD LYS 92 -20.506 -14.332 0.223 1.00 0.00 ATOM 663 CE LYS 92 -21.706 -13.962 1.079 1.00 0.00 ATOM 664 NZ LYS 92 -21.302 -13.529 2.445 1.00 0.00 ATOM 665 O LYS 92 -20.118 -13.348 -4.180 1.00 0.00 ATOM 666 C LYS 92 -20.703 -14.431 -4.164 1.00 0.00 ATOM 667 N VAL 93 -21.863 -14.637 -4.781 1.00 0.00 ATOM 668 CA VAL 93 -22.560 -13.572 -5.504 1.00 0.00 ATOM 669 CB VAL 93 -23.003 -14.038 -6.904 1.00 0.00 ATOM 670 CG1 VAL 93 -21.792 -14.321 -7.779 1.00 0.00 ATOM 671 CG2 VAL 93 -23.833 -15.309 -6.805 1.00 0.00 ATOM 672 O VAL 93 -24.723 -13.956 -4.502 1.00 0.00 ATOM 673 C VAL 93 -23.810 -13.154 -4.706 1.00 0.00 TER END