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 REMARK 6 REMARK 6 T0288 model 1 Mon May 22 11:45:12 2006 MODEL 1 PARENT 2fne_A 1xz9_A 1t2m_A 1wfv_A 1x6d_A 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 1 N SER 1 -7.015 -8.111 -10.042 1.00 0.00 ATOM 2 CA SER 1 -7.290 -9.300 -10.907 1.00 0.00 ATOM 3 CB SER 1 -6.448 -9.210 -12.178 1.00 0.00 ATOM 4 OG SER 1 -5.078 -9.371 -11.836 1.00 0.00 ATOM 5 O SER 1 -6.158 -10.554 -9.209 1.00 0.00 ATOM 6 C SER 1 -6.912 -10.587 -10.175 1.00 0.00 ATOM 7 N MET 2 -7.354 -11.720 -10.719 1.00 0.00 ATOM 8 CA MET 2 -7.047 -13.013 -10.114 1.00 0.00 ATOM 9 CB MET 2 -7.722 -14.164 -10.877 1.00 0.00 ATOM 10 CG MET 2 -7.663 -15.519 -10.150 1.00 0.00 ATOM 11 SD MET 2 -8.306 -15.469 -8.459 1.00 0.00 ATOM 12 CE MET 2 -9.720 -14.385 -8.745 1.00 0.00 ATOM 13 O MET 2 -5.195 -14.384 -9.467 1.00 0.00 ATOM 14 C MET 2 -5.573 -13.396 -10.096 1.00 0.00 ATOM 15 N VAL 3 -4.768 -12.716 -10.926 1.00 0.00 ATOM 16 CA VAL 3 -3.354 -12.937 -11.012 1.00 0.00 ATOM 17 CB VAL 3 -2.813 -13.195 -12.429 1.00 0.00 ATOM 18 CG1 VAL 3 -3.403 -14.476 -13.001 1.00 0.00 ATOM 19 CG2 VAL 3 -3.175 -12.045 -13.356 1.00 0.00 ATOM 20 O VAL 3 -3.242 -10.651 -10.406 1.00 0.00 ATOM 21 C VAL 3 -2.586 -11.672 -10.570 1.00 0.00 ATOM 22 N PRO 4 -1.327 -11.839 -10.293 1.00 0.00 ATOM 23 CA PRO 4 -0.524 -10.692 -9.867 1.00 0.00 ATOM 24 CB PRO 4 0.886 -11.280 -9.772 1.00 0.00 ATOM 25 CG PRO 4 0.639 -12.680 -9.365 1.00 0.00 ATOM 26 CD PRO 4 -0.517 -13.071 -10.256 1.00 0.00 ATOM 27 O PRO 4 -0.191 -9.878 -12.101 1.00 0.00 ATOM 28 C PRO 4 -0.522 -9.610 -10.939 1.00 0.00 ATOM 29 N GLY 5 -0.867 -8.387 -10.545 1.00 0.00 ATOM 30 CA GLY 5 -0.916 -7.270 -11.480 1.00 0.00 ATOM 31 O GLY 5 0.109 -5.755 -9.925 1.00 0.00 ATOM 32 C GLY 5 0.001 -6.111 -11.102 1.00 0.00 ATOM 33 N LYS 6 0.501 -5.412 -12.112 1.00 0.00 ATOM 34 CA LYS 6 1.376 -4.270 -11.885 1.00 0.00 ATOM 35 CB LYS 6 2.624 -4.412 -12.758 1.00 0.00 ATOM 36 CG LYS 6 3.670 -3.335 -12.525 1.00 0.00 ATOM 37 CD LYS 6 4.882 -3.541 -13.418 1.00 0.00 ATOM 38 CE LYS 6 5.943 -2.478 -13.165 1.00 0.00 ATOM 39 NZ LYS 6 7.192 -2.749 -13.927 1.00 0.00 ATOM 40 O LYS 6 0.227 -2.814 -13.394 1.00 0.00 ATOM 41 C LYS 6 0.671 -2.975 -12.259 1.00 0.00 ATOM 42 N VAL 7 0.610 -2.039 -11.319 1.00 0.00 ATOM 43 CA VAL 7 -0.055 -0.762 -11.553 1.00 0.00 ATOM 44 CB VAL 7 -1.503 -0.723 -10.921 1.00 0.00 ATOM 45 CG1 VAL 7 -2.430 -1.683 -11.638 1.00 0.00 ATOM 46 CG2 VAL 7 -1.414 -1.049 -9.417 1.00 0.00 ATOM 47 O VAL 7 1.394 0.392 -10.038 1.00 0.00 ATOM 48 C VAL 7 0.828 0.401 -11.131 1.00 0.00 ATOM 49 N THR 8 0.939 1.405 -11.991 1.00 0.00 ATOM 50 CA THR 8 1.740 2.574 -11.667 1.00 0.00 ATOM 51 CB THR 8 2.573 3.055 -12.869 1.00 0.00 ATOM 52 CG2 THR 8 3.372 4.296 -12.501 1.00 0.00 ATOM 53 OG1 THR 8 3.481 2.020 -13.268 1.00 0.00 ATOM 54 O THR 8 -0.103 4.091 -11.947 1.00 0.00 ATOM 55 C THR 8 0.809 3.695 -11.218 1.00 0.00 ATOM 56 N LEU 9 1.036 4.199 -10.005 1.00 0.00 ATOM 57 CA LEU 9 0.222 5.287 -9.485 1.00 0.00 ATOM 58 CB LEU 9 -0.263 4.929 -8.097 1.00 0.00 ATOM 59 CG LEU 9 -0.992 5.990 -7.292 1.00 0.00 ATOM 60 CD1 LEU 9 -2.273 6.471 -7.963 1.00 0.00 ATOM 61 CD2 LEU 9 -1.293 5.463 -5.897 1.00 0.00 ATOM 62 O LEU 9 2.135 6.565 -8.807 1.00 0.00 ATOM 63 C LEU 9 1.067 6.554 -9.451 1.00 0.00 ATOM 64 N GLN 10 0.578 7.625 -10.074 1.00 0.00 ATOM 65 CA GLN 10 1.302 8.872 -10.095 1.00 0.00 ATOM 66 CB GLN 10 1.408 9.399 -11.527 1.00 0.00 ATOM 67 CG GLN 10 2.193 10.694 -11.654 1.00 0.00 ATOM 68 CD GLN 10 2.277 11.187 -13.086 1.00 0.00 ATOM 69 OE1 GLN 10 1.659 10.620 -13.985 1.00 0.00 ATOM 70 NE2 GLN 10 3.046 12.249 -13.302 1.00 0.00 ATOM 71 O GLN 10 -0.639 10.111 -9.438 1.00 0.00 ATOM 72 C GLN 10 0.533 9.825 -9.197 1.00 0.00 ATOM 73 N LYS 11 1.201 10.314 -8.162 1.00 0.00 ATOM 74 CA LYS 11 0.551 11.192 -7.204 1.00 0.00 ATOM 75 CB LYS 11 0.337 10.524 -5.844 1.00 0.00 ATOM 76 CG LYS 11 1.611 9.998 -5.204 1.00 0.00 ATOM 77 CD LYS 11 1.331 9.383 -3.842 1.00 0.00 ATOM 78 CE LYS 11 2.609 8.877 -3.193 1.00 0.00 ATOM 79 NZ LYS 11 2.348 8.252 -1.867 1.00 0.00 ATOM 80 O LYS 11 2.565 12.459 -6.877 1.00 0.00 ATOM 81 C LYS 11 1.334 12.458 -6.885 1.00 0.00 ATOM 82 N ASP 12 0.593 13.501 -6.523 1.00 0.00 ATOM 83 CA ASP 12 1.161 14.787 -6.138 1.00 0.00 ATOM 84 CB ASP 12 0.441 15.915 -6.878 1.00 0.00 ATOM 85 CG ASP 12 0.624 15.836 -8.381 1.00 0.00 ATOM 86 OD1 ASP 12 1.777 15.673 -8.831 1.00 0.00 ATOM 87 OD2 ASP 12 -0.387 15.937 -9.109 1.00 0.00 ATOM 88 O ASP 12 0.189 14.174 -4.034 1.00 0.00 ATOM 89 C ASP 12 0.959 14.929 -4.628 1.00 0.00 ATOM 90 N ALA 13 1.622 15.905 -4.009 1.00 0.00 ATOM 91 CA ALA 13 1.485 16.114 -2.566 1.00 0.00 ATOM 92 CB ALA 13 2.351 17.282 -2.115 1.00 0.00 ATOM 93 O ALA 13 -0.318 16.159 -1.013 1.00 0.00 ATOM 94 C ALA 13 0.090 16.517 -2.109 1.00 0.00 ATOM 95 N GLN 14 -0.620 17.269 -2.943 1.00 0.00 ATOM 96 CA GLN 14 -1.968 17.720 -2.572 1.00 0.00 ATOM 97 CB GLN 14 -2.440 18.648 -3.747 1.00 0.00 ATOM 98 CG GLN 14 -1.520 19.869 -3.918 1.00 0.00 ATOM 99 CD GLN 14 -1.432 20.624 -2.606 1.00 0.00 ATOM 100 OE1 GLN 14 -2.428 21.157 -2.091 1.00 0.00 ATOM 101 NE2 GLN 14 -0.250 20.615 -1.999 1.00 0.00 ATOM 102 O GLN 14 -3.994 16.714 -1.771 1.00 0.00 ATOM 103 C GLN 14 -2.975 16.575 -2.452 1.00 0.00 ATOM 104 N ASN 15 -2.664 15.421 -3.034 1.00 0.00 ATOM 105 CA ASN 15 -3.606 14.317 -2.971 1.00 0.00 ATOM 106 CB ASN 15 -4.011 13.920 -4.392 1.00 0.00 ATOM 107 CG ASN 15 -4.702 15.044 -5.136 1.00 0.00 ATOM 108 ND2 ASN 15 -4.048 15.557 -6.171 1.00 0.00 ATOM 109 OD1 ASN 15 -5.813 15.445 -4.783 1.00 0.00 ATOM 110 O ASN 15 -4.048 12.276 -1.825 1.00 0.00 ATOM 111 C ASN 15 -3.198 12.992 -2.353 1.00 0.00 ATOM 112 N LEU 16 -1.834 12.597 -2.409 1.00 0.00 ATOM 113 CA LEU 16 -1.395 11.318 -1.878 1.00 0.00 ATOM 114 CB LEU 16 -1.875 11.169 -0.433 1.00 0.00 ATOM 115 CG LEU 16 -1.385 12.229 0.556 1.00 0.00 ATOM 116 CD1 LEU 16 -2.005 12.011 1.928 1.00 0.00 ATOM 117 CD2 LEU 16 0.128 12.168 0.704 1.00 0.00 ATOM 118 O LEU 16 -2.607 10.377 -3.717 1.00 0.00 ATOM 119 C LEU 16 -1.960 10.162 -2.687 1.00 0.00 ATOM 120 N ILE 17 -1.720 8.940 -2.222 1.00 0.00 ATOM 121 CA ILE 17 -2.187 7.736 -2.904 1.00 0.00 ATOM 122 CB ILE 17 -1.743 6.460 -2.166 1.00 0.00 ATOM 123 CG1 ILE 17 -0.222 6.301 -2.241 1.00 0.00 ATOM 124 CG2 ILE 17 -2.386 5.232 -2.789 1.00 0.00 ATOM 125 CD1 ILE 17 0.327 5.230 -1.326 1.00 0.00 ATOM 126 O ILE 17 -4.220 7.255 -4.079 1.00 0.00 ATOM 127 C ILE 17 -3.703 7.689 -3.050 1.00 0.00 ATOM 128 N GLY 18 -4.412 8.109 -2.008 1.00 0.00 ATOM 129 CA GLY 18 -5.865 8.103 -2.061 1.00 0.00 ATOM 130 O GLY 18 -7.468 6.350 -2.359 1.00 0.00 ATOM 131 C GLY 18 -6.465 6.744 -1.755 1.00 0.00 ATOM 132 N ILE 19 -5.894 6.000 -0.729 1.00 0.00 ATOM 133 CA ILE 19 -6.387 4.687 -0.324 1.00 0.00 ATOM 134 CB ILE 19 -5.673 3.549 -1.069 1.00 0.00 ATOM 135 CG1 ILE 19 -4.131 3.498 -0.792 1.00 0.00 ATOM 136 CG2 ILE 19 -5.913 3.552 -2.619 1.00 0.00 ATOM 137 CD1 ILE 19 -3.493 2.265 -1.552 1.00 0.00 ATOM 138 O ILE 19 -5.333 4.982 1.814 1.00 0.00 ATOM 139 C ILE 19 -6.207 4.407 1.166 1.00 0.00 ATOM 140 N SER 20 -7.015 3.496 1.680 1.00 0.00 ATOM 141 CA SER 20 -6.953 3.119 3.091 1.00 0.00 ATOM 142 CB SER 20 -8.320 3.304 3.753 1.00 0.00 ATOM 143 OG SER 20 -8.713 4.665 3.738 1.00 0.00 ATOM 144 O SER 20 -7.237 0.883 2.314 1.00 0.00 ATOM 145 C SER 20 -6.635 1.636 3.071 1.00 0.00 ATOM 146 N ILE 21 -5.790 1.163 4.014 1.00 0.00 ATOM 147 CA ILE 21 -5.372 -0.226 4.038 1.00 0.00 ATOM 148 CB ILE 21 -3.874 -0.381 3.716 1.00 0.00 ATOM 149 CG1 ILE 21 -3.026 0.374 4.743 1.00 0.00 ATOM 150 CG2 ILE 21 -3.566 0.175 2.335 1.00 0.00 ATOM 151 CD1 ILE 21 -1.541 0.121 4.612 1.00 0.00 ATOM 152 O ILE 21 -5.759 -0.191 6.377 1.00 0.00 ATOM 153 C ILE 21 -5.738 -0.858 5.355 1.00 0.00 ATOM 154 N GLY 22 -5.892 -2.187 5.390 1.00 0.00 ATOM 155 CA GLY 22 -6.012 -2.974 6.602 1.00 0.00 ATOM 156 O GLY 22 -4.472 -4.393 5.444 1.00 0.00 ATOM 157 C GLY 22 -5.112 -4.189 6.481 1.00 0.00 ATOM 158 N GLY 23 -4.947 -4.976 7.494 1.00 0.00 ATOM 159 CA GLY 23 -4.123 -6.169 7.454 1.00 0.00 ATOM 160 O GLY 23 -2.262 -5.015 8.445 1.00 0.00 ATOM 161 C GLY 23 -2.697 -6.067 7.976 1.00 0.00 ATOM 162 N GLY 24 -1.956 -7.167 7.848 1.00 0.00 ATOM 163 CA GLY 24 -0.581 -7.221 8.321 1.00 0.00 ATOM 164 O GLY 24 -1.213 -9.251 9.412 1.00 0.00 ATOM 165 C GLY 24 -0.313 -8.621 8.845 1.00 0.00 ATOM 166 N ALA 25 0.944 -9.207 8.713 1.00 0.00 ATOM 167 CA ALA 25 1.274 -10.544 9.205 1.00 0.00 ATOM 168 CB ALA 25 2.719 -10.887 8.877 1.00 0.00 ATOM 169 O ALA 25 0.929 -11.884 11.159 1.00 0.00 ATOM 170 C ALA 25 1.104 -10.751 10.707 1.00 0.00 ATOM 171 N GLN 26 1.184 -9.672 11.485 1.00 0.00 ATOM 172 CA GLN 26 1.040 -9.802 12.934 1.00 0.00 ATOM 173 CB GLN 26 1.464 -8.555 13.697 1.00 0.00 ATOM 174 CG GLN 26 2.920 -8.132 13.452 1.00 0.00 ATOM 175 CD GLN 26 3.885 -9.281 13.705 1.00 0.00 ATOM 176 OE1 GLN 26 4.029 -9.847 14.784 1.00 0.00 ATOM 177 NE2 GLN 26 4.557 -9.709 12.604 1.00 0.00 ATOM 178 O GLN 26 -0.572 -10.784 14.414 1.00 0.00 ATOM 179 C GLN 26 -0.343 -10.315 13.302 1.00 0.00 ATOM 180 N TYR 27 -1.266 -10.219 12.353 1.00 0.00 ATOM 181 CA TYR 27 -2.624 -10.701 12.549 1.00 0.00 ATOM 182 CB TYR 27 -3.628 -9.553 12.427 1.00 0.00 ATOM 183 CG TYR 27 -3.442 -8.465 13.461 1.00 0.00 ATOM 184 CD1 TYR 27 -2.794 -7.280 13.137 1.00 0.00 ATOM 185 CD2 TYR 27 -3.916 -8.627 14.757 1.00 0.00 ATOM 186 CE1 TYR 27 -2.617 -6.279 14.076 1.00 0.00 ATOM 187 CE2 TYR 27 -3.749 -7.637 15.708 1.00 0.00 ATOM 188 CZ TYR 27 -3.093 -6.458 15.358 1.00 0.00 ATOM 189 OH TYR 27 -2.921 -5.464 16.293 1.00 0.00 ATOM 190 O TYR 27 -4.058 -12.079 11.189 1.00 0.00 ATOM 191 C TYR 27 -2.907 -11.748 11.471 1.00 0.00 ATOM 192 N CYS 28 -1.720 -12.281 10.982 1.00 0.00 ATOM 193 CA CYS 28 -1.748 -13.285 9.916 1.00 0.00 ATOM 194 CB CYS 28 -2.500 -14.520 10.435 1.00 0.00 ATOM 195 SG CYS 28 -1.634 -15.360 11.819 1.00 0.00 ATOM 196 O CYS 28 -2.375 -13.726 7.641 1.00 0.00 ATOM 197 C CYS 28 -2.301 -12.896 8.548 1.00 0.00 ATOM 198 N PRO 29 -2.669 -11.629 8.395 1.00 0.00 ATOM 199 CA PRO 29 -3.209 -11.144 7.134 1.00 0.00 ATOM 200 CB PRO 29 -4.387 -10.237 7.584 1.00 0.00 ATOM 201 CG PRO 29 -3.758 -9.550 8.753 1.00 0.00 ATOM 202 CD PRO 29 -3.049 -10.685 9.472 1.00 0.00 ATOM 203 O PRO 29 -1.267 -9.858 6.709 1.00 0.00 ATOM 204 C PRO 29 -2.250 -10.437 6.205 1.00 0.00 ATOM 205 N CYS 30 -2.655 -10.368 4.897 1.00 0.00 ATOM 206 CA CYS 30 -1.819 -9.663 3.923 1.00 0.00 ATOM 207 CB CYS 30 -1.994 -10.203 2.503 1.00 0.00 ATOM 208 SG CYS 30 -1.456 -11.916 2.284 1.00 0.00 ATOM 209 O CYS 30 -3.341 -7.936 4.585 1.00 0.00 ATOM 210 C CYS 30 -2.302 -8.217 3.986 1.00 0.00 ATOM 211 N LEU 31 -1.552 -7.303 3.380 1.00 0.00 ATOM 212 CA LEU 31 -1.946 -5.894 3.369 1.00 0.00 ATOM 213 CB LEU 31 -0.758 -5.035 2.976 1.00 0.00 ATOM 214 CG LEU 31 -1.038 -3.535 2.851 1.00 0.00 ATOM 215 CD1 LEU 31 -1.471 -2.971 4.198 1.00 0.00 ATOM 216 CD2 LEU 31 0.217 -2.832 2.360 1.00 0.00 ATOM 217 O LEU 31 -2.825 -6.085 1.149 1.00 0.00 ATOM 218 C LEU 31 -3.042 -5.777 2.320 1.00 0.00 ATOM 219 N TYR 32 -4.223 -5.348 2.741 1.00 0.00 ATOM 220 CA TYR 32 -5.344 -5.237 1.819 1.00 0.00 ATOM 221 CB TYR 32 -6.550 -5.916 2.445 1.00 0.00 ATOM 222 CG TYR 32 -6.434 -7.415 2.563 1.00 0.00 ATOM 223 CD1 TYR 32 -6.908 -8.062 3.702 1.00 0.00 ATOM 224 CD2 TYR 32 -5.887 -8.151 1.528 1.00 0.00 ATOM 225 CE1 TYR 32 -6.801 -9.448 3.793 1.00 0.00 ATOM 226 CE2 TYR 32 -5.792 -9.532 1.608 1.00 0.00 ATOM 227 CZ TYR 32 -6.250 -10.154 2.745 1.00 0.00 ATOM 228 OH TYR 32 -6.169 -11.530 2.827 1.00 0.00 ATOM 229 O TYR 32 -5.859 -3.018 2.654 1.00 0.00 ATOM 230 C TYR 32 -5.816 -3.803 1.669 1.00 0.00 ATOM 231 N ILE 33 -6.225 -3.437 0.453 1.00 0.00 ATOM 232 CA ILE 33 -6.860 -2.177 0.185 1.00 0.00 ATOM 233 CB ILE 33 -6.837 -1.832 -1.316 1.00 0.00 ATOM 234 CG1 ILE 33 -5.396 -1.785 -1.830 1.00 0.00 ATOM 235 CG2 ILE 33 -7.481 -0.476 -1.562 1.00 0.00 ATOM 236 CD1 ILE 33 -5.288 -1.684 -3.336 1.00 0.00 ATOM 237 O ILE 33 -9.047 -3.161 0.299 1.00 0.00 ATOM 238 C ILE 33 -8.293 -2.284 0.716 1.00 0.00 ATOM 239 N VAL 34 -8.660 -1.405 1.643 1.00 0.00 ATOM 240 CA VAL 34 -9.997 -1.436 2.238 1.00 0.00 ATOM 241 CB VAL 34 -9.946 -1.263 3.768 1.00 0.00 ATOM 242 CG1 VAL 34 -9.110 -2.365 4.401 1.00 0.00 ATOM 243 CG2 VAL 34 -9.328 0.079 4.130 1.00 0.00 ATOM 244 O VAL 34 -12.140 -0.486 1.645 1.00 0.00 ATOM 245 C VAL 34 -10.904 -0.349 1.668 1.00 0.00 ATOM 246 N GLN 35 -10.140 0.697 1.024 1.00 0.00 ATOM 247 CA GLN 35 -10.862 1.829 0.466 1.00 0.00 ATOM 248 CB GLN 35 -11.164 2.837 1.577 1.00 0.00 ATOM 249 CG GLN 35 -11.897 4.081 1.105 1.00 0.00 ATOM 250 CD GLN 35 -12.309 4.985 2.249 1.00 0.00 ATOM 251 OE1 GLN 35 -11.945 4.749 3.402 1.00 0.00 ATOM 252 NE2 GLN 35 -13.073 6.025 1.935 1.00 0.00 ATOM 253 O GLN 35 -8.862 2.875 -0.360 1.00 0.00 ATOM 254 C GLN 35 -10.060 2.649 -0.536 1.00 0.00 ATOM 255 N VAL 36 -10.750 3.055 -1.629 1.00 0.00 ATOM 256 CA VAL 36 -10.127 3.869 -2.662 1.00 0.00 ATOM 257 CB VAL 36 -10.183 3.112 -4.002 1.00 0.00 ATOM 258 CG1 VAL 36 -9.537 3.935 -5.106 1.00 0.00 ATOM 259 CG2 VAL 36 -9.445 1.786 -3.895 1.00 0.00 ATOM 260 O VAL 36 -12.111 5.152 -3.076 1.00 0.00 ATOM 261 C VAL 36 -10.925 5.165 -2.737 1.00 0.00 ATOM 262 N PHE 37 -10.276 6.277 -2.406 1.00 0.00 ATOM 263 CA PHE 37 -10.936 7.577 -2.397 1.00 0.00 ATOM 264 CB PHE 37 -10.072 8.613 -1.675 1.00 0.00 ATOM 265 CG PHE 37 -9.997 8.409 -0.188 1.00 0.00 ATOM 266 CD1 PHE 37 -8.898 7.794 0.387 1.00 0.00 ATOM 267 CD2 PHE 37 -11.025 8.831 0.635 1.00 0.00 ATOM 268 CE1 PHE 37 -8.830 7.606 1.754 1.00 0.00 ATOM 269 CE2 PHE 37 -10.957 8.645 2.003 1.00 0.00 ATOM 270 CZ PHE 37 -9.864 8.034 2.562 1.00 0.00 ATOM 271 O PHE 37 -10.438 8.019 -4.696 1.00 0.00 ATOM 272 C PHE 37 -11.252 8.113 -3.780 1.00 0.00 ATOM 273 N ASP 38 -12.472 8.610 -3.928 1.00 0.00 ATOM 274 CA ASP 38 -12.935 9.162 -5.191 1.00 0.00 ATOM 275 CB ASP 38 -14.352 9.714 -5.025 1.00 0.00 ATOM 276 CG ASP 38 -15.393 8.618 -4.907 1.00 0.00 ATOM 277 OD1 ASP 38 -15.049 7.442 -5.142 1.00 0.00 ATOM 278 OD2 ASP 38 -16.557 8.939 -4.579 1.00 0.00 ATOM 279 O ASP 38 -11.718 11.219 -4.948 1.00 0.00 ATOM 280 C ASP 38 -12.047 10.298 -5.697 1.00 0.00 ATOM 281 N ASN 39 -11.723 10.164 -7.051 1.00 0.00 ATOM 282 CA ASN 39 -10.953 11.212 -7.701 1.00 0.00 ATOM 283 CB ASN 39 -11.494 12.588 -7.281 1.00 0.00 ATOM 284 CG ASN 39 -12.802 12.800 -7.958 1.00 0.00 ATOM 285 ND2 ASN 39 -13.785 13.203 -7.169 1.00 0.00 ATOM 286 OD1 ASN 39 -12.963 12.443 -9.163 1.00 0.00 ATOM 287 O ASN 39 -8.828 12.223 -8.032 1.00 0.00 ATOM 288 C ASN 39 -9.472 11.377 -7.417 1.00 0.00 ATOM 289 N THR 40 -8.913 10.588 -6.503 1.00 0.00 ATOM 290 CA THR 40 -7.494 10.729 -6.201 1.00 0.00 ATOM 291 CB THR 40 -7.182 10.406 -4.727 1.00 0.00 ATOM 292 CG2 THR 40 -7.997 11.294 -3.802 1.00 0.00 ATOM 293 OG1 THR 40 -7.503 9.035 -4.458 1.00 0.00 ATOM 294 O THR 40 -7.155 9.065 -7.902 1.00 0.00 ATOM 295 C THR 40 -6.637 9.794 -7.056 1.00 0.00 ATOM 296 N PRO 41 -5.326 9.822 -6.829 1.00 0.00 ATOM 297 CA PRO 41 -4.376 9.038 -7.623 1.00 0.00 ATOM 298 CB PRO 41 -3.078 9.223 -6.755 1.00 0.00 ATOM 299 CG PRO 41 -3.249 10.588 -6.194 1.00 0.00 ATOM 300 CD PRO 41 -4.714 10.602 -5.798 1.00 0.00 ATOM 301 O PRO 41 -4.773 7.133 -9.009 1.00 0.00 ATOM 302 C PRO 41 -4.739 7.574 -7.861 1.00 0.00 ATOM 303 N ALA 42 -4.996 6.818 -6.801 1.00 0.00 ATOM 304 CA ALA 42 -5.343 5.409 -6.962 1.00 0.00 ATOM 305 CB ALA 42 -5.632 4.777 -5.608 1.00 0.00 ATOM 306 O ALA 42 -6.582 4.387 -8.736 1.00 0.00 ATOM 307 C ALA 42 -6.583 5.208 -7.821 1.00 0.00 ATOM 308 N ALA 43 -7.647 5.987 -7.538 1.00 0.00 ATOM 309 CA ALA 43 -8.849 5.900 -8.361 1.00 0.00 ATOM 310 CB ALA 43 -9.878 6.876 -7.813 1.00 0.00 ATOM 311 O ALA 43 -9.197 5.713 -10.706 1.00 0.00 ATOM 312 C ALA 43 -8.573 6.266 -9.806 1.00 0.00 ATOM 313 N LEU 44 -7.638 7.179 -10.036 1.00 0.00 ATOM 314 CA LEU 44 -7.325 7.599 -11.412 1.00 0.00 ATOM 315 CB LEU 44 -6.285 8.720 -11.383 1.00 0.00 ATOM 316 CG LEU 44 -6.746 10.060 -10.807 1.00 0.00 ATOM 317 CD1 LEU 44 -5.582 11.036 -10.714 1.00 0.00 ATOM 318 CD2 LEU 44 -7.820 10.683 -11.686 1.00 0.00 ATOM 319 O LEU 44 -6.957 6.473 -13.488 1.00 0.00 ATOM 320 C LEU 44 -6.781 6.463 -12.275 1.00 0.00 ATOM 321 N ASP 45 -6.108 5.443 -11.603 1.00 0.00 ATOM 322 CA ASP 45 -5.562 4.331 -12.386 1.00 0.00 ATOM 323 CB ASP 45 -4.730 3.411 -11.488 1.00 0.00 ATOM 324 CG ASP 45 -3.424 4.047 -11.054 1.00 0.00 ATOM 325 OD1 ASP 45 -3.048 5.086 -11.634 1.00 0.00 ATOM 326 OD2 ASP 45 -2.779 3.505 -10.131 1.00 0.00 ATOM 327 O ASP 45 -6.328 2.977 -14.223 1.00 0.00 ATOM 328 C ASP 45 -6.601 3.485 -13.118 1.00 0.00 ATOM 329 N GLY 46 -7.811 3.372 -12.493 1.00 0.00 ATOM 330 CA GLY 46 -8.844 2.511 -13.045 1.00 0.00 ATOM 331 O GLY 46 -9.211 0.171 -13.400 1.00 0.00 ATOM 332 C GLY 46 -8.481 1.044 -12.902 1.00 0.00 ATOM 333 N THR 47 -7.375 0.775 -12.221 1.00 0.00 ATOM 334 CA THR 47 -6.854 -0.601 -12.140 1.00 0.00 ATOM 335 CB THR 47 -5.452 -0.597 -12.776 1.00 0.00 ATOM 336 CG2 THR 47 -5.532 -0.173 -14.235 1.00 0.00 ATOM 337 OG1 THR 47 -4.608 0.322 -12.072 1.00 0.00 ATOM 338 O THR 47 -6.432 -2.410 -10.628 1.00 0.00 ATOM 339 C THR 47 -6.776 -1.236 -10.755 1.00 0.00 ATOM 340 N VAL 48 -7.093 -0.509 -9.703 1.00 0.00 ATOM 341 CA VAL 48 -7.051 -1.018 -8.339 1.00 0.00 ATOM 342 CB VAL 48 -6.400 0.017 -7.393 1.00 0.00 ATOM 343 CG1 VAL 48 -6.536 -0.452 -5.947 1.00 0.00 ATOM 344 CG2 VAL 48 -4.925 0.179 -7.746 1.00 0.00 ATOM 345 O VAL 48 -9.371 -0.440 -8.115 1.00 0.00 ATOM 346 C VAL 48 -8.454 -1.173 -7.746 1.00 0.00 ATOM 347 N ALA 49 -8.616 -2.131 -6.836 1.00 0.00 ATOM 348 CA ALA 49 -9.920 -2.377 -6.232 1.00 0.00 ATOM 349 CB ALA 49 -10.648 -3.506 -6.942 1.00 0.00 ATOM 350 O ALA 49 -8.781 -3.257 -4.321 1.00 0.00 ATOM 351 C ALA 49 -9.809 -2.755 -4.767 1.00 0.00 ATOM 352 N ALA 50 -10.872 -2.482 -4.020 1.00 0.00 ATOM 353 CA ALA 50 -10.929 -2.843 -2.614 1.00 0.00 ATOM 354 CB ALA 50 -12.223 -2.342 -1.989 1.00 0.00 ATOM 355 O ALA 50 -11.402 -5.017 -3.514 1.00 0.00 ATOM 356 C ALA 50 -10.859 -4.369 -2.618 1.00 0.00 ATOM 357 N GLY 51 -10.132 -4.943 -1.670 1.00 0.00 ATOM 358 CA GLY 51 -10.009 -6.388 -1.634 1.00 0.00 ATOM 359 O GLY 51 -8.397 -8.062 -2.193 1.00 0.00 ATOM 360 C GLY 51 -8.717 -6.874 -2.270 1.00 0.00 ATOM 361 N ASP 52 -7.992 -5.971 -2.932 1.00 0.00 ATOM 362 CA ASP 52 -6.712 -6.320 -3.550 1.00 0.00 ATOM 363 CB ASP 52 -6.301 -5.255 -4.567 1.00 0.00 ATOM 364 CG ASP 52 -7.148 -5.288 -5.823 1.00 0.00 ATOM 365 OD1 ASP 52 -7.897 -6.271 -6.009 1.00 0.00 ATOM 366 OD2 ASP 52 -7.067 -4.331 -6.622 1.00 0.00 ATOM 367 O ASP 52 -5.471 -5.428 -1.715 1.00 0.00 ATOM 368 C ASP 52 -5.620 -6.366 -2.495 1.00 0.00 ATOM 369 N GLU 53 -4.800 -7.407 -2.525 1.00 0.00 ATOM 370 CA GLU 53 -3.688 -7.493 -1.598 1.00 0.00 ATOM 371 CB GLU 53 -3.437 -8.924 -1.135 1.00 0.00 ATOM 372 CG GLU 53 -2.818 -9.856 -2.182 1.00 0.00 ATOM 373 CD GLU 53 -2.884 -11.327 -1.814 1.00 0.00 ATOM 374 OE1 GLU 53 -2.536 -12.173 -2.673 1.00 0.00 ATOM 375 OE2 GLU 53 -3.256 -11.682 -0.640 1.00 0.00 ATOM 376 O GLU 53 -2.242 -7.006 -3.436 1.00 0.00 ATOM 377 C GLU 53 -2.498 -6.801 -2.254 1.00 0.00 ATOM 378 N ILE 54 -1.710 -5.959 -1.477 1.00 0.00 ATOM 379 CA ILE 54 -0.542 -5.280 -2.022 1.00 0.00 ATOM 380 CB ILE 54 -0.333 -3.841 -1.472 1.00 0.00 ATOM 381 CG1 ILE 54 -1.641 -3.041 -1.547 1.00 0.00 ATOM 382 CG2 ILE 54 0.761 -3.121 -2.306 1.00 0.00 ATOM 383 CD1 ILE 54 -1.560 -1.688 -0.871 1.00 0.00 ATOM 384 O ILE 54 0.915 -6.561 -0.614 1.00 0.00 ATOM 385 C ILE 54 0.618 -6.234 -1.763 1.00 0.00 ATOM 386 N THR 55 1.257 -6.698 -2.829 1.00 0.00 ATOM 387 CA THR 55 2.350 -7.654 -2.695 1.00 0.00 ATOM 388 CB THR 55 2.246 -8.791 -3.729 1.00 0.00 ATOM 389 CG2 THR 55 0.930 -9.538 -3.571 1.00 0.00 ATOM 390 OG1 THR 55 2.313 -8.246 -5.052 1.00 0.00 ATOM 391 O THR 55 4.708 -7.561 -2.289 1.00 0.00 ATOM 392 C THR 55 3.741 -7.062 -2.868 1.00 0.00 ATOM 393 N GLY 56 3.829 -5.948 -3.581 1.00 0.00 ATOM 394 CA GLY 56 5.118 -5.307 -3.786 1.00 0.00 ATOM 395 O GLY 56 4.088 -3.429 -4.856 1.00 0.00 ATOM 396 C GLY 56 4.921 -3.827 -4.031 1.00 0.00 ATOM 397 N VAL 57 5.780 -2.949 -3.354 1.00 0.00 ATOM 398 CA VAL 57 5.724 -1.500 -3.592 1.00 0.00 ATOM 399 CB VAL 57 5.397 -0.762 -2.281 1.00 0.00 ATOM 400 CG1 VAL 57 5.404 0.744 -2.505 1.00 0.00 ATOM 401 CG2 VAL 57 4.023 -1.166 -1.770 1.00 0.00 ATOM 402 O VAL 57 8.074 -1.151 -3.290 1.00 0.00 ATOM 403 C VAL 57 7.113 -1.090 -4.061 1.00 0.00 ATOM 404 N ASN 58 7.243 -0.694 -5.342 1.00 0.00 ATOM 405 CA ASN 58 8.526 -0.300 -5.916 1.00 0.00 ATOM 406 CB ASN 58 8.958 1.044 -5.371 1.00 0.00 ATOM 407 CG ASN 58 7.942 2.127 -5.744 1.00 0.00 ATOM 408 ND2 ASN 58 7.417 2.826 -4.736 1.00 0.00 ATOM 409 OD1 ASN 58 7.626 2.320 -6.923 1.00 0.00 ATOM 410 O ASN 58 10.720 -1.110 -5.344 1.00 0.00 ATOM 411 C ASN 58 9.578 -1.393 -5.703 1.00 0.00 ATOM 412 N GLY 59 9.199 -2.636 -5.978 1.00 0.00 ATOM 413 CA GLY 59 10.136 -3.740 -5.840 1.00 0.00 ATOM 414 O GLY 59 11.016 -5.275 -4.233 1.00 0.00 ATOM 415 C GLY 59 10.314 -4.281 -4.435 1.00 0.00 ATOM 416 N ARG 60 9.736 -3.600 -3.454 1.00 0.00 ATOM 417 CA ARG 60 9.853 -4.047 -2.077 1.00 0.00 ATOM 418 CB ARG 60 10.054 -2.831 -1.141 1.00 0.00 ATOM 419 CG ARG 60 11.349 -2.069 -1.347 1.00 0.00 ATOM 420 CD ARG 60 11.450 -0.931 -0.336 1.00 0.00 ATOM 421 NE ARG 60 10.388 0.051 -0.528 1.00 0.00 ATOM 422 CZ ARG 60 10.133 1.037 0.333 1.00 0.00 ATOM 423 NH1 ARG 60 9.148 1.905 0.100 1.00 0.00 ATOM 424 NH2 ARG 60 10.864 1.148 1.435 1.00 0.00 ATOM 425 O ARG 60 7.547 -4.660 -1.817 1.00 0.00 ATOM 426 C ARG 60 8.723 -5.013 -1.746 1.00 0.00 ATOM 427 N SER 61 9.092 -6.237 -1.394 1.00 0.00 ATOM 428 CA SER 61 8.125 -7.272 -1.066 1.00 0.00 ATOM 429 CB SER 61 8.843 -8.616 -0.957 1.00 0.00 ATOM 430 OG SER 61 9.434 -8.953 -2.172 1.00 0.00 ATOM 431 O SER 61 7.995 -6.702 1.265 1.00 0.00 ATOM 432 C SER 61 7.381 -6.989 0.239 1.00 0.00 ATOM 433 N ILE 62 6.055 -7.080 0.196 1.00 0.00 ATOM 434 CA ILE 62 5.233 -6.838 1.376 1.00 0.00 ATOM 435 CB ILE 62 4.443 -5.530 1.304 1.00 0.00 ATOM 436 CG1 ILE 62 3.524 -5.511 0.078 1.00 0.00 ATOM 437 CG2 ILE 62 5.409 -4.366 1.263 1.00 0.00 ATOM 438 CD1 ILE 62 2.603 -4.304 0.018 1.00 0.00 ATOM 439 O ILE 62 3.336 -7.905 2.371 1.00 0.00 ATOM 440 C ILE 62 4.307 -8.024 1.627 1.00 0.00 ATOM 441 N LYS 63 4.599 -9.163 1.002 1.00 0.00 ATOM 442 CA LYS 63 3.753 -10.344 1.151 1.00 0.00 ATOM 443 CB LYS 63 4.721 -11.621 0.740 1.00 0.00 ATOM 444 CG LYS 63 4.132 -12.859 0.178 1.00 0.00 ATOM 445 CD LYS 63 5.155 -13.980 0.038 1.00 0.00 ATOM 446 CE LYS 63 4.584 -15.107 -0.794 1.00 0.00 ATOM 447 NZ LYS 63 4.912 -14.952 -2.247 1.00 0.00 ATOM 448 O LYS 63 2.679 -11.156 3.136 1.00 0.00 ATOM 449 C LYS 63 3.720 -10.740 2.624 1.00 0.00 ATOM 450 N GLY 64 4.829 -10.636 3.540 1.00 0.00 ATOM 451 CA GLY 64 4.809 -10.977 4.952 1.00 0.00 ATOM 452 O GLY 64 5.774 -9.977 6.916 1.00 0.00 ATOM 453 C GLY 64 5.143 -9.808 5.875 1.00 0.00 ATOM 454 N LYS 65 4.742 -8.612 5.463 1.00 0.00 ATOM 455 CA LYS 65 5.005 -7.412 6.243 1.00 0.00 ATOM 456 CB LYS 65 5.055 -6.140 5.357 1.00 0.00 ATOM 457 CG LYS 65 6.075 -6.189 4.215 1.00 0.00 ATOM 458 CD LYS 65 7.464 -6.416 4.768 1.00 0.00 ATOM 459 CE LYS 65 8.496 -6.498 3.655 1.00 0.00 ATOM 460 NZ LYS 65 9.868 -6.733 4.187 1.00 0.00 ATOM 461 O LYS 65 2.845 -7.646 7.269 1.00 0.00 ATOM 462 C LYS 65 3.998 -7.209 7.362 1.00 0.00 ATOM 463 N THR 66 4.450 -6.551 8.425 1.00 0.00 ATOM 464 CA THR 66 3.586 -6.226 9.554 1.00 0.00 ATOM 465 CB THR 66 4.407 -5.955 10.828 1.00 0.00 ATOM 466 CG2 THR 66 5.286 -7.151 11.159 1.00 0.00 ATOM 467 OG1 THR 66 5.241 -4.808 10.627 1.00 0.00 ATOM 468 O THR 66 3.166 -4.409 8.065 1.00 0.00 ATOM 469 C THR 66 2.843 -4.976 9.109 1.00 0.00 ATOM 470 N LYS 67 1.781 -4.613 9.816 1.00 0.00 ATOM 471 CA LYS 67 1.032 -3.411 9.450 1.00 0.00 ATOM 472 CB LYS 67 -0.075 -3.138 10.469 1.00 0.00 ATOM 473 CG LYS 67 -0.938 -1.931 10.138 1.00 0.00 ATOM 474 CD LYS 67 -2.059 -1.759 11.151 1.00 0.00 ATOM 475 CE LYS 67 -2.892 -0.524 10.848 1.00 0.00 ATOM 476 NZ LYS 67 -3.980 -0.331 11.846 1.00 0.00 ATOM 477 O LYS 67 1.914 -1.368 8.512 1.00 0.00 ATOM 478 C LYS 67 1.967 -2.194 9.427 1.00 0.00 ATOM 479 N VAL 68 2.838 -2.101 10.426 1.00 0.00 ATOM 480 CA VAL 68 3.766 -0.978 10.521 1.00 0.00 ATOM 481 CB VAL 68 4.541 -1.013 11.891 1.00 0.00 ATOM 482 CG1 VAL 68 5.657 0.030 11.937 1.00 0.00 ATOM 483 CG2 VAL 68 3.578 -0.807 13.056 1.00 0.00 ATOM 484 O VAL 68 4.948 0.099 8.764 1.00 0.00 ATOM 485 C VAL 68 4.752 -0.956 9.351 1.00 0.00 ATOM 486 N GLU 69 5.321 -2.087 8.982 1.00 0.00 ATOM 487 CA GLU 69 6.264 -2.116 7.857 1.00 0.00 ATOM 488 CB GLU 69 6.777 -3.540 7.649 1.00 0.00 ATOM 489 CG GLU 69 7.718 -4.026 8.738 1.00 0.00 ATOM 490 CD GLU 69 8.109 -5.481 8.566 1.00 0.00 ATOM 491 OE1 GLU 69 7.585 -6.130 7.637 1.00 0.00 ATOM 492 OE2 GLU 69 8.939 -5.970 9.360 1.00 0.00 ATOM 493 O GLU 69 6.135 -0.917 5.780 1.00 0.00 ATOM 494 C GLU 69 5.566 -1.667 6.576 1.00 0.00 ATOM 495 N VAL 70 4.328 -2.128 6.365 1.00 0.00 ATOM 496 CA VAL 70 3.593 -1.726 5.167 1.00 0.00 ATOM 497 CB VAL 70 2.197 -2.389 5.120 1.00 0.00 ATOM 498 CG1 VAL 70 1.377 -1.802 3.974 1.00 0.00 ATOM 499 CG2 VAL 70 2.348 -3.894 4.934 1.00 0.00 ATOM 500 O VAL 70 3.535 0.409 4.078 1.00 0.00 ATOM 501 C VAL 70 3.374 -0.221 5.121 1.00 0.00 ATOM 502 N ALA 71 2.995 0.349 6.260 1.00 0.00 ATOM 503 CA ALA 71 2.758 1.782 6.360 1.00 0.00 ATOM 504 CB ALA 71 2.271 2.161 7.737 1.00 0.00 ATOM 505 O ALA 71 3.987 3.575 5.345 1.00 0.00 ATOM 506 C ALA 71 4.031 2.567 6.047 1.00 0.00 ATOM 507 N LYS 72 5.159 2.113 6.583 1.00 0.00 ATOM 508 CA LYS 72 6.424 2.799 6.353 1.00 0.00 ATOM 509 CB LYS 72 7.540 2.160 7.183 1.00 0.00 ATOM 510 CG LYS 72 7.416 2.401 8.680 1.00 0.00 ATOM 511 CD LYS 72 8.553 1.744 9.441 1.00 0.00 ATOM 512 CE LYS 72 8.412 1.956 10.939 1.00 0.00 ATOM 513 NZ LYS 72 9.507 1.296 11.700 1.00 0.00 ATOM 514 O LYS 72 7.288 3.726 4.309 1.00 0.00 ATOM 515 C LYS 72 6.840 2.728 4.889 1.00 0.00 ATOM 516 N MET 73 6.690 1.558 4.296 1.00 0.00 ATOM 517 CA MET 73 7.050 1.410 2.885 1.00 0.00 ATOM 518 CB MET 73 6.827 -0.039 2.448 1.00 0.00 ATOM 519 CG MET 73 7.294 -0.340 1.035 1.00 0.00 ATOM 520 SD MET 73 6.953 -2.040 0.535 1.00 0.00 ATOM 521 CE MET 73 8.083 -2.936 1.596 1.00 0.00 ATOM 522 O MET 73 6.739 3.035 1.154 1.00 0.00 ATOM 523 C MET 73 6.217 2.333 2.030 1.00 0.00 ATOM 524 N ILE 74 4.901 2.334 2.248 1.00 0.00 ATOM 525 CA ILE 74 3.985 3.174 1.484 1.00 0.00 ATOM 526 CB ILE 74 2.514 2.792 1.808 1.00 0.00 ATOM 527 CG1 ILE 74 2.233 1.377 1.297 1.00 0.00 ATOM 528 CG2 ILE 74 1.552 3.797 1.187 1.00 0.00 ATOM 529 CD1 ILE 74 0.828 0.890 1.568 1.00 0.00 ATOM 530 O ILE 74 4.145 5.479 0.825 1.00 0.00 ATOM 531 C ILE 74 4.208 4.661 1.743 1.00 0.00 ATOM 532 N GLN 75 4.511 4.976 2.987 1.00 0.00 ATOM 533 CA GLN 75 4.748 6.361 3.377 1.00 0.00 ATOM 534 CB GLN 75 4.928 6.425 4.931 1.00 0.00 ATOM 535 CG GLN 75 5.131 7.872 5.423 1.00 0.00 ATOM 536 CD GLN 75 3.863 8.652 5.060 1.00 0.00 ATOM 537 OE1 GLN 75 2.803 8.244 5.538 1.00 0.00 ATOM 538 NE2 GLN 75 3.949 9.681 4.231 1.00 0.00 ATOM 539 O GLN 75 5.927 8.086 2.208 1.00 0.00 ATOM 540 C GLN 75 5.978 6.958 2.694 1.00 0.00 ATOM 541 N GLU 76 6.993 6.134 2.458 1.00 0.00 ATOM 542 CA GLU 76 8.234 6.602 1.842 1.00 0.00 ATOM 543 CB GLU 76 9.414 5.738 2.295 1.00 0.00 ATOM 544 CG GLU 76 9.700 5.811 3.785 1.00 0.00 ATOM 545 CD GLU 76 10.887 4.960 4.192 1.00 0.00 ATOM 546 OE1 GLU 76 11.484 4.313 3.307 1.00 0.00 ATOM 547 OE2 GLU 76 11.220 4.943 5.396 1.00 0.00 ATOM 548 O GLU 76 9.247 7.256 -0.242 1.00 0.00 ATOM 549 C GLU 76 8.230 6.833 0.329 1.00 0.00 ATOM 550 N VAL 77 7.137 6.456 -0.327 1.00 0.00 ATOM 551 CA VAL 77 7.043 6.514 -1.778 1.00 0.00 ATOM 552 CB VAL 77 5.916 5.520 -2.257 1.00 0.00 ATOM 553 CG1 VAL 77 6.132 4.136 -1.652 1.00 0.00 ATOM 554 CG2 VAL 77 4.557 6.052 -1.825 1.00 0.00 ATOM 555 O VAL 77 6.616 8.880 -1.665 1.00 0.00 ATOM 556 C VAL 77 7.007 7.931 -2.349 1.00 0.00 ATOM 557 N LYS 78 7.423 8.062 -3.603 1.00 0.00 ATOM 558 CA LYS 78 7.432 9.356 -4.257 1.00 0.00 ATOM 559 CB LYS 78 8.810 10.047 -3.935 1.00 0.00 ATOM 560 CG LYS 78 8.918 11.510 -4.196 1.00 0.00 ATOM 561 CD LYS 78 10.365 11.959 -4.057 1.00 0.00 ATOM 562 CE LYS 78 10.501 13.438 -4.314 1.00 0.00 ATOM 563 NZ LYS 78 11.922 13.883 -4.255 1.00 0.00 ATOM 564 O LYS 78 7.573 8.950 -6.629 1.00 0.00 ATOM 565 C LYS 78 6.981 9.484 -5.709 1.00 0.00 ATOM 566 N GLY 79 5.845 10.318 -5.859 1.00 0.00 ATOM 567 CA GLY 79 5.294 10.445 -7.197 1.00 0.00 ATOM 568 O GLY 79 3.736 9.022 -8.322 1.00 0.00 ATOM 569 C GLY 79 4.904 9.199 -7.972 1.00 0.00 ATOM 570 N GLU 80 5.911 8.447 -8.398 1.00 0.00 ATOM 571 CA GLU 80 5.717 7.239 -9.184 1.00 0.00 ATOM 572 CB GLU 80 6.536 7.311 -10.521 1.00 0.00 ATOM 573 CG GLU 80 6.339 8.683 -11.184 1.00 0.00 ATOM 574 CD GLU 80 7.470 8.963 -12.150 1.00 0.00 ATOM 575 OE1 GLU 80 7.320 9.914 -12.969 1.00 0.00 ATOM 576 OE2 GLU 80 8.500 8.255 -12.103 1.00 0.00 ATOM 577 O GLU 80 6.822 5.575 -7.873 1.00 0.00 ATOM 578 C GLU 80 5.766 5.991 -8.325 1.00 0.00 ATOM 579 N VAL 81 4.593 5.398 -8.042 1.00 0.00 ATOM 580 CA VAL 81 4.517 4.239 -7.175 1.00 0.00 ATOM 581 CB VAL 81 3.529 4.467 -6.016 1.00 0.00 ATOM 582 CG1 VAL 81 3.430 3.220 -5.149 1.00 0.00 ATOM 583 CG2 VAL 81 3.991 5.623 -5.141 1.00 0.00 ATOM 584 O VAL 81 2.854 2.936 -8.300 1.00 0.00 ATOM 585 C VAL 81 4.020 3.002 -7.915 1.00 0.00 ATOM 586 N THR 82 4.908 2.032 -8.121 1.00 0.00 ATOM 587 CA THR 82 4.549 0.794 -8.811 1.00 0.00 ATOM 588 CB THR 82 5.736 0.270 -9.641 1.00 0.00 ATOM 589 CG2 THR 82 5.353 -1.012 -10.366 1.00 0.00 ATOM 590 OG1 THR 82 6.119 1.254 -10.607 1.00 0.00 ATOM 591 O THR 82 4.893 -0.620 -6.902 1.00 0.00 ATOM 592 C THR 82 4.135 -0.273 -7.804 1.00 0.00 ATOM 593 N ILE 83 2.899 -0.741 -7.913 1.00 0.00 ATOM 594 CA ILE 83 2.396 -1.748 -6.992 1.00 0.00 ATOM 595 CB ILE 83 1.086 -1.307 -6.314 1.00 0.00 ATOM 596 CG1 ILE 83 1.316 -0.047 -5.476 1.00 0.00 ATOM 597 CG2 ILE 83 0.563 -2.405 -5.399 1.00 0.00 ATOM 598 CD1 ILE 83 0.041 0.590 -4.969 1.00 0.00 ATOM 599 O ILE 83 1.640 -3.084 -8.826 1.00 0.00 ATOM 600 C ILE 83 2.116 -3.065 -7.692 1.00 0.00 ATOM 601 N HIS 84 2.490 -4.155 -7.050 1.00 0.00 ATOM 602 CA HIS 84 2.059 -5.486 -7.475 1.00 0.00 ATOM 603 CB HIS 84 3.294 -6.387 -7.419 1.00 0.00 ATOM 604 CG HIS 84 4.425 -5.916 -8.280 1.00 0.00 ATOM 605 CD2 HIS 84 5.640 -5.144 -8.067 1.00 0.00 ATOM 606 ND1 HIS 84 4.497 -6.189 -9.629 1.00 0.00 ATOM 607 CE1 HIS 84 5.618 -5.639 -10.128 1.00 0.00 ATOM 608 NE2 HIS 84 6.309 -5.011 -9.196 1.00 0.00 ATOM 609 O HIS 84 1.133 -5.603 -5.276 1.00 0.00 ATOM 610 C HIS 84 0.970 -5.824 -6.489 1.00 0.00 ATOM 611 N TYR 85 -0.186 -6.229 -7.009 1.00 0.00 ATOM 612 CA TYR 85 -1.360 -6.548 -6.225 1.00 0.00 ATOM 613 CB TYR 85 -2.414 -5.436 -6.240 1.00 0.00 ATOM 614 CG TYR 85 -3.033 -5.198 -7.597 1.00 0.00 ATOM 615 CD1 TYR 85 -4.212 -5.833 -7.964 1.00 0.00 ATOM 616 CD2 TYR 85 -2.436 -4.336 -8.508 1.00 0.00 ATOM 617 CE1 TYR 85 -4.785 -5.620 -9.203 1.00 0.00 ATOM 618 CE2 TYR 85 -2.994 -4.111 -9.752 1.00 0.00 ATOM 619 CZ TYR 85 -4.178 -4.762 -10.094 1.00 0.00 ATOM 620 OH TYR 85 -4.747 -4.547 -11.330 1.00 0.00 ATOM 621 O TYR 85 -1.693 -8.301 -7.817 1.00 0.00 ATOM 622 C TYR 85 -2.047 -7.794 -6.753 1.00 0.00 ATOM 623 N ASN 86 -2.940 -8.353 -5.943 1.00 0.00 ATOM 624 CA ASN 86 -3.658 -9.558 -6.320 1.00 0.00 ATOM 625 CB ASN 86 -2.844 -10.784 -5.902 1.00 0.00 ATOM 626 CG ASN 86 -3.467 -12.083 -6.370 1.00 0.00 ATOM 627 ND2 ASN 86 -2.772 -12.783 -7.260 1.00 0.00 ATOM 628 OD1 ASN 86 -4.559 -12.452 -5.936 1.00 0.00 ATOM 629 O ASN 86 -5.151 -9.381 -4.451 1.00 0.00 ATOM 630 C ASN 86 -5.022 -9.648 -5.646 1.00 0.00 ATOM 631 N LYS 87 -6.043 -10.010 -6.408 1.00 0.00 ATOM 632 CA LYS 87 -7.397 -10.168 -5.887 1.00 0.00 ATOM 633 CB LYS 87 -8.361 -10.562 -7.008 1.00 0.00 ATOM 634 CG LYS 87 -9.812 -10.671 -6.569 1.00 0.00 ATOM 635 CD LYS 87 -10.723 -10.982 -7.745 1.00 0.00 ATOM 636 CE LYS 87 -12.164 -11.167 -7.295 1.00 0.00 ATOM 637 NZ LYS 87 -13.079 -11.404 -8.444 1.00 0.00 ATOM 638 O LYS 87 -6.984 -12.421 -5.165 1.00 0.00 ATOM 639 C LYS 87 -7.331 -11.280 -4.844 1.00 0.00 ATOM 640 N LEU 88 -7.645 -10.944 -3.605 1.00 0.00 ATOM 641 CA LEU 88 -7.572 -11.927 -2.524 1.00 0.00 ATOM 642 CB LEU 88 -8.090 -11.351 -1.206 1.00 0.00 ATOM 643 CG LEU 88 -8.189 -12.322 -0.016 1.00 0.00 ATOM 644 CD1 LEU 88 -6.803 -12.880 0.309 1.00 0.00 ATOM 645 CD2 LEU 88 -8.802 -11.623 1.195 1.00 0.00 ATOM 646 O LEU 88 -9.570 -13.045 -3.303 1.00 0.00 ATOM 647 C LEU 88 -8.530 -13.127 -2.643 1.00 0.00 ATOM 648 N GLN 89 -8.265 -14.331 -1.982 1.00 0.00 ATOM 649 CA GLN 89 -9.193 -15.448 -2.004 1.00 0.00 ATOM 650 CB GLN 89 -8.593 -16.696 -1.366 1.00 0.00 ATOM 651 CG GLN 89 -7.528 -17.369 -2.240 1.00 0.00 ATOM 652 CD GLN 89 -6.763 -18.449 -1.494 1.00 0.00 ATOM 653 OE1 GLN 89 -6.919 -18.607 -0.279 1.00 0.00 ATOM 654 NE2 GLN 89 -5.903 -19.174 -2.207 1.00 0.00 ATOM 655 O GLN 89 -11.598 -15.423 -1.796 1.00 0.00 ATOM 656 C GLN 89 -10.523 -15.022 -1.352 1.00 0.00 ATOM 657 N TYR 90 -10.426 -14.166 -0.316 1.00 0.00 ATOM 658 CA TYR 90 -11.618 -13.676 0.368 1.00 0.00 ATOM 659 CB TYR 90 -11.270 -12.685 1.457 1.00 0.00 ATOM 660 CG TYR 90 -12.425 -11.951 2.037 1.00 0.00 ATOM 661 CD1 TYR 90 -13.357 -12.622 2.829 1.00 0.00 ATOM 662 CD2 TYR 90 -12.545 -10.582 1.852 1.00 0.00 ATOM 663 CE1 TYR 90 -14.429 -11.925 3.357 1.00 0.00 ATOM 664 CE2 TYR 90 -13.613 -9.875 2.382 1.00 0.00 ATOM 665 CZ TYR 90 -14.547 -10.567 3.104 1.00 0.00 ATOM 666 OH TYR 90 -15.611 -9.880 3.645 1.00 0.00 ATOM 667 O TYR 90 -13.692 -13.240 -0.729 1.00 0.00 ATOM 668 C TYR 90 -12.522 -12.939 -0.589 1.00 0.00 ATOM 669 N TYR 91 -11.848 -11.891 -1.224 1.00 0.00 ATOM 670 CA TYR 91 -12.600 -11.076 -2.132 1.00 0.00 ATOM 671 CB TYR 91 -11.718 -9.903 -2.582 1.00 0.00 ATOM 672 CG TYR 91 -12.366 -8.868 -3.476 1.00 0.00 ATOM 673 CD1 TYR 91 -13.283 -7.948 -2.966 1.00 0.00 ATOM 674 CD2 TYR 91 -12.014 -8.773 -4.819 1.00 0.00 ATOM 675 CE1 TYR 91 -13.862 -6.973 -3.788 1.00 0.00 ATOM 676 CE2 TYR 91 -12.591 -7.810 -5.651 1.00 0.00 ATOM 677 CZ TYR 91 -13.507 -6.914 -5.127 1.00 0.00 ATOM 678 OH TYR 91 -14.064 -5.958 -5.951 1.00 0.00 ATOM 679 O TYR 91 -14.186 -11.623 -3.821 1.00 0.00 ATOM 680 C TYR 91 -13.111 -11.911 -3.319 1.00 0.00 ATOM 681 N LYS 92 -12.327 -12.870 -3.793 1.00 0.00 ATOM 682 CA LYS 92 -12.796 -13.796 -4.865 1.00 0.00 ATOM 683 CB LYS 92 -11.720 -14.820 -5.148 1.00 0.00 ATOM 684 CG LYS 92 -12.047 -15.677 -6.331 1.00 0.00 ATOM 685 CD LYS 92 -10.977 -16.709 -6.597 1.00 0.00 ATOM 686 CE LYS 92 -11.347 -17.560 -7.775 1.00 0.00 ATOM 687 NZ LYS 92 -10.342 -18.616 -7.942 1.00 0.00 ATOM 688 O LYS 92 -15.000 -14.667 -5.201 1.00 0.00 ATOM 689 C LYS 92 -14.091 -14.463 -4.407 1.00 0.00 ATOM 690 N VAL 93 -14.172 -14.843 -3.137 1.00 0.00 ATOM 691 CA VAL 93 -15.370 -15.476 -2.596 1.00 0.00 ATOM 692 CB VAL 93 -15.185 -15.859 -1.116 1.00 0.00 ATOM 693 CG1 VAL 93 -16.476 -16.436 -0.550 1.00 0.00 ATOM 694 CG2 VAL 93 -14.089 -16.902 -0.968 1.00 0.00 ATOM 695 O VAL 93 -16.426 -13.340 -2.794 1.00 0.00 ATOM 696 C VAL 93 -16.597 -14.573 -2.661 1.00 0.00 TER END