PFRMAT TS TARGET T0302 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 For T0302, the automatic optimization (try1-opt2) resulted in a model METHOD so close to the models form the alignments, that we just did a little METHOD polishing with break and clash weights turned up. METHOD METHOD Model 1 is the result of this polishing (try2-opt2). METHOD Model 2 is the initial automatic model (try1-opt2). METHOD Model 3 is SCWRL sidechain replacement on an alignment to 1fqiA. METHOD Model 4 is SCWRL sidechain replacement on an alignment to 2bt2A. METHOD Model 5 is SCWRL sidechain replacement on an alignment to 2a72A. METHOD METHOD Model 5 is interesting mainly because the template has domain swapping. METHOD We have included it as a possibility just in case domain swapping METHOD occurs in the target. METHOD REMARK 6 REMARK 6 T0302 model 5 Mon Jun 5 19:35:33 2006 MODEL 5 PARENT 2a72_A ATOM 1 N SER 1 22.079 2.388 -10.668 1.00 0.00 ATOM 2 CA SER 1 22.333 1.544 -11.831 1.00 0.00 ATOM 3 CB SER 1 23.355 0.458 -11.493 1.00 0.00 ATOM 4 OG SER 1 22.816 -0.484 -10.584 1.00 0.00 ATOM 5 O SER 1 20.047 0.964 -11.445 1.00 0.00 ATOM 6 C SER 1 21.003 0.916 -12.219 1.00 0.00 ATOM 7 N MET 2 20.935 0.338 -13.415 1.00 0.00 ATOM 8 CA MET 2 19.738 -0.377 -13.816 1.00 0.00 ATOM 9 CB MET 2 19.831 -0.796 -15.285 1.00 0.00 ATOM 10 CG MET 2 19.856 0.368 -16.262 1.00 0.00 ATOM 11 SD MET 2 18.394 1.415 -16.135 1.00 0.00 ATOM 12 CE MET 2 17.130 0.307 -16.754 1.00 0.00 ATOM 13 O MET 2 20.649 -2.245 -12.636 1.00 0.00 ATOM 14 C MET 2 19.632 -1.612 -12.923 1.00 0.00 ATOM 15 N VAL 3 18.420 -1.934 -12.464 1.00 0.00 ATOM 16 CA VAL 3 18.168 -3.182 -11.738 1.00 0.00 ATOM 17 CB VAL 3 16.669 -3.371 -11.445 1.00 0.00 ATOM 18 CG1 VAL 3 16.414 -4.738 -10.829 1.00 0.00 ATOM 19 CG2 VAL 3 16.177 -2.309 -10.473 1.00 0.00 ATOM 20 O VAL 3 18.294 -4.445 -13.744 1.00 0.00 ATOM 21 C VAL 3 18.639 -4.362 -12.555 1.00 0.00 ATOM 22 N SER 4 19.406 -5.264 -11.947 1.00 0.00 ATOM 23 CA SER 4 19.840 -6.476 -12.651 1.00 0.00 ATOM 24 CB SER 4 20.781 -7.300 -11.770 1.00 0.00 ATOM 25 OG SER 4 20.090 -7.855 -10.664 1.00 0.00 ATOM 26 O SER 4 17.564 -7.219 -12.426 1.00 0.00 ATOM 27 C SER 4 18.633 -7.349 -13.016 1.00 0.00 ATOM 28 N PRO 5 18.821 -8.261 -13.967 1.00 0.00 ATOM 29 CA PRO 5 17.782 -9.230 -14.286 1.00 0.00 ATOM 30 CB PRO 5 18.415 -10.111 -15.364 1.00 0.00 ATOM 31 CG PRO 5 19.406 -9.223 -16.038 1.00 0.00 ATOM 32 CD PRO 5 20.013 -8.376 -14.955 1.00 0.00 ATOM 33 O PRO 5 16.181 -10.337 -12.837 1.00 0.00 ATOM 34 C PRO 5 17.370 -10.072 -13.048 1.00 0.00 ATOM 35 N GLU 6 18.344 -10.456 -12.227 1.00 0.00 ATOM 36 CA GLU 6 18.089 -11.196 -10.975 1.00 0.00 ATOM 37 CB GLU 6 19.400 -11.461 -10.232 1.00 0.00 ATOM 38 CG GLU 6 20.299 -12.485 -10.907 1.00 0.00 ATOM 39 CD GLU 6 21.638 -12.633 -10.214 1.00 0.00 ATOM 40 OE1 GLU 6 21.893 -11.880 -9.250 1.00 0.00 ATOM 41 OE2 GLU 6 22.433 -13.500 -10.634 1.00 0.00 ATOM 42 O GLU 6 16.289 -11.020 -9.377 1.00 0.00 ATOM 43 C GLU 6 17.170 -10.442 -10.006 1.00 0.00 ATOM 44 N GLU 7 17.395 -9.149 -9.883 1.00 0.00 ATOM 45 CA GLU 7 16.590 -8.306 -9.024 1.00 0.00 ATOM 46 CB GLU 7 17.157 -6.884 -8.986 1.00 0.00 ATOM 47 CG GLU 7 18.482 -6.764 -8.251 1.00 0.00 ATOM 48 CD GLU 7 19.081 -5.375 -8.356 1.00 0.00 ATOM 49 OE1 GLU 7 18.496 -4.527 -9.062 1.00 0.00 ATOM 50 OE2 GLU 7 20.137 -5.135 -7.733 1.00 0.00 ATOM 51 O GLU 7 14.179 -8.336 -8.722 1.00 0.00 ATOM 52 C GLU 7 15.135 -8.217 -9.509 1.00 0.00 ATOM 53 N ALA 8 14.973 -7.968 -10.809 1.00 0.00 ATOM 54 CA ALA 8 13.650 -7.866 -11.412 1.00 0.00 ATOM 55 CB ALA 8 13.765 -7.524 -12.889 1.00 0.00 ATOM 56 O ALA 8 11.687 -9.203 -10.935 1.00 0.00 ATOM 57 C ALA 8 12.872 -9.194 -11.288 1.00 0.00 ATOM 58 N VAL 9 13.555 -10.303 -11.559 1.00 0.00 ATOM 59 CA VAL 9 13.004 -11.627 -11.346 1.00 0.00 ATOM 60 CB VAL 9 14.053 -12.724 -11.607 1.00 0.00 ATOM 61 CG1 VAL 9 13.522 -14.081 -11.176 1.00 0.00 ATOM 62 CG2 VAL 9 14.399 -12.788 -13.086 1.00 0.00 ATOM 63 O VAL 9 11.402 -12.385 -9.718 1.00 0.00 ATOM 64 C VAL 9 12.500 -11.835 -9.928 1.00 0.00 ATOM 65 N LYS 10 13.272 -11.368 -8.953 1.00 0.00 ATOM 66 CA LYS 10 12.903 -11.551 -7.551 1.00 0.00 ATOM 67 CB LYS 10 13.915 -10.859 -6.635 1.00 0.00 ATOM 68 CG LYS 10 15.277 -11.531 -6.594 1.00 0.00 ATOM 69 CD LYS 10 16.228 -10.794 -5.666 1.00 0.00 ATOM 70 CE LYS 10 17.599 -11.452 -5.643 1.00 0.00 ATOM 71 NZ LYS 10 18.552 -10.721 -4.763 1.00 0.00 ATOM 72 O LYS 10 10.817 -11.529 -6.386 1.00 0.00 ATOM 73 C LYS 10 11.529 -10.980 -7.214 1.00 0.00 ATOM 74 N TRP 11 11.166 -9.876 -7.839 1.00 0.00 ATOM 75 CA TRP 11 9.845 -9.256 -7.578 1.00 0.00 ATOM 76 CB TRP 11 9.680 -7.979 -8.405 1.00 0.00 ATOM 77 CG TRP 11 9.671 -8.219 -9.883 1.00 0.00 ATOM 78 CD1 TRP 11 10.743 -8.178 -10.727 1.00 0.00 ATOM 79 CD2 TRP 11 8.534 -8.539 -10.694 1.00 0.00 ATOM 80 CE2 TRP 11 8.992 -8.677 -12.019 1.00 0.00 ATOM 81 CE3 TRP 11 7.173 -8.723 -10.430 1.00 0.00 ATOM 82 NE1 TRP 11 10.346 -8.451 -12.014 1.00 0.00 ATOM 83 CZ2 TRP 11 8.139 -8.989 -13.077 1.00 0.00 ATOM 84 CZ3 TRP 11 6.331 -9.032 -11.481 1.00 0.00 ATOM 85 CH2 TRP 11 6.813 -9.164 -12.788 1.00 0.00 ATOM 86 O TRP 11 7.554 -10.039 -7.481 1.00 0.00 ATOM 87 C TRP 11 8.682 -10.211 -7.943 1.00 0.00 ATOM 88 N GLY 12 8.980 -11.205 -8.777 1.00 0.00 ATOM 89 CA GLY 12 8.013 -12.254 -9.171 1.00 0.00 ATOM 90 O GLY 12 7.015 -14.290 -8.466 1.00 0.00 ATOM 91 C GLY 12 7.827 -13.404 -8.204 1.00 0.00 ATOM 92 N GLU 13 8.545 -13.405 -7.082 1.00 0.00 ATOM 93 CA GLU 13 8.395 -14.455 -6.076 1.00 0.00 ATOM 94 CB GLU 13 9.739 -14.749 -5.404 1.00 0.00 ATOM 95 CG GLU 13 10.796 -15.302 -6.345 1.00 0.00 ATOM 96 CD GLU 13 12.104 -15.600 -5.640 1.00 0.00 ATOM 97 OE1 GLU 13 12.185 -15.371 -4.415 1.00 0.00 ATOM 98 OE2 GLU 13 13.049 -16.063 -6.312 1.00 0.00 ATOM 99 O GLU 13 7.333 -14.769 -3.951 1.00 0.00 ATOM 100 C GLU 13 7.414 -14.093 -4.970 1.00 0.00 ATOM 101 N SER 14 6.609 -13.070 -5.197 1.00 0.00 ATOM 102 CA SER 14 5.613 -12.669 -4.214 1.00 0.00 ATOM 103 CB SER 14 5.976 -13.216 -2.832 1.00 0.00 ATOM 104 OG SER 14 7.174 -12.630 -2.351 1.00 0.00 ATOM 105 O SER 14 6.478 -10.442 -4.294 1.00 0.00 ATOM 106 C SER 14 5.502 -11.178 -4.098 1.00 0.00 ATOM 107 N PHE 15 4.289 -10.725 -3.796 1.00 0.00 ATOM 108 CA PHE 15 4.039 -9.317 -3.685 1.00 0.00 ATOM 109 CB PHE 15 2.580 -9.060 -3.310 1.00 0.00 ATOM 110 CG PHE 15 1.619 -9.234 -4.451 1.00 0.00 ATOM 111 CD1 PHE 15 0.844 -10.375 -4.556 1.00 0.00 ATOM 112 CD2 PHE 15 1.492 -8.256 -5.422 1.00 0.00 ATOM 113 CE1 PHE 15 -0.039 -10.536 -5.607 1.00 0.00 ATOM 114 CE2 PHE 15 0.609 -8.415 -6.475 1.00 0.00 ATOM 115 CZ PHE 15 -0.155 -9.549 -6.569 1.00 0.00 ATOM 116 O PHE 15 5.369 -7.567 -2.761 1.00 0.00 ATOM 117 C PHE 15 4.925 -8.697 -2.615 1.00 0.00 ATOM 118 N ASP 16 5.195 -9.441 -1.550 1.00 0.00 ATOM 119 CA ASP 16 6.041 -8.943 -0.479 1.00 0.00 ATOM 120 CB ASP 16 6.200 -9.999 0.616 1.00 0.00 ATOM 121 CG ASP 16 4.941 -10.176 1.441 1.00 0.00 ATOM 122 OD1 ASP 16 4.032 -9.326 1.327 1.00 0.00 ATOM 123 OD2 ASP 16 4.863 -11.163 2.203 1.00 0.00 ATOM 124 O ASP 16 8.003 -7.563 -0.564 1.00 0.00 ATOM 125 C ASP 16 7.443 -8.580 -0.987 1.00 0.00 ATOM 126 N LYS 17 7.955 -9.391 -1.917 1.00 0.00 ATOM 127 CA LYS 17 9.261 -9.169 -2.576 1.00 0.00 ATOM 128 CB LYS 17 9.585 -10.323 -3.527 1.00 0.00 ATOM 129 CG LYS 17 9.890 -11.637 -2.826 1.00 0.00 ATOM 130 CD LYS 17 11.181 -11.550 -2.029 1.00 0.00 ATOM 131 CE LYS 17 11.511 -12.878 -1.369 1.00 0.00 ATOM 132 NZ LYS 17 12.736 -12.790 -0.525 1.00 0.00 ATOM 133 O LYS 17 10.314 -7.189 -3.373 1.00 0.00 ATOM 134 C LYS 17 9.309 -7.909 -3.386 1.00 0.00 ATOM 135 N LEU 18 8.210 -7.640 -4.088 1.00 0.00 ATOM 136 CA LEU 18 8.110 -6.464 -4.913 1.00 0.00 ATOM 137 CB LEU 18 6.865 -6.535 -5.799 1.00 0.00 ATOM 138 CG LEU 18 6.643 -5.360 -6.754 1.00 0.00 ATOM 139 CD1 LEU 18 7.805 -5.234 -7.728 1.00 0.00 ATOM 140 CD2 LEU 18 5.367 -5.552 -7.559 1.00 0.00 ATOM 141 O LEU 18 8.597 -4.194 -4.338 1.00 0.00 ATOM 142 C LEU 18 8.018 -5.228 -4.020 1.00 0.00 ATOM 143 N LEU 19 7.312 -5.357 -2.903 1.00 0.00 ATOM 144 CA LEU 19 7.060 -4.221 -2.023 1.00 0.00 ATOM 145 CB LEU 19 5.926 -4.540 -1.047 1.00 0.00 ATOM 146 CG LEU 19 4.542 -4.760 -1.662 1.00 0.00 ATOM 147 CD1 LEU 19 3.538 -5.168 -0.595 1.00 0.00 ATOM 148 CD2 LEU 19 4.040 -3.487 -2.325 1.00 0.00 ATOM 149 O LEU 19 8.414 -2.636 -0.899 1.00 0.00 ATOM 150 C LEU 19 8.263 -3.812 -1.177 1.00 0.00 ATOM 151 N SER 20 9.090 -4.774 -0.758 1.00 0.00 ATOM 152 CA SER 20 10.240 -4.495 0.084 1.00 0.00 ATOM 153 CB SER 20 10.713 -5.769 0.784 1.00 0.00 ATOM 154 OG SER 20 11.223 -6.705 -0.151 1.00 0.00 ATOM 155 O SER 20 12.335 -3.371 -0.125 1.00 0.00 ATOM 156 C SER 20 11.421 -3.943 -0.712 1.00 0.00 ATOM 157 N HIS 21 11.435 -4.143 -2.034 1.00 0.00 ATOM 158 CA HIS 21 12.439 -3.512 -2.900 1.00 0.00 ATOM 159 CB HIS 21 12.683 -4.367 -4.146 1.00 0.00 ATOM 160 CG HIS 21 13.701 -3.792 -5.082 1.00 0.00 ATOM 161 CD2 HIS 21 14.738 -2.775 -4.990 1.00 0.00 ATOM 162 ND1 HIS 21 13.827 -4.208 -6.389 1.00 0.00 ATOM 163 CE1 HIS 21 14.819 -3.514 -6.976 1.00 0.00 ATOM 164 NE2 HIS 21 15.370 -2.652 -6.142 1.00 0.00 ATOM 165 O HIS 21 10.831 -2.044 -3.915 1.00 0.00 ATOM 166 C HIS 21 11.891 -2.136 -3.302 1.00 0.00 ATOM 167 N ARG 22 12.584 -1.048 -2.915 1.00 0.00 ATOM 168 CA ARG 22 12.013 0.291 -3.178 1.00 0.00 ATOM 169 CB ARG 22 12.884 1.379 -2.546 1.00 0.00 ATOM 170 CG ARG 22 12.824 1.417 -1.029 1.00 0.00 ATOM 171 CD ARG 22 13.772 2.463 -0.465 1.00 0.00 ATOM 172 NE ARG 22 13.734 2.506 0.995 1.00 0.00 ATOM 173 CZ ARG 22 14.555 3.237 1.742 1.00 0.00 ATOM 174 NH1 ARG 22 14.447 3.213 3.065 1.00 0.00 ATOM 175 NH2 ARG 22 15.484 3.988 1.167 1.00 0.00 ATOM 176 O ARG 22 11.076 1.429 -5.034 1.00 0.00 ATOM 177 C ARG 22 11.901 0.619 -4.672 1.00 0.00 ATOM 178 N ASP 23 12.731 -0.005 -5.515 1.00 0.00 ATOM 179 CA ASP 23 12.603 0.113 -6.976 1.00 0.00 ATOM 180 CB ASP 23 13.886 -0.355 -7.666 1.00 0.00 ATOM 181 CG ASP 23 15.034 0.620 -7.485 1.00 0.00 ATOM 182 OD1 ASP 23 14.776 1.769 -7.068 1.00 0.00 ATOM 183 OD2 ASP 23 16.189 0.234 -7.758 1.00 0.00 ATOM 184 O ASP 23 10.710 -0.330 -8.396 1.00 0.00 ATOM 185 C ASP 23 11.435 -0.750 -7.488 1.00 0.00 ATOM 186 N GLY 24 11.262 -1.945 -6.906 1.00 0.00 ATOM 187 CA GLY 24 10.100 -2.781 -7.171 1.00 0.00 ATOM 188 O GLY 24 7.795 -2.122 -7.564 1.00 0.00 ATOM 189 C GLY 24 8.788 -2.107 -6.792 1.00 0.00 ATOM 190 N LEU 25 8.771 -1.497 -5.610 1.00 0.00 ATOM 191 CA LEU 25 7.594 -0.727 -5.145 1.00 0.00 ATOM 192 CB LEU 25 7.856 -0.129 -3.762 1.00 0.00 ATOM 193 CG LEU 25 6.715 0.681 -3.146 1.00 0.00 ATOM 194 CD1 LEU 25 5.482 -0.188 -2.949 1.00 0.00 ATOM 195 CD2 LEU 25 7.122 1.242 -1.791 1.00 0.00 ATOM 196 O LEU 25 6.103 0.638 -6.470 1.00 0.00 ATOM 197 C LEU 25 7.264 0.425 -6.107 1.00 0.00 ATOM 198 N GLU 26 8.296 1.146 -6.524 1.00 0.00 ATOM 199 CA GLU 26 8.159 2.260 -7.472 1.00 0.00 ATOM 200 CB GLU 26 9.523 2.886 -7.764 1.00 0.00 ATOM 201 CG GLU 26 10.108 3.670 -6.600 1.00 0.00 ATOM 202 CD GLU 26 11.516 4.159 -6.876 1.00 0.00 ATOM 203 OE1 GLU 26 12.065 3.817 -7.945 1.00 0.00 ATOM 204 OE2 GLU 26 12.071 4.884 -6.024 1.00 0.00 ATOM 205 O GLU 26 6.645 2.453 -9.364 1.00 0.00 ATOM 206 C GLU 26 7.562 1.816 -8.808 1.00 0.00 ATOM 207 N ALA 27 8.104 0.728 -9.336 1.00 0.00 ATOM 208 CA ALA 27 7.637 0.201 -10.617 1.00 0.00 ATOM 209 CB ALA 27 8.508 -0.962 -11.062 1.00 0.00 ATOM 210 O ALA 27 5.428 -0.063 -11.461 1.00 0.00 ATOM 211 C ALA 27 6.194 -0.304 -10.548 1.00 0.00 ATOM 212 N PHE 28 5.850 -0.974 -9.449 1.00 0.00 ATOM 213 CA PHE 28 4.521 -1.537 -9.196 1.00 0.00 ATOM 214 CB PHE 28 4.496 -2.270 -7.853 1.00 0.00 ATOM 215 CG PHE 28 3.154 -2.843 -7.500 1.00 0.00 ATOM 216 CD1 PHE 28 2.723 -4.034 -8.062 1.00 0.00 ATOM 217 CD2 PHE 28 2.320 -2.194 -6.606 1.00 0.00 ATOM 218 CE1 PHE 28 1.488 -4.560 -7.737 1.00 0.00 ATOM 219 CE2 PHE 28 1.085 -2.721 -6.282 1.00 0.00 ATOM 220 CZ PHE 28 0.668 -3.900 -6.842 1.00 0.00 ATOM 221 O PHE 28 2.503 -0.393 -9.852 1.00 0.00 ATOM 222 C PHE 28 3.517 -0.364 -9.176 1.00 0.00 ATOM 223 N THR 29 3.827 0.675 -8.407 1.00 0.00 ATOM 224 CA THR 29 2.993 1.853 -8.330 1.00 0.00 ATOM 225 CB THR 29 3.563 2.884 -7.339 1.00 0.00 ATOM 226 CG2 THR 29 2.691 4.130 -7.305 1.00 0.00 ATOM 227 OG1 THR 29 3.609 2.313 -6.024 1.00 0.00 ATOM 228 O THR 29 1.777 2.944 -10.058 1.00 0.00 ATOM 229 C THR 29 2.872 2.543 -9.681 1.00 0.00 ATOM 230 N ARG 30 3.989 2.700 -10.397 1.00 0.00 ATOM 231 CA ARG 30 3.993 3.377 -11.709 1.00 0.00 ATOM 232 CB ARG 30 5.400 3.371 -12.310 1.00 0.00 ATOM 233 CG ARG 30 6.384 4.283 -11.596 1.00 0.00 ATOM 234 CD ARG 30 7.770 4.192 -12.216 1.00 0.00 ATOM 235 NE ARG 30 8.741 5.025 -11.508 1.00 0.00 ATOM 236 CZ ARG 30 10.033 5.085 -11.811 1.00 0.00 ATOM 237 NH1 ARG 30 10.841 5.871 -11.113 1.00 0.00 ATOM 238 NH2 ARG 30 10.515 4.359 -12.810 1.00 0.00 ATOM 239 O ARG 30 2.216 3.280 -13.339 1.00 0.00 ATOM 240 C ARG 30 3.045 2.649 -12.655 1.00 0.00 ATOM 241 N PHE 31 3.150 1.316 -12.652 1.00 0.00 ATOM 242 CA PHE 31 2.282 0.474 -13.469 1.00 0.00 ATOM 243 CB PHE 31 2.575 -1.005 -13.211 1.00 0.00 ATOM 244 CG PHE 31 1.692 -1.942 -13.987 1.00 0.00 ATOM 245 CD1 PHE 31 1.946 -2.209 -15.322 1.00 0.00 ATOM 246 CD2 PHE 31 0.608 -2.555 -13.384 1.00 0.00 ATOM 247 CE1 PHE 31 1.135 -3.071 -16.036 1.00 0.00 ATOM 248 CE2 PHE 31 -0.204 -3.415 -14.099 1.00 0.00 ATOM 249 CZ PHE 31 0.056 -3.675 -15.419 1.00 0.00 ATOM 250 O PHE 31 0.005 0.883 -14.078 1.00 0.00 ATOM 251 C PHE 31 0.809 0.714 -13.167 1.00 0.00 ATOM 252 N LEU 32 0.458 0.726 -11.889 1.00 0.00 ATOM 253 CA LEU 32 -0.947 0.857 -11.479 1.00 0.00 ATOM 254 CB LEU 32 -1.084 0.664 -9.966 1.00 0.00 ATOM 255 CG LEU 32 -0.802 -0.743 -9.435 1.00 0.00 ATOM 256 CD1 LEU 32 -0.823 -0.756 -7.914 1.00 0.00 ATOM 257 CD2 LEU 32 -1.850 -1.725 -9.933 1.00 0.00 ATOM 258 O LEU 32 -2.710 2.351 -12.156 1.00 0.00 ATOM 259 C LEU 32 -1.520 2.227 -11.822 1.00 0.00 ATOM 260 N LYS 33 -0.673 3.248 -11.732 1.00 0.00 ATOM 261 CA LYS 33 -1.042 4.608 -12.114 1.00 0.00 ATOM 262 CB LYS 33 0.070 5.591 -11.742 1.00 0.00 ATOM 263 CG LYS 33 -0.257 7.043 -12.048 1.00 0.00 ATOM 264 CD LYS 33 0.849 7.971 -11.569 1.00 0.00 ATOM 265 CE LYS 33 0.534 9.421 -11.896 1.00 0.00 ATOM 266 NZ LYS 33 1.619 10.338 -11.452 1.00 0.00 ATOM 267 O LYS 33 -2.174 5.460 -14.012 1.00 0.00 ATOM 268 C LYS 33 -1.282 4.726 -13.600 1.00 0.00 ATOM 269 N THR 34 -0.514 3.994 -14.403 1.00 0.00 ATOM 270 CA THR 34 -0.696 4.026 -15.867 1.00 0.00 ATOM 271 CB THR 34 0.377 3.190 -16.588 1.00 0.00 ATOM 272 CG2 THR 34 0.144 3.206 -18.091 1.00 0.00 ATOM 273 OG1 THR 34 1.675 3.732 -16.314 1.00 0.00 ATOM 274 O THR 34 -2.576 3.848 -17.346 1.00 0.00 ATOM 275 C THR 34 -2.060 3.470 -16.301 1.00 0.00 ATOM 276 N GLU 35 -2.635 2.589 -15.478 1.00 0.00 ATOM 277 CA GLU 35 -3.935 1.978 -15.742 1.00 0.00 ATOM 278 CB GLU 35 -3.863 0.461 -15.549 1.00 0.00 ATOM 279 CG GLU 35 -2.893 -0.239 -16.487 1.00 0.00 ATOM 280 CD GLU 35 -2.865 -1.740 -16.281 1.00 0.00 ATOM 281 OE1 GLU 35 -3.642 -2.239 -15.441 1.00 0.00 ATOM 282 OE2 GLU 35 -2.066 -2.417 -16.962 1.00 0.00 ATOM 283 O GLU 35 -6.072 1.882 -14.700 1.00 0.00 ATOM 284 C GLU 35 -5.025 2.506 -14.813 1.00 0.00 ATOM 285 N PHE 36 -4.773 3.630 -14.142 1.00 0.00 ATOM 286 CA PHE 36 -5.749 4.275 -13.251 1.00 0.00 ATOM 287 CB PHE 36 -6.971 4.742 -14.044 1.00 0.00 ATOM 288 CG PHE 36 -6.647 5.724 -15.135 1.00 0.00 ATOM 289 CD1 PHE 36 -6.565 5.312 -16.453 1.00 0.00 ATOM 290 CD2 PHE 36 -6.424 7.058 -14.840 1.00 0.00 ATOM 291 CE1 PHE 36 -6.266 6.216 -17.456 1.00 0.00 ATOM 292 CE2 PHE 36 -6.125 7.961 -15.844 1.00 0.00 ATOM 293 CZ PHE 36 -6.046 7.544 -17.147 1.00 0.00 ATOM 294 O PHE 36 -7.433 3.511 -11.721 1.00 0.00 ATOM 295 C PHE 36 -6.276 3.378 -12.141 1.00 0.00 ATOM 296 N SER 37 -5.432 2.488 -11.619 1.00 0.00 ATOM 297 CA SER 37 -5.908 1.561 -10.592 1.00 0.00 ATOM 298 CB SER 37 -5.970 0.136 -11.143 1.00 0.00 ATOM 299 OG SER 37 -4.729 -0.247 -11.709 1.00 0.00 ATOM 300 O SER 37 -4.893 0.448 -8.718 1.00 0.00 ATOM 301 C SER 37 -5.030 1.506 -9.346 1.00 0.00 ATOM 302 N GLU 38 -4.505 2.659 -8.941 1.00 0.00 ATOM 303 CA GLU 38 -3.498 2.713 -7.891 1.00 0.00 ATOM 304 CB GLU 38 -2.468 3.804 -8.191 1.00 0.00 ATOM 305 CG GLU 38 -3.024 5.215 -8.129 1.00 0.00 ATOM 306 CD GLU 38 -2.017 6.260 -8.573 1.00 0.00 ATOM 307 OE1 GLU 38 -0.914 5.871 -9.012 1.00 0.00 ATOM 308 OE2 GLU 38 -2.331 7.465 -8.481 1.00 0.00 ATOM 309 O GLU 38 -3.242 3.003 -5.529 1.00 0.00 ATOM 310 C GLU 38 -4.021 3.013 -6.485 1.00 0.00 ATOM 311 N GLU 39 -5.317 3.283 -6.348 1.00 0.00 ATOM 312 CA GLU 39 -5.860 3.694 -5.056 1.00 0.00 ATOM 313 CB GLU 39 -7.370 3.914 -5.153 1.00 0.00 ATOM 314 CG GLU 39 -7.770 5.097 -6.021 1.00 0.00 ATOM 315 CD GLU 39 -7.761 4.764 -7.499 1.00 0.00 ATOM 316 OE1 GLU 39 -7.461 3.602 -7.846 1.00 0.00 ATOM 317 OE2 GLU 39 -8.056 5.665 -8.313 1.00 0.00 ATOM 318 O GLU 39 -5.267 3.012 -2.821 1.00 0.00 ATOM 319 C GLU 39 -5.623 2.648 -3.940 1.00 0.00 ATOM 320 N ASN 40 -5.772 1.367 -4.272 1.00 0.00 ATOM 321 CA ASN 40 -5.600 0.283 -3.312 1.00 0.00 ATOM 322 CB ASN 40 -5.866 -1.069 -3.977 1.00 0.00 ATOM 323 CG ASN 40 -7.338 -1.301 -4.256 1.00 0.00 ATOM 324 ND2 ASN 40 -7.629 -2.227 -5.162 1.00 0.00 ATOM 325 OD1 ASN 40 -8.202 -0.657 -3.661 1.00 0.00 ATOM 326 O ASN 40 -4.008 0.163 -1.501 1.00 0.00 ATOM 327 C ASN 40 -4.173 0.239 -2.728 1.00 0.00 ATOM 328 N ILE 41 -3.148 0.309 -3.587 1.00 0.00 ATOM 329 CA ILE 41 -1.739 0.364 -3.119 1.00 0.00 ATOM 330 CB ILE 41 -0.749 0.239 -4.292 1.00 0.00 ATOM 331 CG1 ILE 41 -0.825 -1.160 -4.907 1.00 0.00 ATOM 332 CG2 ILE 41 0.675 0.478 -3.816 1.00 0.00 ATOM 333 CD1 ILE 41 -0.086 -1.291 -6.220 1.00 0.00 ATOM 334 O ILE 41 -0.756 1.684 -1.386 1.00 0.00 ATOM 335 C ILE 41 -1.442 1.681 -2.409 1.00 0.00 ATOM 336 N GLU 42 -1.986 2.797 -2.910 1.00 0.00 ATOM 337 CA GLU 42 -1.745 4.101 -2.275 1.00 0.00 ATOM 338 CB GLU 42 -2.413 5.220 -3.078 1.00 0.00 ATOM 339 CG GLU 42 -1.748 5.506 -4.416 1.00 0.00 ATOM 340 CD GLU 42 -2.508 6.531 -5.235 1.00 0.00 ATOM 341 OE1 GLU 42 -3.591 6.963 -4.789 1.00 0.00 ATOM 342 OE2 GLU 42 -2.018 6.902 -6.323 1.00 0.00 ATOM 343 O GLU 42 -1.685 4.654 0.059 1.00 0.00 ATOM 344 C GLU 42 -2.311 4.129 -0.850 1.00 0.00 ATOM 345 N PHE 43 -3.478 3.528 -0.660 1.00 0.00 ATOM 346 CA PHE 43 -4.088 3.379 0.678 1.00 0.00 ATOM 347 CB PHE 43 -5.464 2.718 0.568 1.00 0.00 ATOM 348 CG PHE 43 -6.135 2.494 1.893 1.00 0.00 ATOM 349 CD1 PHE 43 -6.778 3.533 2.546 1.00 0.00 ATOM 350 CD2 PHE 43 -6.125 1.245 2.489 1.00 0.00 ATOM 351 CE1 PHE 43 -7.396 3.327 3.764 1.00 0.00 ATOM 352 CE2 PHE 43 -6.742 1.038 3.707 1.00 0.00 ATOM 353 CZ PHE 43 -7.374 2.072 4.346 1.00 0.00 ATOM 354 O PHE 43 -2.931 2.874 2.704 1.00 0.00 ATOM 355 C PHE 43 -3.204 2.518 1.554 1.00 0.00 ATOM 356 N TRP 44 -2.800 1.367 1.014 1.00 0.00 ATOM 357 CA TRP 44 -1.928 0.441 1.732 1.00 0.00 ATOM 358 CB TRP 44 -1.536 -0.732 0.831 1.00 0.00 ATOM 359 CG TRP 44 -0.603 -1.706 1.485 1.00 0.00 ATOM 360 CD1 TRP 44 0.731 -1.853 1.240 1.00 0.00 ATOM 361 CD2 TRP 44 -0.936 -2.666 2.495 1.00 0.00 ATOM 362 CE2 TRP 44 0.246 -3.363 2.814 1.00 0.00 ATOM 363 CE3 TRP 44 -2.118 -3.007 3.159 1.00 0.00 ATOM 364 NE1 TRP 44 1.252 -2.847 2.033 1.00 0.00 ATOM 365 CZ2 TRP 44 0.282 -4.379 3.768 1.00 0.00 ATOM 366 CZ3 TRP 44 -2.079 -4.014 4.105 1.00 0.00 ATOM 367 CH2 TRP 44 -0.890 -4.690 4.402 1.00 0.00 ATOM 368 O TRP 44 -0.200 0.959 3.363 1.00 0.00 ATOM 369 C TRP 44 -0.631 1.126 2.203 1.00 0.00 ATOM 370 N ILE 45 -0.022 1.900 1.309 1.00 0.00 ATOM 371 CA ILE 45 1.203 2.630 1.634 1.00 0.00 ATOM 372 CB ILE 45 1.807 3.301 0.386 1.00 0.00 ATOM 373 CG1 ILE 45 2.317 2.244 -0.594 1.00 0.00 ATOM 374 CG2 ILE 45 2.971 4.199 0.775 1.00 0.00 ATOM 375 CD1 ILE 45 2.685 2.798 -1.953 1.00 0.00 ATOM 376 O ILE 45 1.780 3.959 3.540 1.00 0.00 ATOM 377 C ILE 45 0.953 3.733 2.666 1.00 0.00 ATOM 378 N ALA 46 -0.180 4.421 2.576 1.00 0.00 ATOM 379 CA ALA 46 -0.528 5.460 3.562 1.00 0.00 ATOM 380 CB ALA 46 -1.849 6.120 3.193 1.00 0.00 ATOM 381 O ALA 46 -0.254 5.436 5.972 1.00 0.00 ATOM 382 C ALA 46 -0.670 4.848 4.989 1.00 0.00 ATOM 383 N CYS 47 -1.229 3.648 5.079 1.00 0.00 ATOM 384 CA CYS 47 -1.394 2.984 6.378 1.00 0.00 ATOM 385 CB CYS 47 -2.334 1.782 6.251 1.00 0.00 ATOM 386 SG CYS 47 -4.061 2.216 5.945 1.00 0.00 ATOM 387 O CYS 47 0.197 2.524 8.137 1.00 0.00 ATOM 388 C CYS 47 -0.054 2.476 6.927 1.00 0.00 ATOM 389 N GLU 48 0.821 2.030 6.034 1.00 0.00 ATOM 390 CA GLU 48 2.158 1.672 6.430 1.00 0.00 ATOM 391 CB GLU 48 2.959 1.178 5.224 1.00 0.00 ATOM 392 CG GLU 48 2.521 -0.180 4.701 1.00 0.00 ATOM 393 CD GLU 48 3.251 -0.581 3.435 1.00 0.00 ATOM 394 OE1 GLU 48 4.048 0.235 2.924 1.00 0.00 ATOM 395 OE2 GLU 48 3.028 -1.711 2.952 1.00 0.00 ATOM 396 O GLU 48 3.527 2.757 8.064 1.00 0.00 ATOM 397 C GLU 48 2.879 2.881 7.029 1.00 0.00 ATOM 398 N ASP 49 2.737 4.032 6.378 1.00 0.00 ATOM 399 CA ASP 49 3.267 5.305 6.866 1.00 0.00 ATOM 400 CB ASP 49 2.928 6.435 5.892 1.00 0.00 ATOM 401 CG ASP 49 3.746 6.371 4.618 1.00 0.00 ATOM 402 OD1 ASP 49 4.731 5.604 4.582 1.00 0.00 ATOM 403 OD2 ASP 49 3.401 7.086 3.654 1.00 0.00 ATOM 404 O ASP 49 3.453 6.176 9.097 1.00 0.00 ATOM 405 C ASP 49 2.710 5.721 8.240 1.00 0.00 ATOM 406 N PHE 50 1.400 5.588 8.421 1.00 0.00 ATOM 407 CA PHE 50 0.738 5.842 9.699 1.00 0.00 ATOM 408 CB PHE 50 -0.727 5.404 9.641 1.00 0.00 ATOM 409 CG PHE 50 -1.471 5.600 10.931 1.00 0.00 ATOM 410 CD1 PHE 50 -1.980 6.841 11.271 1.00 0.00 ATOM 411 CD2 PHE 50 -1.660 4.544 11.805 1.00 0.00 ATOM 412 CE1 PHE 50 -2.665 7.022 12.458 1.00 0.00 ATOM 413 CE2 PHE 50 -2.343 4.725 12.992 1.00 0.00 ATOM 414 CZ PHE 50 -2.845 5.956 13.321 1.00 0.00 ATOM 415 O PHE 50 1.629 5.666 11.929 1.00 0.00 ATOM 416 C PHE 50 1.391 5.091 10.861 1.00 0.00 ATOM 417 N LYS 51 1.709 3.813 10.635 1.00 0.00 ATOM 418 CA LYS 51 2.305 2.965 11.676 1.00 0.00 ATOM 419 CB LYS 51 2.450 1.525 11.178 1.00 0.00 ATOM 420 CG LYS 51 1.129 0.800 10.982 1.00 0.00 ATOM 421 CD LYS 51 1.345 -0.610 10.460 1.00 0.00 ATOM 422 CE LYS 51 0.026 -1.349 10.300 1.00 0.00 ATOM 423 NZ LYS 51 0.221 -2.723 9.761 1.00 0.00 ATOM 424 O LYS 51 4.189 3.024 13.164 1.00 0.00 ATOM 425 C LYS 51 3.701 3.436 12.108 1.00 0.00 ATOM 429 N GLY 55 4.784 9.705 14.664 1.00 0.00 ATOM 430 CA GLY 55 4.731 9.895 16.101 1.00 0.00 ATOM 431 O GLY 55 2.359 10.237 15.880 1.00 0.00 ATOM 432 C GLY 55 3.274 9.836 16.603 1.00 0.00 ATOM 433 N PRO 56 3.060 9.337 17.819 1.00 0.00 ATOM 434 CA PRO 56 1.689 9.121 18.300 1.00 0.00 ATOM 435 CB PRO 56 1.876 8.557 19.710 1.00 0.00 ATOM 436 CG PRO 56 3.202 7.871 19.665 1.00 0.00 ATOM 437 CD PRO 56 4.086 8.731 18.805 1.00 0.00 ATOM 438 O PRO 56 -0.333 10.371 17.952 1.00 0.00 ATOM 439 C PRO 56 0.831 10.410 18.350 1.00 0.00 ATOM 440 N GLN 57 1.393 11.540 18.793 1.00 0.00 ATOM 441 CA GLN 57 0.650 12.821 18.811 1.00 0.00 ATOM 442 CB GLN 57 1.551 13.957 19.299 1.00 0.00 ATOM 443 CG GLN 57 1.893 13.884 20.779 1.00 0.00 ATOM 444 CD GLN 57 2.847 14.981 21.210 1.00 0.00 ATOM 445 OE1 GLN 57 3.297 15.784 20.392 1.00 0.00 ATOM 446 NE2 GLN 57 3.162 15.016 22.500 1.00 0.00 ATOM 447 O GLN 57 -0.883 13.930 17.310 1.00 0.00 ATOM 448 C GLN 57 0.122 13.225 17.426 1.00 0.00 ATOM 449 N GLN 58 0.815 12.779 16.390 1.00 0.00 ATOM 450 CA GLN 58 0.434 13.034 15.003 1.00 0.00 ATOM 451 CB GLN 58 1.651 12.914 14.083 1.00 0.00 ATOM 452 CG GLN 58 2.719 13.968 14.325 1.00 0.00 ATOM 453 CD GLN 58 3.921 13.799 13.419 1.00 0.00 ATOM 454 OE1 GLN 58 3.955 12.900 12.579 1.00 0.00 ATOM 455 NE2 GLN 58 4.916 14.663 13.588 1.00 0.00 ATOM 456 O GLN 58 -1.242 12.278 13.454 1.00 0.00 ATOM 457 C GLN 58 -0.628 12.045 14.490 1.00 0.00 ATOM 458 N ILE 59 -0.843 10.937 15.204 1.00 0.00 ATOM 459 CA ILE 59 -1.749 9.884 14.723 1.00 0.00 ATOM 460 CB ILE 59 -1.817 8.705 15.709 1.00 0.00 ATOM 461 CG1 ILE 59 -0.476 7.969 15.754 1.00 0.00 ATOM 462 CG2 ILE 59 -2.894 7.717 15.285 1.00 0.00 ATOM 463 CD1 ILE 59 -0.364 6.971 16.886 1.00 0.00 ATOM 464 O ILE 59 -3.804 9.988 13.488 1.00 0.00 ATOM 465 C ILE 59 -3.219 10.318 14.508 1.00 0.00 ATOM 466 N HIS 60 -3.820 11.059 15.456 1.00 0.00 ATOM 467 CA HIS 60 -5.187 11.509 15.215 1.00 0.00 ATOM 468 CB HIS 60 -5.669 12.397 16.363 1.00 0.00 ATOM 469 CG HIS 60 -7.046 12.948 16.164 1.00 0.00 ATOM 470 CD2 HIS 60 -7.606 14.248 15.821 1.00 0.00 ATOM 471 ND1 HIS 60 -8.183 12.178 16.297 1.00 0.00 ATOM 472 CE1 HIS 60 -9.261 12.946 16.059 1.00 0.00 ATOM 473 NE2 HIS 60 -8.923 14.187 15.773 1.00 0.00 ATOM 474 O HIS 60 -6.255 12.016 13.120 1.00 0.00 ATOM 475 C HIS 60 -5.372 12.330 13.929 1.00 0.00 ATOM 476 N LEU 61 -4.542 13.355 13.722 1.00 0.00 ATOM 477 CA LEU 61 -4.634 14.142 12.504 1.00 0.00 ATOM 478 CB LEU 61 -3.644 15.308 12.545 1.00 0.00 ATOM 479 CG LEU 61 -3.953 16.425 13.544 1.00 0.00 ATOM 480 CD1 LEU 61 -2.806 17.421 13.610 1.00 0.00 ATOM 481 CD2 LEU 61 -5.213 17.176 13.141 1.00 0.00 ATOM 482 O LEU 61 -4.998 13.403 10.246 1.00 0.00 ATOM 483 C LEU 61 -4.314 13.287 11.270 1.00 0.00 ATOM 484 N LYS 62 -3.315 12.404 11.361 1.00 0.00 ATOM 485 CA LYS 62 -2.979 11.532 10.221 1.00 0.00 ATOM 486 CB LYS 62 -1.719 10.716 10.524 1.00 0.00 ATOM 487 CG LYS 62 -1.264 9.830 9.377 1.00 0.00 ATOM 488 CD LYS 62 -0.803 10.658 8.188 1.00 0.00 ATOM 489 CE LYS 62 -0.238 9.776 7.087 1.00 0.00 ATOM 490 NZ LYS 62 0.209 10.575 5.912 1.00 0.00 ATOM 491 O LYS 62 -4.403 10.327 8.735 1.00 0.00 ATOM 492 C LYS 62 -4.098 10.544 9.897 1.00 0.00 ATOM 493 N ALA 63 -4.688 9.937 10.930 1.00 0.00 ATOM 494 CA ALA 63 -5.862 9.086 10.756 1.00 0.00 ATOM 495 CB ALA 63 -6.434 8.690 12.108 1.00 0.00 ATOM 496 O ALA 63 -7.518 9.287 9.016 1.00 0.00 ATOM 497 C ALA 63 -6.945 9.830 9.966 1.00 0.00 ATOM 498 N LYS 64 -7.224 11.068 10.377 1.00 0.00 ATOM 499 CA LYS 64 -8.234 11.879 9.720 1.00 0.00 ATOM 500 CB LYS 64 -8.421 13.205 10.459 1.00 0.00 ATOM 501 CG LYS 64 -9.496 14.101 9.864 1.00 0.00 ATOM 502 CD LYS 64 -9.684 15.362 10.691 1.00 0.00 ATOM 503 CE LYS 64 -10.736 16.272 10.081 1.00 0.00 ATOM 504 NZ LYS 64 -10.920 17.520 10.873 1.00 0.00 ATOM 505 O LYS 64 -8.713 12.214 7.402 1.00 0.00 ATOM 506 C LYS 64 -7.848 12.200 8.275 1.00 0.00 ATOM 507 N ALA 65 -6.561 12.441 8.025 1.00 0.00 ATOM 508 CA ALA 65 -6.086 12.706 6.657 1.00 0.00 ATOM 509 CB ALA 65 -4.612 13.085 6.672 1.00 0.00 ATOM 510 O ALA 65 -6.637 11.621 4.603 1.00 0.00 ATOM 511 C ALA 65 -6.245 11.482 5.750 1.00 0.00 ATOM 512 N ILE 66 -5.961 10.284 6.268 1.00 0.00 ATOM 513 CA ILE 66 -6.164 9.064 5.486 1.00 0.00 ATOM 514 CB ILE 66 -5.633 7.824 6.227 1.00 0.00 ATOM 515 CG1 ILE 66 -4.107 7.880 6.337 1.00 0.00 ATOM 516 CG2 ILE 66 -6.015 6.553 5.484 1.00 0.00 ATOM 517 CD1 ILE 66 -3.524 6.845 7.273 1.00 0.00 ATOM 518 O ILE 66 -8.009 8.386 4.091 1.00 0.00 ATOM 519 C ILE 66 -7.652 8.816 5.194 1.00 0.00 ATOM 520 N TYR 67 -8.507 9.079 6.183 1.00 0.00 ATOM 521 CA TYR 67 -9.959 8.944 6.019 1.00 0.00 ATOM 522 CB TYR 67 -10.681 9.307 7.317 1.00 0.00 ATOM 523 CG TYR 67 -12.189 9.234 7.221 1.00 0.00 ATOM 524 CD1 TYR 67 -12.847 8.014 7.302 1.00 0.00 ATOM 525 CD2 TYR 67 -12.947 10.384 7.048 1.00 0.00 ATOM 526 CE1 TYR 67 -14.225 7.936 7.216 1.00 0.00 ATOM 527 CE2 TYR 67 -14.324 10.326 6.959 1.00 0.00 ATOM 528 CZ TYR 67 -14.961 9.090 7.044 1.00 0.00 ATOM 529 OH TYR 67 -16.332 9.015 6.957 1.00 0.00 ATOM 530 O TYR 67 -11.159 9.426 3.986 1.00 0.00 ATOM 531 C TYR 67 -10.469 9.869 4.909 1.00 0.00 ATOM 532 N GLU 68 -10.093 11.145 5.002 1.00 0.00 ATOM 533 CA GLU 68 -10.391 12.142 3.966 1.00 0.00 ATOM 534 CB GLU 68 -9.689 13.466 4.277 1.00 0.00 ATOM 535 CG GLU 68 -9.989 14.576 3.283 1.00 0.00 ATOM 536 CD GLU 68 -9.328 15.887 3.658 1.00 0.00 ATOM 537 OE1 GLU 68 -8.653 15.934 4.708 1.00 0.00 ATOM 538 OE2 GLU 68 -9.484 16.869 2.902 1.00 0.00 ATOM 539 O GLU 68 -10.735 11.966 1.588 1.00 0.00 ATOM 540 C GLU 68 -9.960 11.775 2.527 1.00 0.00 ATOM 541 N LYS 69 -8.752 11.240 2.359 1.00 0.00 ATOM 542 CA LYS 69 -8.206 10.907 1.022 1.00 0.00 ATOM 543 CB LYS 69 -6.691 10.710 1.094 1.00 0.00 ATOM 544 CG LYS 69 -5.918 11.965 1.465 1.00 0.00 ATOM 545 CD LYS 69 -4.417 11.729 1.400 1.00 0.00 ATOM 546 CE LYS 69 -3.645 12.983 1.778 1.00 0.00 ATOM 547 NZ LYS 69 -2.173 12.759 1.743 1.00 0.00 ATOM 548 O LYS 69 -8.908 9.536 -0.846 1.00 0.00 ATOM 549 C LYS 69 -8.779 9.607 0.377 1.00 0.00 ATOM 553 N THR 73 -16.801 10.619 2.453 1.00 0.00 ATOM 554 CA THR 73 -17.603 10.972 1.295 1.00 0.00 ATOM 555 CB THR 73 -18.824 11.822 1.691 1.00 0.00 ATOM 556 CG2 THR 73 -19.670 12.143 0.468 1.00 0.00 ATOM 557 OG1 THR 73 -19.627 11.103 2.635 1.00 0.00 ATOM 558 O THR 73 -15.939 12.634 0.710 1.00 0.00 ATOM 559 C THR 73 -16.715 11.778 0.328 1.00 0.00 ATOM 560 N ASP 74 -16.898 11.501 -0.972 1.00 0.00 ATOM 561 CA ASP 74 -16.272 12.301 -2.022 1.00 0.00 ATOM 562 CB ASP 74 -16.684 13.769 -1.894 1.00 0.00 ATOM 563 CG ASP 74 -18.169 13.980 -2.114 1.00 0.00 ATOM 564 OD1 ASP 74 -18.695 13.480 -3.132 1.00 0.00 ATOM 565 OD2 ASP 74 -18.806 14.645 -1.272 1.00 0.00 ATOM 566 O ASP 74 -14.112 13.182 -2.523 1.00 0.00 ATOM 567 C ASP 74 -14.751 12.273 -1.998 1.00 0.00 ATOM 568 N ALA 75 -14.173 11.236 -1.384 1.00 0.00 ATOM 569 CA ALA 75 -12.724 11.121 -1.294 1.00 0.00 ATOM 570 CB ALA 75 -12.339 9.874 -0.512 1.00 0.00 ATOM 571 O ALA 75 -12.558 10.254 -3.538 1.00 0.00 ATOM 572 C ALA 75 -12.097 11.028 -2.698 1.00 0.00 ATOM 573 N PRO 76 -11.054 11.828 -2.953 1.00 0.00 ATOM 574 CA PRO 76 -10.472 11.851 -4.289 1.00 0.00 ATOM 575 CB PRO 76 -9.395 12.934 -4.205 1.00 0.00 ATOM 576 CG PRO 76 -9.866 13.846 -3.121 1.00 0.00 ATOM 577 CD PRO 76 -10.509 12.966 -2.087 1.00 0.00 ATOM 578 O PRO 76 -9.846 10.196 -5.895 1.00 0.00 ATOM 579 C PRO 76 -9.851 10.516 -4.711 1.00 0.00 ATOM 580 N LYS 77 -9.348 9.743 -3.748 1.00 0.00 ATOM 581 CA LYS 77 -8.732 8.445 -4.030 1.00 0.00 ATOM 582 CB LYS 77 -7.317 8.386 -3.453 1.00 0.00 ATOM 583 CG LYS 77 -6.336 9.340 -4.116 1.00 0.00 ATOM 584 CD LYS 77 -4.935 9.171 -3.553 1.00 0.00 ATOM 585 CE LYS 77 -3.963 10.153 -4.187 1.00 0.00 ATOM 586 NZ LYS 77 -2.591 10.017 -3.626 1.00 0.00 ATOM 587 O LYS 77 -9.045 6.442 -2.722 1.00 0.00 ATOM 588 C LYS 77 -9.562 7.330 -3.404 1.00 0.00 ATOM 589 N GLU 78 -10.869 7.390 -3.646 1.00 0.00 ATOM 590 CA GLU 78 -11.810 6.481 -3.002 1.00 0.00 ATOM 591 CB GLU 78 -13.231 6.736 -3.508 1.00 0.00 ATOM 592 CG GLU 78 -14.294 5.893 -2.821 1.00 0.00 ATOM 593 CD GLU 78 -15.694 6.210 -3.309 1.00 0.00 ATOM 594 OE1 GLU 78 -15.836 7.109 -4.164 1.00 0.00 ATOM 595 OE2 GLU 78 -16.649 5.559 -2.837 1.00 0.00 ATOM 596 O GLU 78 -11.172 4.655 -4.423 1.00 0.00 ATOM 597 C GLU 78 -11.470 5.017 -3.285 1.00 0.00 ATOM 598 N VAL 79 -11.488 4.199 -2.222 1.00 0.00 ATOM 599 CA VAL 79 -11.308 2.743 -2.316 1.00 0.00 ATOM 600 CB VAL 79 -10.200 2.249 -1.367 1.00 0.00 ATOM 601 CG1 VAL 79 -8.867 2.887 -1.727 1.00 0.00 ATOM 602 CG2 VAL 79 -10.532 2.610 0.073 1.00 0.00 ATOM 603 O VAL 79 -13.511 2.614 -1.345 1.00 0.00 ATOM 604 C VAL 79 -12.608 2.026 -1.942 1.00 0.00 ATOM 605 N ASN 80 -12.681 0.748 -2.292 1.00 0.00 ATOM 606 CA ASN 80 -13.809 -0.096 -1.953 1.00 0.00 ATOM 607 CB ASN 80 -14.244 -0.921 -3.165 1.00 0.00 ATOM 608 CG ASN 80 -14.730 -0.060 -4.314 1.00 0.00 ATOM 609 ND2 ASN 80 -14.013 -0.104 -5.431 1.00 0.00 ATOM 610 OD1 ASN 80 -15.739 0.637 -4.197 1.00 0.00 ATOM 611 O ASN 80 -12.357 -1.663 -0.922 1.00 0.00 ATOM 612 C ASN 80 -13.405 -1.031 -0.832 1.00 0.00 ATOM 613 N LEU 81 -14.214 -1.098 0.227 1.00 0.00 ATOM 614 CA LEU 81 -14.028 -2.100 1.280 1.00 0.00 ATOM 615 CB LEU 81 -13.776 -1.421 2.627 1.00 0.00 ATOM 616 CG LEU 81 -12.551 -0.506 2.707 1.00 0.00 ATOM 617 CD1 LEU 81 -12.491 0.194 4.055 1.00 0.00 ATOM 618 CD2 LEU 81 -11.270 -1.308 2.530 1.00 0.00 ATOM 619 O LEU 81 -16.370 -2.531 1.049 1.00 0.00 ATOM 620 C LEU 81 -15.275 -2.971 1.396 1.00 0.00 ATOM 621 N ASP 82 -15.103 -4.199 1.887 1.00 0.00 ATOM 622 CA ASP 82 -16.234 -5.001 2.349 1.00 0.00 ATOM 623 CB ASP 82 -15.768 -6.400 2.757 1.00 0.00 ATOM 624 CG ASP 82 -15.406 -7.264 1.564 1.00 0.00 ATOM 625 OD1 ASP 82 -15.692 -6.847 0.420 1.00 0.00 ATOM 626 OD2 ASP 82 -14.839 -8.357 1.771 1.00 0.00 ATOM 627 O ASP 82 -16.200 -3.615 4.328 1.00 0.00 ATOM 628 C ASP 82 -16.884 -4.318 3.563 1.00 0.00 ATOM 629 N PHE 83 -18.190 -4.549 3.725 1.00 0.00 ATOM 630 CA PHE 83 -19.008 -3.927 4.778 1.00 0.00 ATOM 631 CB PHE 83 -20.376 -4.609 4.866 1.00 0.00 ATOM 632 CG PHE 83 -21.257 -4.061 5.953 1.00 0.00 ATOM 633 CD1 PHE 83 -21.973 -2.892 5.759 1.00 0.00 ATOM 634 CD2 PHE 83 -21.369 -4.714 7.167 1.00 0.00 ATOM 635 CE1 PHE 83 -22.784 -2.390 6.758 1.00 0.00 ATOM 636 CE2 PHE 83 -22.181 -4.211 8.166 1.00 0.00 ATOM 637 CZ PHE 83 -22.885 -3.054 7.966 1.00 0.00 ATOM 638 O PHE 83 -18.275 -2.992 6.879 1.00 0.00 ATOM 639 C PHE 83 -18.392 -4.006 6.176 1.00 0.00 ATOM 640 N HIS 84 -18.008 -5.219 6.571 1.00 0.00 ATOM 641 CA HIS 84 -17.398 -5.471 7.879 1.00 0.00 ATOM 642 CB HIS 84 -16.913 -6.919 7.974 1.00 0.00 ATOM 643 CG HIS 84 -16.206 -7.236 9.255 1.00 0.00 ATOM 644 CD2 HIS 84 -14.818 -7.420 9.655 1.00 0.00 ATOM 645 ND1 HIS 84 -16.871 -7.435 10.445 1.00 0.00 ATOM 646 CE1 HIS 84 -15.973 -7.701 11.410 1.00 0.00 ATOM 647 NE2 HIS 84 -14.739 -7.692 10.943 1.00 0.00 ATOM 648 O HIS 84 -16.140 -3.906 9.185 1.00 0.00 ATOM 649 C HIS 84 -16.188 -4.563 8.140 1.00 0.00 ATOM 650 N THR 85 -15.240 -4.519 7.193 1.00 0.00 ATOM 651 CA THR 85 -14.072 -3.625 7.268 1.00 0.00 ATOM 652 CB THR 85 -13.152 -3.796 6.046 1.00 0.00 ATOM 653 CG2 THR 85 -11.976 -2.834 6.126 1.00 0.00 ATOM 654 OG1 THR 85 -12.651 -5.138 6.006 1.00 0.00 ATOM 655 O THR 85 -13.843 -1.373 8.055 1.00 0.00 ATOM 656 C THR 85 -14.442 -2.151 7.322 1.00 0.00 ATOM 657 N LYS 86 -15.367 -1.760 6.457 1.00 0.00 ATOM 658 CA LYS 86 -15.809 -0.383 6.408 1.00 0.00 ATOM 659 CB LYS 86 -16.813 -0.182 5.271 1.00 0.00 ATOM 660 CG LYS 86 -17.298 1.249 5.117 1.00 0.00 ATOM 661 CD LYS 86 -18.229 1.392 3.923 1.00 0.00 ATOM 662 CE LYS 86 -18.736 2.817 3.786 1.00 0.00 ATOM 663 NZ LYS 86 -19.663 2.969 2.629 1.00 0.00 ATOM 664 O LYS 86 -16.255 1.164 8.224 1.00 0.00 ATOM 665 C LYS 86 -16.500 0.057 7.725 1.00 0.00 ATOM 666 N GLU 87 -17.337 -0.809 8.285 1.00 0.00 ATOM 667 CA GLU 87 -17.994 -0.525 9.570 1.00 0.00 ATOM 668 CB GLU 87 -18.904 -1.686 9.976 1.00 0.00 ATOM 669 CG GLU 87 -19.661 -1.458 11.274 1.00 0.00 ATOM 670 CD GLU 87 -20.575 -2.614 11.626 1.00 0.00 ATOM 671 OE1 GLU 87 -20.627 -3.589 10.848 1.00 0.00 ATOM 672 OE2 GLU 87 -21.240 -2.545 12.681 1.00 0.00 ATOM 673 O GLU 87 -17.115 0.662 11.454 1.00 0.00 ATOM 674 C GLU 87 -17.007 -0.310 10.709 1.00 0.00 ATOM 675 N VAL 88 -16.056 -1.230 10.839 1.00 0.00 ATOM 676 CA VAL 88 -15.012 -1.121 11.846 1.00 0.00 ATOM 677 CB VAL 88 -14.053 -2.325 11.798 1.00 0.00 ATOM 678 CG1 VAL 88 -12.864 -2.096 12.717 1.00 0.00 ATOM 679 CG2 VAL 88 -14.768 -3.592 12.243 1.00 0.00 ATOM 680 O VAL 88 -13.801 0.790 12.627 1.00 0.00 ATOM 681 C VAL 88 -14.172 0.133 11.654 1.00 0.00 ATOM 682 N ILE 89 -13.868 0.465 10.399 1.00 0.00 ATOM 683 CA ILE 89 -13.009 1.599 10.107 1.00 0.00 ATOM 684 CB ILE 89 -12.665 1.674 8.608 1.00 0.00 ATOM 685 CG1 ILE 89 -11.786 0.491 8.202 1.00 0.00 ATOM 686 CG2 ILE 89 -11.915 2.961 8.297 1.00 0.00 ATOM 687 CD1 ILE 89 -11.620 0.338 6.706 1.00 0.00 ATOM 688 O ILE 89 -13.073 3.759 11.139 1.00 0.00 ATOM 689 C ILE 89 -13.685 2.913 10.491 1.00 0.00 ATOM 690 N THR 90 -14.943 3.067 10.092 1.00 0.00 ATOM 691 CA THR 90 -15.732 4.264 10.379 1.00 0.00 ATOM 692 CB THR 90 -17.164 4.141 9.830 1.00 0.00 ATOM 693 CG2 THR 90 -17.977 5.380 10.179 1.00 0.00 ATOM 694 OG1 THR 90 -17.124 3.999 8.405 1.00 0.00 ATOM 695 O THR 90 -15.684 5.652 12.330 1.00 0.00 ATOM 696 C THR 90 -15.844 4.523 11.880 1.00 0.00 ATOM 697 N ASN 91 -16.125 3.463 12.641 1.00 0.00 ATOM 698 CA ASN 91 -16.224 3.533 14.100 1.00 0.00 ATOM 699 CB ASN 91 -16.552 2.156 14.681 1.00 0.00 ATOM 700 CG ASN 91 -17.989 1.744 14.422 1.00 0.00 ATOM 701 ND2 ASN 91 -18.255 0.445 14.513 1.00 0.00 ATOM 702 OD1 ASN 91 -18.845 2.582 14.143 1.00 0.00 ATOM 703 O ASN 91 -14.941 4.800 15.667 1.00 0.00 ATOM 704 C ASN 91 -14.921 4.005 14.727 1.00 0.00 ATOM 705 N SER 92 -13.799 3.480 14.224 1.00 0.00 ATOM 706 CA SER 92 -12.482 3.875 14.701 1.00 0.00 ATOM 707 CB SER 92 -11.397 3.000 14.069 1.00 0.00 ATOM 708 OG SER 92 -11.511 1.656 14.499 1.00 0.00 ATOM 709 O SER 92 -11.527 5.998 15.190 1.00 0.00 ATOM 710 C SER 92 -12.139 5.310 14.376 1.00 0.00 ATOM 711 N ILE 93 -12.535 5.755 13.185 1.00 0.00 ATOM 712 CA ILE 93 -12.290 7.123 12.736 1.00 0.00 ATOM 713 CB ILE 93 -12.592 7.287 11.235 1.00 0.00 ATOM 714 CG1 ILE 93 -11.591 6.487 10.399 1.00 0.00 ATOM 715 CG2 ILE 93 -12.500 8.750 10.830 1.00 0.00 ATOM 716 CD1 ILE 93 -11.967 6.375 8.939 1.00 0.00 ATOM 717 O ILE 93 -12.690 9.164 13.960 1.00 0.00 ATOM 718 C ILE 93 -13.176 8.130 13.500 1.00 0.00 ATOM 719 N THR 94 -14.459 7.822 13.659 1.00 0.00 ATOM 720 CA THR 94 -15.400 8.759 14.269 1.00 0.00 ATOM 721 CB THR 94 -16.841 8.506 13.788 1.00 0.00 ATOM 722 CG2 THR 94 -16.925 8.619 12.274 1.00 0.00 ATOM 723 OG1 THR 94 -17.253 7.190 14.178 1.00 0.00 ATOM 724 O THR 94 -15.885 9.635 16.436 1.00 0.00 ATOM 725 C THR 94 -15.445 8.688 15.792 1.00 0.00 ATOM 726 N GLN 95 -15.007 7.568 16.355 1.00 0.00 ATOM 727 CA GLN 95 -15.055 7.344 17.798 1.00 0.00 ATOM 728 CB GLN 95 -16.168 6.354 18.150 1.00 0.00 ATOM 729 CG GLN 95 -17.565 6.844 17.809 1.00 0.00 ATOM 730 CD GLN 95 -18.030 7.963 18.720 1.00 0.00 ATOM 731 OE1 GLN 95 -17.739 7.962 19.917 1.00 0.00 ATOM 732 NE2 GLN 95 -18.755 8.921 18.158 1.00 0.00 ATOM 733 O GLN 95 -13.652 5.639 18.725 1.00 0.00 ATOM 734 C GLN 95 -13.707 6.774 18.256 1.00 0.00 ATOM 735 N PRO 96 -12.613 7.559 18.118 1.00 0.00 ATOM 736 CA PRO 96 -11.314 6.990 18.435 1.00 0.00 ATOM 737 CB PRO 96 -10.344 8.160 18.259 1.00 0.00 ATOM 738 CG PRO 96 -11.027 9.069 17.291 1.00 0.00 ATOM 739 CD PRO 96 -12.492 9.002 17.620 1.00 0.00 ATOM 740 O PRO 96 -11.744 7.153 20.786 1.00 0.00 ATOM 741 C PRO 96 -11.287 6.458 19.846 1.00 0.00 ATOM 742 N THR 97 -10.783 5.232 19.997 1.00 0.00 ATOM 743 CA THR 97 -10.666 4.602 21.305 1.00 0.00 ATOM 744 CB THR 97 -10.444 5.645 22.416 1.00 0.00 ATOM 745 CG2 THR 97 -9.180 6.448 22.150 1.00 0.00 ATOM 746 OG1 THR 97 -11.561 6.541 22.464 1.00 0.00 ATOM 747 O THR 97 -11.751 2.830 22.520 1.00 0.00 ATOM 748 C THR 97 -11.886 3.787 21.750 1.00 0.00 ATOM 749 N LEU 98 -13.074 4.152 21.275 1.00 0.00 ATOM 750 CA LEU 98 -14.311 3.606 21.855 1.00 0.00 ATOM 751 CB LEU 98 -15.536 4.281 21.236 1.00 0.00 ATOM 752 CG LEU 98 -16.891 3.910 21.843 1.00 0.00 ATOM 753 CD1 LEU 98 -16.937 4.276 23.320 1.00 0.00 ATOM 754 CD2 LEU 98 -18.017 4.650 21.136 1.00 0.00 ATOM 755 O LEU 98 -15.037 1.368 22.443 1.00 0.00 ATOM 756 C LEU 98 -14.451 2.092 21.621 1.00 0.00 ATOM 757 N HIS 99 -13.909 1.625 20.494 1.00 0.00 ATOM 758 CA HIS 99 -13.974 0.219 20.118 1.00 0.00 ATOM 759 CB HIS 99 -14.369 0.075 18.646 1.00 0.00 ATOM 760 CG HIS 99 -15.734 0.601 18.333 1.00 0.00 ATOM 761 CD2 HIS 99 -17.087 0.060 18.359 1.00 0.00 ATOM 762 ND1 HIS 99 -15.955 1.891 17.902 1.00 0.00 ATOM 763 CE1 HIS 99 -17.274 2.068 17.706 1.00 0.00 ATOM 764 NE2 HIS 99 -17.958 0.974 17.977 1.00 0.00 ATOM 765 O HIS 99 -12.397 -1.546 19.682 1.00 0.00 ATOM 766 C HIS 99 -12.641 -0.511 20.300 1.00 0.00 ATOM 767 N SER 100 -11.799 0.016 21.190 1.00 0.00 ATOM 768 CA SER 100 -10.556 -0.650 21.578 1.00 0.00 ATOM 769 CB SER 100 -9.957 0.015 22.820 1.00 0.00 ATOM 770 OG SER 100 -9.554 1.344 22.541 1.00 0.00 ATOM 771 O SER 100 -9.848 -2.958 21.570 1.00 0.00 ATOM 772 C SER 100 -10.723 -2.147 21.919 1.00 0.00 ATOM 773 N PHE 101 -11.834 -2.485 22.592 1.00 0.00 ATOM 774 CA PHE 101 -12.096 -3.845 23.107 1.00 0.00 ATOM 775 CB PHE 101 -12.674 -3.781 24.522 1.00 0.00 ATOM 776 CG PHE 101 -11.728 -3.204 25.536 1.00 0.00 ATOM 777 CD1 PHE 101 -11.867 -1.896 25.969 1.00 0.00 ATOM 778 CD2 PHE 101 -10.700 -3.968 26.059 1.00 0.00 ATOM 779 CE1 PHE 101 -10.998 -1.365 26.902 1.00 0.00 ATOM 780 CE2 PHE 101 -9.830 -3.437 26.992 1.00 0.00 ATOM 781 CZ PHE 101 -9.975 -2.143 27.415 1.00 0.00 ATOM 782 O PHE 101 -13.527 -5.731 22.724 1.00 0.00 ATOM 783 C PHE 101 -13.092 -4.664 22.274 1.00 0.00 ATOM 784 N ASP 102 -13.394 -4.220 21.046 1.00 0.00 ATOM 785 CA ASP 102 -14.420 -4.865 20.209 1.00 0.00 ATOM 786 CB ASP 102 -14.417 -4.265 18.800 1.00 0.00 ATOM 787 CG ASP 102 -15.599 -4.725 17.969 1.00 0.00 ATOM 788 OD1 ASP 102 -16.423 -5.506 18.489 1.00 0.00 ATOM 789 OD2 ASP 102 -15.700 -4.305 16.797 1.00 0.00 ATOM 790 O ASP 102 -15.175 -7.158 20.284 1.00 0.00 ATOM 791 C ASP 102 -14.246 -6.380 20.027 1.00 0.00 ATOM 792 N ALA 103 -13.081 -6.791 19.534 1.00 0.00 ATOM 793 CA ALA 103 -12.805 -8.210 19.305 1.00 0.00 ATOM 794 CB ALA 103 -11.480 -8.382 18.577 1.00 0.00 ATOM 795 O ALA 103 -13.132 -10.176 20.650 1.00 0.00 ATOM 796 C ALA 103 -12.715 -9.035 20.611 1.00 0.00 ATOM 797 N ALA 104 -12.198 -8.442 21.680 1.00 0.00 ATOM 798 CA ALA 104 -12.112 -9.124 22.977 1.00 0.00 ATOM 799 CB ALA 104 -11.273 -8.310 23.951 1.00 0.00 ATOM 800 O ALA 104 -13.837 -10.371 24.061 1.00 0.00 ATOM 801 C ALA 104 -13.511 -9.300 23.557 1.00 0.00 ATOM 802 N GLN 105 -14.328 -8.248 23.477 1.00 0.00 ATOM 803 CA GLN 105 -15.687 -8.300 23.971 1.00 0.00 ATOM 804 CB GLN 105 -16.375 -6.946 23.792 1.00 0.00 ATOM 805 CG GLN 105 -15.851 -5.856 24.713 1.00 0.00 ATOM 806 CD GLN 105 -16.474 -4.504 24.429 1.00 0.00 ATOM 807 OE1 GLN 105 -17.241 -4.349 23.479 1.00 0.00 ATOM 808 NE2 GLN 105 -16.146 -3.518 25.256 1.00 0.00 ATOM 809 O GLN 105 -17.305 -10.033 23.823 1.00 0.00 ATOM 810 C GLN 105 -16.502 -9.351 23.221 1.00 0.00 ATOM 811 N SER 106 -16.293 -9.480 21.917 1.00 0.00 ATOM 812 CA SER 106 -16.991 -10.541 21.150 1.00 0.00 ATOM 813 CB SER 106 -16.689 -10.409 19.656 1.00 0.00 ATOM 814 OG SER 106 -17.232 -9.211 19.129 1.00 0.00 ATOM 815 O SER 106 -17.420 -12.812 21.798 1.00 0.00 ATOM 816 C SER 106 -16.560 -11.944 21.591 1.00 0.00 ATOM 817 N ARG 107 -15.247 -12.138 21.776 1.00 0.00 ATOM 818 CA ARG 107 -14.717 -13.395 22.321 1.00 0.00 ATOM 819 CB ARG 107 -13.212 -13.278 22.572 1.00 0.00 ATOM 820 CG ARG 107 -12.559 -14.568 23.039 1.00 0.00 ATOM 821 CD ARG 107 -11.097 -14.350 23.393 1.00 0.00 ATOM 822 NE ARG 107 -10.940 -13.486 24.561 1.00 0.00 ATOM 823 CZ ARG 107 -11.112 -13.889 25.816 1.00 0.00 ATOM 824 NH1 ARG 107 -10.947 -13.032 26.815 1.00 0.00 ATOM 825 NH2 ARG 107 -11.447 -15.146 26.068 1.00 0.00 ATOM 826 O ARG 107 -15.848 -14.881 23.840 1.00 0.00 ATOM 827 C ARG 107 -15.386 -13.764 23.650 1.00 0.00 ATOM 828 N VAL 108 -15.435 -12.806 24.557 1.00 0.00 ATOM 829 CA VAL 108 -15.986 -13.015 25.906 1.00 0.00 ATOM 830 CB VAL 108 -15.709 -11.807 26.821 1.00 0.00 ATOM 831 CG1 VAL 108 -16.446 -11.961 28.143 1.00 0.00 ATOM 832 CG2 VAL 108 -14.220 -11.690 27.111 1.00 0.00 ATOM 833 O VAL 108 -18.010 -14.083 26.616 1.00 0.00 ATOM 834 C VAL 108 -17.505 -13.225 25.898 1.00 0.00 ATOM 835 N TYR 109 -18.228 -12.428 25.112 1.00 0.00 ATOM 836 CA TYR 109 -19.656 -12.661 24.905 1.00 0.00 ATOM 837 CB TYR 109 -20.189 -11.761 23.789 1.00 0.00 ATOM 838 CG TYR 109 -21.650 -11.982 23.469 1.00 0.00 ATOM 839 CD1 TYR 109 -22.644 -11.410 24.253 1.00 0.00 ATOM 840 CD2 TYR 109 -22.031 -12.762 22.385 1.00 0.00 ATOM 841 CE1 TYR 109 -23.982 -11.606 23.968 1.00 0.00 ATOM 842 CE2 TYR 109 -23.364 -12.971 22.085 1.00 0.00 ATOM 843 CZ TYR 109 -24.342 -12.384 22.890 1.00 0.00 ATOM 844 OH TYR 109 -25.672 -12.582 22.604 1.00 0.00 ATOM 845 O TYR 109 -20.840 -14.779 25.084 1.00 0.00 ATOM 846 C TYR 109 -19.958 -14.137 24.505 1.00 0.00 ATOM 847 N GLN 110 -19.206 -14.667 23.541 1.00 0.00 ATOM 848 CA GLN 110 -19.420 -16.039 23.050 1.00 0.00 ATOM 849 CB GLN 110 -18.606 -16.286 21.779 1.00 0.00 ATOM 850 CG GLN 110 -19.107 -15.525 20.563 1.00 0.00 ATOM 851 CD GLN 110 -18.211 -15.705 19.352 1.00 0.00 ATOM 852 OE1 GLN 110 -17.152 -16.325 19.439 1.00 0.00 ATOM 853 NE2 GLN 110 -18.638 -15.165 18.217 1.00 0.00 ATOM 854 O GLN 110 -19.615 -18.171 24.168 1.00 0.00 ATOM 855 C GLN 110 -19.006 -17.116 24.069 1.00 0.00 ATOM 856 N LEU 111 -17.955 -16.829 24.811 1.00 0.00 ATOM 857 CA LEU 111 -17.522 -17.667 25.914 1.00 0.00 ATOM 858 CB LEU 111 -16.247 -17.103 26.547 1.00 0.00 ATOM 859 CG LEU 111 -14.975 -17.188 25.702 1.00 0.00 ATOM 860 CD1 LEU 111 -13.836 -16.434 26.370 1.00 0.00 ATOM 861 CD2 LEU 111 -14.547 -18.634 25.518 1.00 0.00 ATOM 862 O LEU 111 -18.799 -18.878 27.544 1.00 0.00 ATOM 863 C LEU 111 -18.568 -17.790 27.046 1.00 0.00 ATOM 864 N MET 112 -19.189 -16.681 27.443 1.00 0.00 ATOM 865 CA MET 112 -20.244 -16.693 28.471 1.00 0.00 ATOM 866 CB MET 112 -20.723 -15.270 28.764 1.00 0.00 ATOM 867 CG MET 112 -19.700 -14.407 29.485 1.00 0.00 ATOM 868 SD MET 112 -20.265 -12.710 29.720 1.00 0.00 ATOM 869 CE MET 112 -21.576 -12.953 30.916 1.00 0.00 ATOM 870 O MET 112 -22.062 -18.183 28.864 1.00 0.00 ATOM 871 C MET 112 -21.460 -17.506 28.046 1.00 0.00 ATOM 872 N GLU 113 -21.799 -17.460 26.759 1.00 0.00 ATOM 873 CA GLU 113 -22.809 -18.368 26.200 1.00 0.00 ATOM 874 CB GLU 113 -22.931 -18.167 24.688 1.00 0.00 ATOM 875 CG GLU 113 -23.585 -16.855 24.288 1.00 0.00 ATOM 876 CD GLU 113 -23.605 -16.647 22.786 1.00 0.00 ATOM 877 OE1 GLU 113 -23.045 -17.498 22.063 1.00 0.00 ATOM 878 OE2 GLU 113 -24.180 -15.635 22.333 1.00 0.00 ATOM 879 O GLU 113 -23.425 -20.647 26.519 1.00 0.00 ATOM 880 C GLU 113 -22.505 -19.860 26.418 1.00 0.00 ATOM 881 N GLN 114 -21.236 -20.249 26.477 1.00 0.00 ATOM 882 CA GLN 114 -20.884 -21.663 26.639 1.00 0.00 ATOM 883 CB GLN 114 -19.721 -22.036 25.717 1.00 0.00 ATOM 884 CG GLN 114 -20.033 -21.889 24.237 1.00 0.00 ATOM 885 CD GLN 114 -18.865 -22.286 23.354 1.00 0.00 ATOM 886 OE1 GLN 114 -17.851 -22.786 23.838 1.00 0.00 ATOM 887 NE2 GLN 114 -19.007 -22.060 22.052 1.00 0.00 ATOM 888 O GLN 114 -20.317 -23.200 28.387 1.00 0.00 ATOM 889 C GLN 114 -20.455 -22.014 28.068 1.00 0.00 ATOM 890 N ASP 115 -20.249 -21.000 28.917 1.00 0.00 ATOM 891 CA ASP 115 -19.647 -21.204 30.239 1.00 0.00 ATOM 892 CB ASP 115 -18.238 -20.610 30.283 1.00 0.00 ATOM 893 CG ASP 115 -17.536 -20.870 31.602 1.00 0.00 ATOM 894 OD1 ASP 115 -18.183 -21.415 32.521 1.00 0.00 ATOM 895 OD2 ASP 115 -16.340 -20.530 31.716 1.00 0.00 ATOM 896 O ASP 115 -21.279 -21.207 31.994 1.00 0.00 ATOM 897 C ASP 115 -20.465 -20.540 31.347 1.00 0.00 ATOM 898 N SER 116 -20.247 -19.246 31.564 1.00 0.00 ATOM 899 CA SER 116 -20.897 -18.523 32.661 1.00 0.00 ATOM 900 CB SER 116 -20.588 -17.027 32.574 1.00 0.00 ATOM 901 OG SER 116 -19.207 -16.779 32.778 1.00 0.00 ATOM 902 O SER 116 -23.032 -18.942 33.672 1.00 0.00 ATOM 903 C SER 116 -22.425 -18.687 32.630 1.00 0.00 ATOM 904 N TYR 117 -23.035 -18.556 31.452 1.00 0.00 ATOM 905 CA TYR 117 -24.497 -18.519 31.370 1.00 0.00 ATOM 906 CB TYR 117 -24.945 -18.186 29.945 1.00 0.00 ATOM 907 CG TYR 117 -26.447 -18.152 29.767 1.00 0.00 ATOM 908 CD1 TYR 117 -27.187 -17.052 30.180 1.00 0.00 ATOM 909 CD2 TYR 117 -27.119 -19.219 29.186 1.00 0.00 ATOM 910 CE1 TYR 117 -28.559 -17.011 30.023 1.00 0.00 ATOM 911 CE2 TYR 117 -28.491 -19.196 29.019 1.00 0.00 ATOM 912 CZ TYR 117 -29.209 -18.080 29.443 1.00 0.00 ATOM 913 OH TYR 117 -30.575 -18.041 29.286 1.00 0.00 ATOM 914 O TYR 117 -26.011 -19.865 32.631 1.00 0.00 ATOM 915 C TYR 117 -25.156 -19.853 31.749 1.00 0.00 ATOM 916 N THR 118 -24.748 -20.961 31.099 1.00 0.00 ATOM 917 CA THR 118 -25.229 -22.278 31.499 1.00 0.00 ATOM 918 CB THR 118 -24.544 -23.398 30.696 1.00 0.00 ATOM 919 CG2 THR 118 -25.034 -24.762 31.159 1.00 0.00 ATOM 920 OG1 THR 118 -24.847 -23.246 29.303 1.00 0.00 ATOM 921 O THR 118 -25.851 -23.166 33.651 1.00 0.00 ATOM 922 C THR 118 -24.983 -22.603 32.979 1.00 0.00 ATOM 923 N ARG 119 -23.829 -22.215 33.507 1.00 0.00 ATOM 924 CA ARG 119 -23.561 -22.429 34.924 1.00 0.00 ATOM 925 CB ARG 119 -22.178 -21.888 35.294 1.00 0.00 ATOM 926 CG ARG 119 -21.797 -22.104 36.749 1.00 0.00 ATOM 927 CD ARG 119 -20.372 -21.649 37.020 1.00 0.00 ATOM 928 NE ARG 119 -20.004 -21.809 38.424 1.00 0.00 ATOM 929 CZ ARG 119 -18.835 -21.442 38.938 1.00 0.00 ATOM 930 NH1 ARG 119 -18.587 -21.628 40.227 1.00 0.00 ATOM 931 NH2 ARG 119 -17.913 -20.890 38.159 1.00 0.00 ATOM 932 O ARG 119 -25.019 -22.266 36.859 1.00 0.00 ATOM 933 C ARG 119 -24.597 -21.720 35.834 1.00 0.00 ATOM 934 N PHE 120 -25.000 -20.506 35.448 1.00 0.00 ATOM 935 CA PHE 120 -26.026 -19.763 36.165 1.00 0.00 ATOM 936 CB PHE 120 -26.205 -18.371 35.552 1.00 0.00 ATOM 937 CG PHE 120 -27.279 -17.553 36.212 1.00 0.00 ATOM 938 CD1 PHE 120 -27.034 -16.903 37.409 1.00 0.00 ATOM 939 CD2 PHE 120 -28.530 -17.432 35.634 1.00 0.00 ATOM 940 CE1 PHE 120 -28.022 -16.149 38.016 1.00 0.00 ATOM 941 CE2 PHE 120 -29.516 -16.679 36.241 1.00 0.00 ATOM 942 CZ PHE 120 -29.268 -16.038 37.427 1.00 0.00 ATOM 943 O PHE 120 -28.036 -20.678 37.128 1.00 0.00 ATOM 944 C PHE 120 -27.386 -20.486 36.108 1.00 0.00 ATOM 945 N LEU 121 -27.799 -20.900 34.917 1.00 0.00 ATOM 946 CA LEU 121 -29.105 -21.549 34.747 1.00 0.00 ATOM 947 CB LEU 121 -29.380 -21.824 33.269 1.00 0.00 ATOM 948 CG LEU 121 -29.634 -20.598 32.388 1.00 0.00 ATOM 949 CD1 LEU 121 -29.710 -20.996 30.922 1.00 0.00 ATOM 950 CD2 LEU 121 -30.944 -19.925 32.767 1.00 0.00 ATOM 951 O LEU 121 -30.200 -23.222 36.093 1.00 0.00 ATOM 952 C LEU 121 -29.168 -22.904 35.504 1.00 0.00 ATOM 953 N LYS 122 -28.082 -23.668 35.520 1.00 0.00 ATOM 954 CA LYS 122 -28.077 -24.949 36.285 1.00 0.00 ATOM 955 CB LYS 122 -26.973 -25.875 35.772 1.00 0.00 ATOM 956 CG LYS 122 -27.183 -26.364 34.348 1.00 0.00 ATOM 957 CD LYS 122 -26.048 -27.270 33.901 1.00 0.00 ATOM 958 CE LYS 122 -26.263 -27.763 32.479 1.00 0.00 ATOM 959 NZ LYS 122 -25.140 -28.623 32.014 1.00 0.00 ATOM 960 O LYS 122 -27.967 -25.782 38.536 1.00 0.00 ATOM 961 C LYS 122 -27.840 -24.806 37.797 1.00 0.00 ATOM 962 N SER 123 -27.533 -23.597 38.267 1.00 0.00 ATOM 963 CA SER 123 -27.270 -23.364 39.686 1.00 0.00 ATOM 964 CB SER 123 -26.789 -21.930 39.913 1.00 0.00 ATOM 965 OG SER 123 -27.824 -20.998 39.652 1.00 0.00 ATOM 966 O SER 123 -29.638 -23.463 40.112 1.00 0.00 ATOM 967 C SER 123 -28.509 -23.568 40.574 1.00 0.00 ATOM 968 N ASP 124 -28.268 -23.876 41.849 1.00 0.00 ATOM 969 CA ASP 124 -29.308 -23.850 42.886 1.00 0.00 ATOM 970 CB ASP 124 -28.716 -24.214 44.248 1.00 0.00 ATOM 971 CG ASP 124 -28.378 -25.688 44.362 1.00 0.00 ATOM 972 OD1 ASP 124 -28.814 -26.467 43.488 1.00 0.00 ATOM 973 OD2 ASP 124 -27.676 -26.063 45.325 1.00 0.00 ATOM 974 O ASP 124 -31.139 -22.356 43.222 1.00 0.00 ATOM 975 C ASP 124 -29.948 -22.468 43.008 1.00 0.00 ATOM 976 N ILE 125 -29.147 -21.420 42.883 1.00 0.00 ATOM 977 CA ILE 125 -29.659 -20.034 42.899 1.00 0.00 ATOM 978 CB ILE 125 -28.562 -19.021 42.522 1.00 0.00 ATOM 979 CG1 ILE 125 -27.490 -18.965 43.612 1.00 0.00 ATOM 980 CG2 ILE 125 -29.155 -17.630 42.358 1.00 0.00 ATOM 981 CD1 ILE 125 -26.245 -18.209 43.205 1.00 0.00 ATOM 982 O ILE 125 -31.924 -19.418 42.293 1.00 0.00 ATOM 983 C ILE 125 -30.825 -19.839 41.899 1.00 0.00 ATOM 984 N TYR 126 -30.619 -20.195 40.633 1.00 0.00 ATOM 985 CA TYR 126 -31.696 -20.061 39.648 1.00 0.00 ATOM 986 CB TYR 126 -31.153 -20.253 38.230 1.00 0.00 ATOM 987 CG TYR 126 -32.207 -20.153 37.151 1.00 0.00 ATOM 988 CD1 TYR 126 -32.676 -18.916 36.727 1.00 0.00 ATOM 989 CD2 TYR 126 -32.731 -21.297 36.560 1.00 0.00 ATOM 990 CE1 TYR 126 -33.640 -18.816 35.742 1.00 0.00 ATOM 991 CE2 TYR 126 -33.694 -21.216 35.573 1.00 0.00 ATOM 992 CZ TYR 126 -34.147 -19.961 35.166 1.00 0.00 ATOM 993 OH TYR 126 -35.106 -19.865 34.185 1.00 0.00 ATOM 994 O TYR 126 -33.993 -20.736 39.803 1.00 0.00 ATOM 995 C TYR 126 -32.818 -21.078 39.836 1.00 0.00 ATOM 996 N LEU 127 -32.443 -22.341 40.006 1.00 0.00 ATOM 997 CA LEU 127 -33.411 -23.414 40.111 1.00 0.00 ATOM 998 CB LEU 127 -32.702 -24.766 40.221 1.00 0.00 ATOM 999 CG LEU 127 -31.957 -25.245 38.974 1.00 0.00 ATOM 1000 CD1 LEU 127 -31.166 -26.508 39.273 1.00 0.00 ATOM 1001 CD2 LEU 127 -32.933 -25.550 37.848 1.00 0.00 ATOM 1002 O LEU 127 -35.459 -23.505 41.292 1.00 0.00 ATOM 1003 C LEU 127 -34.280 -23.223 41.341 1.00 0.00 ATOM 1004 N ASP 128 -33.716 -22.688 42.424 1.00 0.00 ATOM 1005 CA ASP 128 -34.515 -22.389 43.618 1.00 0.00 ATOM 1006 CB ASP 128 -33.616 -21.889 44.750 1.00 0.00 ATOM 1007 CG ASP 128 -32.777 -22.994 45.360 1.00 0.00 ATOM 1008 OD1 ASP 128 -33.055 -24.177 45.076 1.00 0.00 ATOM 1009 OD2 ASP 128 -31.840 -22.676 46.123 1.00 0.00 ATOM 1010 O ASP 128 -36.718 -21.461 43.775 1.00 0.00 ATOM 1011 C ASP 128 -35.572 -21.310 43.358 1.00 0.00 ATOM 1012 N LEU 129 -35.196 -20.250 42.653 1.00 0.00 ATOM 1013 CA LEU 129 -36.169 -19.244 42.209 1.00 0.00 ATOM 1014 CB LEU 129 -35.514 -18.254 41.244 1.00 0.00 ATOM 1015 CG LEU 129 -36.423 -17.167 40.666 1.00 0.00 ATOM 1016 CD1 LEU 129 -36.952 -16.265 41.770 1.00 0.00 ATOM 1017 CD2 LEU 129 -35.663 -16.305 39.671 1.00 0.00 ATOM 1018 O LEU 129 -38.491 -19.694 41.880 1.00 0.00 ATOM 1019 C LEU 129 -37.342 -19.889 41.492 1.00 0.00 ATOM 1020 N MET 130 -37.044 -20.661 40.448 1.00 0.00 ATOM 1021 CA MET 130 -38.092 -21.332 39.684 1.00 0.00 ATOM 1022 CB MET 130 -37.481 -22.337 38.706 1.00 0.00 ATOM 1023 CG MET 130 -38.495 -23.023 37.806 1.00 0.00 ATOM 1024 SD MET 130 -39.330 -21.876 36.695 1.00 0.00 ATOM 1025 CE MET 130 -38.082 -21.662 35.429 1.00 0.00 ATOM 1026 O MET 130 -40.235 -21.774 40.617 1.00 0.00 ATOM 1027 C MET 130 -39.052 -22.091 40.594 1.00 0.00 ATOM 1028 N GLU 131 -38.533 -23.061 41.352 1.00 0.00 ATOM 1029 CA GLU 131 -39.325 -23.822 42.331 1.00 0.00 ATOM 1030 CB GLU 131 -38.413 -24.700 43.191 1.00 0.00 ATOM 1031 CG GLU 131 -39.151 -25.545 44.216 1.00 0.00 ATOM 1032 CD GLU 131 -38.220 -26.431 45.021 1.00 0.00 ATOM 1033 OE1 GLU 131 -37.001 -26.408 44.752 1.00 0.00 ATOM 1034 OE2 GLU 131 -38.711 -27.148 45.918 1.00 0.00 ATOM 1035 O GLU 131 -41.315 -23.151 43.492 1.00 0.00 ATOM 1036 C GLU 131 -40.123 -22.935 43.290 1.00 0.00 ATOM 1037 N GLY 132 -39.436 -21.956 43.880 1.00 0.00 ATOM 1038 CA GLY 132 -39.980 -21.112 44.935 1.00 0.00 ATOM 1039 O GLY 132 -39.674 -18.783 44.539 1.00 0.00 ATOM 1040 C GLY 132 -39.207 -19.812 45.013 1.00 0.00 TER END