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 4 Mon Jun 5 19:35:33 2006 MODEL 4 PARENT 2bt2_A ATOM 2 N PRO 5 19.284 -7.827 -9.575 1.00 0.00 ATOM 3 CA PRO 5 18.885 -9.219 -9.823 1.00 0.00 ATOM 4 CB PRO 5 20.212 -9.974 -9.921 1.00 0.00 ATOM 5 CG PRO 5 21.181 -8.961 -10.434 1.00 0.00 ATOM 6 CD PRO 5 20.836 -7.669 -9.747 1.00 0.00 ATOM 7 O PRO 5 16.925 -10.299 -8.933 1.00 0.00 ATOM 8 C PRO 5 18.014 -9.790 -8.698 1.00 0.00 ATOM 9 N GLU 6 18.512 -9.695 -7.472 1.00 0.00 ATOM 10 CA GLU 6 17.817 -10.198 -6.288 1.00 0.00 ATOM 11 CB GLU 6 18.701 -10.051 -5.048 1.00 0.00 ATOM 12 CG GLU 6 19.900 -10.986 -5.025 1.00 0.00 ATOM 13 CD GLU 6 20.817 -10.728 -3.845 1.00 0.00 ATOM 14 OE1 GLU 6 20.553 -9.772 -3.085 1.00 0.00 ATOM 15 OE2 GLU 6 21.798 -11.482 -3.680 1.00 0.00 ATOM 16 O GLU 6 15.543 -10.068 -5.636 1.00 0.00 ATOM 17 C GLU 6 16.524 -9.452 -6.018 1.00 0.00 ATOM 18 N GLU 7 16.512 -8.134 -6.207 1.00 0.00 ATOM 19 CA GLU 7 15.292 -7.351 -6.006 1.00 0.00 ATOM 20 CB GLU 7 15.551 -5.873 -6.301 1.00 0.00 ATOM 21 CG GLU 7 16.386 -5.165 -5.247 1.00 0.00 ATOM 22 CD GLU 7 16.576 -3.691 -5.546 1.00 0.00 ATOM 23 OE1 GLU 7 16.084 -3.229 -6.597 1.00 0.00 ATOM 24 OE2 GLU 7 17.219 -2.997 -4.729 1.00 0.00 ATOM 25 O GLU 7 13.201 -8.440 -6.529 1.00 0.00 ATOM 26 C GLU 7 14.215 -7.889 -6.962 1.00 0.00 ATOM 27 N ALA 8 14.499 -7.804 -8.260 1.00 0.00 ATOM 28 CA ALA 8 13.510 -8.049 -9.296 1.00 0.00 ATOM 29 CB ALA 8 14.113 -7.809 -10.672 1.00 0.00 ATOM 30 O ALA 8 11.810 -9.774 -9.486 1.00 0.00 ATOM 31 C ALA 8 12.985 -9.502 -9.257 1.00 0.00 ATOM 32 N VAL 9 13.871 -10.445 -9.009 1.00 0.00 ATOM 33 CA VAL 9 13.466 -11.858 -9.044 1.00 0.00 ATOM 34 CB VAL 9 14.688 -12.795 -9.085 1.00 0.00 ATOM 35 CG1 VAL 9 15.536 -12.508 -10.316 1.00 0.00 ATOM 36 CG2 VAL 9 15.553 -12.598 -7.850 1.00 0.00 ATOM 37 O VAL 9 11.868 -13.214 -7.862 1.00 0.00 ATOM 38 C VAL 9 12.638 -12.257 -7.812 1.00 0.00 ATOM 39 N LYS 10 12.776 -11.491 -6.728 1.00 0.00 ATOM 40 CA LYS 10 11.970 -11.673 -5.515 1.00 0.00 ATOM 41 CB LYS 10 12.535 -10.836 -4.367 1.00 0.00 ATOM 42 CG LYS 10 13.867 -11.334 -3.830 1.00 0.00 ATOM 43 CD LYS 10 14.371 -10.456 -2.696 1.00 0.00 ATOM 44 CE LYS 10 15.701 -10.956 -2.160 1.00 0.00 ATOM 45 NZ LYS 10 16.222 -10.086 -1.068 1.00 0.00 ATOM 46 O LYS 10 9.627 -11.852 -5.039 1.00 0.00 ATOM 47 C LYS 10 10.503 -11.266 -5.671 1.00 0.00 ATOM 48 N TRP 11 10.246 -10.256 -6.502 1.00 0.00 ATOM 49 CA TRP 11 8.882 -9.796 -6.787 1.00 0.00 ATOM 50 CB TRP 11 8.900 -8.697 -7.851 1.00 0.00 ATOM 51 CG TRP 11 9.470 -7.400 -7.366 1.00 0.00 ATOM 52 CD1 TRP 11 9.749 -7.061 -6.074 1.00 0.00 ATOM 53 CD2 TRP 11 9.833 -6.268 -8.167 1.00 0.00 ATOM 54 CE2 TRP 11 10.324 -5.279 -7.291 1.00 0.00 ATOM 55 CE3 TRP 11 9.789 -5.994 -9.537 1.00 0.00 ATOM 56 NE1 TRP 11 10.263 -5.787 -6.018 1.00 0.00 ATOM 57 CZ2 TRP 11 10.769 -4.038 -7.742 1.00 0.00 ATOM 58 CZ3 TRP 11 10.233 -4.761 -9.978 1.00 0.00 ATOM 59 CH2 TRP 11 10.716 -3.797 -9.087 1.00 0.00 ATOM 60 O TRP 11 6.815 -10.980 -6.987 1.00 0.00 ATOM 61 C TRP 11 8.005 -10.917 -7.298 1.00 0.00 ATOM 62 N GLY 12 8.618 -11.804 -8.063 1.00 0.00 ATOM 63 CA GLY 12 7.979 -12.998 -8.574 1.00 0.00 ATOM 64 O GLY 12 6.860 -14.850 -7.568 1.00 0.00 ATOM 65 C GLY 12 7.743 -14.020 -7.454 1.00 0.00 ATOM 66 N GLU 13 8.551 -13.987 -6.395 1.00 0.00 ATOM 67 CA GLU 13 8.520 -15.023 -5.369 1.00 0.00 ATOM 68 CB GLU 13 9.875 -15.121 -4.666 1.00 0.00 ATOM 69 CG GLU 13 11.009 -15.584 -5.565 1.00 0.00 ATOM 70 CD GLU 13 12.344 -15.625 -4.847 1.00 0.00 ATOM 71 OE1 GLU 13 12.388 -15.256 -3.654 1.00 0.00 ATOM 72 OE2 GLU 13 13.345 -16.025 -5.476 1.00 0.00 ATOM 73 O GLU 13 6.794 -15.669 -3.845 1.00 0.00 ATOM 74 C GLU 13 7.466 -14.750 -4.296 1.00 0.00 ATOM 75 N SER 14 7.301 -13.499 -3.879 1.00 0.00 ATOM 76 CA SER 14 6.231 -13.190 -2.952 1.00 0.00 ATOM 77 CB SER 14 6.688 -13.419 -1.510 1.00 0.00 ATOM 78 OG SER 14 5.662 -13.084 -0.590 1.00 0.00 ATOM 79 O SER 14 6.570 -10.859 -3.456 1.00 0.00 ATOM 80 C SER 14 5.786 -11.748 -3.073 1.00 0.00 ATOM 81 N PHE 15 4.526 -11.513 -2.726 1.00 0.00 ATOM 82 CA PHE 15 3.949 -10.178 -2.835 1.00 0.00 ATOM 83 CB PHE 15 2.432 -10.233 -2.642 1.00 0.00 ATOM 84 CG PHE 15 1.741 -8.924 -2.894 1.00 0.00 ATOM 85 CD1 PHE 15 1.589 -8.441 -4.183 1.00 0.00 ATOM 86 CD2 PHE 15 1.245 -8.173 -1.843 1.00 0.00 ATOM 87 CE1 PHE 15 0.952 -7.236 -4.414 1.00 0.00 ATOM 88 CE2 PHE 15 0.609 -6.969 -2.074 1.00 0.00 ATOM 89 CZ PHE 15 0.462 -6.499 -3.354 1.00 0.00 ATOM 90 O PHE 15 4.767 -8.106 -1.988 1.00 0.00 ATOM 91 C PHE 15 4.560 -9.288 -1.761 1.00 0.00 ATOM 92 N ASP 16 4.862 -9.884 -0.608 1.00 0.00 ATOM 93 CA ASP 16 5.698 -9.287 0.465 1.00 0.00 ATOM 94 CB ASP 16 6.085 -10.349 1.496 1.00 0.00 ATOM 95 CG ASP 16 4.920 -10.763 2.372 1.00 0.00 ATOM 96 OD1 ASP 16 3.877 -10.077 2.337 1.00 0.00 ATOM 97 OD2 ASP 16 5.050 -11.775 3.094 1.00 0.00 ATOM 98 O ASP 16 7.391 -7.584 0.360 1.00 0.00 ATOM 99 C ASP 16 7.000 -8.670 -0.044 1.00 0.00 ATOM 100 N LYS 17 7.679 -9.379 -0.924 1.00 0.00 ATOM 101 CA LYS 17 8.980 -8.931 -1.413 1.00 0.00 ATOM 102 CB LYS 17 9.691 -10.061 -2.159 1.00 0.00 ATOM 103 CG LYS 17 10.166 -11.193 -1.264 1.00 0.00 ATOM 104 CD LYS 17 10.866 -12.278 -2.068 1.00 0.00 ATOM 105 CE LYS 17 11.311 -13.425 -1.177 1.00 0.00 ATOM 106 NZ LYS 17 11.976 -14.507 -1.955 1.00 0.00 ATOM 107 O LYS 17 9.639 -6.835 -2.347 1.00 0.00 ATOM 108 C LYS 17 8.827 -7.757 -2.363 1.00 0.00 ATOM 109 N LEU 18 7.789 -7.796 -3.196 1.00 0.00 ATOM 110 CA LEU 18 7.479 -6.653 -4.060 1.00 0.00 ATOM 111 CB LEU 18 6.266 -6.961 -4.940 1.00 0.00 ATOM 112 CG LEU 18 5.816 -5.846 -5.887 1.00 0.00 ATOM 113 CD1 LEU 18 6.915 -5.509 -6.882 1.00 0.00 ATOM 114 CD2 LEU 18 4.581 -6.271 -6.667 1.00 0.00 ATOM 115 O LEU 18 7.696 -4.369 -3.404 1.00 0.00 ATOM 116 C LEU 18 7.170 -5.439 -3.193 1.00 0.00 ATOM 117 N LEU 19 6.305 -5.619 -2.197 1.00 0.00 ATOM 118 CA LEU 19 5.818 -4.499 -1.363 1.00 0.00 ATOM 119 CB LEU 19 4.671 -4.960 -0.462 1.00 0.00 ATOM 120 CG LEU 19 3.376 -5.367 -1.167 1.00 0.00 ATOM 121 CD1 LEU 19 2.369 -5.914 -0.168 1.00 0.00 ATOM 122 CD2 LEU 19 2.748 -4.173 -1.869 1.00 0.00 ATOM 123 O LEU 19 6.808 -2.770 -0.017 1.00 0.00 ATOM 124 C LEU 19 6.895 -3.920 -0.458 1.00 0.00 ATOM 125 N SER 20 7.904 -4.735 -0.183 1.00 0.00 ATOM 126 CA SER 20 9.054 -4.323 0.628 1.00 0.00 ATOM 127 CB SER 20 9.766 -5.547 1.208 1.00 0.00 ATOM 128 OG SER 20 10.371 -6.319 0.184 1.00 0.00 ATOM 129 O SER 20 10.993 -2.959 0.449 1.00 0.00 ATOM 130 C SER 20 10.102 -3.535 -0.148 1.00 0.00 ATOM 131 N HIS 21 10.002 -3.524 -1.469 1.00 0.00 ATOM 132 CA HIS 21 11.042 -2.961 -2.321 1.00 0.00 ATOM 133 CB HIS 21 11.275 -3.854 -3.543 1.00 0.00 ATOM 134 CG HIS 21 11.856 -5.192 -3.210 1.00 0.00 ATOM 135 CD2 HIS 21 12.379 -5.828 -2.009 1.00 0.00 ATOM 136 ND1 HIS 21 12.012 -6.190 -4.148 1.00 0.00 ATOM 137 CE1 HIS 21 12.557 -7.268 -3.555 1.00 0.00 ATOM 138 NE2 HIS 21 12.780 -7.057 -2.272 1.00 0.00 ATOM 139 O HIS 21 9.517 -1.399 -3.228 1.00 0.00 ATOM 140 C HIS 21 10.635 -1.572 -2.807 1.00 0.00 ATOM 141 N ARG 22 11.554 -0.600 -2.760 1.00 0.00 ATOM 142 CA ARG 22 11.350 0.738 -3.333 1.00 0.00 ATOM 143 CB ARG 22 12.605 1.595 -3.153 1.00 0.00 ATOM 144 CG ARG 22 12.868 2.016 -1.717 1.00 0.00 ATOM 145 CD ARG 22 14.150 2.823 -1.604 1.00 0.00 ATOM 146 NE ARG 22 14.444 3.193 -0.222 1.00 0.00 ATOM 147 CZ ARG 22 15.533 3.853 0.159 1.00 0.00 ATOM 148 NH1 ARG 22 15.717 4.147 1.440 1.00 0.00 ATOM 149 NH2 ARG 22 16.438 4.217 -0.739 1.00 0.00 ATOM 150 O ARG 22 10.087 1.362 -5.342 1.00 0.00 ATOM 151 C ARG 22 11.039 0.693 -4.831 1.00 0.00 ATOM 152 N ASP 23 11.880 -0.052 -5.530 1.00 0.00 ATOM 153 CA ASP 23 11.716 -0.232 -6.969 1.00 0.00 ATOM 154 CB ASP 23 12.907 -0.993 -7.553 1.00 0.00 ATOM 155 CG ASP 23 14.164 -0.146 -7.617 1.00 0.00 ATOM 156 OD1 ASP 23 14.058 1.086 -7.443 1.00 0.00 ATOM 157 OD2 ASP 23 15.253 -0.716 -7.839 1.00 0.00 ATOM 158 O ASP 23 9.768 -0.645 -8.278 1.00 0.00 ATOM 159 C ASP 23 10.469 -1.012 -7.331 1.00 0.00 ATOM 160 N GLY 24 10.209 -2.081 -6.577 1.00 0.00 ATOM 161 CA GLY 24 9.030 -2.906 -6.787 1.00 0.00 ATOM 162 O GLY 24 6.870 -2.127 -7.560 1.00 0.00 ATOM 163 C GLY 24 7.743 -2.096 -6.691 1.00 0.00 ATOM 164 N LEU 25 7.630 -1.353 -5.617 1.00 0.00 ATOM 165 CA LEU 25 6.424 -0.649 -5.327 1.00 0.00 ATOM 166 CB LEU 25 6.515 0.027 -3.956 1.00 0.00 ATOM 167 CG LEU 25 6.532 -0.904 -2.742 1.00 0.00 ATOM 168 CD1 LEU 25 6.804 -0.119 -1.467 1.00 0.00 ATOM 169 CD2 LEU 25 5.193 -1.610 -2.588 1.00 0.00 ATOM 170 O LEU 25 5.091 0.626 -6.860 1.00 0.00 ATOM 171 C LEU 25 6.219 0.404 -6.400 1.00 0.00 ATOM 172 N GLU 26 7.312 1.059 -6.790 1.00 0.00 ATOM 173 CA GLU 26 7.257 2.099 -7.819 1.00 0.00 ATOM 174 CB GLU 26 8.637 2.728 -8.020 1.00 0.00 ATOM 175 CG GLU 26 9.096 3.597 -6.861 1.00 0.00 ATOM 176 CD GLU 26 10.514 4.103 -7.039 1.00 0.00 ATOM 177 OE1 GLU 26 11.164 3.713 -8.032 1.00 0.00 ATOM 178 OE2 GLU 26 10.976 4.889 -6.185 1.00 0.00 ATOM 179 O GLU 26 5.970 2.160 -9.853 1.00 0.00 ATOM 180 C GLU 26 6.800 1.554 -9.176 1.00 0.00 ATOM 181 N ALA 27 7.324 0.390 -9.542 1.00 0.00 ATOM 182 CA ALA 27 6.997 -0.259 -10.818 1.00 0.00 ATOM 183 CB ALA 27 7.903 -1.459 -11.049 1.00 0.00 ATOM 184 O ALA 27 4.820 -0.463 -11.774 1.00 0.00 ATOM 185 C ALA 27 5.558 -0.745 -10.835 1.00 0.00 ATOM 186 N PHE 28 5.171 -1.436 -9.771 1.00 0.00 ATOM 187 CA PHE 28 3.779 -1.864 -9.534 1.00 0.00 ATOM 188 CB PHE 28 3.661 -2.578 -8.187 1.00 0.00 ATOM 189 CG PHE 28 2.268 -3.040 -7.866 1.00 0.00 ATOM 190 CD1 PHE 28 1.758 -4.194 -8.436 1.00 0.00 ATOM 191 CD2 PHE 28 1.468 -2.323 -6.995 1.00 0.00 ATOM 192 CE1 PHE 28 0.477 -4.620 -8.142 1.00 0.00 ATOM 193 CE2 PHE 28 0.187 -2.747 -6.700 1.00 0.00 ATOM 194 CZ PHE 28 -0.310 -3.891 -7.269 1.00 0.00 ATOM 195 O PHE 28 1.701 -0.783 -10.132 1.00 0.00 ATOM 196 C PHE 28 2.771 -0.711 -9.510 1.00 0.00 ATOM 197 N THR 29 3.108 0.381 -8.847 1.00 0.00 ATOM 198 CA THR 29 2.321 1.583 -8.963 1.00 0.00 ATOM 199 CB THR 29 2.971 2.758 -8.211 1.00 0.00 ATOM 200 CG2 THR 29 2.134 4.019 -8.367 1.00 0.00 ATOM 201 OG1 THR 29 3.074 2.440 -6.817 1.00 0.00 ATOM 202 O THR 29 1.010 2.359 -10.785 1.00 0.00 ATOM 203 C THR 29 2.126 2.055 -10.394 1.00 0.00 ATOM 204 N ARG 30 3.204 2.168 -11.169 1.00 0.00 ATOM 205 CA ARG 30 3.083 2.589 -12.549 1.00 0.00 ATOM 206 CB ARG 30 4.454 2.606 -13.227 1.00 0.00 ATOM 207 CG ARG 30 5.369 3.721 -12.747 1.00 0.00 ATOM 208 CD ARG 30 6.737 3.635 -13.407 1.00 0.00 ATOM 209 NE ARG 30 7.639 4.683 -12.935 1.00 0.00 ATOM 210 CZ ARG 30 8.913 4.790 -13.297 1.00 0.00 ATOM 211 NH1 ARG 30 9.658 5.777 -12.818 1.00 0.00 ATOM 212 NH2 ARG 30 9.441 3.909 -14.137 1.00 0.00 ATOM 213 O ARG 30 1.286 2.054 -14.065 1.00 0.00 ATOM 214 C ARG 30 2.160 1.618 -13.325 1.00 0.00 ATOM 215 N PHE 31 2.309 0.311 -13.087 1.00 0.00 ATOM 216 CA PHE 31 1.463 -0.684 -13.725 1.00 0.00 ATOM 217 CB PHE 31 1.874 -2.094 -13.293 1.00 0.00 ATOM 218 CG PHE 31 1.019 -3.181 -13.879 1.00 0.00 ATOM 219 CD1 PHE 31 1.216 -3.611 -15.180 1.00 0.00 ATOM 220 CD2 PHE 31 0.017 -3.773 -13.130 1.00 0.00 ATOM 221 CE1 PHE 31 0.430 -4.612 -15.719 1.00 0.00 ATOM 222 CE2 PHE 31 -0.770 -4.773 -13.668 1.00 0.00 ATOM 223 CZ PHE 31 -0.566 -5.193 -14.958 1.00 0.00 ATOM 224 O PHE 31 -0.850 -0.359 -14.178 1.00 0.00 ATOM 225 C PHE 31 0.011 -0.448 -13.326 1.00 0.00 ATOM 226 N LEU 32 -0.252 -0.330 -12.035 1.00 0.00 ATOM 227 CA LEU 32 -1.630 -0.159 -11.512 1.00 0.00 ATOM 228 CB LEU 32 -1.610 0.015 -9.992 1.00 0.00 ATOM 229 CG LEU 32 -1.220 -1.218 -9.174 1.00 0.00 ATOM 230 CD1 LEU 32 -1.064 -0.861 -7.704 1.00 0.00 ATOM 231 CD2 LEU 32 -2.285 -2.298 -9.290 1.00 0.00 ATOM 232 O LEU 32 -3.543 1.037 -12.324 1.00 0.00 ATOM 233 C LEU 32 -2.327 1.059 -12.101 1.00 0.00 ATOM 234 N LYS 33 -1.561 2.125 -12.333 1.00 0.00 ATOM 235 CA LYS 33 -2.096 3.321 -12.993 1.00 0.00 ATOM 236 CB LYS 33 -0.996 4.366 -13.186 1.00 0.00 ATOM 237 CG LYS 33 -0.527 5.018 -11.894 1.00 0.00 ATOM 238 CD LYS 33 0.562 6.044 -12.158 1.00 0.00 ATOM 239 CE LYS 33 1.048 6.679 -10.865 1.00 0.00 ATOM 240 NZ LYS 33 2.140 7.663 -11.105 1.00 0.00 ATOM 241 O LYS 33 -3.723 3.497 -14.711 1.00 0.00 ATOM 242 C LYS 33 -2.664 2.992 -14.345 1.00 0.00 ATOM 243 N THR 34 -1.959 2.146 -15.101 1.00 0.00 ATOM 244 CA THR 34 -2.453 1.665 -16.410 1.00 0.00 ATOM 245 CB THR 34 -1.445 0.713 -17.081 1.00 0.00 ATOM 246 CG2 THR 34 -1.993 0.201 -18.404 1.00 0.00 ATOM 247 OG1 THR 34 -0.217 1.409 -17.325 1.00 0.00 ATOM 248 O THR 34 -4.581 0.919 -17.221 1.00 0.00 ATOM 249 C THR 34 -3.788 0.890 -16.304 1.00 0.00 ATOM 250 N GLU 35 -4.030 0.233 -15.168 1.00 0.00 ATOM 251 CA GLU 35 -5.310 -0.434 -14.877 1.00 0.00 ATOM 252 CB GLU 35 -5.072 -1.754 -14.141 1.00 0.00 ATOM 253 CG GLU 35 -4.352 -2.806 -14.970 1.00 0.00 ATOM 254 CD GLU 35 -4.105 -4.087 -14.198 1.00 0.00 ATOM 255 OE1 GLU 35 -4.566 -4.182 -13.042 1.00 0.00 ATOM 256 OE2 GLU 35 -3.453 -4.997 -14.751 1.00 0.00 ATOM 257 O GLU 35 -7.242 -0.147 -13.434 1.00 0.00 ATOM 258 C GLU 35 -6.273 0.394 -13.989 1.00 0.00 ATOM 259 N PHE 36 -5.985 1.685 -13.830 1.00 0.00 ATOM 260 CA PHE 36 -6.782 2.569 -12.992 1.00 0.00 ATOM 261 CB PHE 36 -8.113 2.895 -13.672 1.00 0.00 ATOM 262 CG PHE 36 -7.964 3.550 -15.015 1.00 0.00 ATOM 263 CD1 PHE 36 -8.130 2.821 -16.180 1.00 0.00 ATOM 264 CD2 PHE 36 -7.659 4.897 -15.114 1.00 0.00 ATOM 265 CE1 PHE 36 -7.992 3.424 -17.416 1.00 0.00 ATOM 266 CE2 PHE 36 -7.520 5.500 -16.351 1.00 0.00 ATOM 267 CZ PHE 36 -7.687 4.770 -17.499 1.00 0.00 ATOM 268 O PHE 36 -8.281 2.035 -11.185 1.00 0.00 ATOM 269 C PHE 36 -7.120 1.984 -11.621 1.00 0.00 ATOM 270 N SER 37 -6.122 1.389 -10.957 1.00 0.00 ATOM 271 CA SER 37 -6.328 0.834 -9.616 1.00 0.00 ATOM 272 CB SER 37 -6.392 -0.694 -9.673 1.00 0.00 ATOM 273 OG SER 37 -5.205 -1.235 -10.227 1.00 0.00 ATOM 274 O SER 37 -5.106 0.603 -7.574 1.00 0.00 ATOM 275 C SER 37 -5.226 1.196 -8.655 1.00 0.00 ATOM 276 N GLU 38 -4.470 2.233 -8.980 1.00 0.00 ATOM 277 CA GLU 38 -3.306 2.608 -8.152 1.00 0.00 ATOM 278 CB GLU 38 -2.515 3.736 -8.818 1.00 0.00 ATOM 279 CG GLU 38 -3.251 5.065 -8.862 1.00 0.00 ATOM 280 CD GLU 38 -4.209 5.163 -10.031 1.00 0.00 ATOM 281 OE1 GLU 38 -4.415 4.139 -10.718 1.00 0.00 ATOM 282 OE2 GLU 38 -4.758 6.261 -10.262 1.00 0.00 ATOM 283 O GLU 38 -2.819 3.131 -5.861 1.00 0.00 ATOM 284 C GLU 38 -3.664 3.102 -6.745 1.00 0.00 ATOM 285 N GLU 39 -4.926 3.432 -6.507 1.00 0.00 ATOM 286 CA GLU 39 -5.334 3.880 -5.164 1.00 0.00 ATOM 287 CB GLU 39 -6.793 4.346 -5.176 1.00 0.00 ATOM 288 CG GLU 39 -7.033 5.605 -5.993 1.00 0.00 ATOM 289 CD GLU 39 -7.151 5.323 -7.477 1.00 0.00 ATOM 290 OE1 GLU 39 -7.075 4.138 -7.866 1.00 0.00 ATOM 291 OE2 GLU 39 -7.322 6.287 -8.253 1.00 0.00 ATOM 292 O GLU 39 -5.012 3.076 -2.937 1.00 0.00 ATOM 293 C GLU 39 -5.226 2.789 -4.108 1.00 0.00 ATOM 294 N ASN 40 -5.326 1.534 -4.507 1.00 0.00 ATOM 295 CA ASN 40 -5.134 0.445 -3.543 1.00 0.00 ATOM 296 CB ASN 40 -5.364 -0.910 -4.214 1.00 0.00 ATOM 297 CG ASN 40 -6.829 -1.177 -4.501 1.00 0.00 ATOM 298 ND2 ASN 40 -7.093 -2.099 -5.420 1.00 0.00 ATOM 299 OD1 ASN 40 -7.712 -0.560 -3.903 1.00 0.00 ATOM 300 O ASN 40 -3.505 0.262 -1.762 1.00 0.00 ATOM 301 C ASN 40 -3.713 0.452 -2.967 1.00 0.00 ATOM 302 N ILE 41 -2.746 0.722 -3.830 1.00 0.00 ATOM 303 CA ILE 41 -1.372 0.752 -3.410 1.00 0.00 ATOM 304 CB ILE 41 -0.412 0.647 -4.610 1.00 0.00 ATOM 305 CG1 ILE 41 -0.645 -0.663 -5.366 1.00 0.00 ATOM 306 CG2 ILE 41 1.034 0.679 -4.140 1.00 0.00 ATOM 307 CD1 ILE 41 -0.438 -1.901 -4.520 1.00 0.00 ATOM 308 O ILE 41 -0.384 1.991 -1.669 1.00 0.00 ATOM 309 C ILE 41 -1.035 2.031 -2.680 1.00 0.00 ATOM 310 N GLU 42 -1.486 3.172 -3.188 1.00 0.00 ATOM 311 CA GLU 42 -1.398 4.410 -2.416 1.00 0.00 ATOM 312 CB GLU 42 -2.182 5.528 -3.106 1.00 0.00 ATOM 313 CG GLU 42 -1.524 6.057 -4.371 1.00 0.00 ATOM 314 CD GLU 42 -2.364 7.108 -5.068 1.00 0.00 ATOM 315 OE1 GLU 42 -3.496 7.366 -4.607 1.00 0.00 ATOM 316 OE2 GLU 42 -1.891 7.675 -6.075 1.00 0.00 ATOM 317 O GLU 42 -1.408 4.763 -0.011 1.00 0.00 ATOM 318 C GLU 42 -1.971 4.265 -0.981 1.00 0.00 ATOM 319 N PHE 43 -3.099 3.599 -0.830 1.00 0.00 ATOM 320 CA PHE 43 -3.730 3.494 0.480 1.00 0.00 ATOM 321 CB PHE 43 -5.117 2.861 0.357 1.00 0.00 ATOM 322 CG PHE 43 -5.827 2.693 1.670 1.00 0.00 ATOM 323 CD1 PHE 43 -6.445 3.769 2.281 1.00 0.00 ATOM 324 CD2 PHE 43 -5.873 1.460 2.296 1.00 0.00 ATOM 325 CE1 PHE 43 -7.097 3.617 3.490 1.00 0.00 ATOM 326 CE2 PHE 43 -6.526 1.306 3.505 1.00 0.00 ATOM 327 CZ PHE 43 -7.136 2.377 4.102 1.00 0.00 ATOM 328 O PHE 43 -2.552 2.939 2.495 1.00 0.00 ATOM 329 C PHE 43 -2.836 2.621 1.359 1.00 0.00 ATOM 330 N TRP 44 -2.402 1.525 0.779 1.00 0.00 ATOM 331 CA TRP 44 -1.553 0.543 1.471 1.00 0.00 ATOM 332 CB TRP 44 -1.176 -0.600 0.526 1.00 0.00 ATOM 333 CG TRP 44 -0.321 -1.650 1.168 1.00 0.00 ATOM 334 CD1 TRP 44 -0.747 -2.723 1.895 1.00 0.00 ATOM 335 CD2 TRP 44 1.111 -1.727 1.138 1.00 0.00 ATOM 336 CE2 TRP 44 1.481 -2.872 1.869 1.00 0.00 ATOM 337 CE3 TRP 44 2.114 -0.939 0.565 1.00 0.00 ATOM 338 NE1 TRP 44 0.329 -3.465 2.322 1.00 0.00 ATOM 339 CZ2 TRP 44 2.811 -3.251 2.042 1.00 0.00 ATOM 340 CZ3 TRP 44 3.431 -1.317 0.739 1.00 0.00 ATOM 341 CH2 TRP 44 3.771 -2.461 1.470 1.00 0.00 ATOM 342 O TRP 44 0.127 1.006 3.099 1.00 0.00 ATOM 343 C TRP 44 -0.274 1.202 1.964 1.00 0.00 ATOM 344 N ILE 45 0.354 1.997 1.099 1.00 0.00 ATOM 345 CA ILE 45 1.585 2.640 1.422 1.00 0.00 ATOM 346 CB ILE 45 2.201 3.329 0.190 1.00 0.00 ATOM 347 CG1 ILE 45 2.647 2.287 -0.837 1.00 0.00 ATOM 348 CG2 ILE 45 3.411 4.158 0.592 1.00 0.00 ATOM 349 CD1 ILE 45 3.019 2.875 -2.181 1.00 0.00 ATOM 350 O ILE 45 2.226 3.863 3.303 1.00 0.00 ATOM 351 C ILE 45 1.372 3.695 2.484 1.00 0.00 ATOM 352 N ALA 46 0.246 4.425 2.422 1.00 0.00 ATOM 353 CA ALA 46 -0.171 5.391 3.454 1.00 0.00 ATOM 354 CB ALA 46 -1.522 5.992 3.101 1.00 0.00 ATOM 355 O ALA 46 0.177 5.279 5.871 1.00 0.00 ATOM 356 C ALA 46 -0.306 4.762 4.850 1.00 0.00 ATOM 357 N CYS 47 -0.905 3.599 4.873 1.00 0.00 ATOM 358 CA CYS 47 -1.029 2.839 6.120 1.00 0.00 ATOM 359 CB CYS 47 -1.831 1.558 5.889 1.00 0.00 ATOM 360 SG CYS 47 -3.585 1.826 5.540 1.00 0.00 ATOM 361 O CYS 47 0.564 2.516 7.908 1.00 0.00 ATOM 362 C CYS 47 0.333 2.439 6.683 1.00 0.00 ATOM 363 N GLU 48 1.241 2.022 5.806 1.00 0.00 ATOM 364 CA GLU 48 2.575 1.570 6.271 1.00 0.00 ATOM 365 CB GLU 48 3.397 1.030 5.097 1.00 0.00 ATOM 366 CG GLU 48 4.760 0.486 5.493 1.00 0.00 ATOM 367 CD GLU 48 5.521 -0.091 4.315 1.00 0.00 ATOM 368 OE1 GLU 48 4.973 -0.082 3.192 1.00 0.00 ATOM 369 OE2 GLU 48 6.663 -0.553 4.515 1.00 0.00 ATOM 370 O GLU 48 3.959 2.550 7.863 1.00 0.00 ATOM 371 C GLU 48 3.306 2.733 6.891 1.00 0.00 ATOM 372 N ASP 49 3.193 3.919 6.298 1.00 0.00 ATOM 373 CA ASP 49 3.823 5.118 6.884 1.00 0.00 ATOM 374 CB ASP 49 3.802 6.277 5.885 1.00 0.00 ATOM 375 CG ASP 49 4.789 6.086 4.751 1.00 0.00 ATOM 376 OD1 ASP 49 5.656 5.195 4.860 1.00 0.00 ATOM 377 OD2 ASP 49 4.695 6.830 3.751 1.00 0.00 ATOM 378 O ASP 49 3.821 5.971 9.126 1.00 0.00 ATOM 379 C ASP 49 3.135 5.633 8.167 1.00 0.00 ATOM 380 N PHE 50 1.811 5.593 8.203 1.00 0.00 ATOM 381 CA PHE 50 0.971 5.911 9.375 1.00 0.00 ATOM 382 CB PHE 50 -0.501 5.622 9.074 1.00 0.00 ATOM 383 CG PHE 50 -1.418 5.877 10.235 1.00 0.00 ATOM 384 CD1 PHE 50 -1.844 7.161 10.532 1.00 0.00 ATOM 385 CD2 PHE 50 -1.856 4.834 11.032 1.00 0.00 ATOM 386 CE1 PHE 50 -2.688 7.394 11.600 1.00 0.00 ATOM 387 CE2 PHE 50 -2.699 5.068 12.102 1.00 0.00 ATOM 388 CZ PHE 50 -3.116 6.342 12.386 1.00 0.00 ATOM 389 O PHE 50 1.501 5.653 11.737 1.00 0.00 ATOM 390 C PHE 50 1.332 5.108 10.624 1.00 0.00 ATOM 391 N LYS 51 1.459 3.810 10.468 1.00 0.00 ATOM 392 CA LYS 51 1.722 2.963 11.623 1.00 0.00 ATOM 393 CB LYS 51 1.641 1.485 11.233 1.00 0.00 ATOM 394 CG LYS 51 0.246 1.024 10.841 1.00 0.00 ATOM 395 CD LYS 51 0.237 -0.452 10.477 1.00 0.00 ATOM 396 CE LYS 51 -1.160 -0.917 10.095 1.00 0.00 ATOM 397 NZ LYS 51 -1.182 -2.360 9.724 1.00 0.00 ATOM 398 O LYS 51 3.302 2.595 13.343 1.00 0.00 ATOM 399 C LYS 51 3.068 3.136 12.270 1.00 0.00 ATOM 400 N LYS 52 3.942 3.932 11.679 1.00 0.00 ATOM 401 CA LYS 52 5.203 4.247 12.329 1.00 0.00 ATOM 402 CB LYS 52 6.291 4.513 11.285 1.00 0.00 ATOM 403 CG LYS 52 6.657 3.299 10.447 1.00 0.00 ATOM 404 CD LYS 52 7.709 3.644 9.408 1.00 0.00 ATOM 405 CE LYS 52 8.082 2.427 8.575 1.00 0.00 ATOM 406 NZ LYS 52 9.135 2.742 7.571 1.00 0.00 ATOM 407 O LYS 52 5.997 5.835 13.930 1.00 0.00 ATOM 408 C LYS 52 5.077 5.507 13.219 1.00 0.00 ATOM 409 N SER 53 3.959 6.234 13.120 1.00 0.00 ATOM 410 CA SER 53 3.794 7.480 13.853 1.00 0.00 ATOM 411 CB SER 53 2.626 8.288 13.280 1.00 0.00 ATOM 412 OG SER 53 2.385 9.451 14.052 1.00 0.00 ATOM 413 O SER 53 2.674 6.316 15.552 1.00 0.00 ATOM 414 C SER 53 3.520 7.155 15.282 1.00 0.00 ATOM 415 N LYS 54 4.234 7.783 16.222 1.00 0.00 ATOM 416 CA LYS 54 4.102 7.477 17.661 1.00 0.00 ATOM 417 CB LYS 54 5.479 7.436 18.328 1.00 0.00 ATOM 418 CG LYS 54 6.367 6.300 17.848 1.00 0.00 ATOM 419 CD LYS 54 7.709 6.309 18.563 1.00 0.00 ATOM 420 CE LYS 54 8.628 5.224 18.024 1.00 0.00 ATOM 421 NZ LYS 54 9.989 5.304 18.622 1.00 0.00 ATOM 422 O LYS 54 2.693 8.099 19.461 1.00 0.00 ATOM 423 C LYS 54 3.285 8.467 18.459 1.00 0.00 ATOM 424 N GLY 55 3.297 9.738 18.051 1.00 0.00 ATOM 425 CA GLY 55 2.533 10.787 18.781 1.00 0.00 ATOM 426 O GLY 55 0.570 10.435 17.477 1.00 0.00 ATOM 427 C GLY 55 1.037 10.621 18.599 1.00 0.00 ATOM 428 N PRO 56 0.271 10.776 19.673 1.00 0.00 ATOM 429 CA PRO 56 -1.205 10.632 19.571 1.00 0.00 ATOM 430 CB PRO 56 -1.694 10.801 21.011 1.00 0.00 ATOM 431 CG PRO 56 -0.550 10.343 21.850 1.00 0.00 ATOM 432 CD PRO 56 0.694 10.820 21.153 1.00 0.00 ATOM 433 O PRO 56 -2.793 11.324 17.934 1.00 0.00 ATOM 434 C PRO 56 -1.845 11.664 18.670 1.00 0.00 ATOM 435 N GLN 57 -1.404 12.923 18.761 1.00 0.00 ATOM 436 CA GLN 57 -1.980 13.983 17.931 1.00 0.00 ATOM 437 CB GLN 57 -1.464 15.353 18.379 1.00 0.00 ATOM 438 CG GLN 57 -1.992 15.804 19.732 1.00 0.00 ATOM 439 CD GLN 57 -1.376 17.110 20.192 1.00 0.00 ATOM 440 OE1 GLN 57 -0.471 17.641 19.550 1.00 0.00 ATOM 441 NE2 GLN 57 -1.865 17.632 21.311 1.00 0.00 ATOM 442 O GLN 57 -2.501 14.151 15.591 1.00 0.00 ATOM 443 C GLN 57 -1.647 13.856 16.434 1.00 0.00 ATOM 444 N GLN 58 -0.436 13.410 16.105 1.00 0.00 ATOM 445 CA GLN 58 -0.064 13.220 14.681 1.00 0.00 ATOM 446 CB GLN 58 1.448 13.028 14.542 1.00 0.00 ATOM 447 CG GLN 58 2.260 14.281 14.831 1.00 0.00 ATOM 448 CD GLN 58 3.753 14.039 14.745 1.00 0.00 ATOM 449 OE1 GLN 58 4.198 12.914 14.506 1.00 0.00 ATOM 450 NE2 GLN 58 4.536 15.094 14.939 1.00 0.00 ATOM 451 O GLN 58 -1.177 11.958 12.985 1.00 0.00 ATOM 452 C GLN 58 -0.772 11.991 14.144 1.00 0.00 ATOM 453 N ILE 59 -0.953 10.986 15.007 1.00 0.00 ATOM 454 CA ILE 59 -1.749 9.849 14.634 1.00 0.00 ATOM 455 CB ILE 59 -1.828 8.817 15.773 1.00 0.00 ATOM 456 CG1 ILE 59 -0.459 8.179 16.012 1.00 0.00 ATOM 457 CG2 ILE 59 -2.819 7.716 15.427 1.00 0.00 ATOM 458 CD1 ILE 59 -0.381 7.358 17.281 1.00 0.00 ATOM 459 O ILE 59 -3.727 9.871 13.224 1.00 0.00 ATOM 460 C ILE 59 -3.212 10.246 14.275 1.00 0.00 ATOM 461 N HIS 60 -3.881 10.964 15.152 1.00 0.00 ATOM 462 CA HIS 60 -5.231 11.429 14.879 1.00 0.00 ATOM 463 CB HIS 60 -5.734 12.313 16.022 1.00 0.00 ATOM 464 CG HIS 60 -7.100 12.881 15.791 1.00 0.00 ATOM 465 CD2 HIS 60 -7.636 14.189 15.443 1.00 0.00 ATOM 466 ND1 HIS 60 -8.246 12.123 15.889 1.00 0.00 ATOM 467 CE1 HIS 60 -9.310 12.903 15.629 1.00 0.00 ATOM 468 NE2 HIS 60 -8.951 14.144 15.361 1.00 0.00 ATOM 469 O HIS 60 -6.245 11.981 12.789 1.00 0.00 ATOM 470 C HIS 60 -5.342 12.243 13.612 1.00 0.00 ATOM 471 N LEU 61 -4.416 13.168 13.418 1.00 0.00 ATOM 472 CA LEU 61 -4.422 14.036 12.201 1.00 0.00 ATOM 473 CB LEU 61 -3.304 15.080 12.281 1.00 0.00 ATOM 474 CG LEU 61 -3.180 16.031 11.090 1.00 0.00 ATOM 475 CD1 LEU 61 -4.445 16.860 10.930 1.00 0.00 ATOM 476 CD2 LEU 61 -2.009 16.983 11.283 1.00 0.00 ATOM 477 O LEU 61 -4.982 13.378 9.933 1.00 0.00 ATOM 478 C LEU 61 -4.210 13.253 10.883 1.00 0.00 ATOM 479 N LYS 62 -3.222 12.373 10.855 1.00 0.00 ATOM 480 CA LYS 62 -3.006 11.516 9.689 1.00 0.00 ATOM 481 CB LYS 62 -1.727 10.693 9.857 1.00 0.00 ATOM 482 CG LYS 62 -0.448 11.511 9.771 1.00 0.00 ATOM 483 CD LYS 62 0.781 10.633 9.943 1.00 0.00 ATOM 484 CE LYS 62 2.058 11.456 9.891 1.00 0.00 ATOM 485 NZ LYS 62 3.270 10.611 10.081 1.00 0.00 ATOM 486 O LYS 62 -4.529 10.272 8.318 1.00 0.00 ATOM 487 C LYS 62 -4.152 10.534 9.466 1.00 0.00 ATOM 488 N ALA 63 -4.672 9.915 10.546 1.00 0.00 ATOM 489 CA ALA 63 -5.801 9.046 10.418 1.00 0.00 ATOM 490 CB ALA 63 -6.232 8.532 11.782 1.00 0.00 ATOM 491 O ALA 63 -7.648 9.213 8.907 1.00 0.00 ATOM 492 C ALA 63 -7.002 9.746 9.790 1.00 0.00 ATOM 493 N LYS 64 -7.280 10.977 10.184 1.00 0.00 ATOM 494 CA LYS 64 -8.376 11.679 9.543 1.00 0.00 ATOM 495 CB LYS 64 -8.647 13.009 10.251 1.00 0.00 ATOM 496 CG LYS 64 -9.823 13.785 9.683 1.00 0.00 ATOM 497 CD LYS 64 -10.093 15.045 10.488 1.00 0.00 ATOM 498 CE LYS 64 -11.255 15.835 9.906 1.00 0.00 ATOM 499 NZ LYS 64 -11.518 17.083 10.673 1.00 0.00 ATOM 500 O LYS 64 -8.934 11.849 7.203 1.00 0.00 ATOM 501 C LYS 64 -8.071 11.989 8.058 1.00 0.00 ATOM 502 N ALA 65 -6.828 12.359 7.758 1.00 0.00 ATOM 503 CA ALA 65 -6.405 12.613 6.344 1.00 0.00 ATOM 504 CB ALA 65 -4.926 12.966 6.290 1.00 0.00 ATOM 505 O ALA 65 -7.188 11.498 4.373 1.00 0.00 ATOM 506 C ALA 65 -6.625 11.392 5.457 1.00 0.00 ATOM 507 N ILE 66 -6.204 10.236 5.959 1.00 0.00 ATOM 508 CA ILE 66 -6.294 8.956 5.229 1.00 0.00 ATOM 509 CB ILE 66 -5.533 7.835 5.960 1.00 0.00 ATOM 510 CG1 ILE 66 -4.029 8.107 5.938 1.00 0.00 ATOM 511 CG2 ILE 66 -5.790 6.492 5.292 1.00 0.00 ATOM 512 CD1 ILE 66 -3.231 7.204 6.852 1.00 0.00 ATOM 513 O ILE 66 -8.135 7.968 4.021 1.00 0.00 ATOM 514 C ILE 66 -7.743 8.489 5.070 1.00 0.00 ATOM 515 N TYR 67 -8.539 8.630 6.120 1.00 0.00 ATOM 516 CA TYR 67 -9.936 8.243 6.057 1.00 0.00 ATOM 517 CB TYR 67 -10.620 8.477 7.406 1.00 0.00 ATOM 518 CG TYR 67 -12.090 8.124 7.417 1.00 0.00 ATOM 519 CD1 TYR 67 -12.502 6.801 7.511 1.00 0.00 ATOM 520 CD2 TYR 67 -13.060 9.115 7.333 1.00 0.00 ATOM 521 CE1 TYR 67 -13.845 6.469 7.522 1.00 0.00 ATOM 522 CE2 TYR 67 -14.406 8.802 7.342 1.00 0.00 ATOM 523 CZ TYR 67 -14.793 7.465 7.439 1.00 0.00 ATOM 524 OH TYR 67 -16.130 7.138 7.449 1.00 0.00 ATOM 525 O TYR 67 -11.370 8.618 4.132 1.00 0.00 ATOM 526 C TYR 67 -10.630 9.107 4.960 1.00 0.00 ATOM 527 N GLU 68 -10.334 10.377 4.932 1.00 0.00 ATOM 528 CA GLU 68 -11.047 11.291 3.989 1.00 0.00 ATOM 529 CB GLU 68 -10.773 12.752 4.350 1.00 0.00 ATOM 530 CG GLU 68 -11.428 13.205 5.645 1.00 0.00 ATOM 531 CD GLU 68 -11.061 14.628 6.017 1.00 0.00 ATOM 532 OE1 GLU 68 -10.245 15.239 5.296 1.00 0.00 ATOM 533 OE2 GLU 68 -11.590 15.132 7.031 1.00 0.00 ATOM 534 O GLU 68 -11.433 11.253 1.612 1.00 0.00 ATOM 535 C GLU 68 -10.609 11.086 2.540 1.00 0.00 ATOM 536 N LYS 69 -9.374 10.641 2.343 1.00 0.00 ATOM 537 CA LYS 69 -8.813 10.431 0.978 1.00 0.00 ATOM 538 CB LYS 69 -7.288 10.553 1.002 1.00 0.00 ATOM 539 CG LYS 69 -6.783 11.944 1.351 1.00 0.00 ATOM 540 CD LYS 69 -5.264 12.005 1.310 1.00 0.00 ATOM 541 CE LYS 69 -4.758 13.389 1.686 1.00 0.00 ATOM 542 NZ LYS 69 -3.270 13.456 1.681 1.00 0.00 ATOM 543 O LYS 69 -9.285 8.880 -0.781 1.00 0.00 ATOM 544 C LYS 69 -9.161 9.037 0.422 1.00 0.00 ATOM 545 N PHE 70 -9.272 8.026 1.279 1.00 0.00 ATOM 546 CA PHE 70 -9.299 6.621 0.810 1.00 0.00 ATOM 547 CB PHE 70 -8.053 5.872 1.290 1.00 0.00 ATOM 548 CG PHE 70 -6.765 6.450 0.778 1.00 0.00 ATOM 549 CD1 PHE 70 -5.976 7.246 1.590 1.00 0.00 ATOM 550 CD2 PHE 70 -6.340 6.196 -0.515 1.00 0.00 ATOM 551 CE1 PHE 70 -4.790 7.778 1.120 1.00 0.00 ATOM 552 CE2 PHE 70 -5.154 6.729 -0.984 1.00 0.00 ATOM 553 CZ PHE 70 -4.380 7.516 -0.173 1.00 0.00 ATOM 554 O PHE 70 -10.830 4.823 0.671 1.00 0.00 ATOM 555 C PHE 70 -10.493 5.811 1.294 1.00 0.00 ATOM 556 N ILE 71 -11.078 6.171 2.435 1.00 0.00 ATOM 557 CA ILE 71 -12.027 5.234 3.111 1.00 0.00 ATOM 558 CB ILE 71 -11.697 5.080 4.607 1.00 0.00 ATOM 559 CG1 ILE 71 -10.263 4.580 4.789 1.00 0.00 ATOM 560 CG2 ILE 71 -12.643 4.084 5.262 1.00 0.00 ATOM 561 CD1 ILE 71 -10.005 3.227 4.162 1.00 0.00 ATOM 562 O ILE 71 -14.387 4.884 2.806 1.00 0.00 ATOM 563 C ILE 71 -13.483 5.702 3.027 1.00 0.00 ATOM 564 N GLN 72 -13.720 6.986 3.199 1.00 0.00 ATOM 565 CA GLN 72 -15.075 7.506 3.263 1.00 0.00 ATOM 566 CB GLN 72 -15.061 8.993 3.626 1.00 0.00 ATOM 567 CG GLN 72 -16.443 9.608 3.775 1.00 0.00 ATOM 568 CD GLN 72 -16.390 11.063 4.198 1.00 0.00 ATOM 569 OE1 GLN 72 -15.317 11.602 4.469 1.00 0.00 ATOM 570 NE2 GLN 72 -17.553 11.703 4.254 1.00 0.00 ATOM 571 O GLN 72 -15.284 7.494 0.849 1.00 0.00 ATOM 572 C GLN 72 -15.852 7.388 1.954 1.00 0.00 ATOM 573 N THR 73 -17.153 7.202 2.060 1.00 0.00 ATOM 574 CA THR 73 -17.999 7.170 0.894 1.00 0.00 ATOM 575 CB THR 73 -19.489 7.121 1.279 1.00 0.00 ATOM 576 CG2 THR 73 -20.358 7.034 0.034 1.00 0.00 ATOM 577 OG1 THR 73 -19.736 5.971 2.098 1.00 0.00 ATOM 578 O THR 73 -17.652 9.524 0.654 1.00 0.00 ATOM 579 C THR 73 -17.725 8.440 0.084 1.00 0.00 ATOM 580 N ASP 74 -17.487 8.279 -1.218 1.00 0.00 ATOM 581 CA ASP 74 -17.186 9.364 -2.146 1.00 0.00 ATOM 582 CB ASP 74 -18.256 10.455 -2.060 1.00 0.00 ATOM 583 CG ASP 74 -19.631 9.954 -2.451 1.00 0.00 ATOM 584 OD1 ASP 74 -19.745 9.288 -3.503 1.00 0.00 ATOM 585 OD2 ASP 74 -20.596 10.226 -1.708 1.00 0.00 ATOM 586 O ASP 74 -15.555 11.126 -2.387 1.00 0.00 ATOM 587 C ASP 74 -15.827 10.044 -1.872 1.00 0.00 ATOM 588 N ALA 75 -14.951 9.396 -1.106 1.00 0.00 ATOM 589 CA ALA 75 -13.541 9.803 -0.999 1.00 0.00 ATOM 590 CB ALA 75 -12.754 8.783 -0.192 1.00 0.00 ATOM 591 O ALA 75 -13.269 9.145 -3.310 1.00 0.00 ATOM 592 C ALA 75 -12.920 9.909 -2.409 1.00 0.00 ATOM 593 N PRO 76 -11.987 10.839 -2.612 1.00 0.00 ATOM 594 CA PRO 76 -11.399 10.954 -3.952 1.00 0.00 ATOM 595 CB PRO 76 -10.434 12.135 -3.833 1.00 0.00 ATOM 596 CG PRO 76 -10.996 12.968 -2.730 1.00 0.00 ATOM 597 CD PRO 76 -11.555 12.003 -1.723 1.00 0.00 ATOM 598 O PRO 76 -10.558 9.458 -5.622 1.00 0.00 ATOM 599 C PRO 76 -10.638 9.703 -4.432 1.00 0.00 ATOM 600 N LYS 77 -10.082 8.926 -3.524 1.00 0.00 ATOM 601 CA LYS 77 -9.428 7.665 -3.855 1.00 0.00 ATOM 602 CB LYS 77 -7.940 7.724 -3.504 1.00 0.00 ATOM 603 CG LYS 77 -7.144 8.715 -4.338 1.00 0.00 ATOM 604 CD LYS 77 -5.658 8.624 -4.033 1.00 0.00 ATOM 605 CE LYS 77 -4.877 9.705 -4.765 1.00 0.00 ATOM 606 NZ LYS 77 -3.424 9.653 -4.444 1.00 0.00 ATOM 607 O LYS 77 -9.317 5.621 -2.570 1.00 0.00 ATOM 608 C LYS 77 -10.036 6.492 -3.096 1.00 0.00 ATOM 609 N GLU 78 -11.359 6.455 -3.075 1.00 0.00 ATOM 610 CA GLU 78 -12.104 5.487 -2.301 1.00 0.00 ATOM 611 CB GLU 78 -13.607 5.667 -2.522 1.00 0.00 ATOM 612 CG GLU 78 -14.475 4.787 -1.635 1.00 0.00 ATOM 613 CD GLU 78 -15.956 5.033 -1.842 1.00 0.00 ATOM 614 OE1 GLU 78 -16.303 5.958 -2.606 1.00 0.00 ATOM 615 OE2 GLU 78 -16.769 4.300 -1.241 1.00 0.00 ATOM 616 O GLU 78 -11.743 3.749 -3.923 1.00 0.00 ATOM 617 C GLU 78 -11.700 4.073 -2.734 1.00 0.00 ATOM 618 N VAL 79 -11.263 3.277 -1.777 1.00 0.00 ATOM 619 CA VAL 79 -10.941 1.890 -2.059 1.00 0.00 ATOM 620 CB VAL 79 -9.875 1.349 -1.089 1.00 0.00 ATOM 621 CG1 VAL 79 -8.585 2.145 -1.215 1.00 0.00 ATOM 622 CG2 VAL 79 -10.364 1.450 0.349 1.00 0.00 ATOM 623 O VAL 79 -13.159 1.397 -1.261 1.00 0.00 ATOM 624 C VAL 79 -12.182 1.026 -1.926 1.00 0.00 ATOM 625 N ASN 80 -12.131 -0.147 -2.537 1.00 0.00 ATOM 626 CA ASN 80 -13.288 -0.996 -2.634 1.00 0.00 ATOM 627 CB ASN 80 -13.190 -1.896 -3.869 1.00 0.00 ATOM 628 CG ASN 80 -14.454 -2.699 -4.105 1.00 0.00 ATOM 629 ND2 ASN 80 -14.625 -3.183 -5.331 1.00 0.00 ATOM 630 OD1 ASN 80 -15.265 -2.881 -3.198 1.00 0.00 ATOM 631 O ASN 80 -12.988 -3.039 -1.398 1.00 0.00 ATOM 632 C ASN 80 -13.424 -1.902 -1.388 1.00 0.00 ATOM 633 N LEU 81 -14.081 -1.378 -0.347 1.00 0.00 ATOM 634 CA LEU 81 -14.294 -2.111 0.879 1.00 0.00 ATOM 635 CB LEU 81 -13.476 -1.500 2.018 1.00 0.00 ATOM 636 CG LEU 81 -11.956 -1.496 1.834 1.00 0.00 ATOM 637 CD1 LEU 81 -11.282 -0.710 2.947 1.00 0.00 ATOM 638 CD2 LEU 81 -11.408 -2.915 1.853 1.00 0.00 ATOM 639 O LEU 81 -16.567 -1.210 0.810 1.00 0.00 ATOM 640 C LEU 81 -15.776 -2.070 1.266 1.00 0.00 ATOM 641 N ASP 82 -16.156 -3.009 2.120 1.00 0.00 ATOM 642 CA ASP 82 -17.543 -3.120 2.553 1.00 0.00 ATOM 643 CB ASP 82 -17.839 -4.542 3.036 1.00 0.00 ATOM 644 CG ASP 82 -17.900 -5.543 1.899 1.00 0.00 ATOM 645 OD1 ASP 82 -17.961 -5.110 0.729 1.00 0.00 ATOM 646 OD2 ASP 82 -17.887 -6.761 2.179 1.00 0.00 ATOM 647 O ASP 82 -17.024 -1.656 4.334 1.00 0.00 ATOM 648 C ASP 82 -17.898 -2.209 3.670 1.00 0.00 ATOM 649 N PHE 83 -19.210 -2.006 3.838 1.00 0.00 ATOM 650 CA PHE 83 -19.709 -1.035 4.809 1.00 0.00 ATOM 651 CB PHE 83 -21.232 -1.128 4.925 1.00 0.00 ATOM 652 CG PHE 83 -21.822 -0.182 5.934 1.00 0.00 ATOM 653 CD1 PHE 83 -22.048 1.144 5.611 1.00 0.00 ATOM 654 CD2 PHE 83 -22.150 -0.621 7.204 1.00 0.00 ATOM 655 CE1 PHE 83 -22.590 2.014 6.539 1.00 0.00 ATOM 656 CE2 PHE 83 -22.693 0.248 8.131 1.00 0.00 ATOM 657 CZ PHE 83 -22.913 1.560 7.804 1.00 0.00 ATOM 658 O PHE 83 -18.741 -0.412 6.938 1.00 0.00 ATOM 659 C PHE 83 -19.099 -1.299 6.196 1.00 0.00 ATOM 660 N HIS 84 -18.978 -2.574 6.532 1.00 0.00 ATOM 661 CA HIS 84 -18.576 -2.940 7.860 1.00 0.00 ATOM 662 CB HIS 84 -18.641 -4.459 8.040 1.00 0.00 ATOM 663 CG HIS 84 -18.205 -4.924 9.394 1.00 0.00 ATOM 664 CD2 HIS 84 -17.045 -5.622 9.929 1.00 0.00 ATOM 665 ND1 HIS 84 -18.965 -4.732 10.528 1.00 0.00 ATOM 666 CE1 HIS 84 -18.317 -5.255 11.583 1.00 0.00 ATOM 667 NE2 HIS 84 -17.164 -5.791 11.231 1.00 0.00 ATOM 668 O HIS 84 -16.884 -1.939 9.205 1.00 0.00 ATOM 669 C HIS 84 -17.167 -2.500 8.153 1.00 0.00 ATOM 670 N THR 85 -16.268 -2.757 7.197 1.00 0.00 ATOM 671 CA THR 85 -14.882 -2.347 7.296 1.00 0.00 ATOM 672 CB THR 85 -14.054 -2.864 6.105 1.00 0.00 ATOM 673 CG2 THR 85 -12.614 -2.387 6.212 1.00 0.00 ATOM 674 OG1 THR 85 -14.069 -4.298 6.096 1.00 0.00 ATOM 675 O THR 85 -14.077 -0.256 8.118 1.00 0.00 ATOM 676 C THR 85 -14.812 -0.848 7.312 1.00 0.00 ATOM 677 N LYS 86 -15.627 -0.213 6.493 1.00 0.00 ATOM 678 CA LYS 86 -15.635 1.222 6.507 1.00 0.00 ATOM 679 CB LYS 86 -16.578 1.762 5.430 1.00 0.00 ATOM 680 CG LYS 86 -16.078 1.559 4.008 1.00 0.00 ATOM 681 CD LYS 86 -17.059 2.120 2.993 1.00 0.00 ATOM 682 CE LYS 86 -16.571 1.895 1.570 1.00 0.00 ATOM 683 NZ LYS 86 -17.538 2.410 0.563 1.00 0.00 ATOM 684 O LYS 86 -15.486 2.707 8.418 1.00 0.00 ATOM 685 C LYS 86 -16.110 1.806 7.874 1.00 0.00 ATOM 686 N GLU 87 -17.171 1.272 8.439 1.00 0.00 ATOM 687 CA GLU 87 -17.666 1.765 9.735 1.00 0.00 ATOM 688 CB GLU 87 -19.019 1.133 10.067 1.00 0.00 ATOM 689 CG GLU 87 -19.639 1.634 11.362 1.00 0.00 ATOM 690 CD GLU 87 -21.003 1.028 11.628 1.00 0.00 ATOM 691 OE1 GLU 87 -21.468 0.223 10.794 1.00 0.00 ATOM 692 OE2 GLU 87 -21.606 1.360 12.669 1.00 0.00 ATOM 693 O GLU 87 -16.593 2.259 11.819 1.00 0.00 ATOM 694 C GLU 87 -16.743 1.456 10.892 1.00 0.00 ATOM 695 N VAL 88 -16.115 0.290 10.864 1.00 0.00 ATOM 696 CA VAL 88 -15.099 0.012 11.857 1.00 0.00 ATOM 697 CB VAL 88 -14.432 -1.355 11.614 1.00 0.00 ATOM 698 CG1 VAL 88 -13.242 -1.539 12.542 1.00 0.00 ATOM 699 CG2 VAL 88 -15.419 -2.483 11.871 1.00 0.00 ATOM 700 O VAL 88 -13.564 1.571 12.911 1.00 0.00 ATOM 701 C VAL 88 -13.994 1.045 11.859 1.00 0.00 ATOM 702 N ILE 89 -13.526 1.357 10.663 1.00 0.00 ATOM 703 CA ILE 89 -12.447 2.281 10.497 1.00 0.00 ATOM 704 CB ILE 89 -12.050 2.426 9.016 1.00 0.00 ATOM 705 CG1 ILE 89 -11.511 1.100 8.476 1.00 0.00 ATOM 706 CG2 ILE 89 -10.971 3.485 8.855 1.00 0.00 ATOM 707 CD1 ILE 89 -10.268 0.612 9.186 1.00 0.00 ATOM 708 O ILE 89 -12.058 4.284 11.747 1.00 0.00 ATOM 709 C ILE 89 -12.831 3.657 11.009 1.00 0.00 ATOM 710 N THR 90 -14.030 4.108 10.673 1.00 0.00 ATOM 711 CA THR 90 -14.566 5.373 11.221 1.00 0.00 ATOM 712 CB THR 90 -15.994 5.649 10.714 1.00 0.00 ATOM 713 CG2 THR 90 -16.538 6.932 11.323 1.00 0.00 ATOM 714 OG1 THR 90 -15.979 5.781 9.288 1.00 0.00 ATOM 715 O THR 90 -14.434 6.446 13.321 1.00 0.00 ATOM 716 C THR 90 -14.653 5.416 12.732 1.00 0.00 ATOM 717 N ASN 91 -15.006 4.303 13.373 1.00 0.00 ATOM 718 CA ASN 91 -15.035 4.210 14.816 1.00 0.00 ATOM 719 CB ASN 91 -15.734 2.923 15.256 1.00 0.00 ATOM 720 CG ASN 91 -17.234 2.971 15.042 1.00 0.00 ATOM 721 ND2 ASN 91 -17.861 1.802 14.978 1.00 0.00 ATOM 722 OD1 ASN 91 -17.821 4.049 14.935 1.00 0.00 ATOM 723 O ASN 91 -13.416 4.699 16.517 1.00 0.00 ATOM 724 C ASN 91 -13.629 4.204 15.411 1.00 0.00 ATOM 725 N SER 92 -12.688 3.564 14.724 1.00 0.00 ATOM 726 CA SER 92 -11.286 3.607 15.146 1.00 0.00 ATOM 727 CB SER 92 -10.411 2.805 14.181 1.00 0.00 ATOM 728 OG SER 92 -10.743 1.428 14.216 1.00 0.00 ATOM 729 O SER 92 -9.841 5.309 16.011 1.00 0.00 ATOM 730 C SER 92 -10.726 5.007 15.193 1.00 0.00 ATOM 731 N ILE 93 -11.244 5.865 14.312 1.00 0.00 ATOM 732 CA ILE 93 -10.840 7.268 14.287 1.00 0.00 ATOM 733 CB ILE 93 -11.644 8.069 13.245 1.00 0.00 ATOM 734 CG1 ILE 93 -11.304 7.597 11.831 1.00 0.00 ATOM 735 CG2 ILE 93 -11.320 9.552 13.350 1.00 0.00 ATOM 736 CD1 ILE 93 -12.218 8.158 10.765 1.00 0.00 ATOM 737 O ILE 93 -10.368 8.965 15.818 1.00 0.00 ATOM 738 C ILE 93 -11.035 7.968 15.610 1.00 0.00 ATOM 739 N THR 94 -11.948 7.489 16.474 1.00 0.00 ATOM 740 CA THR 94 -12.283 8.207 17.710 1.00 0.00 ATOM 741 CB THR 94 -13.302 7.423 18.559 1.00 0.00 ATOM 742 CG2 THR 94 -13.603 8.168 19.850 1.00 0.00 ATOM 743 OG1 THR 94 -14.520 7.261 17.821 1.00 0.00 ATOM 744 O THR 94 -10.889 9.504 19.149 1.00 0.00 ATOM 745 C THR 94 -11.058 8.430 18.560 1.00 0.00 ATOM 746 N GLN 95 -10.206 7.413 18.616 1.00 0.00 ATOM 747 CA GLN 95 -8.909 7.519 19.278 1.00 0.00 ATOM 748 CB GLN 95 -8.976 6.926 20.687 1.00 0.00 ATOM 749 CG GLN 95 -9.903 7.674 21.631 1.00 0.00 ATOM 750 CD GLN 95 -9.405 9.070 21.950 1.00 0.00 ATOM 751 OE1 GLN 95 -8.199 9.306 22.030 1.00 0.00 ATOM 752 NE2 GLN 95 -10.335 10.000 22.134 1.00 0.00 ATOM 753 O GLN 95 -7.530 5.636 18.770 1.00 0.00 ATOM 754 C GLN 95 -7.904 6.753 18.446 1.00 0.00 ATOM 755 N PRO 96 -7.522 7.349 17.325 1.00 0.00 ATOM 756 CA PRO 96 -6.662 6.725 16.319 1.00 0.00 ATOM 757 CB PRO 96 -6.371 7.853 15.328 1.00 0.00 ATOM 758 CG PRO 96 -7.561 8.748 15.423 1.00 0.00 ATOM 759 CD PRO 96 -7.948 8.776 16.876 1.00 0.00 ATOM 760 O PRO 96 -4.568 6.924 17.424 1.00 0.00 ATOM 761 C PRO 96 -5.367 6.177 16.897 1.00 0.00 ATOM 762 N THR 97 -5.192 4.868 16.828 1.00 0.00 ATOM 763 CA THR 97 -3.943 4.214 17.228 1.00 0.00 ATOM 764 CB THR 97 -4.199 3.064 18.219 1.00 0.00 ATOM 765 CG2 THR 97 -4.998 3.558 19.415 1.00 0.00 ATOM 766 OG1 THR 97 -4.940 2.024 17.566 1.00 0.00 ATOM 767 O THR 97 -3.905 3.781 14.857 1.00 0.00 ATOM 768 C THR 97 -3.312 3.673 15.952 1.00 0.00 ATOM 769 N LEU 98 -2.115 3.099 16.090 1.00 0.00 ATOM 770 CA LEU 98 -1.402 2.547 14.960 1.00 0.00 ATOM 771 CB LEU 98 -0.071 1.942 15.411 1.00 0.00 ATOM 772 CG LEU 98 0.981 2.926 15.923 1.00 0.00 ATOM 773 CD1 LEU 98 2.195 2.184 16.461 1.00 0.00 ATOM 774 CD2 LEU 98 1.444 3.849 14.807 1.00 0.00 ATOM 775 O LEU 98 -1.875 1.233 13.072 1.00 0.00 ATOM 776 C LEU 98 -2.143 1.446 14.226 1.00 0.00 ATOM 777 N HIS 99 -3.105 0.788 14.859 1.00 0.00 ATOM 778 CA HIS 99 -3.849 -0.300 14.212 1.00 0.00 ATOM 779 CB HIS 99 -4.235 -1.368 15.237 1.00 0.00 ATOM 780 CG HIS 99 -3.066 -2.103 15.814 1.00 0.00 ATOM 781 CD2 HIS 99 -2.373 -2.111 17.094 1.00 0.00 ATOM 782 ND1 HIS 99 -2.351 -3.040 15.100 1.00 0.00 ATOM 783 CE1 HIS 99 -1.366 -3.526 15.879 1.00 0.00 ATOM 784 NE2 HIS 99 -1.374 -2.972 17.075 1.00 0.00 ATOM 785 O HIS 99 -5.943 -0.615 13.033 1.00 0.00 ATOM 786 C HIS 99 -5.158 0.188 13.540 1.00 0.00 ATOM 787 N SER 100 -5.339 1.507 13.474 1.00 0.00 ATOM 788 CA SER 100 -6.569 2.121 12.992 1.00 0.00 ATOM 789 CB SER 100 -6.368 3.622 12.766 1.00 0.00 ATOM 790 OG SER 100 -5.409 3.860 11.752 1.00 0.00 ATOM 791 O SER 100 -8.264 1.255 11.515 1.00 0.00 ATOM 792 C SER 100 -7.069 1.528 11.652 1.00 0.00 ATOM 793 N PHE 101 -6.131 1.282 10.728 1.00 0.00 ATOM 794 CA PHE 101 -6.426 0.779 9.393 1.00 0.00 ATOM 795 CB PHE 101 -5.618 1.543 8.342 1.00 0.00 ATOM 796 CG PHE 101 -5.970 3.000 8.249 1.00 0.00 ATOM 797 CD1 PHE 101 -5.162 3.962 8.830 1.00 0.00 ATOM 798 CD2 PHE 101 -7.111 3.410 7.580 1.00 0.00 ATOM 799 CE1 PHE 101 -5.486 5.301 8.744 1.00 0.00 ATOM 800 CE2 PHE 101 -7.434 4.751 7.494 1.00 0.00 ATOM 801 CZ PHE 101 -6.628 5.696 8.072 1.00 0.00 ATOM 802 O PHE 101 -6.188 -1.085 7.914 1.00 0.00 ATOM 803 C PHE 101 -6.144 -0.668 9.096 1.00 0.00 ATOM 804 N ASP 102 -5.890 -1.462 10.127 1.00 0.00 ATOM 805 CA ASP 102 -5.403 -2.800 9.869 1.00 0.00 ATOM 806 CB ASP 102 -5.207 -3.562 11.180 1.00 0.00 ATOM 807 CG ASP 102 -4.631 -4.948 10.968 1.00 0.00 ATOM 808 OD1 ASP 102 -3.503 -5.049 10.440 1.00 0.00 ATOM 809 OD2 ASP 102 -5.306 -5.934 11.331 1.00 0.00 ATOM 810 O ASP 102 -6.053 -4.184 8.032 1.00 0.00 ATOM 811 C ASP 102 -6.417 -3.542 9.006 1.00 0.00 ATOM 812 N ALA 103 -7.690 -3.474 9.382 1.00 0.00 ATOM 813 CA ALA 103 -8.683 -4.278 8.652 1.00 0.00 ATOM 814 CB ALA 103 -10.050 -4.152 9.304 1.00 0.00 ATOM 815 O ALA 103 -8.808 -4.618 6.321 1.00 0.00 ATOM 816 C ALA 103 -8.784 -3.806 7.221 1.00 0.00 ATOM 817 N ALA 104 -8.812 -2.487 6.999 1.00 0.00 ATOM 818 CA ALA 104 -8.961 -1.926 5.678 1.00 0.00 ATOM 819 CB ALA 104 -9.150 -0.420 5.760 1.00 0.00 ATOM 820 O ALA 104 -7.849 -2.550 3.654 1.00 0.00 ATOM 821 C ALA 104 -7.728 -2.212 4.836 1.00 0.00 ATOM 822 N GLN 105 -6.555 -2.033 5.427 1.00 0.00 ATOM 823 CA GLN 105 -5.296 -2.486 4.791 1.00 0.00 ATOM 824 CB GLN 105 -4.118 -2.318 5.754 1.00 0.00 ATOM 825 CG GLN 105 -2.773 -2.706 5.163 1.00 0.00 ATOM 826 CD GLN 105 -1.629 -2.505 6.138 1.00 0.00 ATOM 827 OE1 GLN 105 -1.845 -2.170 7.303 1.00 0.00 ATOM 828 NE2 GLN 105 -0.407 -2.711 5.663 1.00 0.00 ATOM 829 O GLN 105 -4.733 -4.234 3.246 1.00 0.00 ATOM 830 C GLN 105 -5.234 -3.953 4.338 1.00 0.00 ATOM 831 N SER 106 -5.693 -4.885 5.181 1.00 0.00 ATOM 832 CA SER 106 -5.721 -6.284 4.835 1.00 0.00 ATOM 833 CB SER 106 -6.185 -7.121 6.028 1.00 0.00 ATOM 834 OG SER 106 -5.246 -7.066 7.088 1.00 0.00 ATOM 835 O SER 106 -6.359 -7.380 2.806 1.00 0.00 ATOM 836 C SER 106 -6.658 -6.577 3.683 1.00 0.00 ATOM 837 N ARG 107 -7.823 -5.940 3.685 1.00 0.00 ATOM 838 CA ARG 107 -8.718 -6.117 2.555 1.00 0.00 ATOM 839 CB ARG 107 -10.025 -5.354 2.782 1.00 0.00 ATOM 840 CG ARG 107 -10.917 -5.955 3.855 1.00 0.00 ATOM 841 CD ARG 107 -12.180 -5.132 4.049 1.00 0.00 ATOM 842 NE ARG 107 -13.037 -5.156 2.867 1.00 0.00 ATOM 843 CZ ARG 107 -13.915 -6.118 2.600 1.00 0.00 ATOM 844 NH1 ARG 107 -14.651 -6.056 1.500 1.00 0.00 ATOM 845 NH2 ARG 107 -14.053 -7.138 3.434 1.00 0.00 ATOM 846 O ARG 107 -8.070 -6.240 0.236 1.00 0.00 ATOM 847 C ARG 107 -8.027 -5.580 1.285 1.00 0.00 ATOM 848 N VAL 108 -7.390 -4.421 1.392 1.00 0.00 ATOM 849 CA VAL 108 -6.791 -3.772 0.199 1.00 0.00 ATOM 850 CB VAL 108 -6.242 -2.373 0.533 1.00 0.00 ATOM 851 CG1 VAL 108 -5.467 -1.808 -0.647 1.00 0.00 ATOM 852 CG2 VAL 108 -7.380 -1.419 0.863 1.00 0.00 ATOM 853 O VAL 108 -5.442 -4.774 -1.598 1.00 0.00 ATOM 854 C VAL 108 -5.606 -4.608 -0.377 1.00 0.00 ATOM 855 N TYR 109 -4.824 -5.182 0.511 1.00 0.00 ATOM 856 CA TYR 109 -3.737 -6.075 0.114 1.00 0.00 ATOM 857 CB TYR 109 -3.017 -6.626 1.346 1.00 0.00 ATOM 858 CG TYR 109 -1.902 -7.593 1.023 1.00 0.00 ATOM 859 CD1 TYR 109 -0.656 -7.131 0.614 1.00 0.00 ATOM 860 CD2 TYR 109 -2.096 -8.964 1.126 1.00 0.00 ATOM 861 CE1 TYR 109 0.371 -8.007 0.316 1.00 0.00 ATOM 862 CE2 TYR 109 -1.081 -9.855 0.832 1.00 0.00 ATOM 863 CZ TYR 109 0.158 -9.365 0.425 1.00 0.00 ATOM 864 OH TYR 109 1.179 -10.239 0.128 1.00 0.00 ATOM 865 O TYR 109 -3.720 -7.578 -1.771 1.00 0.00 ATOM 866 C TYR 109 -4.250 -7.271 -0.701 1.00 0.00 ATOM 867 N GLN 110 -5.297 -7.909 -0.206 1.00 0.00 ATOM 868 CA GLN 110 -5.897 -9.048 -0.891 1.00 0.00 ATOM 869 CB GLN 110 -7.068 -9.605 -0.079 1.00 0.00 ATOM 870 CG GLN 110 -6.654 -10.314 1.201 1.00 0.00 ATOM 871 CD GLN 110 -7.842 -10.751 2.033 1.00 0.00 ATOM 872 OE1 GLN 110 -8.989 -10.449 1.704 1.00 0.00 ATOM 873 NE2 GLN 110 -7.570 -11.467 3.120 1.00 0.00 ATOM 874 O GLN 110 -6.223 -9.445 -3.204 1.00 0.00 ATOM 875 C GLN 110 -6.423 -8.679 -2.257 1.00 0.00 ATOM 876 N LEU 111 -7.095 -7.535 -2.362 1.00 0.00 ATOM 877 CA LEU 111 -7.583 -6.987 -3.649 1.00 0.00 ATOM 878 CB LEU 111 -8.109 -5.562 -3.459 1.00 0.00 ATOM 879 CG LEU 111 -9.426 -5.423 -2.693 1.00 0.00 ATOM 880 CD1 LEU 111 -9.734 -3.959 -2.413 1.00 0.00 ATOM 881 CD2 LEU 111 -10.579 -6.007 -3.493 1.00 0.00 ATOM 882 O LEU 111 -6.702 -7.348 -5.834 1.00 0.00 ATOM 883 C LEU 111 -6.484 -6.936 -4.696 1.00 0.00 ATOM 884 N MET 112 -5.317 -6.404 -4.296 1.00 0.00 ATOM 885 CA MET 112 -4.121 -6.354 -5.145 1.00 0.00 ATOM 886 CB MET 112 -3.050 -5.463 -4.509 1.00 0.00 ATOM 887 CG MET 112 -3.420 -3.989 -4.460 1.00 0.00 ATOM 888 SD MET 112 -3.657 -3.275 -6.097 1.00 0.00 ATOM 889 CE MET 112 -5.438 -3.376 -6.256 1.00 0.00 ATOM 890 O MET 112 -3.121 -8.023 -6.499 1.00 0.00 ATOM 891 C MET 112 -3.486 -7.721 -5.372 1.00 0.00 ATOM 892 N GLU 113 -3.388 -8.537 -4.319 1.00 0.00 ATOM 893 CA GLU 113 -2.667 -9.805 -4.346 1.00 0.00 ATOM 894 CB GLU 113 -2.561 -10.391 -2.936 1.00 0.00 ATOM 895 CG GLU 113 -1.757 -9.537 -1.969 1.00 0.00 ATOM 896 CD GLU 113 -1.664 -10.153 -0.587 1.00 0.00 ATOM 897 OE1 GLU 113 -1.202 -11.308 -0.481 1.00 0.00 ATOM 898 OE2 GLU 113 -2.055 -9.481 0.391 1.00 0.00 ATOM 899 O GLU 113 -2.698 -11.543 -5.943 1.00 0.00 ATOM 900 C GLU 113 -3.357 -10.821 -5.213 1.00 0.00 ATOM 904 N SER 116 -4.329 -7.860 -9.285 1.00 0.00 ATOM 905 CA SER 116 -3.388 -7.064 -10.073 1.00 0.00 ATOM 906 CB SER 116 -3.375 -5.614 -9.587 1.00 0.00 ATOM 907 OG SER 116 -2.866 -5.522 -8.268 1.00 0.00 ATOM 908 O SER 116 -1.176 -7.495 -10.937 1.00 0.00 ATOM 909 C SER 116 -1.936 -7.592 -9.980 1.00 0.00 ATOM 910 N TYR 117 -1.567 -8.206 -8.863 1.00 0.00 ATOM 911 CA TYR 117 -0.177 -8.665 -8.675 1.00 0.00 ATOM 912 CB TYR 117 0.008 -9.258 -7.277 1.00 0.00 ATOM 913 CG TYR 117 1.398 -9.792 -7.016 1.00 0.00 ATOM 914 CD1 TYR 117 2.439 -8.933 -6.689 1.00 0.00 ATOM 915 CD2 TYR 117 1.663 -11.152 -7.098 1.00 0.00 ATOM 916 CE1 TYR 117 3.712 -9.411 -6.448 1.00 0.00 ATOM 917 CE2 TYR 117 2.932 -11.649 -6.861 1.00 0.00 ATOM 918 CZ TYR 117 3.959 -10.765 -6.534 1.00 0.00 ATOM 919 OH TYR 117 5.226 -11.243 -6.294 1.00 0.00 ATOM 920 O TYR 117 1.300 -9.631 -10.334 1.00 0.00 ATOM 921 C TYR 117 0.247 -9.758 -9.691 1.00 0.00 ATOM 922 N THR 118 -0.573 -10.821 -9.869 1.00 0.00 ATOM 923 CA THR 118 -0.270 -11.840 -10.909 1.00 0.00 ATOM 924 CB THR 118 -1.287 -12.996 -10.881 1.00 0.00 ATOM 925 CG2 THR 118 -0.979 -14.005 -11.978 1.00 0.00 ATOM 926 OG1 THR 118 -1.226 -13.659 -9.611 1.00 0.00 ATOM 927 O THR 118 0.510 -11.822 -13.178 1.00 0.00 ATOM 928 C THR 118 -0.280 -11.339 -12.355 1.00 0.00 ATOM 929 N ARG 119 -1.151 -10.390 -12.668 1.00 0.00 ATOM 930 CA ARG 119 -1.099 -9.710 -13.961 1.00 0.00 ATOM 931 CB ARG 119 -2.282 -8.752 -14.109 1.00 0.00 ATOM 932 CG ARG 119 -3.623 -9.443 -14.292 1.00 0.00 ATOM 933 CD ARG 119 -4.760 -8.437 -14.358 1.00 0.00 ATOM 934 NE ARG 119 -6.059 -9.086 -14.506 1.00 0.00 ATOM 935 CZ ARG 119 -7.221 -8.441 -14.516 1.00 0.00 ATOM 936 NH1 ARG 119 -8.354 -9.116 -14.654 1.00 0.00 ATOM 937 NH2 ARG 119 -7.247 -7.122 -14.388 1.00 0.00 ATOM 938 O ARG 119 0.800 -8.889 -15.186 1.00 0.00 ATOM 939 C ARG 119 0.186 -8.895 -14.125 1.00 0.00 ATOM 940 N PHE 120 0.598 -8.211 -13.065 1.00 0.00 ATOM 941 CA PHE 120 1.858 -7.473 -13.094 1.00 0.00 ATOM 942 CB PHE 120 2.175 -6.900 -11.711 1.00 0.00 ATOM 943 CG PHE 120 3.483 -6.164 -11.646 1.00 0.00 ATOM 944 CD1 PHE 120 3.581 -4.857 -12.088 1.00 0.00 ATOM 945 CD2 PHE 120 4.616 -6.778 -11.140 1.00 0.00 ATOM 946 CE1 PHE 120 4.785 -4.179 -12.027 1.00 0.00 ATOM 947 CE2 PHE 120 5.819 -6.102 -11.080 1.00 0.00 ATOM 948 CZ PHE 120 5.905 -4.809 -11.520 1.00 0.00 ATOM 949 O PHE 120 3.842 -7.968 -14.353 1.00 0.00 ATOM 950 C PHE 120 3.030 -8.346 -13.506 1.00 0.00 ATOM 951 N LEU 121 3.107 -9.523 -12.891 1.00 0.00 ATOM 952 CA LEU 121 4.208 -10.403 -13.108 1.00 0.00 ATOM 953 CB LEU 121 4.173 -11.562 -12.110 1.00 0.00 ATOM 954 CG LEU 121 4.391 -11.198 -10.640 1.00 0.00 ATOM 955 CD1 LEU 121 4.212 -12.419 -9.751 1.00 0.00 ATOM 956 CD2 LEU 121 5.796 -10.654 -10.423 1.00 0.00 ATOM 957 O LEU 121 5.158 -11.450 -14.974 1.00 0.00 ATOM 958 C LEU 121 4.149 -10.962 -14.497 1.00 0.00 ATOM 959 N LYS 122 2.974 -10.925 -15.138 1.00 0.00 ATOM 960 CA LYS 122 2.859 -11.388 -16.536 1.00 0.00 ATOM 961 CB LYS 122 1.478 -11.993 -16.788 1.00 0.00 ATOM 962 CG LYS 122 1.199 -13.257 -15.992 1.00 0.00 ATOM 963 CD LYS 122 -0.190 -13.801 -16.287 1.00 0.00 ATOM 964 CE LYS 122 -0.491 -15.035 -15.451 1.00 0.00 ATOM 965 NZ LYS 122 -1.838 -15.593 -15.749 1.00 0.00 ATOM 966 O LYS 122 3.047 -10.554 -18.755 1.00 0.00 ATOM 967 C LYS 122 3.049 -10.276 -17.572 1.00 0.00 ATOM 968 N SER 123 3.233 -9.028 -17.138 1.00 0.00 ATOM 969 CA SER 123 3.339 -7.905 -18.072 1.00 0.00 ATOM 970 CB SER 123 3.242 -6.574 -17.324 1.00 0.00 ATOM 971 OG SER 123 4.364 -6.381 -16.479 1.00 0.00 ATOM 972 O SER 123 5.698 -8.395 -18.260 1.00 0.00 ATOM 973 C SER 123 4.679 -7.947 -18.814 1.00 0.00 ATOM 974 N ASP 124 4.685 -7.490 -20.077 1.00 0.00 ATOM 975 CA ASP 124 5.924 -7.437 -20.840 1.00 0.00 ATOM 976 CB ASP 124 5.723 -6.641 -22.132 1.00 0.00 ATOM 977 CG ASP 124 4.900 -7.393 -23.158 1.00 0.00 ATOM 978 OD1 ASP 124 4.676 -8.607 -22.965 1.00 0.00 ATOM 979 OD2 ASP 124 4.478 -6.770 -24.155 1.00 0.00 ATOM 980 O ASP 124 8.204 -7.232 -20.143 1.00 0.00 ATOM 981 C ASP 124 7.063 -6.772 -20.069 1.00 0.00 ATOM 982 N ILE 125 6.728 -5.712 -19.329 1.00 0.00 ATOM 983 CA ILE 125 7.694 -4.953 -18.554 1.00 0.00 ATOM 984 CB ILE 125 7.023 -3.794 -17.795 1.00 0.00 ATOM 985 CG1 ILE 125 6.509 -2.739 -18.778 1.00 0.00 ATOM 986 CG2 ILE 125 8.014 -3.130 -16.851 1.00 0.00 ATOM 987 CD1 ILE 125 5.605 -1.705 -18.146 1.00 0.00 ATOM 988 O ILE 125 9.626 -5.791 -17.406 1.00 0.00 ATOM 989 C ILE 125 8.398 -5.814 -17.523 1.00 0.00 ATOM 990 N TYR 126 7.608 -6.556 -16.755 1.00 0.00 ATOM 991 CA TYR 126 8.148 -7.329 -15.666 1.00 0.00 ATOM 992 CB TYR 126 7.020 -7.904 -14.806 1.00 0.00 ATOM 993 CG TYR 126 7.501 -8.732 -13.637 1.00 0.00 ATOM 994 CD1 TYR 126 7.998 -8.123 -12.491 1.00 0.00 ATOM 995 CD2 TYR 126 7.460 -10.120 -13.684 1.00 0.00 ATOM 996 CE1 TYR 126 8.441 -8.873 -11.417 1.00 0.00 ATOM 997 CE2 TYR 126 7.898 -10.885 -12.619 1.00 0.00 ATOM 998 CZ TYR 126 8.391 -10.248 -11.481 1.00 0.00 ATOM 999 OH TYR 126 8.832 -10.996 -10.413 1.00 0.00 ATOM 1000 O TYR 126 10.067 -8.751 -15.805 1.00 0.00 ATOM 1001 C TYR 126 8.958 -8.446 -16.272 1.00 0.00 ATOM 1002 N LEU 127 8.398 -9.036 -17.329 1.00 0.00 ATOM 1003 CA LEU 127 9.043 -10.106 -18.055 1.00 0.00 ATOM 1004 CB LEU 127 8.148 -10.596 -19.194 1.00 0.00 ATOM 1005 CG LEU 127 6.881 -11.350 -18.785 1.00 0.00 ATOM 1006 CD1 LEU 127 5.999 -11.617 -19.995 1.00 0.00 ATOM 1007 CD2 LEU 127 7.231 -12.686 -18.147 1.00 0.00 ATOM 1008 O LEU 127 11.329 -10.454 -18.655 1.00 0.00 ATOM 1009 C LEU 127 10.376 -9.672 -18.674 1.00 0.00 ATOM 1010 N ASP 128 10.468 -8.434 -19.169 1.00 0.00 ATOM 1011 CA ASP 128 11.761 -7.854 -19.609 1.00 0.00 ATOM 1012 CB ASP 128 11.539 -6.502 -20.287 1.00 0.00 ATOM 1013 CG ASP 128 10.918 -6.634 -21.663 1.00 0.00 ATOM 1014 OD1 ASP 128 10.887 -7.763 -22.195 1.00 0.00 ATOM 1015 OD2 ASP 128 10.464 -5.607 -22.211 1.00 0.00 ATOM 1016 O ASP 128 13.912 -7.944 -18.549 1.00 0.00 ATOM 1017 C ASP 128 12.722 -7.632 -18.439 1.00 0.00 ATOM 1018 N LEU 129 12.218 -7.088 -17.330 1.00 0.00 ATOM 1019 CA LEU 129 13.051 -6.859 -16.161 1.00 0.00 ATOM 1020 CB LEU 129 12.240 -6.190 -15.048 1.00 0.00 ATOM 1021 CG LEU 129 11.814 -4.742 -15.297 1.00 0.00 ATOM 1022 CD1 LEU 129 10.869 -4.264 -14.206 1.00 0.00 ATOM 1023 CD2 LEU 129 13.024 -3.821 -15.315 1.00 0.00 ATOM 1024 O LEU 129 14.766 -8.208 -15.148 1.00 0.00 ATOM 1025 C LEU 129 13.624 -8.167 -15.598 1.00 0.00 ATOM 1026 N MET 130 12.824 -9.223 -15.596 1.00 0.00 ATOM 1027 CA MET 130 13.235 -10.487 -14.996 1.00 0.00 ATOM 1028 CB MET 130 12.035 -11.422 -14.841 1.00 0.00 ATOM 1029 CG MET 130 12.338 -12.701 -14.077 1.00 0.00 ATOM 1030 SD MET 130 12.869 -12.389 -12.382 1.00 0.00 ATOM 1031 CE MET 130 11.323 -11.881 -11.632 1.00 0.00 ATOM 1032 O MET 130 15.167 -11.847 -15.346 1.00 0.00 ATOM 1033 C MET 130 14.277 -11.189 -15.865 1.00 0.00 ATOM 1034 N GLU 131 14.164 -11.027 -17.182 1.00 0.00 ATOM 1035 CA GLU 131 15.181 -11.492 -18.123 1.00 0.00 ATOM 1036 CB GLU 131 14.761 -11.186 -19.560 1.00 0.00 ATOM 1037 CG GLU 131 13.603 -12.033 -20.062 1.00 0.00 ATOM 1038 CD GLU 131 13.133 -11.618 -21.444 1.00 0.00 ATOM 1039 OE1 GLU 131 13.664 -10.622 -21.978 1.00 0.00 ATOM 1040 OE2 GLU 131 12.234 -12.290 -21.992 1.00 0.00 ATOM 1041 O GLU 131 17.581 -11.458 -17.869 1.00 0.00 ATOM 1042 C GLU 131 16.536 -10.807 -17.867 1.00 0.00 ATOM 1043 N GLY 132 16.515 -9.496 -17.649 1.00 0.00 ATOM 1044 CA GLY 132 17.737 -8.762 -17.315 1.00 0.00 ATOM 1045 O GLY 132 19.549 -9.331 -15.865 1.00 0.00 ATOM 1046 C GLY 132 18.332 -9.250 -16.002 1.00 0.00 TER END