PFRMAT TS TARGET T0230 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 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 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 METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates 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 We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. 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. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD This is try14-opt2, an attempt to get a slightly different alignment METHOD of the parallel strands. It does not score quite as well as model 1, METHOD but offers a reasonable alternative. REMARK 6 REMARK 6 T0230 model 2 Wed Jul 21 08:48:41 2004 MODEL 2 PARENT 1qk8_A 1o8x_A 1i5g_A 1v58_A 1jos_A REMARK 7 REMARK 7 ALLPARENTS 1qk8_A 1o8x_A 1i5g_A 1v58_A 1jos_A 1v6f_A 1lu4_A REMARK 7 ALLPARENTS 1bed 1jfu_A 1pa4_A 1nw2_a 1osd_A 1nho_A 1a8l REMARK 7 ALLPARENTS 1lql_A 1n2f_A 1hh2_P 1rg9_A 1qwi_A 1ega_A ATOM 1 N MET 1 10.919 -11.990 -9.033 1.00 0.00 ATOM 2 CA MET 1 11.376 -10.725 -9.639 1.00 0.00 ATOM 3 CB MET 1 10.388 -10.186 -10.676 1.00 0.00 ATOM 4 CG MET 1 10.541 -8.716 -11.047 1.00 0.00 ATOM 5 SD MET 1 9.199 -8.105 -12.111 1.00 0.00 ATOM 6 CE MET 1 9.188 -9.429 -13.321 1.00 0.00 ATOM 7 O MET 1 10.791 -9.650 -7.601 1.00 0.00 ATOM 8 C MET 1 11.624 -9.734 -8.513 1.00 0.00 ATOM 9 N PRO 2 12.726 -8.988 -8.523 1.00 0.00 ATOM 10 CA PRO 2 12.959 -8.024 -7.441 1.00 0.00 ATOM 11 CB PRO 2 14.235 -7.295 -7.865 1.00 0.00 ATOM 12 CG PRO 2 14.973 -8.287 -8.699 1.00 0.00 ATOM 13 CD PRO 2 13.930 -9.018 -9.495 1.00 0.00 ATOM 14 O PRO 2 11.436 -6.710 -6.101 1.00 0.00 ATOM 15 C PRO 2 11.833 -7.022 -7.234 1.00 0.00 ATOM 16 N MET 3 11.199 -6.605 -8.303 1.00 0.00 ATOM 17 CA MET 3 10.107 -5.667 -8.162 1.00 0.00 ATOM 18 CB MET 3 9.837 -5.056 -9.593 1.00 0.00 ATOM 19 CG MET 3 8.697 -4.062 -9.628 1.00 0.00 ATOM 20 SD MET 3 8.994 -2.671 -8.526 1.00 0.00 ATOM 21 CE MET 3 10.240 -1.803 -9.455 1.00 0.00 ATOM 22 O MET 3 8.123 -5.598 -6.889 1.00 0.00 ATOM 23 C MET 3 8.919 -6.277 -7.512 1.00 0.00 ATOM 24 N SER 4 8.685 -7.548 -7.780 1.00 0.00 ATOM 25 CA SER 4 7.529 -8.219 -7.187 1.00 0.00 ATOM 26 CB SER 4 7.271 -9.595 -7.647 1.00 0.00 ATOM 27 OG SER 4 8.356 -10.510 -7.457 1.00 0.00 ATOM 28 O SER 4 6.957 -8.201 -4.913 1.00 0.00 ATOM 29 C SER 4 7.847 -8.404 -5.738 1.00 0.00 ATOM 30 N LYS 5 9.102 -8.817 -5.290 1.00 0.00 ATOM 31 CA LYS 5 9.439 -8.945 -3.855 1.00 0.00 ATOM 32 CB LYS 5 10.795 -9.631 -3.684 1.00 0.00 ATOM 33 CG LYS 5 10.796 -11.107 -4.046 1.00 0.00 ATOM 34 CD LYS 5 12.171 -11.725 -3.847 1.00 0.00 ATOM 35 CE LYS 5 12.179 -13.192 -4.241 1.00 0.00 ATOM 36 NZ LYS 5 13.526 -13.804 -4.074 1.00 0.00 ATOM 37 O LYS 5 9.031 -7.513 -2.055 1.00 0.00 ATOM 38 C LYS 5 9.511 -7.599 -3.179 1.00 0.00 ATOM 39 N LYS 6 10.011 -6.563 -3.863 1.00 0.00 ATOM 40 CA LYS 6 10.022 -5.232 -3.277 1.00 0.00 ATOM 41 CB LYS 6 10.803 -4.262 -4.153 1.00 0.00 ATOM 42 CG LYS 6 12.293 -4.557 -4.209 1.00 0.00 ATOM 43 CD LYS 6 13.022 -3.524 -5.050 1.00 0.00 ATOM 44 CE LYS 6 14.517 -3.799 -5.097 1.00 0.00 ATOM 45 NZ LYS 6 15.251 -2.750 -5.864 1.00 0.00 ATOM 46 O LYS 6 7.786 -5.001 -4.141 1.00 0.00 ATOM 47 C LYS 6 8.616 -4.640 -3.309 1.00 0.00 ATOM 48 N VAL 7 8.345 -3.735 -2.383 1.00 0.00 ATOM 49 CA VAL 7 7.044 -3.082 -2.308 1.00 0.00 ATOM 50 CB VAL 7 6.947 -2.258 -0.986 1.00 0.00 ATOM 51 CG1 VAL 7 7.946 -1.104 -0.969 1.00 0.00 ATOM 52 CG2 VAL 7 5.514 -1.785 -0.753 1.00 0.00 ATOM 53 O VAL 7 7.650 -1.459 -3.965 1.00 0.00 ATOM 54 C VAL 7 6.774 -2.204 -3.529 1.00 0.00 ATOM 55 N THR 8 5.567 -2.306 -4.098 1.00 0.00 ATOM 56 CA THR 8 5.228 -1.485 -5.256 1.00 0.00 ATOM 57 CB THR 8 4.120 -2.136 -6.104 1.00 0.00 ATOM 58 CG2 THR 8 3.807 -1.278 -7.320 1.00 0.00 ATOM 59 OG1 THR 8 4.549 -3.430 -6.546 1.00 0.00 ATOM 60 O THR 8 3.571 0.060 -4.435 1.00 0.00 ATOM 61 C THR 8 4.727 -0.101 -4.835 1.00 0.00 ATOM 62 N LYS 9 5.615 0.886 -4.926 1.00 0.00 ATOM 63 CA LYS 9 5.326 2.273 -4.560 1.00 0.00 ATOM 64 CB LYS 9 6.485 3.186 -4.963 1.00 0.00 ATOM 65 CG LYS 9 6.284 4.646 -4.589 1.00 0.00 ATOM 66 CD LYS 9 7.501 5.482 -4.952 1.00 0.00 ATOM 67 CE LYS 9 7.288 6.947 -4.607 1.00 0.00 ATOM 68 NZ LYS 9 8.475 7.776 -4.952 1.00 0.00 ATOM 69 O LYS 9 3.271 3.528 -4.601 1.00 0.00 ATOM 70 C LYS 9 4.065 2.819 -5.225 1.00 0.00 ATOM 71 N GLU 10 3.880 2.492 -6.499 1.00 0.00 ATOM 72 CA GLU 10 2.721 2.947 -7.259 1.00 0.00 ATOM 73 CB GLU 10 2.746 2.413 -8.672 1.00 0.00 ATOM 74 CG GLU 10 3.884 2.970 -9.529 1.00 0.00 ATOM 75 CD GLU 10 5.268 2.654 -8.975 1.00 0.00 ATOM 76 OE1 GLU 10 5.572 1.460 -8.758 1.00 0.00 ATOM 77 OE2 GLU 10 6.056 3.603 -8.762 1.00 0.00 ATOM 78 O GLU 10 0.465 3.221 -6.480 1.00 0.00 ATOM 79 C GLU 10 1.412 2.451 -6.653 1.00 0.00 ATOM 80 N ASP 11 1.340 1.178 -6.358 1.00 0.00 ATOM 81 CA ASP 11 0.135 0.607 -5.772 1.00 0.00 ATOM 82 CB ASP 11 0.278 -0.907 -5.593 1.00 0.00 ATOM 83 CG ASP 11 0.190 -1.657 -6.908 1.00 0.00 ATOM 84 OD1 ASP 11 -0.213 -1.042 -7.917 1.00 0.00 ATOM 85 OD2 ASP 11 0.526 -2.860 -6.928 1.00 0.00 ATOM 86 O ASP 11 -1.247 1.544 -4.039 1.00 0.00 ATOM 87 C ASP 11 -0.110 1.226 -4.397 1.00 0.00 ATOM 88 N VAL 12 1.003 1.415 -3.692 1.00 0.00 ATOM 89 CA VAL 12 0.928 2.030 -2.370 1.00 0.00 ATOM 90 CB VAL 12 2.303 2.095 -1.732 1.00 0.00 ATOM 91 CG1 VAL 12 2.284 3.036 -0.522 1.00 0.00 ATOM 92 CG2 VAL 12 2.758 0.706 -1.313 1.00 0.00 ATOM 93 O VAL 12 -0.475 3.866 -1.722 1.00 0.00 ATOM 94 C VAL 12 0.396 3.454 -2.487 1.00 0.00 ATOM 95 N LEU 13 0.889 4.208 -3.407 1.00 0.00 ATOM 96 CA LEU 13 0.466 5.594 -3.572 1.00 0.00 ATOM 97 CB LEU 13 1.220 6.271 -4.719 1.00 0.00 ATOM 98 CG LEU 13 2.710 6.531 -4.492 1.00 0.00 ATOM 99 CD1 LEU 13 3.368 7.036 -5.767 1.00 0.00 ATOM 100 CD2 LEU 13 2.914 7.578 -3.406 1.00 0.00 ATOM 101 O LEU 13 -1.751 6.494 -3.287 1.00 0.00 ATOM 102 C LEU 13 -1.032 5.677 -3.872 1.00 0.00 ATOM 103 N ASN 14 -1.517 4.833 -4.779 1.00 0.00 ATOM 104 CA ASN 14 -2.943 4.845 -5.106 1.00 0.00 ATOM 105 CB ASN 14 -3.255 3.813 -6.190 1.00 0.00 ATOM 106 CG ASN 14 -4.692 3.885 -6.669 1.00 0.00 ATOM 107 ND2 ASN 14 -5.442 2.812 -6.451 1.00 0.00 ATOM 108 OD1 ASN 14 -5.118 4.894 -7.231 1.00 0.00 ATOM 109 O ASN 14 -4.850 5.122 -3.644 1.00 0.00 ATOM 110 C ASN 14 -3.799 4.514 -3.868 1.00 0.00 ATOM 111 N ALA 15 -3.341 3.566 -3.058 1.00 0.00 ATOM 112 CA ALA 15 -4.081 3.176 -1.853 1.00 0.00 ATOM 113 CB ALA 15 -3.433 1.917 -1.239 1.00 0.00 ATOM 114 O ALA 15 -5.161 4.635 -0.271 1.00 0.00 ATOM 115 C ALA 15 -4.127 4.332 -0.888 1.00 0.00 ATOM 116 N LEU 16 -3.002 4.996 -0.657 1.00 0.00 ATOM 117 CA LEU 16 -2.945 6.124 0.278 1.00 0.00 ATOM 118 CB LEU 16 -1.578 6.748 0.370 1.00 0.00 ATOM 119 CG LEU 16 -0.596 5.837 1.103 1.00 0.00 ATOM 120 CD1 LEU 16 0.836 6.281 0.781 1.00 0.00 ATOM 121 CD2 LEU 16 -0.826 5.845 2.593 1.00 0.00 ATOM 122 O LEU 16 -4.667 7.740 0.669 1.00 0.00 ATOM 123 C LEU 16 -3.912 7.208 -0.154 1.00 0.00 ATOM 124 N LYS 17 -3.888 7.570 -1.422 1.00 0.00 ATOM 125 CA LYS 17 -4.731 8.641 -1.932 1.00 0.00 ATOM 126 CB LYS 17 -4.153 9.204 -3.234 1.00 0.00 ATOM 127 CG LYS 17 -2.802 9.880 -3.070 1.00 0.00 ATOM 128 CD LYS 17 -2.318 10.471 -4.384 1.00 0.00 ATOM 129 CE LYS 17 -0.966 11.144 -4.223 1.00 0.00 ATOM 130 NZ LYS 17 -0.418 11.613 -5.526 1.00 0.00 ATOM 131 O LYS 17 -7.084 9.004 -1.797 1.00 0.00 ATOM 132 C LYS 17 -6.190 8.238 -2.100 1.00 0.00 ATOM 133 N ASN 18 -6.633 7.149 -2.862 1.00 0.00 ATOM 134 CA ASN 18 -8.034 6.951 -3.220 1.00 0.00 ATOM 135 CB ASN 18 -8.163 6.162 -4.524 1.00 0.00 ATOM 136 CG ASN 18 -9.602 6.022 -4.981 1.00 0.00 ATOM 137 ND2 ASN 18 -10.089 4.787 -5.025 1.00 0.00 ATOM 138 OD1 ASN 18 -10.264 7.013 -5.290 1.00 0.00 ATOM 139 O ASN 18 -10.119 6.493 -2.180 1.00 0.00 ATOM 140 C ASN 18 -8.921 6.208 -2.253 1.00 0.00 ATOM 141 N VAL 19 -8.358 5.282 -1.501 1.00 0.00 ATOM 142 CA VAL 19 -9.166 4.479 -0.597 1.00 0.00 ATOM 143 CB VAL 19 -9.231 3.009 -1.052 1.00 0.00 ATOM 144 CG1 VAL 19 -10.058 2.187 -0.078 1.00 0.00 ATOM 145 CG2 VAL 19 -9.869 2.906 -2.429 1.00 0.00 ATOM 146 O VAL 19 -7.289 4.358 0.883 1.00 0.00 ATOM 147 C VAL 19 -8.491 4.584 0.752 1.00 0.00 ATOM 148 N ILE 20 -9.267 5.013 1.740 1.00 0.00 ATOM 149 CA ILE 20 -8.779 5.154 3.093 1.00 0.00 ATOM 150 CB ILE 20 -9.353 6.380 3.847 1.00 0.00 ATOM 151 CG1 ILE 20 -8.990 7.670 3.097 1.00 0.00 ATOM 152 CG2 ILE 20 -8.843 6.461 5.292 1.00 0.00 ATOM 153 CD1 ILE 20 -9.732 8.889 3.650 1.00 0.00 ATOM 154 O ILE 20 -10.279 3.493 4.048 1.00 0.00 ATOM 155 C ILE 20 -9.128 3.852 3.809 1.00 0.00 ATOM 156 N ASP 21 -11.599 5.029 3.505 1.00 0.00 ATOM 157 CA ASP 21 -12.662 4.472 4.336 1.00 0.00 ATOM 158 CB ASP 21 -13.277 3.184 3.685 1.00 0.00 ATOM 159 CG ASP 21 -12.722 2.011 4.471 1.00 0.00 ATOM 160 OD1 ASP 21 -11.600 1.592 4.202 1.00 0.00 ATOM 161 OD2 ASP 21 -13.475 1.516 5.306 1.00 0.00 ATOM 162 O ASP 21 -11.207 4.171 6.227 1.00 0.00 ATOM 163 C ASP 21 -12.205 4.733 5.778 1.00 0.00 ATOM 164 N PHE 22 -12.999 5.489 6.523 1.00 0.00 ATOM 165 CA PHE 22 -12.701 5.708 7.939 1.00 0.00 ATOM 166 CB PHE 22 -13.743 6.781 8.445 1.00 0.00 ATOM 167 CG PHE 22 -13.804 8.135 7.757 1.00 0.00 ATOM 168 CD1 PHE 22 -12.887 8.505 6.803 1.00 0.00 ATOM 169 CD2 PHE 22 -14.847 9.002 8.085 1.00 0.00 ATOM 170 CE1 PHE 22 -13.025 9.736 6.176 1.00 0.00 ATOM 171 CE2 PHE 22 -14.977 10.221 7.485 1.00 0.00 ATOM 172 CZ PHE 22 -14.085 10.557 6.518 1.00 0.00 ATOM 173 O PHE 22 -11.836 4.280 9.643 1.00 0.00 ATOM 174 C PHE 22 -12.640 4.406 8.723 1.00 0.00 ATOM 175 N GLU 23 -13.463 3.428 8.353 1.00 0.00 ATOM 176 CA GLU 23 -13.463 2.159 9.073 1.00 0.00 ATOM 177 CB GLU 23 -14.589 1.215 8.646 1.00 0.00 ATOM 178 CG GLU 23 -15.985 1.744 8.932 1.00 0.00 ATOM 179 CD GLU 23 -16.238 1.949 10.413 1.00 0.00 ATOM 180 OE1 GLU 23 -16.054 0.983 11.185 1.00 0.00 ATOM 181 OE2 GLU 23 -16.622 3.072 10.800 1.00 0.00 ATOM 182 O GLU 23 -11.907 0.491 9.722 1.00 0.00 ATOM 183 C GLU 23 -12.168 1.394 8.936 1.00 0.00 ATOM 184 N LEU 24 -11.370 1.711 7.947 1.00 0.00 ATOM 185 CA LEU 24 -10.102 0.976 7.855 1.00 0.00 ATOM 186 CB LEU 24 -9.995 0.260 6.507 1.00 0.00 ATOM 187 CG LEU 24 -11.075 -0.782 6.206 1.00 0.00 ATOM 188 CD1 LEU 24 -10.930 -1.313 4.788 1.00 0.00 ATOM 189 CD2 LEU 24 -10.973 -1.957 7.166 1.00 0.00 ATOM 190 O LEU 24 -7.815 1.514 8.362 1.00 0.00 ATOM 191 C LEU 24 -8.906 1.912 7.985 1.00 0.00 ATOM 192 N GLY 25 -9.125 3.184 7.719 1.00 0.00 ATOM 193 CA GLY 25 -8.033 4.112 7.823 1.00 0.00 ATOM 194 O GLY 25 -7.149 3.155 5.797 1.00 0.00 ATOM 195 C GLY 25 -6.978 3.922 6.755 1.00 0.00 ATOM 196 N LEU 26 -5.727 4.678 6.498 1.00 0.00 ATOM 197 CA LEU 26 -4.775 4.402 5.451 1.00 0.00 ATOM 198 CB LEU 26 -3.468 5.154 5.705 1.00 0.00 ATOM 199 CG LEU 26 -3.527 6.678 5.585 1.00 0.00 ATOM 200 CD1 LEU 26 -2.206 7.301 6.004 1.00 0.00 ATOM 201 CD2 LEU 26 -3.814 7.093 4.150 1.00 0.00 ATOM 202 O LEU 26 -4.217 2.244 6.287 1.00 0.00 ATOM 203 C LEU 26 -4.462 2.920 5.290 1.00 0.00 ATOM 204 N ASP 27 -4.461 2.464 4.108 1.00 0.00 ATOM 205 CA ASP 27 -4.045 1.082 3.865 1.00 0.00 ATOM 206 CB ASP 27 -4.428 0.649 2.462 1.00 0.00 ATOM 207 CG ASP 27 -5.931 0.566 2.281 1.00 0.00 ATOM 208 OD1 ASP 27 -6.598 0.047 3.200 1.00 0.00 ATOM 209 OD2 ASP 27 -6.444 1.011 1.231 1.00 0.00 ATOM 210 O ASP 27 -2.100 -0.094 4.627 1.00 0.00 ATOM 211 C ASP 27 -2.555 0.931 4.132 1.00 0.00 ATOM 212 N VAL 28 -1.795 1.962 3.784 1.00 0.00 ATOM 213 CA VAL 28 -0.374 1.921 4.017 1.00 0.00 ATOM 214 CB VAL 28 0.264 3.125 3.248 1.00 0.00 ATOM 215 CG1 VAL 28 1.699 3.394 3.691 1.00 0.00 ATOM 216 CG2 VAL 28 0.144 2.871 1.754 1.00 0.00 ATOM 217 O VAL 28 0.716 1.267 6.005 1.00 0.00 ATOM 218 C VAL 28 -0.127 1.989 5.493 1.00 0.00 ATOM 219 N VAL 29 -0.849 2.865 6.204 1.00 0.00 ATOM 220 CA VAL 29 -0.674 2.992 7.654 1.00 0.00 ATOM 221 CB VAL 29 0.149 4.269 8.045 1.00 0.00 ATOM 222 CG1 VAL 29 1.464 4.312 7.276 1.00 0.00 ATOM 223 CG2 VAL 29 -0.644 5.486 7.710 1.00 0.00 ATOM 224 O VAL 29 -3.020 3.594 7.956 1.00 0.00 ATOM 225 C VAL 29 -2.035 2.982 8.371 1.00 0.00 ATOM 226 N SER 30 -1.209 3.850 9.836 1.00 0.00 ATOM 227 CA SER 30 -1.298 4.975 10.772 1.00 0.00 ATOM 228 CB SER 30 -2.452 4.765 11.755 1.00 0.00 ATOM 229 OG SER 30 -3.701 4.772 11.082 1.00 0.00 ATOM 230 O SER 30 0.430 6.295 11.756 1.00 0.00 ATOM 231 C SER 30 0.045 5.166 11.453 1.00 0.00 ATOM 232 N LEU 31 0.744 4.067 11.756 1.00 0.00 ATOM 233 CA LEU 31 2.053 4.131 12.407 1.00 0.00 ATOM 234 CB LEU 31 2.289 2.804 13.130 1.00 0.00 ATOM 235 CG LEU 31 1.263 2.422 14.198 1.00 0.00 ATOM 236 CD1 LEU 31 1.561 1.040 14.761 1.00 0.00 ATOM 237 CD2 LEU 31 1.287 3.419 15.346 1.00 0.00 ATOM 238 O LEU 31 4.407 4.476 12.002 1.00 0.00 ATOM 239 C LEU 31 3.280 4.394 11.518 1.00 0.00 ATOM 240 N GLY 32 3.072 4.538 10.151 1.00 0.00 ATOM 241 CA GLY 32 4.167 4.810 9.249 1.00 0.00 ATOM 242 O GLY 32 5.564 3.861 7.615 1.00 0.00 ATOM 243 C GLY 32 4.591 3.689 8.343 1.00 0.00 ATOM 244 N LEU 33 3.892 2.575 8.354 1.00 0.00 ATOM 245 CA LEU 33 4.250 1.496 7.448 1.00 0.00 ATOM 246 CB LEU 33 3.684 0.176 7.949 1.00 0.00 ATOM 247 CG LEU 33 4.221 -0.335 9.261 1.00 0.00 ATOM 248 CD1 LEU 33 3.430 -1.568 9.681 1.00 0.00 ATOM 249 CD2 LEU 33 5.693 -0.651 9.185 1.00 0.00 ATOM 250 O LEU 33 2.709 2.366 5.818 1.00 0.00 ATOM 251 C LEU 33 3.735 1.722 6.029 1.00 0.00 ATOM 252 N VAL 34 4.502 1.199 5.076 1.00 0.00 ATOM 253 CA VAL 34 4.056 1.115 3.690 1.00 0.00 ATOM 254 CB VAL 34 5.126 1.702 2.752 1.00 0.00 ATOM 255 CG1 VAL 34 4.629 1.538 1.312 1.00 0.00 ATOM 256 CG2 VAL 34 5.317 3.178 3.073 1.00 0.00 ATOM 257 O VAL 34 4.642 -1.194 3.481 1.00 0.00 ATOM 258 C VAL 34 3.796 -0.321 3.284 1.00 0.00 ATOM 259 N TYR 35 2.597 -0.550 2.763 1.00 0.00 ATOM 260 CA TYR 35 2.150 -1.854 2.303 1.00 0.00 ATOM 261 CB TYR 35 0.912 -2.363 3.086 1.00 0.00 ATOM 262 CG TYR 35 1.278 -2.764 4.497 1.00 0.00 ATOM 263 CD1 TYR 35 1.317 -1.841 5.525 1.00 0.00 ATOM 264 CD2 TYR 35 1.611 -4.059 4.773 1.00 0.00 ATOM 265 CE1 TYR 35 1.722 -2.214 6.792 1.00 0.00 ATOM 266 CE2 TYR 35 2.055 -4.441 6.044 1.00 0.00 ATOM 267 CZ TYR 35 2.124 -3.512 7.039 1.00 0.00 ATOM 268 OH TYR 35 2.597 -3.824 8.313 1.00 0.00 ATOM 269 O TYR 35 1.201 -0.870 0.248 1.00 0.00 ATOM 270 C TYR 35 1.779 -1.792 0.831 1.00 0.00 ATOM 271 N ASP 36 3.094 -3.562 1.338 1.00 0.00 ATOM 272 CA ASP 36 3.932 -4.270 0.389 1.00 0.00 ATOM 273 CB ASP 36 4.795 -5.306 1.122 1.00 0.00 ATOM 274 CG ASP 36 5.689 -4.678 2.164 1.00 0.00 ATOM 275 OD1 ASP 36 6.135 -3.533 1.944 1.00 0.00 ATOM 276 OD2 ASP 36 5.954 -5.330 3.191 1.00 0.00 ATOM 277 O ASP 36 1.927 -5.288 -0.500 1.00 0.00 ATOM 278 C ASP 36 3.083 -4.896 -0.723 1.00 0.00 ATOM 279 N ILE 37 3.719 -5.033 -1.920 1.00 0.00 ATOM 280 CA ILE 37 3.051 -5.675 -3.040 1.00 0.00 ATOM 281 CB ILE 37 2.778 -4.680 -4.183 1.00 0.00 ATOM 282 CG1 ILE 37 1.885 -3.539 -3.695 1.00 0.00 ATOM 283 CG2 ILE 37 2.078 -5.376 -5.340 1.00 0.00 ATOM 284 CD1 ILE 37 0.485 -3.974 -3.318 1.00 0.00 ATOM 285 O ILE 37 5.183 -6.588 -3.616 1.00 0.00 ATOM 286 C ILE 37 3.959 -6.776 -3.550 1.00 0.00 ATOM 287 N GLN 38 3.357 -7.916 -3.852 1.00 0.00 ATOM 288 CA GLN 38 4.080 -9.041 -4.414 1.00 0.00 ATOM 289 CB GLN 38 3.967 -10.262 -3.502 1.00 0.00 ATOM 290 CG GLN 38 4.624 -10.084 -2.142 1.00 0.00 ATOM 291 CD GLN 38 4.466 -11.304 -1.255 1.00 0.00 ATOM 292 OE1 GLN 38 3.884 -12.310 -1.662 1.00 0.00 ATOM 293 NE2 GLN 38 4.988 -11.218 -0.036 1.00 0.00 ATOM 294 O GLN 38 2.288 -9.221 -5.982 1.00 0.00 ATOM 295 C GLN 38 3.492 -9.320 -5.787 1.00 0.00 ATOM 296 N ILE 39 4.452 -9.651 -6.620 1.00 0.00 ATOM 297 CA ILE 39 3.981 -9.933 -7.959 1.00 0.00 ATOM 298 CB ILE 39 4.467 -8.865 -8.978 1.00 0.00 ATOM 299 CG1 ILE 39 3.961 -7.483 -8.477 1.00 0.00 ATOM 300 CG2 ILE 39 3.983 -9.155 -10.384 1.00 0.00 ATOM 301 CD1 ILE 39 4.383 -6.342 -9.415 1.00 0.00 ATOM 302 O ILE 39 5.707 -11.539 -8.171 1.00 0.00 ATOM 303 C ILE 39 4.525 -11.284 -8.362 1.00 0.00 ATOM 304 N ASP 40 3.660 -12.123 -8.925 1.00 0.00 ATOM 305 CA ASP 40 4.036 -13.471 -9.358 1.00 0.00 ATOM 306 CB ASP 40 2.793 -14.277 -9.742 1.00 0.00 ATOM 307 CG ASP 40 1.967 -14.683 -8.536 1.00 0.00 ATOM 308 OD1 ASP 40 2.460 -14.527 -7.399 1.00 0.00 ATOM 309 OD2 ASP 40 0.827 -15.155 -8.730 1.00 0.00 ATOM 310 O ASP 40 4.977 -12.386 -11.303 1.00 0.00 ATOM 311 C ASP 40 4.963 -13.383 -10.573 1.00 0.00 ATOM 312 N ASP 41 5.711 -14.444 -10.799 1.00 0.00 ATOM 313 CA ASP 41 6.708 -14.504 -11.862 1.00 0.00 ATOM 314 CB ASP 41 7.363 -15.885 -11.904 1.00 0.00 ATOM 315 CG ASP 41 8.313 -16.115 -10.745 1.00 0.00 ATOM 316 OD1 ASP 41 8.646 -15.135 -10.046 1.00 0.00 ATOM 317 OD2 ASP 41 8.726 -17.275 -10.535 1.00 0.00 ATOM 318 O ASP 41 6.759 -13.625 -14.086 1.00 0.00 ATOM 319 C ASP 41 6.107 -14.244 -13.228 1.00 0.00 ATOM 320 N GLN 42 4.808 -14.722 -13.411 1.00 0.00 ATOM 321 CA GLN 42 4.110 -14.498 -14.686 1.00 0.00 ATOM 322 CB GLN 42 2.994 -15.528 -14.874 1.00 0.00 ATOM 323 CG GLN 42 3.490 -16.951 -15.068 1.00 0.00 ATOM 324 CD GLN 42 2.360 -17.960 -15.124 1.00 0.00 ATOM 325 OE1 GLN 42 1.197 -17.595 -15.294 1.00 0.00 ATOM 326 NE2 GLN 42 2.699 -19.236 -14.980 1.00 0.00 ATOM 327 O GLN 42 2.641 -12.856 -15.709 1.00 0.00 ATOM 328 C GLN 42 3.452 -13.108 -14.800 1.00 0.00 ATOM 329 N ASN 43 3.789 -12.216 -13.862 1.00 0.00 ATOM 330 CA ASN 43 3.280 -10.852 -13.837 1.00 0.00 ATOM 331 CB ASN 43 3.438 -10.196 -15.209 1.00 0.00 ATOM 332 CG ASN 43 3.327 -8.685 -15.150 1.00 0.00 ATOM 333 ND2 ASN 43 2.953 -8.077 -16.270 1.00 0.00 ATOM 334 OD1 ASN 43 3.575 -8.075 -14.110 1.00 0.00 ATOM 335 O ASN 43 1.191 -9.666 -13.847 1.00 0.00 ATOM 336 C ASN 43 1.833 -10.601 -13.390 1.00 0.00 ATOM 337 N ASN 44 1.263 -11.386 -12.340 1.00 0.00 ATOM 338 CA ASN 44 -0.038 -11.161 -11.738 1.00 0.00 ATOM 339 CB ASN 44 -0.574 -12.564 -11.441 1.00 0.00 ATOM 340 CG ASN 44 -1.259 -13.191 -12.639 1.00 0.00 ATOM 341 ND2 ASN 44 -1.373 -14.514 -12.628 1.00 0.00 ATOM 342 OD1 ASN 44 -1.680 -12.494 -13.560 1.00 0.00 ATOM 343 O ASN 44 1.453 -10.648 -9.942 1.00 0.00 ATOM 344 C ASN 44 0.330 -10.515 -10.421 1.00 0.00 ATOM 345 N VAL 45 -0.611 -9.767 -9.847 1.00 0.00 ATOM 346 CA VAL 45 -0.326 -9.195 -8.559 1.00 0.00 ATOM 347 CB VAL 45 -0.253 -7.671 -8.625 1.00 0.00 ATOM 348 CG1 VAL 45 -0.153 -6.975 -7.274 1.00 0.00 ATOM 349 CG2 VAL 45 0.961 -7.294 -9.491 1.00 0.00 ATOM 350 O VAL 45 -2.619 -9.605 -8.002 1.00 0.00 ATOM 351 C VAL 45 -1.453 -9.490 -7.613 1.00 0.00 ATOM 352 N LYS 46 -0.592 -9.413 -6.180 1.00 0.00 ATOM 353 CA LYS 46 -1.261 -9.571 -4.907 1.00 0.00 ATOM 354 CB LYS 46 -0.782 -10.842 -4.202 1.00 0.00 ATOM 355 CG LYS 46 -1.163 -12.129 -4.915 1.00 0.00 ATOM 356 CD LYS 46 -0.666 -13.348 -4.157 1.00 0.00 ATOM 357 CE LYS 46 -1.008 -14.633 -4.894 1.00 0.00 ATOM 358 NZ LYS 46 -0.507 -15.836 -4.173 1.00 0.00 ATOM 359 O LYS 46 0.286 -8.042 -4.032 1.00 0.00 ATOM 360 C LYS 46 -0.885 -8.341 -4.147 1.00 0.00 ATOM 361 N VAL 47 -1.888 -7.644 -3.602 1.00 0.00 ATOM 362 CA VAL 47 -1.649 -6.407 -2.876 1.00 0.00 ATOM 363 CB VAL 47 -2.711 -5.342 -3.213 1.00 0.00 ATOM 364 CG1 VAL 47 -2.473 -4.079 -2.402 1.00 0.00 ATOM 365 CG2 VAL 47 -2.657 -4.983 -4.690 1.00 0.00 ATOM 366 O VAL 47 -2.740 -7.407 -1.030 1.00 0.00 ATOM 367 C VAL 47 -1.754 -6.800 -1.402 1.00 0.00 ATOM 368 N LEU 48 -0.704 -6.441 -0.560 1.00 0.00 ATOM 369 CA LEU 48 -0.660 -6.758 0.879 1.00 0.00 ATOM 370 CB LEU 48 0.596 -7.609 1.216 1.00 0.00 ATOM 371 CG LEU 48 0.773 -7.982 2.696 1.00 0.00 ATOM 372 CD1 LEU 48 -0.301 -8.978 3.109 1.00 0.00 ATOM 373 CD2 LEU 48 2.153 -8.578 2.917 1.00 0.00 ATOM 374 O LEU 48 0.030 -4.703 1.839 1.00 0.00 ATOM 375 C LEU 48 -0.858 -5.529 1.728 1.00 0.00 ATOM 376 N MET 49 -2.046 -5.399 2.312 1.00 0.00 ATOM 377 CA MET 49 -2.340 -4.241 3.126 1.00 0.00 ATOM 378 CB MET 49 -3.328 -3.319 2.409 1.00 0.00 ATOM 379 CG MET 49 -2.778 -2.688 1.140 1.00 0.00 ATOM 380 SD MET 49 -3.984 -1.630 0.313 1.00 0.00 ATOM 381 CE MET 49 -5.043 -2.855 -0.449 1.00 0.00 ATOM 382 O MET 49 -3.480 -5.643 4.726 1.00 0.00 ATOM 383 C MET 49 -2.953 -4.547 4.477 1.00 0.00 ATOM 384 N THR 50 -2.558 -3.684 5.295 1.00 0.00 ATOM 385 CA THR 50 -3.035 -3.768 6.671 1.00 0.00 ATOM 386 CB THR 50 -1.938 -3.514 7.703 1.00 0.00 ATOM 387 CG2 THR 50 -0.789 -4.489 7.508 1.00 0.00 ATOM 388 OG1 THR 50 -1.447 -2.172 7.584 1.00 0.00 ATOM 389 O THR 50 -4.082 -1.642 6.115 1.00 0.00 ATOM 390 C THR 50 -4.077 -2.654 6.858 1.00 0.00 ATOM 391 N MET 51 -5.006 -2.875 7.779 1.00 0.00 ATOM 392 CA MET 51 -6.054 -1.888 8.104 1.00 0.00 ATOM 393 CB MET 51 -7.433 -2.550 8.102 1.00 0.00 ATOM 394 CG MET 51 -7.827 -3.155 6.764 1.00 0.00 ATOM 395 SD MET 51 -8.040 -1.913 5.474 1.00 0.00 ATOM 396 CE MET 51 -8.407 -2.954 4.062 1.00 0.00 ATOM 397 O MET 51 -5.295 -1.989 10.429 1.00 0.00 ATOM 398 C MET 51 -5.789 -1.297 9.500 1.00 0.00 ATOM 399 N THR 52 -6.090 -0.012 9.658 1.00 0.00 ATOM 400 CA THR 52 -5.887 0.625 10.948 1.00 0.00 ATOM 401 CB THR 52 -6.378 2.086 10.939 1.00 0.00 ATOM 402 CG2 THR 52 -6.141 2.736 12.293 1.00 0.00 ATOM 403 OG1 THR 52 -5.667 2.826 9.939 1.00 0.00 ATOM 404 O THR 52 -5.943 -0.643 12.926 1.00 0.00 ATOM 405 C THR 52 -6.656 -0.117 12.076 1.00 0.00 ATOM 406 N THR 53 -8.078 -0.385 11.865 1.00 0.00 ATOM 407 CA THR 53 -8.834 -1.494 12.462 1.00 0.00 ATOM 408 CB THR 53 -9.664 -1.024 13.670 1.00 0.00 ATOM 409 CG2 THR 53 -10.404 -2.197 14.298 1.00 0.00 ATOM 410 OG1 THR 53 -8.797 -0.445 14.654 1.00 0.00 ATOM 411 O THR 53 -10.710 -1.365 10.991 1.00 0.00 ATOM 412 C THR 53 -9.749 -2.019 11.370 1.00 0.00 ATOM 413 N PRO 54 -9.489 -3.257 10.918 1.00 0.00 ATOM 414 CA PRO 54 -10.257 -3.841 9.815 1.00 0.00 ATOM 415 CB PRO 54 -9.470 -5.098 9.468 1.00 0.00 ATOM 416 CG PRO 54 -8.819 -5.473 10.760 1.00 0.00 ATOM 417 CD PRO 54 -8.363 -4.138 11.313 1.00 0.00 ATOM 418 O PRO 54 -11.902 -4.474 11.431 1.00 0.00 ATOM 419 C PRO 54 -11.694 -4.037 10.300 1.00 0.00 ATOM 420 N MET 55 -12.866 -3.748 9.603 1.00 0.00 ATOM 421 CA MET 55 -14.200 -4.023 10.103 1.00 0.00 ATOM 422 CB MET 55 -14.712 -2.840 10.914 1.00 0.00 ATOM 423 CG MET 55 -13.917 -2.619 12.183 1.00 0.00 ATOM 424 SD MET 55 -14.738 -1.466 13.277 1.00 0.00 ATOM 425 CE MET 55 -13.418 -1.094 14.427 1.00 0.00 ATOM 426 O MET 55 -16.323 -4.739 9.285 1.00 0.00 ATOM 427 C MET 55 -15.261 -4.186 9.025 1.00 0.00 ATOM 428 N CYS 56 -15.016 -3.615 7.851 1.00 0.00 ATOM 429 CA CYS 56 -15.937 -3.686 6.715 1.00 0.00 ATOM 430 CB CYS 56 -16.161 -2.295 6.109 1.00 0.00 ATOM 431 SG CYS 56 -16.710 -1.033 7.277 1.00 0.00 ATOM 432 O CYS 56 -14.165 -4.693 5.475 1.00 0.00 ATOM 433 C CYS 56 -15.370 -4.700 5.724 1.00 0.00 ATOM 434 N PRO 57 -16.242 -5.391 4.966 1.00 0.00 ATOM 435 CA PRO 57 -15.793 -6.383 3.980 1.00 0.00 ATOM 436 CB PRO 57 -17.006 -7.299 3.798 1.00 0.00 ATOM 437 CG PRO 57 -18.183 -6.394 3.954 1.00 0.00 ATOM 438 CD PRO 57 -17.820 -5.422 5.040 1.00 0.00 ATOM 439 O PRO 57 -14.781 -6.522 1.981 1.00 0.00 ATOM 440 C PRO 57 -15.398 -5.705 2.662 1.00 0.00 ATOM 441 N LEU 58 -15.238 -4.138 1.772 1.00 0.00 ATOM 442 CA LEU 58 -14.090 -3.272 1.629 1.00 0.00 ATOM 443 CB LEU 58 -13.477 -2.890 2.949 1.00 0.00 ATOM 444 CG LEU 58 -14.330 -1.984 3.825 1.00 0.00 ATOM 445 CD1 LEU 58 -13.741 -1.935 5.214 1.00 0.00 ATOM 446 CD2 LEU 58 -14.491 -0.591 3.203 1.00 0.00 ATOM 447 O LEU 58 -12.465 -3.274 -0.085 1.00 0.00 ATOM 448 C LEU 58 -13.072 -3.959 0.722 1.00 0.00 ATOM 449 N ALA 59 -12.806 -5.258 0.895 1.00 0.00 ATOM 450 CA ALA 59 -11.835 -5.974 0.025 1.00 0.00 ATOM 451 CB ALA 59 -11.648 -7.405 0.506 1.00 0.00 ATOM 452 O ALA 59 -11.492 -5.722 -2.372 1.00 0.00 ATOM 453 C ALA 59 -12.304 -5.922 -1.447 1.00 0.00 ATOM 454 N GLY 60 -13.631 -6.067 -1.694 1.00 0.00 ATOM 455 CA GLY 60 -14.157 -6.021 -3.051 1.00 0.00 ATOM 456 O GLY 60 -13.539 -4.464 -4.783 1.00 0.00 ATOM 457 C GLY 60 -13.939 -4.642 -3.619 1.00 0.00 ATOM 458 N MET 61 -14.142 -3.601 -2.771 1.00 0.00 ATOM 459 CA MET 61 -13.940 -2.233 -3.283 1.00 0.00 ATOM 460 CB MET 61 -14.401 -1.234 -2.216 1.00 0.00 ATOM 461 CG MET 61 -15.912 -1.214 -2.182 1.00 0.00 ATOM 462 SD MET 61 -16.508 -0.098 -0.860 1.00 0.00 ATOM 463 CE MET 61 -15.824 1.542 -1.349 1.00 0.00 ATOM 464 O MET 61 -12.191 -1.328 -4.605 1.00 0.00 ATOM 465 C MET 61 -12.478 -2.016 -3.615 1.00 0.00 ATOM 466 N ILE 62 -11.535 -2.449 -2.755 1.00 0.00 ATOM 467 CA ILE 62 -10.147 -2.219 -3.052 1.00 0.00 ATOM 468 CB ILE 62 -9.266 -2.716 -1.857 1.00 0.00 ATOM 469 CG1 ILE 62 -9.617 -1.924 -0.583 1.00 0.00 ATOM 470 CG2 ILE 62 -7.769 -2.610 -2.217 1.00 0.00 ATOM 471 CD1 ILE 62 -8.972 -2.440 0.668 1.00 0.00 ATOM 472 O ILE 62 -8.904 -2.284 -5.086 1.00 0.00 ATOM 473 C ILE 62 -9.712 -2.864 -4.360 1.00 0.00 ATOM 474 N LEU 63 -10.173 -4.059 -4.652 1.00 0.00 ATOM 475 CA LEU 63 -9.861 -4.689 -5.944 1.00 0.00 ATOM 476 CB LEU 63 -10.435 -6.111 -5.956 1.00 0.00 ATOM 477 CG LEU 63 -9.575 -7.116 -5.202 1.00 0.00 ATOM 478 CD1 LEU 63 -10.458 -8.368 -5.028 1.00 0.00 ATOM 479 CD2 LEU 63 -8.269 -7.489 -5.862 1.00 0.00 ATOM 480 O LEU 63 -9.619 -3.510 -8.008 1.00 0.00 ATOM 481 C LEU 63 -10.374 -3.922 -7.161 1.00 0.00 ATOM 482 N SER 64 -11.743 -3.859 -7.768 1.00 0.00 ATOM 483 CA SER 64 -11.868 -3.455 -9.193 1.00 0.00 ATOM 484 CB SER 64 -13.303 -3.657 -9.683 1.00 0.00 ATOM 485 OG SER 64 -13.644 -5.031 -9.714 1.00 0.00 ATOM 486 O SER 64 -10.727 -1.607 -10.230 1.00 0.00 ATOM 487 C SER 64 -11.490 -1.958 -9.332 1.00 0.00 ATOM 488 N ASP 65 -12.067 -1.079 -8.489 1.00 0.00 ATOM 489 CA ASP 65 -11.782 0.373 -8.580 1.00 0.00 ATOM 490 CB ASP 65 -12.600 1.147 -7.545 1.00 0.00 ATOM 491 CG ASP 65 -14.072 1.223 -7.905 1.00 0.00 ATOM 492 OD1 ASP 65 -14.419 0.888 -9.057 1.00 0.00 ATOM 493 OD2 ASP 65 -14.876 1.616 -7.033 1.00 0.00 ATOM 494 O ASP 65 -9.680 1.483 -9.005 1.00 0.00 ATOM 495 C ASP 65 -10.304 0.663 -8.327 1.00 0.00 ATOM 496 N ALA 66 -9.748 0.037 -7.322 1.00 0.00 ATOM 497 CA ALA 66 -8.321 0.236 -7.040 1.00 0.00 ATOM 498 CB ALA 66 -7.893 -0.450 -5.754 1.00 0.00 ATOM 499 O ALA 66 -6.475 0.470 -8.550 1.00 0.00 ATOM 500 C ALA 66 -7.442 -0.201 -8.210 1.00 0.00 ATOM 501 N GLU 67 -7.770 -1.347 -8.794 1.00 0.00 ATOM 502 CA GLU 67 -7.015 -1.866 -9.933 1.00 0.00 ATOM 503 CB GLU 67 -7.576 -3.221 -10.365 1.00 0.00 ATOM 504 CG GLU 67 -6.782 -3.898 -11.471 1.00 0.00 ATOM 505 CD GLU 67 -7.334 -5.263 -11.833 1.00 0.00 ATOM 506 OE1 GLU 67 -8.331 -5.685 -11.212 1.00 0.00 ATOM 507 OE2 GLU 67 -6.767 -5.912 -12.737 1.00 0.00 ATOM 508 O GLU 67 -6.111 -0.717 -11.822 1.00 0.00 ATOM 509 C GLU 67 -7.079 -0.899 -11.101 1.00 0.00 ATOM 510 N GLU 68 -8.241 -0.311 -11.320 1.00 0.00 ATOM 511 CA GLU 68 -8.383 0.656 -12.396 1.00 0.00 ATOM 512 CB GLU 68 -9.831 1.138 -12.494 1.00 0.00 ATOM 513 CG GLU 68 -10.800 0.091 -13.020 1.00 0.00 ATOM 514 CD GLU 68 -12.241 0.563 -12.989 1.00 0.00 ATOM 515 OE1 GLU 68 -12.490 1.680 -12.488 1.00 0.00 ATOM 516 OE2 GLU 68 -13.120 -0.185 -13.464 1.00 0.00 ATOM 517 O GLU 68 -6.682 2.244 -13.023 1.00 0.00 ATOM 518 C GLU 68 -7.470 1.852 -12.156 1.00 0.00 ATOM 519 N ALA 69 -7.357 2.335 -10.891 1.00 0.00 ATOM 520 CA ALA 69 -6.508 3.489 -10.589 1.00 0.00 ATOM 521 CB ALA 69 -6.837 4.014 -9.207 1.00 0.00 ATOM 522 O ALA 69 -4.208 3.909 -11.190 1.00 0.00 ATOM 523 C ALA 69 -5.033 3.094 -10.756 1.00 0.00 ATOM 524 N ILE 70 -4.675 1.895 -10.308 1.00 0.00 ATOM 525 CA ILE 70 -3.289 1.443 -10.487 1.00 0.00 ATOM 526 CB ILE 70 -3.115 0.017 -9.884 1.00 0.00 ATOM 527 CG1 ILE 70 -3.147 0.107 -8.358 1.00 0.00 ATOM 528 CG2 ILE 70 -1.809 -0.622 -10.369 1.00 0.00 ATOM 529 CD1 ILE 70 -3.232 -1.239 -7.666 1.00 0.00 ATOM 530 O ILE 70 -1.832 1.846 -12.369 1.00 0.00 ATOM 531 C ILE 70 -2.909 1.392 -11.973 1.00 0.00 ATOM 532 N LYS 71 -3.799 0.838 -12.806 1.00 0.00 ATOM 533 CA LYS 71 -3.581 0.738 -14.245 1.00 0.00 ATOM 534 CB LYS 71 -4.670 -0.105 -14.916 1.00 0.00 ATOM 535 CG LYS 71 -4.629 -1.562 -14.525 1.00 0.00 ATOM 536 CD LYS 71 -5.623 -2.358 -15.349 1.00 0.00 ATOM 537 CE LYS 71 -5.238 -3.792 -15.318 1.00 0.00 ATOM 538 NZ LYS 71 -6.468 -4.586 -15.698 1.00 0.00 ATOM 539 O LYS 71 -2.827 2.236 -15.996 1.00 0.00 ATOM 540 C LYS 71 -3.353 2.100 -14.889 1.00 0.00 ATOM 541 N LYS 72 -4.017 3.096 -14.308 1.00 0.00 ATOM 542 CA LYS 72 -3.927 4.475 -14.722 1.00 0.00 ATOM 543 CB LYS 72 -5.244 5.204 -14.446 1.00 0.00 ATOM 544 CG LYS 72 -6.422 4.686 -15.254 1.00 0.00 ATOM 545 CD LYS 72 -7.696 5.449 -14.927 1.00 0.00 ATOM 546 CE LYS 72 -8.884 4.895 -15.695 1.00 0.00 ATOM 547 NZ LYS 72 -10.133 5.653 -15.405 1.00 0.00 ATOM 548 O LYS 72 -2.486 6.371 -14.565 1.00 0.00 ATOM 549 C LYS 72 -2.750 5.258 -14.130 1.00 0.00 ATOM 550 N ILE 73 -1.991 4.729 -13.078 1.00 0.00 ATOM 551 CA ILE 73 -0.870 5.390 -12.423 1.00 0.00 ATOM 552 CB ILE 73 -0.395 4.616 -11.178 1.00 0.00 ATOM 553 CG1 ILE 73 -1.473 4.641 -10.093 1.00 0.00 ATOM 554 CG2 ILE 73 0.873 5.239 -10.615 1.00 0.00 ATOM 555 CD1 ILE 73 -1.202 3.696 -8.942 1.00 0.00 ATOM 556 O ILE 73 0.473 4.561 -14.254 1.00 0.00 ATOM 557 C ILE 73 0.252 5.463 -13.446 1.00 0.00 ATOM 558 N GLU 74 1.050 6.565 -13.493 1.00 0.00 ATOM 559 CA GLU 74 2.156 6.764 -14.396 1.00 0.00 ATOM 560 CB GLU 74 2.694 8.195 -14.333 1.00 0.00 ATOM 561 CG GLU 74 1.784 9.229 -14.978 1.00 0.00 ATOM 562 CD GLU 74 2.306 10.643 -14.819 1.00 0.00 ATOM 563 OE1 GLU 74 3.335 10.823 -14.131 1.00 0.00 ATOM 564 OE2 GLU 74 1.688 11.571 -15.381 1.00 0.00 ATOM 565 O GLU 74 3.934 5.308 -14.959 1.00 0.00 ATOM 566 C GLU 74 3.191 5.712 -14.080 1.00 0.00 ATOM 567 N GLY 75 3.225 5.290 -12.743 1.00 0.00 ATOM 568 CA GLY 75 4.180 4.287 -12.317 1.00 0.00 ATOM 569 O GLY 75 4.712 1.994 -12.614 1.00 0.00 ATOM 570 C GLY 75 3.831 2.858 -12.718 1.00 0.00 ATOM 571 N VAL 76 2.624 2.568 -13.154 1.00 0.00 ATOM 572 CA VAL 76 2.167 1.226 -13.481 1.00 0.00 ATOM 573 CB VAL 76 0.734 0.979 -12.976 1.00 0.00 ATOM 574 CG1 VAL 76 0.259 -0.409 -13.379 1.00 0.00 ATOM 575 CG2 VAL 76 0.679 1.083 -11.459 1.00 0.00 ATOM 576 O VAL 76 1.401 1.539 -15.768 1.00 0.00 ATOM 577 C VAL 76 2.165 0.985 -15.001 1.00 0.00 ATOM 578 N ASN 77 2.794 -0.135 -15.354 1.00 0.00 ATOM 579 CA ASN 77 2.851 -0.644 -16.714 1.00 0.00 ATOM 580 CB ASN 77 4.204 -1.305 -16.982 1.00 0.00 ATOM 581 CG ASN 77 5.355 -0.320 -16.931 1.00 0.00 ATOM 582 ND2 ASN 77 6.539 -0.812 -16.587 1.00 0.00 ATOM 583 OD1 ASN 77 5.179 0.869 -17.199 1.00 0.00 ATOM 584 O ASN 77 1.317 -1.830 -18.088 1.00 0.00 ATOM 585 C ASN 77 1.762 -1.677 -16.954 1.00 0.00 ATOM 586 N ASN 78 1.441 -2.416 -15.898 1.00 0.00 ATOM 587 CA ASN 78 0.322 -3.389 -16.052 1.00 0.00 ATOM 588 CB ASN 78 0.867 -4.794 -16.323 1.00 0.00 ATOM 589 CG ASN 78 -0.225 -5.781 -16.681 1.00 0.00 ATOM 590 ND2 ASN 78 0.038 -7.062 -16.451 1.00 0.00 ATOM 591 OD1 ASN 78 -1.292 -5.397 -17.160 1.00 0.00 ATOM 592 O ASN 78 0.237 -3.583 -13.781 1.00 0.00 ATOM 593 C ASN 78 -0.495 -3.407 -14.772 1.00 0.00 ATOM 594 N VAL 79 -1.301 -5.125 -14.422 1.00 0.00 ATOM 595 CA VAL 79 -1.544 -6.483 -13.920 1.00 0.00 ATOM 596 CB VAL 79 -0.555 -6.854 -12.801 1.00 0.00 ATOM 597 CG1 VAL 79 0.877 -6.807 -13.316 1.00 0.00 ATOM 598 CG2 VAL 79 -0.678 -5.884 -11.635 1.00 0.00 ATOM 599 O VAL 79 -3.538 -5.671 -12.920 1.00 0.00 ATOM 600 C VAL 79 -2.925 -6.644 -13.352 1.00 0.00 ATOM 601 N GLU 80 -3.398 -7.885 -13.366 1.00 0.00 ATOM 602 CA GLU 80 -4.628 -8.213 -12.690 1.00 0.00 ATOM 603 CB GLU 80 -5.067 -9.637 -13.034 1.00 0.00 ATOM 604 CG GLU 80 -5.507 -9.819 -14.479 1.00 0.00 ATOM 605 CD GLU 80 -5.936 -11.240 -14.782 1.00 0.00 ATOM 606 OE1 GLU 80 -5.852 -12.093 -13.874 1.00 0.00 ATOM 607 OE2 GLU 80 -6.356 -11.501 -15.930 1.00 0.00 ATOM 608 O GLU 80 -3.146 -8.385 -10.776 1.00 0.00 ATOM 609 C GLU 80 -4.248 -8.060 -11.201 1.00 0.00 ATOM 610 N VAL 81 -5.213 -7.739 -10.358 1.00 0.00 ATOM 611 CA VAL 81 -4.917 -7.634 -8.953 1.00 0.00 ATOM 612 CB VAL 81 -5.056 -6.169 -8.444 1.00 0.00 ATOM 613 CG1 VAL 81 -4.665 -6.071 -6.968 1.00 0.00 ATOM 614 CG2 VAL 81 -4.190 -5.240 -9.281 1.00 0.00 ATOM 615 O VAL 81 -7.011 -8.584 -8.250 1.00 0.00 ATOM 616 C VAL 81 -5.795 -8.469 -8.026 1.00 0.00 ATOM 617 N GLU 82 -5.184 -9.026 -6.973 1.00 0.00 ATOM 618 CA GLU 82 -5.925 -9.761 -5.948 1.00 0.00 ATOM 619 CB GLU 82 -5.576 -11.250 -5.999 1.00 0.00 ATOM 620 CG GLU 82 -5.980 -11.938 -7.292 1.00 0.00 ATOM 621 CD GLU 82 -5.620 -13.409 -7.305 1.00 0.00 ATOM 622 OE1 GLU 82 -5.043 -13.890 -6.308 1.00 0.00 ATOM 623 OE2 GLU 82 -5.917 -14.085 -8.314 1.00 0.00 ATOM 624 O GLU 82 -4.375 -8.687 -4.567 1.00 0.00 ATOM 625 C GLU 82 -5.500 -9.110 -4.676 1.00 0.00 ATOM 626 N LEU 83 -6.362 -9.075 -3.756 1.00 0.00 ATOM 627 CA LEU 83 -6.022 -8.537 -2.434 1.00 0.00 ATOM 628 CB LEU 83 -7.164 -7.641 -1.951 1.00 0.00 ATOM 629 CG LEU 83 -7.533 -6.467 -2.861 1.00 0.00 ATOM 630 CD1 LEU 83 -8.739 -5.718 -2.311 1.00 0.00 ATOM 631 CD2 LEU 83 -6.376 -5.487 -2.972 1.00 0.00 ATOM 632 O LEU 83 -6.741 -10.194 -0.957 1.00 0.00 ATOM 633 C LEU 83 -5.755 -9.564 -1.339 1.00 0.00 ATOM 634 N THR 84 -4.582 -9.438 -0.596 1.00 0.00 ATOM 635 CA THR 84 -4.546 -10.089 0.710 1.00 0.00 ATOM 636 CB THR 84 -3.522 -11.239 0.738 1.00 0.00 ATOM 637 CG2 THR 84 -3.854 -12.274 -0.324 1.00 0.00 ATOM 638 OG1 THR 84 -2.210 -10.720 0.490 1.00 0.00 ATOM 639 O THR 84 -3.455 -8.047 1.391 1.00 0.00 ATOM 640 C THR 84 -4.153 -9.018 1.722 1.00 0.00 ATOM 641 N PHE 85 -4.594 -9.208 2.958 1.00 0.00 ATOM 642 CA PHE 85 -4.319 -8.265 4.034 1.00 0.00 ATOM 643 CB PHE 85 -5.582 -7.482 4.395 1.00 0.00 ATOM 644 CG PHE 85 -6.169 -6.716 3.245 1.00 0.00 ATOM 645 CD1 PHE 85 -7.223 -7.238 2.513 1.00 0.00 ATOM 646 CD2 PHE 85 -5.670 -5.474 2.893 1.00 0.00 ATOM 647 CE1 PHE 85 -7.765 -6.533 1.454 1.00 0.00 ATOM 648 CE2 PHE 85 -6.212 -4.770 1.832 1.00 0.00 ATOM 649 CZ PHE 85 -7.255 -5.295 1.116 1.00 0.00 ATOM 650 O PHE 85 -4.196 -10.151 5.505 1.00 0.00 ATOM 651 C PHE 85 -3.836 -9.003 5.283 1.00 0.00 ATOM 652 N ASP 86 -3.165 -8.038 6.028 1.00 0.00 ATOM 653 CA ASP 86 -2.941 -8.518 7.392 1.00 0.00 ATOM 654 CB ASP 86 -1.454 -8.772 7.586 1.00 0.00 ATOM 655 CG ASP 86 -1.140 -9.300 8.970 1.00 0.00 ATOM 656 OD1 ASP 86 -1.965 -9.125 9.891 1.00 0.00 ATOM 657 OD2 ASP 86 -0.051 -9.888 9.136 1.00 0.00 ATOM 658 O ASP 86 -2.752 -6.233 8.099 1.00 0.00 ATOM 659 C ASP 86 -3.330 -7.312 8.248 1.00 0.00 ATOM 660 N PRO 87 -4.237 -7.529 9.196 1.00 0.00 ATOM 661 CA PRO 87 -4.704 -6.432 10.055 1.00 0.00 ATOM 662 CB PRO 87 -5.679 -7.108 11.021 1.00 0.00 ATOM 663 CG PRO 87 -6.153 -8.318 10.286 1.00 0.00 ATOM 664 CD PRO 87 -4.970 -8.826 9.512 1.00 0.00 ATOM 665 O PRO 87 -2.464 -6.443 10.875 1.00 0.00 ATOM 666 C PRO 87 -3.508 -5.823 10.773 1.00 0.00 ATOM 667 N PRO 88 -3.492 -4.514 10.942 1.00 0.00 ATOM 668 CA PRO 88 -2.386 -3.848 11.633 1.00 0.00 ATOM 669 CB PRO 88 -2.879 -2.425 11.756 1.00 0.00 ATOM 670 CG PRO 88 -4.371 -2.620 12.008 1.00 0.00 ATOM 671 CD PRO 88 -4.764 -3.788 11.111 1.00 0.00 ATOM 672 O PRO 88 -3.139 -4.752 13.727 1.00 0.00 ATOM 673 C PRO 88 -2.180 -4.404 13.037 1.00 0.00 ATOM 674 N TRP 89 -0.923 -4.469 13.460 1.00 0.00 ATOM 675 CA TRP 89 -0.579 -4.962 14.787 1.00 0.00 ATOM 676 CB TRP 89 0.851 -5.504 14.817 1.00 0.00 ATOM 677 CG TRP 89 1.032 -6.760 14.018 1.00 0.00 ATOM 678 CD1 TRP 89 1.569 -6.864 12.768 1.00 0.00 ATOM 679 CD2 TRP 89 0.677 -8.090 14.416 1.00 0.00 ATOM 680 CE2 TRP 89 1.028 -8.950 13.357 1.00 0.00 ATOM 681 CE3 TRP 89 0.097 -8.637 15.564 1.00 0.00 ATOM 682 NE1 TRP 89 1.571 -8.178 12.360 1.00 0.00 ATOM 683 CZ2 TRP 89 0.817 -10.326 13.412 1.00 0.00 ATOM 684 CZ3 TRP 89 -0.109 -10.002 15.615 1.00 0.00 ATOM 685 CH2 TRP 89 0.248 -10.834 14.547 1.00 0.00 ATOM 686 O TRP 89 -0.247 -2.713 15.539 1.00 0.00 ATOM 687 C TRP 89 -0.702 -3.829 15.794 1.00 0.00 ATOM 688 N THR 90 -1.287 -4.124 16.946 1.00 0.00 ATOM 689 CA THR 90 -1.413 -3.137 18.010 1.00 0.00 ATOM 690 CB THR 90 -2.694 -3.343 18.842 1.00 0.00 ATOM 691 CG2 THR 90 -3.922 -3.282 17.950 1.00 0.00 ATOM 692 OG1 THR 90 -2.648 -4.624 19.484 1.00 0.00 ATOM 693 O THR 90 0.446 -4.352 18.934 1.00 0.00 ATOM 694 C THR 90 -0.194 -3.293 18.914 1.00 0.00 ATOM 695 N PRO 91 0.068 -2.277 19.725 1.00 0.00 ATOM 696 CA PRO 91 1.206 -2.313 20.656 1.00 0.00 ATOM 697 CB PRO 91 1.066 -1.019 21.462 1.00 0.00 ATOM 698 CG PRO 91 0.363 -0.078 20.541 1.00 0.00 ATOM 699 CD PRO 91 -0.646 -0.905 19.794 1.00 0.00 ATOM 700 O PRO 91 2.211 -4.111 21.821 1.00 0.00 ATOM 701 C PRO 91 1.161 -3.526 21.563 1.00 0.00 ATOM 702 N GLU 92 -0.077 -3.864 21.996 1.00 0.00 ATOM 703 CA GLU 92 -0.373 -5.002 22.842 1.00 0.00 ATOM 704 CB GLU 92 -1.856 -5.021 23.215 1.00 0.00 ATOM 705 CG GLU 92 -2.250 -6.162 24.141 1.00 0.00 ATOM 706 CD GLU 92 -3.717 -6.128 24.517 1.00 0.00 ATOM 707 OE1 GLU 92 -4.427 -5.206 24.063 1.00 0.00 ATOM 708 OE2 GLU 92 -4.161 -7.025 25.265 1.00 0.00 ATOM 709 O GLU 92 0.605 -7.218 22.582 1.00 0.00 ATOM 710 C GLU 92 -0.026 -6.261 22.075 1.00 0.00 ATOM 711 N ARG 93 -0.424 -6.338 20.841 1.00 0.00 ATOM 712 CA ARG 93 -0.073 -7.519 20.058 1.00 0.00 ATOM 713 CB ARG 93 -1.278 -7.972 19.264 1.00 0.00 ATOM 714 CG ARG 93 -2.293 -8.745 20.043 1.00 0.00 ATOM 715 CD ARG 93 -3.502 -9.016 19.215 1.00 0.00 ATOM 716 NE ARG 93 -3.194 -9.821 18.035 1.00 0.00 ATOM 717 CZ ARG 93 -3.765 -9.659 16.848 1.00 0.00 ATOM 718 NH1 ARG 93 -4.671 -8.692 16.648 1.00 0.00 ATOM 719 NH2 ARG 93 -3.420 -10.466 15.850 1.00 0.00 ATOM 720 O ARG 93 1.461 -8.103 18.311 1.00 0.00 ATOM 721 C ARG 93 1.168 -7.303 19.209 1.00 0.00 ATOM 722 N MET 94 2.196 -6.082 19.566 1.00 0.00 ATOM 723 CA MET 94 3.338 -5.881 18.688 1.00 0.00 ATOM 724 CB MET 94 3.759 -4.410 18.686 1.00 0.00 ATOM 725 CG MET 94 2.794 -3.490 17.956 1.00 0.00 ATOM 726 SD MET 94 3.317 -1.766 17.988 1.00 0.00 ATOM 727 CE MET 94 2.009 -0.996 17.037 1.00 0.00 ATOM 728 O MET 94 4.800 -6.938 20.281 1.00 0.00 ATOM 729 C MET 94 4.562 -6.692 19.098 1.00 0.00 ATOM 730 N SER 95 5.267 -7.221 18.100 1.00 0.00 ATOM 731 CA SER 95 6.500 -7.954 18.394 1.00 0.00 ATOM 732 CB SER 95 7.004 -8.677 17.143 1.00 0.00 ATOM 733 OG SER 95 7.442 -7.754 16.161 1.00 0.00 ATOM 734 O SER 95 7.502 -5.762 18.670 1.00 0.00 ATOM 735 C SER 95 7.577 -6.982 18.876 1.00 0.00 ATOM 736 N PRO 96 8.588 -7.518 19.530 1.00 0.00 ATOM 737 CA PRO 96 9.648 -6.648 20.002 1.00 0.00 ATOM 738 CB PRO 96 10.642 -7.581 20.718 1.00 0.00 ATOM 739 CG PRO 96 9.749 -8.733 21.198 1.00 0.00 ATOM 740 CD PRO 96 8.606 -8.860 20.207 1.00 0.00 ATOM 741 O PRO 96 10.512 -4.673 18.923 1.00 0.00 ATOM 742 C PRO 96 10.259 -5.874 18.828 1.00 0.00 ATOM 743 N GLU 97 10.433 -6.565 17.715 1.00 0.00 ATOM 744 CA GLU 97 11.009 -5.957 16.522 1.00 0.00 ATOM 745 CB GLU 97 11.163 -6.993 15.408 1.00 0.00 ATOM 746 CG GLU 97 11.794 -6.449 14.137 1.00 0.00 ATOM 747 CD GLU 97 11.961 -7.510 13.066 1.00 0.00 ATOM 748 OE1 GLU 97 11.595 -8.675 13.324 1.00 0.00 ATOM 749 OE2 GLU 97 12.457 -7.176 11.971 1.00 0.00 ATOM 750 O GLU 97 10.565 -3.722 15.774 1.00 0.00 ATOM 751 C GLU 97 10.112 -4.842 16.000 1.00 0.00 ATOM 752 N LEU 98 8.811 -5.111 15.899 1.00 0.00 ATOM 753 CA LEU 98 7.867 -4.112 15.427 1.00 0.00 ATOM 754 CB LEU 98 6.476 -4.732 15.278 1.00 0.00 ATOM 755 CG LEU 98 6.317 -5.782 14.175 1.00 0.00 ATOM 756 CD1 LEU 98 4.939 -6.424 14.238 1.00 0.00 ATOM 757 CD2 LEU 98 6.484 -5.149 12.802 1.00 0.00 ATOM 758 O LEU 98 7.525 -1.822 16.136 1.00 0.00 ATOM 759 C LEU 98 7.807 -2.980 16.437 1.00 0.00 ATOM 760 N ARG 99 7.880 -3.332 17.720 1.00 0.00 ATOM 761 CA ARG 99 7.830 -2.296 18.746 1.00 0.00 ATOM 762 CB ARG 99 8.002 -2.946 20.121 1.00 0.00 ATOM 763 CG ARG 99 6.812 -3.782 20.567 1.00 0.00 ATOM 764 CD ARG 99 7.070 -4.432 21.916 1.00 0.00 ATOM 765 NE ARG 99 5.954 -5.280 22.337 1.00 0.00 ATOM 766 CZ ARG 99 5.947 -6.006 23.449 1.00 0.00 ATOM 767 NH1 ARG 99 4.890 -6.746 23.751 1.00 0.00 ATOM 768 NH2 ARG 99 6.999 -5.991 24.258 1.00 0.00 ATOM 769 O ARG 99 8.705 -0.073 18.509 1.00 0.00 ATOM 770 C ARG 99 8.952 -1.281 18.532 1.00 0.00 ATOM 771 N GLU 100 10.170 -1.769 18.306 1.00 0.00 ATOM 772 CA GLU 100 11.311 -0.885 18.070 1.00 0.00 ATOM 773 CB GLU 100 12.556 -1.733 17.922 1.00 0.00 ATOM 774 CG GLU 100 13.811 -0.985 17.561 1.00 0.00 ATOM 775 CD GLU 100 15.007 -1.910 17.496 1.00 0.00 ATOM 776 OE1 GLU 100 15.179 -2.594 16.461 1.00 0.00 ATOM 777 OE2 GLU 100 15.763 -1.967 18.492 1.00 0.00 ATOM 778 O GLU 100 11.374 1.121 16.752 1.00 0.00 ATOM 779 C GLU 100 11.087 -0.076 16.802 1.00 0.00 ATOM 780 N LYS 101 10.575 -0.744 15.773 1.00 0.00 ATOM 781 CA LYS 101 10.309 -0.113 14.485 1.00 0.00 ATOM 782 CB LYS 101 9.753 -1.135 13.493 1.00 0.00 ATOM 783 CG LYS 101 10.769 -2.167 13.029 1.00 0.00 ATOM 784 CD LYS 101 10.150 -3.153 12.053 1.00 0.00 ATOM 785 CE LYS 101 11.163 -4.188 11.593 1.00 0.00 ATOM 786 NZ LYS 101 10.562 -5.180 10.660 1.00 0.00 ATOM 787 O LYS 101 9.517 2.066 13.928 1.00 0.00 ATOM 788 C LYS 101 9.325 1.019 14.582 1.00 0.00 ATOM 789 N PHE 102 8.318 0.909 15.431 1.00 0.00 ATOM 790 CA PHE 102 7.346 1.987 15.602 1.00 0.00 ATOM 791 CB PHE 102 5.938 1.406 15.799 1.00 0.00 ATOM 792 CG PHE 102 5.412 0.679 14.601 1.00 0.00 ATOM 793 CD1 PHE 102 5.096 1.370 13.434 1.00 0.00 ATOM 794 CD2 PHE 102 5.242 -0.705 14.632 1.00 0.00 ATOM 795 CE1 PHE 102 4.616 0.694 12.313 1.00 0.00 ATOM 796 CE2 PHE 102 4.765 -1.394 13.520 1.00 0.00 ATOM 797 CZ PHE 102 4.449 -0.694 12.356 1.00 0.00 ATOM 798 O PHE 102 6.851 3.730 17.122 1.00 0.00 ATOM 799 C PHE 102 7.657 2.886 16.776 1.00 0.00 ATOM 800 N GLY 103 8.663 2.540 17.554 1.00 0.00 ATOM 801 CA GLY 103 9.026 3.351 18.703 1.00 0.00 ATOM 802 O GLY 103 7.548 4.166 20.371 1.00 0.00 ATOM 803 C GLY 103 8.084 3.171 19.878 1.00 0.00 ATOM 804 N VAL 104 7.555 1.962 20.036 1.00 0.00 ATOM 805 CA VAL 104 6.645 1.662 21.136 1.00 0.00 ATOM 806 CB VAL 104 5.235 1.290 20.617 1.00 0.00 ATOM 807 CG1 VAL 104 4.654 2.447 19.820 1.00 0.00 ATOM 808 CG2 VAL 104 5.306 0.039 19.756 1.00 0.00 ATOM 809 O VAL 104 8.229 -0.072 21.588 1.00 0.00 ATOM 810 C VAL 104 7.200 0.498 21.945 1.00 0.00 TER END