PFRMAT TS TARGET T0243 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 try1-opt2, the result of our fully automatic prediction method. METHOD REMARK 6 REMARK 6 T0243 model 5 Tue Aug 10 18:56:51 2004 MODEL 5 PARENT 1jgs_A 1lnw_A 1hmj_A 1b4m 1s3j_A REMARK 7 REMARK 7 ALLPARENTS 1jgs_A 1lnw_A 1hmj_A 1b4m 1s3j_A 1fzp_B 1hss_A REMARK 7 ALLPARENTS 1ub9_A 1suv_E 1jf8_A ATOM 1 N MET 1 7.304 5.690 -15.136 1.00 0.00 ATOM 2 CA MET 1 7.584 4.299 -15.498 1.00 0.00 ATOM 3 CB MET 1 8.548 4.237 -16.685 1.00 0.00 ATOM 4 CG MET 1 7.945 4.710 -17.997 1.00 0.00 ATOM 5 SD MET 1 6.536 3.712 -18.518 1.00 0.00 ATOM 6 CE MET 1 7.346 2.167 -18.918 1.00 0.00 ATOM 7 O MET 1 7.917 2.344 -14.146 1.00 0.00 ATOM 8 C MET 1 8.220 3.530 -14.339 1.00 0.00 ATOM 9 N LYS 2 9.087 4.211 -13.582 1.00 0.00 ATOM 10 CA LYS 2 9.712 3.646 -12.382 1.00 0.00 ATOM 11 CB LYS 2 10.681 4.652 -11.759 1.00 0.00 ATOM 12 CG LYS 2 11.937 4.895 -12.579 1.00 0.00 ATOM 13 CD LYS 2 12.852 5.904 -11.904 1.00 0.00 ATOM 14 CE LYS 2 14.096 6.165 -12.737 1.00 0.00 ATOM 15 NZ LYS 2 14.985 7.178 -12.105 1.00 0.00 ATOM 16 O LYS 2 8.567 2.191 -10.865 1.00 0.00 ATOM 17 C LYS 2 8.621 3.301 -11.363 1.00 0.00 ATOM 18 N ILE 3 7.760 4.275 -11.076 1.00 0.00 ATOM 19 CA ILE 3 6.703 4.096 -10.094 1.00 0.00 ATOM 20 CB ILE 3 6.035 5.450 -9.785 1.00 0.00 ATOM 21 CG1 ILE 3 7.073 6.434 -9.224 1.00 0.00 ATOM 22 CG2 ILE 3 4.888 5.266 -8.810 1.00 0.00 ATOM 23 CD1 ILE 3 6.585 7.866 -9.104 1.00 0.00 ATOM 24 O ILE 3 5.236 2.200 -9.870 1.00 0.00 ATOM 25 C ILE 3 5.685 3.073 -10.611 1.00 0.00 ATOM 26 N ARG 4 5.446 3.250 -11.973 1.00 0.00 ATOM 27 CA ARG 4 4.489 2.336 -12.598 1.00 0.00 ATOM 28 CB ARG 4 4.285 2.672 -14.080 1.00 0.00 ATOM 29 CG ARG 4 3.640 4.018 -14.354 1.00 0.00 ATOM 30 CD ARG 4 3.299 4.230 -15.824 1.00 0.00 ATOM 31 NE ARG 4 2.861 5.597 -16.079 1.00 0.00 ATOM 32 CZ ARG 4 3.602 6.522 -16.671 1.00 0.00 ATOM 33 NH1 ARG 4 4.827 6.231 -17.084 1.00 0.00 ATOM 34 NH2 ARG 4 3.116 7.743 -16.859 1.00 0.00 ATOM 35 O ARG 4 4.102 -0.008 -12.246 1.00 0.00 ATOM 36 C ARG 4 4.931 0.879 -12.450 1.00 0.00 ATOM 37 N LYS 5 6.233 0.635 -12.582 1.00 0.00 ATOM 38 CA LYS 5 6.782 -0.711 -12.448 1.00 0.00 ATOM 39 CB LYS 5 8.283 -0.711 -12.740 1.00 0.00 ATOM 40 CG LYS 5 8.638 -0.407 -14.186 1.00 0.00 ATOM 41 CD LYS 5 10.144 -0.354 -14.384 1.00 0.00 ATOM 42 CE LYS 5 10.503 -0.049 -15.827 1.00 0.00 ATOM 43 NZ LYS 5 11.976 0.023 -16.024 1.00 0.00 ATOM 44 O LYS 5 6.167 -2.446 -10.907 1.00 0.00 ATOM 45 C LYS 5 6.518 -1.276 -11.056 1.00 0.00 ATOM 46 N TYR 6 6.656 -0.429 -10.026 1.00 0.00 ATOM 47 CA TYR 6 6.413 -0.839 -8.662 1.00 0.00 ATOM 48 CB TYR 6 6.760 0.284 -7.683 1.00 0.00 ATOM 49 CG TYR 6 8.245 0.456 -7.451 1.00 0.00 ATOM 50 CD1 TYR 6 8.947 1.486 -8.063 1.00 0.00 ATOM 51 CD2 TYR 6 8.940 -0.413 -6.619 1.00 0.00 ATOM 52 CE1 TYR 6 10.303 1.652 -7.856 1.00 0.00 ATOM 53 CE2 TYR 6 10.296 -0.263 -6.400 1.00 0.00 ATOM 54 CZ TYR 6 10.975 0.780 -7.028 1.00 0.00 ATOM 55 OH TYR 6 12.325 0.942 -6.820 1.00 0.00 ATOM 56 O TYR 6 4.576 -2.231 -8.045 1.00 0.00 ATOM 57 C TYR 6 4.922 -1.167 -8.513 1.00 0.00 ATOM 58 N MET 7 3.983 -0.226 -8.938 1.00 0.00 ATOM 59 CA MET 7 2.550 -0.478 -8.818 1.00 0.00 ATOM 60 CB MET 7 1.751 0.714 -9.346 1.00 0.00 ATOM 61 CG MET 7 1.847 1.959 -8.481 1.00 0.00 ATOM 62 SD MET 7 1.211 1.700 -6.814 1.00 0.00 ATOM 63 CE MET 7 -0.539 1.511 -7.146 1.00 0.00 ATOM 64 O MET 7 1.284 -2.477 -9.191 1.00 0.00 ATOM 65 C MET 7 2.097 -1.696 -9.634 1.00 0.00 ATOM 66 N ARG 8 2.684 -1.895 -10.810 1.00 0.00 ATOM 67 CA ARG 8 2.301 -3.033 -11.635 1.00 0.00 ATOM 68 CB ARG 8 2.906 -2.855 -13.061 1.00 0.00 ATOM 69 CG ARG 8 2.436 -1.641 -13.836 1.00 0.00 ATOM 70 CD ARG 8 3.331 -1.478 -15.052 1.00 0.00 ATOM 71 NE ARG 8 3.039 -0.283 -15.841 1.00 0.00 ATOM 72 CZ ARG 8 3.822 0.165 -16.818 1.00 0.00 ATOM 73 NH1 ARG 8 4.945 -0.482 -17.118 1.00 0.00 ATOM 74 NH2 ARG 8 3.482 1.256 -17.498 1.00 0.00 ATOM 75 O ARG 8 1.939 -5.360 -11.145 1.00 0.00 ATOM 76 C ARG 8 2.683 -4.364 -11.005 1.00 0.00 ATOM 77 N ILE 9 3.847 -4.411 -10.366 1.00 0.00 ATOM 78 CA ILE 9 4.245 -5.633 -9.680 1.00 0.00 ATOM 79 CB ILE 9 5.673 -5.524 -9.195 1.00 0.00 ATOM 80 CG1 ILE 9 6.599 -5.621 -10.414 1.00 0.00 ATOM 81 CG2 ILE 9 5.956 -6.566 -8.097 1.00 0.00 ATOM 82 CD1 ILE 9 8.046 -5.141 -10.150 1.00 0.00 ATOM 83 O ILE 9 2.906 -7.063 -8.313 1.00 0.00 ATOM 84 C ILE 9 3.297 -5.919 -8.518 1.00 0.00 ATOM 85 N ASN 10 2.876 -4.890 -7.783 1.00 0.00 ATOM 86 CA ASN 10 1.952 -5.140 -6.673 1.00 0.00 ATOM 87 CB ASN 10 1.727 -3.867 -5.864 1.00 0.00 ATOM 88 CG ASN 10 2.946 -3.440 -5.111 1.00 0.00 ATOM 89 ND2 ASN 10 3.126 -2.125 -4.977 1.00 0.00 ATOM 90 OD1 ASN 10 3.720 -4.273 -4.628 1.00 0.00 ATOM 91 O ASN 10 0.025 -6.570 -6.554 1.00 0.00 ATOM 92 C ASN 10 0.608 -5.676 -7.159 1.00 0.00 ATOM 93 N TYR 11 0.107 -5.113 -8.264 1.00 0.00 ATOM 94 CA TYR 11 -1.168 -5.521 -8.821 1.00 0.00 ATOM 95 CB TYR 11 -1.521 -4.696 -10.058 1.00 0.00 ATOM 96 CG TYR 11 -2.860 -5.043 -10.666 1.00 0.00 ATOM 97 CD1 TYR 11 -4.043 -4.614 -10.075 1.00 0.00 ATOM 98 CD2 TYR 11 -2.941 -5.799 -11.828 1.00 0.00 ATOM 99 CE1 TYR 11 -5.272 -4.927 -10.622 1.00 0.00 ATOM 100 CE2 TYR 11 -4.162 -6.122 -12.390 1.00 0.00 ATOM 101 CZ TYR 11 -5.332 -5.679 -11.776 1.00 0.00 ATOM 102 OH TYR 11 -6.555 -5.991 -12.323 1.00 0.00 ATOM 103 O TYR 11 -1.959 -7.761 -8.772 1.00 0.00 ATOM 104 C TYR 11 -1.146 -6.986 -9.239 1.00 0.00 ATOM 105 N TYR 12 -0.237 -7.359 -10.132 1.00 0.00 ATOM 106 CA TYR 12 -0.078 -8.771 -10.511 1.00 0.00 ATOM 107 CB TYR 12 0.996 -8.919 -11.589 1.00 0.00 ATOM 108 CG TYR 12 0.571 -8.411 -12.950 1.00 0.00 ATOM 109 CD1 TYR 12 1.039 -7.195 -13.432 1.00 0.00 ATOM 110 CD2 TYR 12 -0.294 -9.149 -13.746 1.00 0.00 ATOM 111 CE1 TYR 12 0.656 -6.723 -14.674 1.00 0.00 ATOM 112 CE2 TYR 12 -0.687 -8.693 -14.991 1.00 0.00 ATOM 113 CZ TYR 12 -0.204 -7.469 -15.450 1.00 0.00 ATOM 114 OH TYR 12 -0.586 -7.000 -16.687 1.00 0.00 ATOM 115 O TYR 12 0.124 -10.879 -9.430 1.00 0.00 ATOM 116 C TYR 12 0.333 -9.662 -9.353 1.00 0.00 ATOM 117 N ILE 13 1.020 -9.083 -8.173 1.00 0.00 ATOM 118 CA ILE 13 1.507 -9.809 -7.017 1.00 0.00 ATOM 119 CB ILE 13 2.741 -9.128 -6.400 1.00 0.00 ATOM 120 CG1 ILE 13 3.886 -9.078 -7.414 1.00 0.00 ATOM 121 CG2 ILE 13 3.215 -9.893 -5.174 1.00 0.00 ATOM 122 CD1 ILE 13 5.032 -8.181 -6.999 1.00 0.00 ATOM 123 O ILE 13 1.035 -10.543 -4.807 1.00 0.00 ATOM 124 C ILE 13 0.583 -10.051 -5.836 1.00 0.00 ATOM 125 N ILE 14 -0.816 -9.807 -5.873 1.00 0.00 ATOM 126 CA ILE 14 -1.745 -10.035 -4.771 1.00 0.00 ATOM 127 CB ILE 14 -3.150 -9.500 -5.155 1.00 0.00 ATOM 128 CG1 ILE 14 -3.013 -8.092 -5.756 1.00 0.00 ATOM 129 CG2 ILE 14 -4.079 -9.473 -3.937 1.00 0.00 ATOM 130 CD1 ILE 14 -4.330 -7.432 -6.144 1.00 0.00 ATOM 131 O ILE 14 -1.957 -12.382 -5.234 1.00 0.00 ATOM 132 C ILE 14 -1.896 -11.506 -4.378 1.00 0.00 ATOM 133 N LEU 15 -1.897 -11.793 -3.089 1.00 0.00 ATOM 134 CA LEU 15 -2.106 -13.158 -2.626 1.00 0.00 ATOM 135 CB LEU 15 -2.034 -13.270 -1.140 1.00 0.00 ATOM 136 CG LEU 15 -0.657 -12.858 -0.610 1.00 0.00 ATOM 137 CD1 LEU 15 -0.636 -12.973 0.898 1.00 0.00 ATOM 138 CD2 LEU 15 0.421 -13.733 -1.229 1.00 0.00 ATOM 139 O LEU 15 -3.506 -14.848 -3.535 1.00 0.00 ATOM 140 C LEU 15 -3.452 -13.710 -3.075 1.00 0.00 ATOM 141 N LYS 16 -4.439 -14.025 -1.624 1.00 0.00 ATOM 142 CA LYS 16 -5.812 -14.550 -1.678 1.00 0.00 ATOM 143 CB LYS 16 -5.746 -16.098 -1.547 1.00 0.00 ATOM 144 CG LYS 16 -4.920 -16.798 -2.615 1.00 0.00 ATOM 145 CD LYS 16 -5.024 -18.308 -2.491 1.00 0.00 ATOM 146 CE LYS 16 -4.268 -19.002 -3.612 1.00 0.00 ATOM 147 NZ LYS 16 -4.551 -20.464 -3.662 1.00 0.00 ATOM 148 O LYS 16 -7.871 -13.650 -0.858 1.00 0.00 ATOM 149 C LYS 16 -6.711 -13.962 -0.581 1.00 0.00 ATOM 150 N VAL 17 -6.173 -13.779 0.625 1.00 0.00 ATOM 151 CA VAL 17 -6.963 -13.235 1.723 1.00 0.00 ATOM 152 CB VAL 17 -6.178 -13.257 3.048 1.00 0.00 ATOM 153 CG1 VAL 17 -6.945 -12.516 4.133 1.00 0.00 ATOM 154 CG2 VAL 17 -5.954 -14.688 3.510 1.00 0.00 ATOM 155 O VAL 17 -8.478 -11.382 1.790 1.00 0.00 ATOM 156 C VAL 17 -7.367 -11.787 1.456 1.00 0.00 ATOM 157 N LEU 18 -6.445 -11.005 0.897 1.00 0.00 ATOM 158 CA LEU 18 -6.726 -9.626 0.523 1.00 0.00 ATOM 159 CB LEU 18 -5.469 -8.956 -0.035 1.00 0.00 ATOM 160 CG LEU 18 -4.347 -8.680 0.967 1.00 0.00 ATOM 161 CD1 LEU 18 -3.098 -8.184 0.254 1.00 0.00 ATOM 162 CD2 LEU 18 -4.771 -7.622 1.973 1.00 0.00 ATOM 163 O LEU 18 -8.737 -8.647 -0.372 1.00 0.00 ATOM 164 C LEU 18 -7.833 -9.477 -0.529 1.00 0.00 ATOM 165 N VAL 19 -7.757 -10.210 -1.744 1.00 0.00 ATOM 166 CA VAL 19 -8.754 -10.158 -2.810 1.00 0.00 ATOM 167 CB VAL 19 -8.381 -11.093 -3.976 1.00 0.00 ATOM 168 CG1 VAL 19 -9.508 -11.148 -4.996 1.00 0.00 ATOM 169 CG2 VAL 19 -7.124 -10.598 -4.674 1.00 0.00 ATOM 170 O VAL 19 -11.139 -9.882 -2.631 1.00 0.00 ATOM 171 C VAL 19 -10.153 -10.556 -2.325 1.00 0.00 ATOM 172 N ILE 20 -10.242 -11.616 -1.530 1.00 0.00 ATOM 173 CA ILE 20 -11.550 -12.056 -1.032 1.00 0.00 ATOM 174 CB ILE 20 -11.437 -13.346 -0.201 1.00 0.00 ATOM 175 CG1 ILE 20 -11.014 -14.519 -1.091 1.00 0.00 ATOM 176 CG2 ILE 20 -12.775 -13.687 0.438 1.00 0.00 ATOM 177 CD1 ILE 20 -10.623 -15.759 -0.319 1.00 0.00 ATOM 178 O ILE 20 -13.398 -10.698 -0.340 1.00 0.00 ATOM 179 C ILE 20 -12.212 -10.977 -0.174 1.00 0.00 ATOM 180 N ASN 21 -11.445 -10.348 0.731 1.00 0.00 ATOM 181 CA ASN 21 -11.975 -9.292 1.590 1.00 0.00 ATOM 182 CB ASN 21 -10.868 -8.801 2.526 1.00 0.00 ATOM 183 CG ASN 21 -10.523 -9.813 3.600 1.00 0.00 ATOM 184 ND2 ASN 21 -9.330 -9.685 4.170 1.00 0.00 ATOM 185 OD1 ASN 21 -11.320 -10.697 3.915 1.00 0.00 ATOM 186 O ASN 21 -13.572 -7.649 0.967 1.00 0.00 ATOM 187 C ASN 21 -12.495 -8.145 0.708 1.00 0.00 ATOM 188 N GLY 22 -11.683 -7.801 -0.377 1.00 0.00 ATOM 189 CA GLY 22 -12.098 -6.723 -1.304 1.00 0.00 ATOM 190 O GLY 22 -14.216 -6.117 -2.235 1.00 0.00 ATOM 191 C GLY 22 -13.380 -7.002 -2.057 1.00 0.00 ATOM 192 N SER 23 -13.540 -8.280 -2.498 1.00 0.00 ATOM 193 CA SER 23 -14.733 -8.693 -3.226 1.00 0.00 ATOM 194 CB SER 23 -14.613 -10.177 -3.584 1.00 0.00 ATOM 195 OG SER 23 -13.541 -10.398 -4.485 1.00 0.00 ATOM 196 O SER 23 -16.997 -7.969 -2.868 1.00 0.00 ATOM 197 C SER 23 -15.975 -8.450 -2.375 1.00 0.00 ATOM 198 N ARG 24 -15.908 -8.788 -1.064 1.00 0.00 ATOM 199 CA ARG 24 -17.033 -8.604 -0.159 1.00 0.00 ATOM 200 CB ARG 24 -16.741 -9.354 1.167 1.00 0.00 ATOM 201 CG ARG 24 -16.647 -10.848 1.211 1.00 0.00 ATOM 202 CD ARG 24 -16.515 -11.362 2.682 1.00 0.00 ATOM 203 NE ARG 24 -16.252 -12.813 2.558 1.00 0.00 ATOM 204 CZ ARG 24 -17.289 -13.668 2.442 1.00 0.00 ATOM 205 NH1 ARG 24 -18.498 -13.166 2.472 1.00 0.00 ATOM 206 NH2 ARG 24 -17.062 -14.956 2.311 1.00 0.00 ATOM 207 O ARG 24 -18.532 -6.780 0.219 1.00 0.00 ATOM 208 C ARG 24 -17.372 -7.124 0.033 1.00 0.00 ATOM 209 N LEU 25 -16.368 -6.250 0.011 1.00 0.00 ATOM 210 CA LEU 25 -16.624 -4.810 0.050 1.00 0.00 ATOM 211 CB LEU 25 -15.445 -3.943 0.446 1.00 0.00 ATOM 212 CG LEU 25 -14.809 -4.462 1.753 1.00 0.00 ATOM 213 CD1 LEU 25 -13.611 -3.562 2.114 1.00 0.00 ATOM 214 CD2 LEU 25 -15.840 -4.460 2.898 1.00 0.00 ATOM 215 O LEU 25 -17.304 -3.109 -1.504 1.00 0.00 ATOM 216 C LEU 25 -17.052 -4.303 -1.323 1.00 0.00 ATOM 217 N GLU 26 -17.073 -5.335 -2.285 1.00 0.00 ATOM 218 CA GLU 26 -17.433 -5.027 -3.668 1.00 0.00 ATOM 219 CB GLU 26 -18.687 -4.074 -3.640 1.00 0.00 ATOM 220 CG GLU 26 -19.905 -4.543 -2.856 1.00 0.00 ATOM 221 CD GLU 26 -20.493 -5.838 -3.389 1.00 0.00 ATOM 222 OE1 GLU 26 -20.586 -5.993 -4.626 1.00 0.00 ATOM 223 OE2 GLU 26 -20.877 -6.696 -2.569 1.00 0.00 ATOM 224 O GLU 26 -16.775 -4.014 -5.723 1.00 0.00 ATOM 225 C GLU 26 -16.445 -4.293 -4.563 1.00 0.00 ATOM 226 N LYS 27 -15.238 -4.027 -4.070 1.00 0.00 ATOM 227 CA LYS 27 -14.244 -3.246 -4.807 1.00 0.00 ATOM 228 CB LYS 27 -13.453 -2.381 -3.840 1.00 0.00 ATOM 229 CG LYS 27 -14.293 -1.310 -3.141 1.00 0.00 ATOM 230 CD LYS 27 -14.919 -0.325 -4.119 1.00 0.00 ATOM 231 CE LYS 27 -15.751 0.721 -3.379 1.00 0.00 ATOM 232 NZ LYS 27 -16.424 1.695 -4.289 1.00 0.00 ATOM 233 O LYS 27 -12.713 -5.106 -4.605 1.00 0.00 ATOM 234 C LYS 27 -13.068 -4.125 -5.262 1.00 0.00 ATOM 235 N LYS 28 -12.487 -3.765 -6.399 1.00 0.00 ATOM 236 CA LYS 28 -11.312 -4.443 -6.928 1.00 0.00 ATOM 237 CB LYS 28 -11.379 -4.519 -8.454 1.00 0.00 ATOM 238 CG LYS 28 -12.579 -5.284 -8.986 1.00 0.00 ATOM 239 CD LYS 28 -12.507 -5.444 -10.497 1.00 0.00 ATOM 240 CE LYS 28 -13.672 -6.268 -11.021 1.00 0.00 ATOM 241 NZ LYS 28 -13.615 -6.433 -12.500 1.00 0.00 ATOM 242 O LYS 28 -10.160 -2.535 -6.053 1.00 0.00 ATOM 243 C LYS 28 -10.059 -3.670 -6.520 1.00 0.00 ATOM 244 N ARG 29 -9.038 -4.540 -6.920 1.00 0.00 ATOM 245 CA ARG 29 -7.722 -3.919 -6.785 1.00 0.00 ATOM 246 CB ARG 29 -6.669 -4.937 -7.345 1.00 0.00 ATOM 247 CG ARG 29 -5.231 -4.695 -6.900 1.00 0.00 ATOM 248 CD ARG 29 -4.613 -3.506 -7.615 1.00 0.00 ATOM 249 NE ARG 29 -3.229 -3.264 -7.207 1.00 0.00 ATOM 250 CZ ARG 29 -2.859 -2.888 -5.985 1.00 0.00 ATOM 251 NH1 ARG 29 -3.767 -2.709 -5.032 1.00 0.00 ATOM 252 NH2 ARG 29 -1.575 -2.676 -5.720 1.00 0.00 ATOM 253 O ARG 29 -6.936 -1.652 -6.970 1.00 0.00 ATOM 254 C ARG 29 -7.548 -2.583 -7.509 1.00 0.00 ATOM 255 N LEU 30 -8.062 -2.475 -8.745 1.00 0.00 ATOM 256 CA LEU 30 -7.953 -1.232 -9.498 1.00 0.00 ATOM 257 CB LEU 30 -8.452 -1.429 -10.931 1.00 0.00 ATOM 258 CG LEU 30 -7.590 -2.313 -11.833 1.00 0.00 ATOM 259 CD1 LEU 30 -8.287 -2.568 -13.161 1.00 0.00 ATOM 260 CD2 LEU 30 -6.251 -1.650 -12.119 1.00 0.00 ATOM 261 O LEU 30 -8.284 0.990 -8.659 1.00 0.00 ATOM 262 C LEU 30 -8.763 -0.132 -8.823 1.00 0.00 ATOM 263 N ARG 31 -9.986 -0.452 -8.419 1.00 0.00 ATOM 264 CA ARG 31 -10.822 0.524 -7.736 1.00 0.00 ATOM 265 CB ARG 31 -12.188 -0.085 -7.416 1.00 0.00 ATOM 266 CG ARG 31 -13.075 -0.296 -8.632 1.00 0.00 ATOM 267 CD ARG 31 -14.384 -0.969 -8.252 1.00 0.00 ATOM 268 NE ARG 31 -15.236 -1.205 -9.415 1.00 0.00 ATOM 269 CZ ARG 31 -16.401 -1.843 -9.371 1.00 0.00 ATOM 270 NH1 ARG 31 -17.107 -2.010 -10.480 1.00 0.00 ATOM 271 NH2 ARG 31 -16.855 -2.312 -8.217 1.00 0.00 ATOM 272 O ARG 31 -10.208 2.102 -6.058 1.00 0.00 ATOM 273 C ARG 31 -10.150 0.943 -6.440 1.00 0.00 ATOM 274 N SER 32 -9.540 -0.003 -5.742 1.00 0.00 ATOM 275 CA SER 32 -8.868 0.291 -4.470 1.00 0.00 ATOM 276 CB SER 32 -8.383 -1.007 -3.819 1.00 0.00 ATOM 277 OG SER 32 -9.475 -1.832 -3.454 1.00 0.00 ATOM 278 O SER 32 -7.418 2.125 -3.940 1.00 0.00 ATOM 279 C SER 32 -7.687 1.213 -4.708 1.00 0.00 ATOM 280 N GLU 33 -6.982 0.971 -5.810 1.00 0.00 ATOM 281 CA GLU 33 -5.831 1.774 -6.177 1.00 0.00 ATOM 282 CB GLU 33 -5.176 1.289 -7.454 1.00 0.00 ATOM 283 CG GLU 33 -4.041 2.178 -7.950 1.00 0.00 ATOM 284 CD GLU 33 -3.235 1.546 -9.070 1.00 0.00 ATOM 285 OE1 GLU 33 -2.348 2.232 -9.629 1.00 0.00 ATOM 286 OE2 GLU 33 -3.476 0.363 -9.386 1.00 0.00 ATOM 287 O GLU 33 -5.597 4.184 -6.027 1.00 0.00 ATOM 288 C GLU 33 -6.271 3.233 -6.429 1.00 0.00 ATOM 289 N ILE 34 -7.418 3.415 -7.073 1.00 0.00 ATOM 290 CA ILE 34 -7.939 4.739 -7.335 1.00 0.00 ATOM 291 CB ILE 34 -9.155 4.674 -8.262 1.00 0.00 ATOM 292 CG1 ILE 34 -8.650 4.298 -9.653 1.00 0.00 ATOM 293 CG2 ILE 34 -9.965 5.945 -8.220 1.00 0.00 ATOM 294 CD1 ILE 34 -9.659 3.884 -10.636 1.00 0.00 ATOM 295 O ILE 34 -7.986 6.621 -5.855 1.00 0.00 ATOM 296 C ILE 34 -8.327 5.457 -6.049 1.00 0.00 ATOM 297 N LEU 35 -9.028 4.748 -5.180 1.00 0.00 ATOM 298 CA LEU 35 -9.460 5.294 -3.917 1.00 0.00 ATOM 299 CB LEU 35 -10.224 4.242 -3.111 1.00 0.00 ATOM 300 CG LEU 35 -10.760 4.687 -1.748 1.00 0.00 ATOM 301 CD1 LEU 35 -11.753 5.829 -1.909 1.00 0.00 ATOM 302 CD2 LEU 35 -11.466 3.539 -1.047 1.00 0.00 ATOM 303 O LEU 35 -8.323 6.825 -2.430 1.00 0.00 ATOM 304 C LEU 35 -8.283 5.750 -3.044 1.00 0.00 ATOM 305 N LYS 36 -7.204 4.956 -3.025 1.00 0.00 ATOM 306 CA LYS 36 -6.004 5.281 -2.261 1.00 0.00 ATOM 307 CB LYS 36 -5.052 4.082 -2.251 1.00 0.00 ATOM 308 CG LYS 36 -5.552 2.900 -1.436 1.00 0.00 ATOM 309 CD LYS 36 -4.558 1.751 -1.465 1.00 0.00 ATOM 310 CE LYS 36 -5.073 0.556 -0.678 1.00 0.00 ATOM 311 NZ LYS 36 -4.120 -0.587 -0.718 1.00 0.00 ATOM 312 O LYS 36 -4.849 7.374 -2.107 1.00 0.00 ATOM 313 C LYS 36 -5.316 6.506 -2.846 1.00 0.00 ATOM 314 N ARG 37 -5.249 6.595 -4.187 1.00 0.00 ATOM 315 CA ARG 37 -4.636 7.744 -4.840 1.00 0.00 ATOM 316 CB ARG 37 -4.511 7.500 -6.337 1.00 0.00 ATOM 317 CG ARG 37 -3.616 8.508 -7.032 1.00 0.00 ATOM 318 CD ARG 37 -3.279 8.081 -8.457 1.00 0.00 ATOM 319 NE ARG 37 -4.451 8.057 -9.326 1.00 0.00 ATOM 320 CZ ARG 37 -5.056 6.950 -9.744 1.00 0.00 ATOM 321 NH1 ARG 37 -4.606 5.759 -9.373 1.00 0.00 ATOM 322 NH2 ARG 37 -6.110 7.032 -10.545 1.00 0.00 ATOM 323 O ARG 37 -4.848 10.042 -4.179 1.00 0.00 ATOM 324 C ARG 37 -5.426 9.001 -4.482 1.00 0.00 ATOM 325 N PHE 38 -6.761 8.912 -4.530 1.00 0.00 ATOM 326 CA PHE 38 -7.566 10.095 -4.180 1.00 0.00 ATOM 327 CB PHE 38 -9.025 9.803 -4.536 1.00 0.00 ATOM 328 CG PHE 38 -9.932 10.992 -4.402 1.00 0.00 ATOM 329 CD1 PHE 38 -9.926 11.997 -5.354 1.00 0.00 ATOM 330 CD2 PHE 38 -10.793 11.106 -3.324 1.00 0.00 ATOM 331 CE1 PHE 38 -10.760 13.091 -5.229 1.00 0.00 ATOM 332 CE2 PHE 38 -11.628 12.200 -3.201 1.00 0.00 ATOM 333 CZ PHE 38 -11.614 13.190 -4.147 1.00 0.00 ATOM 334 O PHE 38 -7.527 11.683 -2.393 1.00 0.00 ATOM 335 C PHE 38 -7.525 10.500 -2.698 1.00 0.00 ATOM 336 N ASP 39 -7.829 9.375 -1.646 1.00 0.00 ATOM 337 CA ASP 39 -7.559 9.583 -0.222 1.00 0.00 ATOM 338 CB ASP 39 -7.459 8.240 0.506 1.00 0.00 ATOM 339 CG ASP 39 -8.807 7.563 0.668 1.00 0.00 ATOM 340 OD1 ASP 39 -9.837 8.229 0.436 1.00 0.00 ATOM 341 OD2 ASP 39 -8.832 6.368 1.028 1.00 0.00 ATOM 342 O ASP 39 -6.149 11.263 0.773 1.00 0.00 ATOM 343 C ASP 39 -6.234 10.340 -0.026 1.00 0.00 ATOM 344 N ILE 40 -5.221 9.963 -0.795 1.00 0.00 ATOM 345 CA ILE 40 -3.905 10.579 -0.705 1.00 0.00 ATOM 346 CB ILE 40 -2.848 9.707 -1.478 1.00 0.00 ATOM 347 CG1 ILE 40 -2.593 8.365 -0.737 1.00 0.00 ATOM 348 CG2 ILE 40 -1.509 10.464 -1.735 1.00 0.00 ATOM 349 CD1 ILE 40 -1.807 7.342 -1.647 1.00 0.00 ATOM 350 O ILE 40 -3.471 12.938 -0.523 1.00 0.00 ATOM 351 C ILE 40 -3.901 12.024 -1.229 1.00 0.00 ATOM 352 N ASP 41 -4.389 12.238 -2.450 1.00 0.00 ATOM 353 CA ASP 41 -4.272 13.536 -3.101 1.00 0.00 ATOM 354 CB ASP 41 -5.064 14.594 -2.331 1.00 0.00 ATOM 355 CG ASP 41 -5.302 15.850 -3.146 1.00 0.00 ATOM 356 OD1 ASP 41 -5.062 15.817 -4.372 1.00 0.00 ATOM 357 OD2 ASP 41 -5.730 16.866 -2.561 1.00 0.00 ATOM 358 O ASP 41 -2.431 15.018 -2.661 1.00 0.00 ATOM 359 C ASP 41 -2.800 13.953 -3.147 1.00 0.00 ATOM 360 N ILE 42 -1.967 13.098 -3.728 1.00 0.00 ATOM 361 CA ILE 42 -0.536 13.357 -3.859 1.00 0.00 ATOM 362 CB ILE 42 0.248 12.598 -2.789 1.00 0.00 ATOM 363 CG1 ILE 42 0.048 13.196 -1.385 1.00 0.00 ATOM 364 CG2 ILE 42 1.727 12.538 -3.131 1.00 0.00 ATOM 365 CD1 ILE 42 0.411 12.251 -0.254 1.00 0.00 ATOM 366 O ILE 42 -0.506 11.803 -5.687 1.00 0.00 ATOM 367 C ILE 42 -0.062 12.853 -5.221 1.00 0.00 ATOM 368 N SER 43 0.945 13.617 -5.830 1.00 0.00 ATOM 369 CA SER 43 1.541 13.191 -7.092 1.00 0.00 ATOM 370 CB SER 43 2.574 14.222 -7.551 1.00 0.00 ATOM 371 OG SER 43 3.663 14.291 -6.647 1.00 0.00 ATOM 372 O SER 43 2.679 11.601 -5.699 1.00 0.00 ATOM 373 C SER 43 2.234 11.849 -6.820 1.00 0.00 ATOM 374 N ASP 44 2.314 10.990 -7.832 1.00 0.00 ATOM 375 CA ASP 44 2.947 9.680 -7.674 1.00 0.00 ATOM 376 CB ASP 44 2.884 8.893 -8.983 1.00 0.00 ATOM 377 CG ASP 44 1.482 8.420 -9.314 1.00 0.00 ATOM 378 OD1 ASP 44 0.622 8.435 -8.408 1.00 0.00 ATOM 379 OD2 ASP 44 1.244 8.035 -10.478 1.00 0.00 ATOM 380 O ASP 44 4.956 8.962 -6.573 1.00 0.00 ATOM 381 C ASP 44 4.407 9.813 -7.277 1.00 0.00 ATOM 382 N GLY 45 4.815 11.169 -7.699 1.00 0.00 ATOM 383 CA GLY 45 6.192 11.587 -7.493 1.00 0.00 ATOM 384 O GLY 45 7.417 11.421 -5.428 1.00 0.00 ATOM 385 C GLY 45 6.404 11.831 -6.009 1.00 0.00 ATOM 386 N VAL 46 5.459 12.511 -5.382 1.00 0.00 ATOM 387 CA VAL 46 5.571 12.780 -3.958 1.00 0.00 ATOM 388 CB VAL 46 4.469 13.742 -3.474 1.00 0.00 ATOM 389 CG1 VAL 46 4.482 13.845 -1.957 1.00 0.00 ATOM 390 CG2 VAL 46 4.682 15.131 -4.053 1.00 0.00 ATOM 391 O VAL 46 6.195 11.232 -2.242 1.00 0.00 ATOM 392 C VAL 46 5.438 11.481 -3.174 1.00 0.00 ATOM 393 N LEU 47 4.479 10.651 -3.573 1.00 0.00 ATOM 394 CA LEU 47 4.221 9.377 -2.917 1.00 0.00 ATOM 395 CB LEU 47 3.068 8.644 -3.607 1.00 0.00 ATOM 396 CG LEU 47 2.673 7.292 -3.011 1.00 0.00 ATOM 397 CD1 LEU 47 2.207 7.453 -1.573 1.00 0.00 ATOM 398 CD2 LEU 47 1.540 6.662 -3.809 1.00 0.00 ATOM 399 O LEU 47 5.691 7.741 -2.001 1.00 0.00 ATOM 400 C LEU 47 5.435 8.470 -2.957 1.00 0.00 ATOM 401 N TYR 48 6.167 7.850 -4.250 1.00 0.00 ATOM 402 CA TYR 48 7.273 6.917 -4.425 1.00 0.00 ATOM 403 CB TYR 48 7.979 7.168 -5.759 1.00 0.00 ATOM 404 CG TYR 48 9.161 6.257 -6.007 1.00 0.00 ATOM 405 CD1 TYR 48 8.974 4.946 -6.426 1.00 0.00 ATOM 406 CD2 TYR 48 10.460 6.712 -5.820 1.00 0.00 ATOM 407 CE1 TYR 48 10.047 4.108 -6.655 1.00 0.00 ATOM 408 CE2 TYR 48 11.546 5.887 -6.043 1.00 0.00 ATOM 409 CZ TYR 48 11.330 4.575 -6.464 1.00 0.00 ATOM 410 OH TYR 48 12.401 3.743 -6.691 1.00 0.00 ATOM 411 O TYR 48 8.791 6.089 -2.769 1.00 0.00 ATOM 412 C TYR 48 8.297 7.077 -3.302 1.00 0.00 ATOM 413 N PRO 49 8.575 8.317 -2.912 1.00 0.00 ATOM 414 CA PRO 49 9.542 8.517 -1.830 1.00 0.00 ATOM 415 CB PRO 49 9.638 10.038 -1.696 1.00 0.00 ATOM 416 CG PRO 49 9.228 10.558 -3.033 1.00 0.00 ATOM 417 CD PRO 49 8.163 9.623 -3.535 1.00 0.00 ATOM 418 O PRO 49 9.948 7.647 0.300 1.00 0.00 ATOM 419 C PRO 49 9.103 7.896 -0.529 1.00 0.00 ATOM 420 N LEU 50 7.639 7.914 -0.485 1.00 0.00 ATOM 421 CA LEU 50 7.250 7.329 0.788 1.00 0.00 ATOM 422 CB LEU 50 5.736 7.411 0.976 1.00 0.00 ATOM 423 CG LEU 50 5.145 8.815 1.124 1.00 0.00 ATOM 424 CD1 LEU 50 3.627 8.758 1.182 1.00 0.00 ATOM 425 CD2 LEU 50 5.644 9.477 2.399 1.00 0.00 ATOM 426 O LEU 50 7.937 5.373 2.008 1.00 0.00 ATOM 427 C LEU 50 7.762 5.892 0.902 1.00 0.00 ATOM 428 N ILE 51 7.892 5.196 -0.253 1.00 0.00 ATOM 429 CA ILE 51 8.387 3.825 -0.247 1.00 0.00 ATOM 430 CB ILE 51 8.429 3.273 -1.705 1.00 0.00 ATOM 431 CG1 ILE 51 7.045 3.251 -2.276 1.00 0.00 ATOM 432 CG2 ILE 51 9.102 1.863 -1.765 1.00 0.00 ATOM 433 CD1 ILE 51 6.931 2.703 -3.726 1.00 0.00 ATOM 434 O ILE 51 10.085 2.881 1.181 1.00 0.00 ATOM 435 C ILE 51 9.767 3.785 0.397 1.00 0.00 ATOM 436 N ASP 52 10.668 4.724 -0.191 1.00 0.00 ATOM 437 CA ASP 52 12.040 4.817 0.295 1.00 0.00 ATOM 438 CB ASP 52 12.743 6.032 -0.316 1.00 0.00 ATOM 439 CG ASP 52 13.078 5.835 -1.781 1.00 0.00 ATOM 440 OD1 ASP 52 12.984 4.687 -2.264 1.00 0.00 ATOM 441 OD2 ASP 52 13.433 6.830 -2.449 1.00 0.00 ATOM 442 O ASP 52 12.782 4.346 2.535 1.00 0.00 ATOM 443 C ASP 52 11.993 4.960 1.813 1.00 0.00 ATOM 444 N SER 53 11.046 5.766 2.287 1.00 0.00 ATOM 445 CA SER 53 10.870 6.003 3.713 1.00 0.00 ATOM 446 CB SER 53 9.767 7.035 3.952 1.00 0.00 ATOM 447 OG SER 53 10.146 8.311 3.466 1.00 0.00 ATOM 448 O SER 53 10.979 4.430 5.527 1.00 0.00 ATOM 449 C SER 53 10.451 4.732 4.456 1.00 0.00 ATOM 450 N LEU 54 9.521 3.980 3.873 1.00 0.00 ATOM 451 CA LEU 54 9.057 2.745 4.490 1.00 0.00 ATOM 452 CB LEU 54 7.912 2.148 3.671 1.00 0.00 ATOM 453 CG LEU 54 6.585 2.909 3.702 1.00 0.00 ATOM 454 CD1 LEU 54 5.599 2.312 2.710 1.00 0.00 ATOM 455 CD2 LEU 54 5.963 2.846 5.088 1.00 0.00 ATOM 456 O LEU 54 10.396 1.047 5.542 1.00 0.00 ATOM 457 C LEU 54 10.220 1.754 4.546 1.00 0.00 ATOM 458 N ILE 55 11.015 1.721 3.493 1.00 0.00 ATOM 459 CA ILE 55 12.158 0.818 3.462 1.00 0.00 ATOM 460 CB ILE 55 12.845 0.856 2.084 1.00 0.00 ATOM 461 CG1 ILE 55 11.898 0.334 1.001 1.00 0.00 ATOM 462 CG2 ILE 55 14.096 -0.009 2.089 1.00 0.00 ATOM 463 CD1 ILE 55 12.388 0.577 -0.409 1.00 0.00 ATOM 464 O ILE 55 13.705 0.340 5.245 1.00 0.00 ATOM 465 C ILE 55 13.157 1.203 4.545 1.00 0.00 ATOM 466 N ASP 56 13.377 2.509 4.677 1.00 0.00 ATOM 467 CA ASP 56 14.303 3.024 5.668 1.00 0.00 ATOM 468 CB ASP 56 14.418 4.546 5.556 1.00 0.00 ATOM 469 CG ASP 56 15.192 4.981 4.327 1.00 0.00 ATOM 470 OD1 ASP 56 15.828 4.117 3.688 1.00 0.00 ATOM 471 OD2 ASP 56 15.161 6.185 4.001 1.00 0.00 ATOM 472 O ASP 56 14.674 2.835 8.022 1.00 0.00 ATOM 473 C ASP 56 13.879 2.712 7.090 1.00 0.00 ATOM 474 N ASP 57 12.536 2.334 7.277 1.00 0.00 ATOM 475 CA ASP 57 12.010 2.011 8.598 1.00 0.00 ATOM 476 CB ASP 57 10.660 2.698 8.821 1.00 0.00 ATOM 477 CG ASP 57 10.765 4.210 8.788 1.00 0.00 ATOM 478 OD1 ASP 57 11.635 4.761 9.492 1.00 0.00 ATOM 479 OD2 ASP 57 9.975 4.843 8.056 1.00 0.00 ATOM 480 O ASP 57 11.211 0.045 9.678 1.00 0.00 ATOM 481 C ASP 57 11.819 0.517 8.724 1.00 0.00 ATOM 482 N LYS 58 12.362 -0.219 7.763 1.00 0.00 ATOM 483 CA LYS 58 12.278 -1.675 7.744 1.00 0.00 ATOM 484 CB LYS 58 12.990 -2.271 8.961 1.00 0.00 ATOM 485 CG LYS 58 14.467 -1.927 9.045 1.00 0.00 ATOM 486 CD LYS 58 15.124 -2.603 10.236 1.00 0.00 ATOM 487 CE LYS 58 16.586 -2.205 10.361 1.00 0.00 ATOM 488 NZ LYS 58 17.237 -2.840 11.540 1.00 0.00 ATOM 489 O LYS 58 10.585 -3.252 8.368 1.00 0.00 ATOM 490 C LYS 58 10.854 -2.208 7.767 1.00 0.00 ATOM 491 N ILE 59 9.952 -1.529 7.066 1.00 0.00 ATOM 492 CA ILE 59 8.556 -1.957 7.013 1.00 0.00 ATOM 493 CB ILE 59 7.733 -0.463 6.982 1.00 0.00 ATOM 494 CG1 ILE 59 7.041 0.161 8.202 1.00 0.00 ATOM 495 CG2 ILE 59 6.784 -0.614 5.798 1.00 0.00 ATOM 496 CD1 ILE 59 6.815 -0.814 9.343 1.00 0.00 ATOM 497 O ILE 59 7.444 -3.465 5.508 1.00 0.00 ATOM 498 C ILE 59 8.268 -2.552 5.647 1.00 0.00 ATOM 499 N LEU 60 9.062 -2.131 4.669 1.00 0.00 ATOM 500 CA LEU 60 8.899 -2.595 3.305 1.00 0.00 ATOM 501 CB LEU 60 8.314 -1.487 2.427 1.00 0.00 ATOM 502 CG LEU 60 8.142 -1.816 0.944 1.00 0.00 ATOM 503 CD1 LEU 60 7.066 -2.874 0.750 1.00 0.00 ATOM 504 CD2 LEU 60 7.737 -0.577 0.161 1.00 0.00 ATOM 505 O LEU 60 11.278 -2.439 3.015 1.00 0.00 ATOM 506 C LEU 60 10.237 -3.018 2.708 1.00 0.00 ATOM 507 N ARG 61 10.331 -3.988 1.707 1.00 0.00 ATOM 508 CA ARG 61 11.597 -4.316 1.076 1.00 0.00 ATOM 509 CB ARG 61 12.123 -5.657 1.592 1.00 0.00 ATOM 510 CG ARG 61 11.236 -6.843 1.251 1.00 0.00 ATOM 511 CD ARG 61 11.816 -8.140 1.793 1.00 0.00 ATOM 512 NE ARG 61 11.044 -9.305 1.366 1.00 0.00 ATOM 513 CZ ARG 61 11.302 -10.551 1.747 1.00 0.00 ATOM 514 NH1 ARG 61 10.546 -11.549 1.307 1.00 0.00 ATOM 515 NH2 ARG 61 12.312 -10.799 2.567 1.00 0.00 ATOM 516 O ARG 61 10.281 -4.639 -0.906 1.00 0.00 ATOM 517 C ARG 61 11.394 -4.404 -0.430 1.00 0.00 ATOM 518 N GLU 62 12.446 -4.082 -1.170 1.00 0.00 ATOM 519 CA GLU 62 12.391 -4.122 -2.620 1.00 0.00 ATOM 520 CB GLU 62 12.697 -2.744 -3.207 1.00 0.00 ATOM 521 CG GLU 62 11.672 -1.678 -2.859 1.00 0.00 ATOM 522 CD GLU 62 11.981 -0.339 -3.499 1.00 0.00 ATOM 523 OE1 GLU 62 13.023 -0.232 -4.180 1.00 0.00 ATOM 524 OE2 GLU 62 11.183 0.605 -3.317 1.00 0.00 ATOM 525 O GLU 62 14.581 -5.126 -2.732 1.00 0.00 ATOM 526 C GLU 62 13.445 -5.085 -3.206 1.00 0.00 ATOM 527 N GLU 63 13.211 -5.900 -4.313 1.00 0.00 ATOM 528 CA GLU 63 14.157 -6.816 -4.954 1.00 0.00 ATOM 529 CB GLU 63 13.858 -8.226 -4.440 1.00 0.00 ATOM 530 CG GLU 63 14.826 -9.287 -4.940 1.00 0.00 ATOM 531 CD GLU 63 14.526 -10.661 -4.372 1.00 0.00 ATOM 532 OE1 GLU 63 13.587 -10.775 -3.557 1.00 0.00 ATOM 533 OE2 GLU 63 15.234 -11.622 -4.741 1.00 0.00 ATOM 534 O GLU 63 12.959 -6.368 -6.957 1.00 0.00 ATOM 535 C GLU 63 14.006 -6.794 -6.467 1.00 0.00 ATOM 536 N GLU 64 15.137 -6.796 -7.159 1.00 0.00 ATOM 537 CA GLU 64 15.128 -6.777 -8.608 1.00 0.00 ATOM 538 CB GLU 64 16.511 -7.129 -9.157 1.00 0.00 ATOM 539 CG GLU 64 16.625 -7.017 -10.669 1.00 0.00 ATOM 540 CD GLU 64 18.028 -7.301 -11.171 1.00 0.00 ATOM 541 OE1 GLU 64 18.936 -7.470 -10.329 1.00 0.00 ATOM 542 OE2 GLU 64 18.219 -7.353 -12.404 1.00 0.00 ATOM 543 O GLU 64 14.375 -8.959 -9.220 1.00 0.00 ATOM 544 C GLU 64 14.215 -7.730 -9.379 1.00 0.00 ATOM 545 N ALA 65 13.211 -7.302 -10.288 1.00 0.00 ATOM 546 CA ALA 65 12.447 -8.055 -11.265 1.00 0.00 ATOM 547 CB ALA 65 11.031 -7.710 -11.253 1.00 0.00 ATOM 548 O ALA 65 13.651 -6.218 -12.198 1.00 0.00 ATOM 549 C ALA 65 13.399 -7.420 -12.272 1.00 0.00 ATOM 550 N PRO 66 13.679 -8.111 -13.385 1.00 0.00 ATOM 551 CA PRO 66 14.590 -7.522 -14.367 1.00 0.00 ATOM 552 CB PRO 66 15.030 -8.712 -15.223 1.00 0.00 ATOM 553 CG PRO 66 13.902 -9.684 -15.118 1.00 0.00 ATOM 554 CD PRO 66 13.376 -9.563 -13.716 1.00 0.00 ATOM 555 O PRO 66 14.377 -5.346 -15.324 1.00 0.00 ATOM 556 C PRO 66 13.882 -6.469 -15.198 1.00 0.00 ATOM 557 N ASP 67 12.635 -6.722 -15.581 1.00 0.00 ATOM 558 CA ASP 67 11.845 -5.778 -16.359 1.00 0.00 ATOM 559 CB ASP 67 10.600 -6.463 -16.929 1.00 0.00 ATOM 560 CG ASP 67 9.897 -5.619 -17.973 1.00 0.00 ATOM 561 OD1 ASP 67 10.478 -4.600 -18.404 1.00 0.00 ATOM 562 OD2 ASP 67 8.765 -5.976 -18.362 1.00 0.00 ATOM 563 O ASP 67 11.214 -3.492 -15.896 1.00 0.00 ATOM 564 C ASP 67 11.479 -4.617 -15.446 1.00 0.00 ATOM 565 N GLY 68 11.506 -4.876 -13.999 1.00 0.00 ATOM 566 CA GLY 68 11.176 -3.821 -13.053 1.00 0.00 ATOM 567 O GLY 68 12.638 -5.017 -11.581 1.00 0.00 ATOM 568 C GLY 68 11.641 -4.302 -11.688 1.00 0.00 ATOM 569 N LYS 69 11.012 -3.780 -10.643 1.00 0.00 ATOM 570 CA LYS 69 11.341 -4.173 -9.281 1.00 0.00 ATOM 571 CB LYS 69 11.855 -2.972 -8.512 1.00 0.00 ATOM 572 CG LYS 69 13.205 -2.477 -9.029 1.00 0.00 ATOM 573 CD LYS 69 13.667 -1.227 -8.280 1.00 0.00 ATOM 574 CE LYS 69 15.112 -0.868 -8.744 1.00 0.00 ATOM 575 NZ LYS 69 15.556 0.375 -8.042 1.00 0.00 ATOM 576 O LYS 69 8.947 -4.207 -9.041 1.00 0.00 ATOM 577 C LYS 69 10.033 -4.642 -8.635 1.00 0.00 ATOM 578 N VAL 70 10.139 -5.611 -7.732 1.00 0.00 ATOM 579 CA VAL 70 8.930 -6.095 -7.072 1.00 0.00 ATOM 580 CB VAL 70 8.901 -7.599 -7.140 1.00 0.00 ATOM 581 CG1 VAL 70 7.883 -8.156 -6.168 1.00 0.00 ATOM 582 CG2 VAL 70 8.600 -8.053 -8.604 1.00 0.00 ATOM 583 O VAL 70 10.118 -5.708 -5.027 1.00 0.00 ATOM 584 C VAL 70 9.033 -5.706 -5.605 1.00 0.00 ATOM 585 N LEU 71 7.891 -5.379 -5.015 1.00 0.00 ATOM 586 CA LEU 71 7.830 -4.981 -3.611 1.00 0.00 ATOM 587 CB LEU 71 6.894 -3.782 -3.434 1.00 0.00 ATOM 588 CG LEU 71 7.281 -2.504 -4.181 1.00 0.00 ATOM 589 CD1 LEU 71 6.229 -1.425 -3.978 1.00 0.00 ATOM 590 CD2 LEU 71 8.613 -1.971 -3.679 1.00 0.00 ATOM 591 O LEU 71 6.258 -6.681 -3.020 1.00 0.00 ATOM 592 C LEU 71 7.313 -6.119 -2.750 1.00 0.00 ATOM 593 N PHE 72 8.228 -6.458 -1.755 1.00 0.00 ATOM 594 CA PHE 72 7.756 -7.404 -0.761 1.00 0.00 ATOM 595 CB PHE 72 8.689 -8.614 -0.689 1.00 0.00 ATOM 596 CG PHE 72 8.748 -9.412 -1.961 1.00 0.00 ATOM 597 CD1 PHE 72 9.728 -9.162 -2.906 1.00 0.00 ATOM 598 CD2 PHE 72 7.824 -10.411 -2.210 1.00 0.00 ATOM 599 CE1 PHE 72 9.782 -9.896 -4.075 1.00 0.00 ATOM 600 CE2 PHE 72 7.878 -11.145 -3.380 1.00 0.00 ATOM 601 CZ PHE 72 8.852 -10.891 -4.311 1.00 0.00 ATOM 602 O PHE 72 8.334 -5.648 0.778 1.00 0.00 ATOM 603 C PHE 72 7.724 -6.707 0.593 1.00 0.00 ATOM 604 N LEU 73 6.879 -7.212 1.482 1.00 0.00 ATOM 605 CA LEU 73 6.773 -6.671 2.828 1.00 0.00 ATOM 606 CB LEU 73 5.345 -6.840 3.345 1.00 0.00 ATOM 607 CG LEU 73 4.210 -6.439 2.399 1.00 0.00 ATOM 608 CD1 LEU 73 2.877 -6.677 3.089 1.00 0.00 ATOM 609 CD2 LEU 73 4.342 -4.993 1.971 1.00 0.00 ATOM 610 O LEU 73 7.899 -8.637 3.624 1.00 0.00 ATOM 611 C LEU 73 7.734 -7.423 3.749 1.00 0.00 ATOM 612 N THR 74 8.483 -6.689 4.563 1.00 0.00 ATOM 613 CA THR 74 9.372 -7.321 5.516 1.00 0.00 ATOM 614 CB THR 74 10.368 -6.312 6.117 1.00 0.00 ATOM 615 CG2 THR 74 11.176 -5.642 5.016 1.00 0.00 ATOM 616 OG1 THR 74 9.652 -5.305 6.844 1.00 0.00 ATOM 617 O THR 74 7.193 -7.707 6.427 1.00 0.00 ATOM 618 C THR 74 8.413 -7.863 6.566 1.00 0.00 ATOM 619 N GLU 75 8.913 -8.591 7.546 1.00 0.00 ATOM 620 CA GLU 75 8.048 -9.144 8.592 1.00 0.00 ATOM 621 CB GLU 75 8.880 -9.888 9.638 1.00 0.00 ATOM 622 CG GLU 75 9.476 -11.195 9.141 1.00 0.00 ATOM 623 CD GLU 75 10.391 -11.843 10.159 1.00 0.00 ATOM 624 OE1 GLU 75 10.620 -11.234 11.226 1.00 0.00 ATOM 625 OE2 GLU 75 10.883 -12.960 9.894 1.00 0.00 ATOM 626 O GLU 75 6.066 -8.094 9.459 1.00 0.00 ATOM 627 C GLU 75 7.274 -8.004 9.237 1.00 0.00 ATOM 628 N LYS 76 7.955 -6.924 9.502 1.00 0.00 ATOM 629 CA LYS 76 7.343 -5.769 10.129 1.00 0.00 ATOM 630 CB LYS 76 8.394 -4.721 10.501 1.00 0.00 ATOM 631 CG LYS 76 9.336 -5.152 11.611 1.00 0.00 ATOM 632 CD LYS 76 10.348 -4.063 11.931 1.00 0.00 ATOM 633 CE LYS 76 11.312 -4.508 13.021 1.00 0.00 ATOM 634 NZ LYS 76 12.324 -3.460 13.326 1.00 0.00 ATOM 635 O LYS 76 5.243 -4.743 9.644 1.00 0.00 ATOM 636 C LYS 76 6.311 -5.134 9.201 1.00 0.00 ATOM 637 N GLY 77 6.903 -5.083 7.912 1.00 0.00 ATOM 638 CA GLY 77 5.980 -4.444 6.987 1.00 0.00 ATOM 639 O GLY 77 3.629 -4.585 6.575 1.00 0.00 ATOM 640 C GLY 77 4.670 -5.200 6.817 1.00 0.00 ATOM 641 N MET 78 4.729 -6.522 6.920 1.00 0.00 ATOM 642 CA MET 78 3.540 -7.372 6.780 1.00 0.00 ATOM 643 CB MET 78 3.907 -8.846 6.972 1.00 0.00 ATOM 644 CG MET 78 4.731 -9.434 5.838 1.00 0.00 ATOM 645 SD MET 78 5.226 -11.139 6.150 1.00 0.00 ATOM 646 CE MET 78 3.646 -11.975 6.044 1.00 0.00 ATOM 647 O MET 78 1.323 -6.877 7.610 1.00 0.00 ATOM 648 C MET 78 2.534 -7.025 7.860 1.00 0.00 ATOM 649 N LYS 79 2.972 -6.869 9.104 1.00 0.00 ATOM 650 CA LYS 79 2.060 -6.544 10.224 1.00 0.00 ATOM 651 CB LYS 79 2.814 -6.405 11.548 1.00 0.00 ATOM 652 CG LYS 79 1.933 -6.023 12.727 1.00 0.00 ATOM 653 CD LYS 79 2.732 -5.972 14.019 1.00 0.00 ATOM 654 CE LYS 79 1.864 -5.542 15.189 1.00 0.00 ATOM 655 NZ LYS 79 2.637 -5.464 16.458 1.00 0.00 ATOM 656 O LYS 79 0.184 -5.046 10.057 1.00 0.00 ATOM 657 C LYS 79 1.410 -5.200 9.955 1.00 0.00 ATOM 658 N GLU 80 2.210 -4.216 9.523 1.00 0.00 ATOM 659 CA GLU 80 1.671 -2.912 9.210 1.00 0.00 ATOM 660 CB GLU 80 2.790 -1.907 8.929 1.00 0.00 ATOM 661 CG GLU 80 3.616 -1.539 10.150 1.00 0.00 ATOM 662 CD GLU 80 2.774 -0.947 11.264 1.00 0.00 ATOM 663 OE1 GLU 80 2.020 0.011 10.994 1.00 0.00 ATOM 664 OE2 GLU 80 2.868 -1.443 12.407 1.00 0.00 ATOM 665 O GLU 80 -0.245 -2.280 7.922 1.00 0.00 ATOM 666 C GLU 80 0.775 -2.960 7.976 1.00 0.00 ATOM 667 N PHE 81 1.091 -3.844 7.017 1.00 0.00 ATOM 668 CA PHE 81 0.281 -4.018 5.814 1.00 0.00 ATOM 669 CB PHE 81 0.956 -4.992 4.845 1.00 0.00 ATOM 670 CG PHE 81 0.182 -5.218 3.577 1.00 0.00 ATOM 671 CD1 PHE 81 0.196 -4.277 2.562 1.00 0.00 ATOM 672 CD2 PHE 81 -0.559 -6.374 3.399 1.00 0.00 ATOM 673 CE1 PHE 81 -0.516 -4.485 1.397 1.00 0.00 ATOM 674 CE2 PHE 81 -1.272 -6.582 2.233 1.00 0.00 ATOM 675 CZ PHE 81 -1.252 -5.643 1.233 1.00 0.00 ATOM 676 O PHE 81 -2.120 -4.154 5.651 1.00 0.00 ATOM 677 C PHE 81 -1.094 -4.580 6.187 1.00 0.00 ATOM 678 N GLU 82 -1.109 -5.559 7.081 1.00 0.00 ATOM 679 CA GLU 82 -2.368 -6.166 7.502 1.00 0.00 ATOM 680 CB GLU 82 -2.107 -7.337 8.453 1.00 0.00 ATOM 681 CG GLU 82 -1.495 -8.555 7.784 1.00 0.00 ATOM 682 CD GLU 82 -1.138 -9.646 8.774 1.00 0.00 ATOM 683 OE1 GLU 82 -1.299 -9.419 9.992 1.00 0.00 ATOM 684 OE2 GLU 82 -0.696 -10.727 8.334 1.00 0.00 ATOM 685 O GLU 82 -4.418 -5.043 7.888 1.00 0.00 ATOM 686 C GLU 82 -3.222 -5.170 8.209 1.00 0.00 ATOM 687 N GLU 83 -2.626 -4.275 9.038 1.00 0.00 ATOM 688 CA GLU 83 -3.433 -3.287 9.734 1.00 0.00 ATOM 689 CB GLU 83 -2.674 -2.574 10.844 1.00 0.00 ATOM 690 CG GLU 83 -2.429 -3.520 12.004 1.00 0.00 ATOM 691 CD GLU 83 -1.659 -2.939 13.171 1.00 0.00 ATOM 692 OE1 GLU 83 -1.047 -1.860 13.052 1.00 0.00 ATOM 693 OE2 GLU 83 -1.641 -3.627 14.197 1.00 0.00 ATOM 694 O GLU 83 -5.112 -1.790 8.877 1.00 0.00 ATOM 695 C GLU 83 -3.952 -2.200 8.790 1.00 0.00 ATOM 696 N LEU 84 -3.093 -1.729 7.901 1.00 0.00 ATOM 697 CA LEU 84 -3.471 -0.707 6.933 1.00 0.00 ATOM 698 CB LEU 84 -2.303 -0.354 6.009 1.00 0.00 ATOM 699 CG LEU 84 -2.580 0.708 4.943 1.00 0.00 ATOM 700 CD1 LEU 84 -2.951 2.034 5.588 1.00 0.00 ATOM 701 CD2 LEU 84 -1.353 0.929 4.073 1.00 0.00 ATOM 702 O LEU 84 -5.561 -0.450 5.767 1.00 0.00 ATOM 703 C LEU 84 -4.612 -1.190 6.047 1.00 0.00 ATOM 704 N HIS 85 -4.523 -2.438 5.599 1.00 0.00 ATOM 705 CA HIS 85 -5.561 -3.027 4.758 1.00 0.00 ATOM 706 CB HIS 85 -5.210 -4.463 4.364 1.00 0.00 ATOM 707 CG HIS 85 -6.258 -5.137 3.535 1.00 0.00 ATOM 708 CD2 HIS 85 -7.240 -6.189 3.755 1.00 0.00 ATOM 709 ND1 HIS 85 -6.492 -4.805 2.218 1.00 0.00 ATOM 710 CE1 HIS 85 -7.487 -5.575 1.743 1.00 0.00 ATOM 711 NE2 HIS 85 -7.939 -6.408 2.660 1.00 0.00 ATOM 712 O HIS 85 -7.943 -2.930 4.910 1.00 0.00 ATOM 713 C HIS 85 -6.878 -3.062 5.516 1.00 0.00 ATOM 714 N GLU 86 -6.824 -3.407 6.801 1.00 0.00 ATOM 715 CA GLU 86 -8.040 -3.466 7.601 1.00 0.00 ATOM 716 CB GLU 86 -7.713 -3.871 9.041 1.00 0.00 ATOM 717 CG GLU 86 -7.285 -5.321 9.195 1.00 0.00 ATOM 718 CD GLU 86 -6.852 -5.653 10.611 1.00 0.00 ATOM 719 OE1 GLU 86 -6.817 -4.731 11.453 1.00 0.00 ATOM 720 OE2 GLU 86 -6.548 -6.834 10.877 1.00 0.00 ATOM 721 O GLU 86 -9.940 -2.000 7.456 1.00 0.00 ATOM 722 C GLU 86 -8.716 -2.097 7.618 1.00 0.00 ATOM 723 N PHE 87 -7.944 -1.034 7.813 1.00 0.00 ATOM 724 CA PHE 87 -8.559 0.288 7.840 1.00 0.00 ATOM 725 CB PHE 87 -7.557 1.336 8.330 1.00 0.00 ATOM 726 CG PHE 87 -7.309 1.291 9.811 1.00 0.00 ATOM 727 CD1 PHE 87 -6.157 0.714 10.317 1.00 0.00 ATOM 728 CD2 PHE 87 -8.228 1.824 10.698 1.00 0.00 ATOM 729 CE1 PHE 87 -5.929 0.673 11.679 1.00 0.00 ATOM 730 CE2 PHE 87 -7.999 1.782 12.060 1.00 0.00 ATOM 731 CZ PHE 87 -6.856 1.210 12.551 1.00 0.00 ATOM 732 O PHE 87 -10.176 1.260 6.342 1.00 0.00 ATOM 733 C PHE 87 -9.123 0.630 6.462 1.00 0.00 ATOM 734 N PHE 88 -8.436 0.164 5.438 1.00 0.00 ATOM 735 CA PHE 88 -8.882 0.395 4.070 1.00 0.00 ATOM 736 CB PHE 88 -7.941 -0.216 3.028 1.00 0.00 ATOM 737 CG PHE 88 -8.416 -0.050 1.613 1.00 0.00 ATOM 738 CD1 PHE 88 -8.242 1.149 0.944 1.00 0.00 ATOM 739 CD2 PHE 88 -9.035 -1.096 0.950 1.00 0.00 ATOM 740 CE1 PHE 88 -8.678 1.300 -0.357 1.00 0.00 ATOM 741 CE2 PHE 88 -9.471 -0.945 -0.354 1.00 0.00 ATOM 742 CZ PHE 88 -9.295 0.246 -1.007 1.00 0.00 ATOM 743 O PHE 88 -11.170 0.357 3.352 1.00 0.00 ATOM 744 C PHE 88 -10.232 -0.269 3.841 1.00 0.00 ATOM 745 N LYS 89 -10.329 -1.535 4.161 1.00 0.00 ATOM 746 CA LYS 89 -11.580 -2.258 3.988 1.00 0.00 ATOM 747 CB LYS 89 -11.412 -3.726 4.386 1.00 0.00 ATOM 748 CG LYS 89 -12.646 -4.579 4.140 1.00 0.00 ATOM 749 CD LYS 89 -12.378 -6.041 4.461 1.00 0.00 ATOM 750 CE LYS 89 -13.610 -6.896 4.212 1.00 0.00 ATOM 751 NZ LYS 89 -13.358 -8.334 4.508 1.00 0.00 ATOM 752 O LYS 89 -13.747 -1.439 4.351 1.00 0.00 ATOM 753 C LYS 89 -12.666 -1.595 4.877 1.00 0.00 ATOM 754 N LYS 90 -12.227 -1.053 5.981 1.00 0.00 ATOM 755 CA LYS 90 -13.218 -0.411 6.880 1.00 0.00 ATOM 756 CB LYS 90 -12.574 -0.057 8.222 1.00 0.00 ATOM 757 CG LYS 90 -13.531 0.562 9.226 1.00 0.00 ATOM 758 CD LYS 90 -12.847 0.809 10.562 1.00 0.00 ATOM 759 CE LYS 90 -13.796 1.460 11.556 1.00 0.00 ATOM 760 NZ LYS 90 -13.123 1.756 12.852 1.00 0.00 ATOM 761 O LYS 90 -14.930 1.118 6.189 1.00 0.00 ATOM 762 C LYS 90 -13.734 0.870 6.212 1.00 0.00 ATOM 763 N ILE 91 -12.849 1.640 5.695 1.00 0.00 ATOM 764 CA ILE 91 -13.244 2.885 5.026 1.00 0.00 ATOM 765 CB ILE 91 -12.018 3.688 4.556 1.00 0.00 ATOM 766 CG1 ILE 91 -11.234 4.217 5.761 1.00 0.00 ATOM 767 CG2 ILE 91 -12.448 4.872 3.705 1.00 0.00 ATOM 768 CD1 ILE 91 -9.879 4.786 5.404 1.00 0.00 ATOM 769 O ILE 91 -15.015 3.377 3.460 1.00 0.00 ATOM 770 C ILE 91 -14.107 2.604 3.796 1.00 0.00 ATOM 771 N VAL 92 -13.770 1.531 3.090 1.00 0.00 ATOM 772 CA VAL 92 -14.516 1.129 1.903 1.00 0.00 ATOM 773 CB VAL 92 -13.829 -0.121 1.213 1.00 0.00 ATOM 774 CG1 VAL 92 -14.743 -0.690 0.145 1.00 0.00 ATOM 775 CG2 VAL 92 -12.493 0.261 0.601 1.00 0.00 ATOM 776 O VAL 92 -16.894 1.222 1.607 1.00 0.00 ATOM 777 C VAL 92 -15.955 0.798 2.278 1.00 0.00 ATOM 778 N CYS 93 -16.128 0.040 3.346 1.00 0.00 ATOM 779 CA CYS 93 -17.455 -0.326 3.820 1.00 0.00 ATOM 780 CB CYS 93 -17.359 -1.389 4.917 1.00 0.00 ATOM 781 SG CYS 93 -16.683 -2.972 4.363 1.00 0.00 ATOM 782 O CYS 93 -19.423 0.791 4.531 1.00 0.00 ATOM 783 C CYS 93 -18.213 0.861 4.401 1.00 0.00 TER END