PFRMAT TS TARGET T0224 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 try3-opt2, the best-scoring model with an unconstrained METHOD undertaker cost function. REMARK 6 REMARK 6 T0224 model 1 Mon Aug 16 08:34:55 2004 MODEL 1 PARENT 1k7j_A 1kk9_A 2frv_A 1v6s_A 1gc0_A REMARK 7 REMARK 7 ALLPARENTS 1k7j_A 1kk9_A 2frv_A 1v6s_A 1gc0_A 1ffk_L 1lst REMARK 7 ALLPARENTS 1jx7_A 1l1s_A 1yve_J 1m6y_A 1zpd_A 1oro_A 1lh0_A REMARK 7 ALLPARENTS 1opr 1q1r_A 1kmv_A 1bfd 1l1q_A 1qmg_A 1jtv_A REMARK 7 ALLPARENTS 1t9k_A 1cn4_A 1ern_A 1ndk 1f3f_A 1npk 1m32_A REMARK 7 ALLPARENTS 1d7y_A ATOM 1 N MET 1 13.929 -4.149 4.294 1.00 0.00 ATOM 2 CA MET 1 14.344 -3.237 3.230 1.00 0.00 ATOM 3 CB MET 1 15.317 -3.934 2.276 1.00 0.00 ATOM 4 CG MET 1 16.688 -4.202 2.875 1.00 0.00 ATOM 5 SD MET 1 17.561 -2.689 3.318 1.00 0.00 ATOM 6 CE MET 1 17.890 -2.000 1.697 1.00 0.00 ATOM 7 O MET 1 13.033 -1.526 2.196 1.00 0.00 ATOM 8 C MET 1 13.172 -2.738 2.395 1.00 0.00 ATOM 9 N ALA 2 12.353 -3.645 1.852 1.00 0.00 ATOM 10 CA ALA 2 11.080 -3.264 1.273 1.00 0.00 ATOM 11 CB ALA 2 10.899 -3.906 -0.085 1.00 0.00 ATOM 12 O ALA 2 10.061 -4.820 2.803 1.00 0.00 ATOM 13 C ALA 2 9.989 -3.726 2.227 1.00 0.00 ATOM 14 N LEU 3 8.977 -2.862 2.366 1.00 0.00 ATOM 15 CA LEU 3 7.837 -3.198 3.204 1.00 0.00 ATOM 16 CB LEU 3 7.595 -2.152 4.282 1.00 0.00 ATOM 17 CG LEU 3 6.330 -2.229 5.112 1.00 0.00 ATOM 18 CD1 LEU 3 6.341 -3.462 6.014 1.00 0.00 ATOM 19 CD2 LEU 3 6.165 -0.980 5.945 1.00 0.00 ATOM 20 O LEU 3 6.385 -2.373 1.492 1.00 0.00 ATOM 21 C LEU 3 6.663 -3.316 2.253 1.00 0.00 ATOM 22 N VAL 4 5.932 -4.414 2.398 1.00 0.00 ATOM 23 CA VAL 4 4.766 -4.662 1.574 1.00 0.00 ATOM 24 CB VAL 4 4.995 -5.886 0.647 1.00 0.00 ATOM 25 CG1 VAL 4 3.854 -5.991 -0.360 1.00 0.00 ATOM 26 CG2 VAL 4 6.330 -5.743 -0.073 1.00 0.00 ATOM 27 O VAL 4 3.627 -5.663 3.426 1.00 0.00 ATOM 28 C VAL 4 3.574 -4.886 2.489 1.00 0.00 ATOM 29 N LEU 5 2.603 -4.128 2.262 1.00 0.00 ATOM 30 CA LEU 5 1.376 -4.224 3.036 1.00 0.00 ATOM 31 CB LEU 5 1.157 -2.918 3.846 1.00 0.00 ATOM 32 CG LEU 5 2.360 -2.234 4.503 1.00 0.00 ATOM 33 CD1 LEU 5 1.924 -0.905 5.091 1.00 0.00 ATOM 34 CD2 LEU 5 2.981 -3.112 5.576 1.00 0.00 ATOM 35 O LEU 5 0.107 -4.209 1.000 1.00 0.00 ATOM 36 C LEU 5 0.235 -4.673 2.136 1.00 0.00 ATOM 37 N VAL 6 -0.649 -5.626 2.634 1.00 0.00 ATOM 38 CA VAL 6 -1.762 -6.134 1.867 1.00 0.00 ATOM 39 CB VAL 6 -1.442 -7.648 1.475 1.00 0.00 ATOM 40 CG1 VAL 6 -2.568 -8.298 0.704 1.00 0.00 ATOM 41 CG2 VAL 6 -0.135 -7.756 0.707 1.00 0.00 ATOM 42 O VAL 6 -4.140 -5.807 1.981 1.00 0.00 ATOM 43 C VAL 6 -3.079 -5.860 2.596 1.00 0.00 ATOM 44 N LYS 7 -2.998 -5.628 3.899 1.00 0.00 ATOM 45 CA LYS 7 -4.181 -5.390 4.718 1.00 0.00 ATOM 46 CB LYS 7 -3.886 -5.358 6.219 1.00 0.00 ATOM 47 CG LYS 7 -5.098 -5.046 7.083 1.00 0.00 ATOM 48 CD LYS 7 -5.996 -6.262 7.234 1.00 0.00 ATOM 49 CE LYS 7 -7.246 -5.930 8.035 1.00 0.00 ATOM 50 NZ LYS 7 -8.162 -7.098 8.141 1.00 0.00 ATOM 51 O LYS 7 -4.387 -3.017 4.406 1.00 0.00 ATOM 52 C LYS 7 -4.963 -4.095 4.517 1.00 0.00 ATOM 53 N TYR 8 -6.352 -4.196 4.478 1.00 0.00 ATOM 54 CA TYR 8 -7.202 -3.024 4.311 1.00 0.00 ATOM 55 CB TYR 8 -8.650 -3.450 4.066 1.00 0.00 ATOM 56 CG TYR 8 -9.611 -2.292 3.914 1.00 0.00 ATOM 57 CD1 TYR 8 -9.651 -1.549 2.741 1.00 0.00 ATOM 58 CD2 TYR 8 -10.474 -1.945 4.946 1.00 0.00 ATOM 59 CE1 TYR 8 -10.525 -0.489 2.594 1.00 0.00 ATOM 60 CE2 TYR 8 -11.355 -0.888 4.816 1.00 0.00 ATOM 61 CZ TYR 8 -11.375 -0.158 3.628 1.00 0.00 ATOM 62 OH TYR 8 -12.248 0.896 3.484 1.00 0.00 ATOM 63 O TYR 8 -7.189 -2.763 6.693 1.00 0.00 ATOM 64 C TYR 8 -7.111 -2.208 5.593 1.00 0.00 ATOM 65 N GLY 9 -7.015 -0.880 5.467 1.00 0.00 ATOM 66 CA GLY 9 -6.922 -0.019 6.651 1.00 0.00 ATOM 67 O GLY 9 -9.211 0.081 7.361 1.00 0.00 ATOM 68 C GLY 9 -8.024 0.113 7.692 1.00 0.00 ATOM 69 N THR 10 -7.537 0.125 9.064 1.00 0.00 ATOM 70 CA THR 10 -8.402 0.239 10.235 1.00 0.00 ATOM 71 CB THR 10 -9.252 1.530 10.208 1.00 0.00 ATOM 72 CG2 THR 10 -8.362 2.777 10.224 1.00 0.00 ATOM 73 OG1 THR 10 -10.006 1.585 8.993 1.00 0.00 ATOM 74 O THR 10 -9.633 -1.249 11.620 1.00 0.00 ATOM 75 C THR 10 -9.244 -0.997 10.486 1.00 0.00 ATOM 76 N ASP 11 -9.525 -1.744 9.455 1.00 0.00 ATOM 77 CA ASP 11 -10.350 -2.939 9.592 1.00 0.00 ATOM 78 CB ASP 11 -10.701 -3.510 8.218 1.00 0.00 ATOM 79 CG ASP 11 -11.630 -4.707 8.302 1.00 0.00 ATOM 80 OD1 ASP 11 -11.895 -5.173 9.430 1.00 0.00 ATOM 81 OD2 ASP 11 -12.095 -5.174 7.241 1.00 0.00 ATOM 82 O ASP 11 -8.637 -4.572 9.907 1.00 0.00 ATOM 83 C ASP 11 -9.619 -4.014 10.383 1.00 0.00 ATOM 84 N HIS 12 -9.760 -4.275 11.711 1.00 0.00 ATOM 85 CA HIS 12 -9.019 -5.231 12.525 1.00 0.00 ATOM 86 CB HIS 12 -9.370 -6.662 12.074 1.00 0.00 ATOM 87 CG HIS 12 -10.827 -6.863 12.377 1.00 0.00 ATOM 88 CD2 HIS 12 -11.623 -6.212 13.270 1.00 0.00 ATOM 89 ND1 HIS 12 -11.589 -7.797 11.719 1.00 0.00 ATOM 90 CE1 HIS 12 -12.810 -7.671 12.202 1.00 0.00 ATOM 91 NE2 HIS 12 -12.881 -6.731 13.133 1.00 0.00 ATOM 92 O HIS 12 -7.064 -5.075 11.102 1.00 0.00 ATOM 93 C HIS 12 -7.539 -4.918 12.202 1.00 0.00 ATOM 94 N PRO 13 -6.572 -4.408 13.191 1.00 0.00 ATOM 95 CA PRO 13 -5.221 -4.015 12.967 1.00 0.00 ATOM 96 CB PRO 13 -4.666 -3.898 14.456 1.00 0.00 ATOM 97 CG PRO 13 -5.859 -3.591 15.247 1.00 0.00 ATOM 98 CD PRO 13 -6.981 -4.374 14.612 1.00 0.00 ATOM 99 O PRO 13 -2.891 -3.522 12.561 1.00 0.00 ATOM 100 C PRO 13 -3.841 -4.276 12.349 1.00 0.00 ATOM 101 N VAL 14 -3.761 -5.353 11.627 1.00 0.00 ATOM 102 CA VAL 14 -2.516 -5.790 11.026 1.00 0.00 ATOM 103 CB VAL 14 -2.806 -7.048 10.107 1.00 0.00 ATOM 104 CG1 VAL 14 -1.652 -7.375 9.211 1.00 0.00 ATOM 105 CG2 VAL 14 -3.163 -8.208 11.016 1.00 0.00 ATOM 106 O VAL 14 -0.652 -4.517 10.253 1.00 0.00 ATOM 107 C VAL 14 -1.854 -4.736 10.149 1.00 0.00 ATOM 108 N GLU 15 -2.688 -4.054 9.304 1.00 0.00 ATOM 109 CA GLU 15 -2.131 -3.031 8.431 1.00 0.00 ATOM 110 CB GLU 15 -3.214 -2.472 7.504 1.00 0.00 ATOM 111 CG GLU 15 -2.704 -1.451 6.502 1.00 0.00 ATOM 112 CD GLU 15 -1.750 -2.053 5.489 1.00 0.00 ATOM 113 OE1 GLU 15 -1.636 -3.295 5.446 1.00 0.00 ATOM 114 OE2 GLU 15 -1.116 -1.281 4.738 1.00 0.00 ATOM 115 O GLU 15 -0.534 -1.334 8.997 1.00 0.00 ATOM 116 C GLU 15 -1.649 -1.839 9.245 1.00 0.00 ATOM 117 N LYS 16 -2.403 -1.428 10.231 1.00 0.00 ATOM 118 CA LYS 16 -1.981 -0.333 11.099 1.00 0.00 ATOM 119 CB LYS 16 -3.063 -0.074 12.148 1.00 0.00 ATOM 120 CG LYS 16 -2.747 1.070 13.097 1.00 0.00 ATOM 121 CD LYS 16 -3.924 1.374 14.010 1.00 0.00 ATOM 122 CE LYS 16 -3.614 2.530 14.947 1.00 0.00 ATOM 123 NZ LYS 16 -4.801 2.924 15.754 1.00 0.00 ATOM 124 O LYS 16 0.239 0.106 11.904 1.00 0.00 ATOM 125 C LYS 16 -0.685 -0.709 11.812 1.00 0.00 ATOM 126 N LEU 17 -0.560 -1.963 12.367 1.00 0.00 ATOM 127 CA LEU 17 0.636 -2.361 13.098 1.00 0.00 ATOM 128 CB LEU 17 0.429 -3.736 13.776 1.00 0.00 ATOM 129 CG LEU 17 -0.515 -3.737 14.969 1.00 0.00 ATOM 130 CD1 LEU 17 -0.927 -5.129 15.335 1.00 0.00 ATOM 131 CD2 LEU 17 0.095 -2.999 16.143 1.00 0.00 ATOM 132 O LEU 17 2.985 -2.050 12.692 1.00 0.00 ATOM 133 C LEU 17 1.899 -2.437 12.246 1.00 0.00 ATOM 134 N LYS 18 1.778 -2.956 11.017 1.00 0.00 ATOM 135 CA LYS 18 2.910 -3.087 10.109 1.00 0.00 ATOM 136 CB LYS 18 2.444 -3.737 8.805 1.00 0.00 ATOM 137 CG LYS 18 2.078 -5.196 8.955 1.00 0.00 ATOM 138 CD LYS 18 1.666 -5.802 7.603 1.00 0.00 ATOM 139 CE LYS 18 1.224 -7.245 7.755 1.00 0.00 ATOM 140 NZ LYS 18 0.847 -7.849 6.433 1.00 0.00 ATOM 141 O LYS 18 4.702 -1.508 9.818 1.00 0.00 ATOM 142 C LYS 18 3.489 -1.714 9.761 1.00 0.00 ATOM 143 N ILE 19 2.620 -0.787 9.423 1.00 0.00 ATOM 144 CA ILE 19 3.066 0.553 9.078 1.00 0.00 ATOM 145 CB ILE 19 1.936 1.431 8.660 1.00 0.00 ATOM 146 CG1 ILE 19 1.444 0.948 7.280 1.00 0.00 ATOM 147 CG2 ILE 19 2.352 2.927 8.604 1.00 0.00 ATOM 148 CD1 ILE 19 0.110 1.552 6.903 1.00 0.00 ATOM 149 O ILE 19 4.833 1.802 10.129 1.00 0.00 ATOM 150 C ILE 19 3.756 1.221 10.274 1.00 0.00 ATOM 151 N ARG 20 3.150 1.098 11.448 1.00 0.00 ATOM 152 CA ARG 20 3.709 1.687 12.665 1.00 0.00 ATOM 153 CB ARG 20 2.833 1.426 13.888 1.00 0.00 ATOM 154 CG ARG 20 1.421 2.005 13.758 1.00 0.00 ATOM 155 CD ARG 20 1.404 3.451 13.428 1.00 0.00 ATOM 156 NE ARG 20 0.030 4.022 13.424 1.00 0.00 ATOM 157 CZ ARG 20 -0.392 5.027 12.738 1.00 0.00 ATOM 158 NH1 ARG 20 0.348 5.674 11.872 1.00 0.00 ATOM 159 NH2 ARG 20 -1.653 5.449 12.861 1.00 0.00 ATOM 160 O ARG 20 6.016 1.878 13.309 1.00 0.00 ATOM 161 C ARG 20 5.091 1.126 13.001 1.00 0.00 ATOM 162 N SER 21 5.229 -0.200 12.928 1.00 0.00 ATOM 163 CA SER 21 6.490 -0.866 13.234 1.00 0.00 ATOM 164 CB SER 21 6.086 -2.423 13.508 1.00 0.00 ATOM 165 OG SER 21 5.692 -3.043 12.297 1.00 0.00 ATOM 166 O SER 21 8.821 -0.838 12.705 1.00 0.00 ATOM 167 C SER 21 7.671 -0.688 12.292 1.00 0.00 ATOM 168 N ALA 22 7.454 -0.329 11.056 1.00 0.00 ATOM 169 CA ALA 22 8.531 -0.101 10.099 1.00 0.00 ATOM 170 CB ALA 22 7.994 -0.473 8.725 1.00 0.00 ATOM 171 O ALA 22 8.112 2.268 10.451 1.00 0.00 ATOM 172 C ALA 22 8.932 1.375 10.220 1.00 0.00 ATOM 173 N LYS 23 10.297 1.609 10.094 1.00 0.00 ATOM 174 CA LYS 23 10.834 2.977 10.218 1.00 0.00 ATOM 175 CB LYS 23 12.338 2.950 9.935 1.00 0.00 ATOM 176 CG LYS 23 13.162 2.271 11.017 1.00 0.00 ATOM 177 CD LYS 23 14.644 2.302 10.684 1.00 0.00 ATOM 178 CE LYS 23 15.467 1.604 11.754 1.00 0.00 ATOM 179 NZ LYS 23 16.924 1.641 11.449 1.00 0.00 ATOM 180 O LYS 23 9.713 3.284 8.125 1.00 0.00 ATOM 181 C LYS 23 10.138 3.817 9.150 1.00 0.00 ATOM 182 N ALA 24 9.850 5.156 9.337 1.00 0.00 ATOM 183 CA ALA 24 9.089 5.957 8.378 1.00 0.00 ATOM 184 CB ALA 24 9.056 7.415 8.813 1.00 0.00 ATOM 185 O ALA 24 8.873 6.084 5.987 1.00 0.00 ATOM 186 C ALA 24 9.654 5.921 6.956 1.00 0.00 ATOM 187 N GLU 25 10.919 5.722 6.818 1.00 0.00 ATOM 188 CA GLU 25 11.545 5.631 5.500 1.00 0.00 ATOM 189 CB GLU 25 13.051 6.155 5.704 1.00 0.00 ATOM 190 CG GLU 25 13.217 7.651 5.980 1.00 0.00 ATOM 191 CD GLU 25 12.870 8.058 7.404 1.00 0.00 ATOM 192 OE1 GLU 25 12.928 9.273 7.697 1.00 0.00 ATOM 193 OE2 GLU 25 12.544 7.184 8.235 1.00 0.00 ATOM 194 O GLU 25 11.681 4.172 3.587 1.00 0.00 ATOM 195 C GLU 25 11.354 4.294 4.767 1.00 0.00 ATOM 196 N ASP 26 10.813 3.325 5.458 1.00 0.00 ATOM 197 CA ASP 26 10.575 2.021 4.859 1.00 0.00 ATOM 198 CB ASP 26 11.649 0.982 5.464 1.00 0.00 ATOM 199 CG ASP 26 11.229 0.409 6.797 1.00 0.00 ATOM 200 OD1 ASP 26 10.092 -0.071 6.898 1.00 0.00 ATOM 201 OD2 ASP 26 12.038 0.450 7.749 1.00 0.00 ATOM 202 O ASP 26 8.184 1.783 5.146 1.00 0.00 ATOM 203 C ASP 26 9.142 1.823 4.377 1.00 0.00 ATOM 204 N LYS 27 9.834 2.166 2.709 1.00 0.00 ATOM 205 CA LYS 27 8.907 2.252 1.588 1.00 0.00 ATOM 206 CB LYS 27 9.674 2.148 0.251 1.00 0.00 ATOM 207 CG LYS 27 10.654 3.282 -0.001 1.00 0.00 ATOM 208 CD LYS 27 11.421 3.082 -1.291 1.00 0.00 ATOM 209 CE LYS 27 12.405 4.220 -1.505 1.00 0.00 ATOM 210 NZ LYS 27 13.218 4.033 -2.737 1.00 0.00 ATOM 211 O LYS 27 8.082 0.059 1.977 1.00 0.00 ATOM 212 C LYS 27 7.808 1.215 1.697 1.00 0.00 ATOM 213 N ILE 28 6.530 1.686 1.547 1.00 0.00 ATOM 214 CA ILE 28 5.369 0.874 1.689 1.00 0.00 ATOM 215 CB ILE 28 4.339 1.533 2.625 1.00 0.00 ATOM 216 CG1 ILE 28 4.929 1.712 4.025 1.00 0.00 ATOM 217 CG2 ILE 28 3.091 0.670 2.734 1.00 0.00 ATOM 218 CD1 ILE 28 4.058 2.529 4.955 1.00 0.00 ATOM 219 O ILE 28 4.578 1.572 -0.451 1.00 0.00 ATOM 220 C ILE 28 4.790 0.611 0.322 1.00 0.00 ATOM 221 N VAL 29 4.629 -0.622 0.008 1.00 0.00 ATOM 222 CA VAL 29 4.003 -0.966 -1.262 1.00 0.00 ATOM 223 CB VAL 29 4.872 -1.816 -2.206 1.00 0.00 ATOM 224 CG1 VAL 29 4.113 -2.140 -3.484 1.00 0.00 ATOM 225 CG2 VAL 29 6.144 -1.069 -2.578 1.00 0.00 ATOM 226 O VAL 29 2.809 -2.690 -0.089 1.00 0.00 ATOM 227 C VAL 29 2.758 -1.769 -0.915 1.00 0.00 ATOM 228 N LEU 30 1.639 -1.415 -1.549 1.00 0.00 ATOM 229 CA LEU 30 0.382 -2.106 -1.315 1.00 0.00 ATOM 230 CB LEU 30 -0.663 -1.145 -0.743 1.00 0.00 ATOM 231 CG LEU 30 -0.303 -0.460 0.576 1.00 0.00 ATOM 232 CD1 LEU 30 -1.365 0.559 0.960 1.00 0.00 ATOM 233 CD2 LEU 30 -0.193 -1.480 1.699 1.00 0.00 ATOM 234 O LEU 30 0.140 -2.114 -3.702 1.00 0.00 ATOM 235 C LEU 30 -0.003 -2.738 -2.647 1.00 0.00 ATOM 236 N ILE 31 -0.416 -3.995 -2.251 1.00 0.00 ATOM 237 CA ILE 31 -0.848 -4.807 -3.381 1.00 0.00 ATOM 238 CB ILE 31 -0.057 -6.117 -3.554 1.00 0.00 ATOM 239 CG1 ILE 31 -0.202 -6.995 -2.309 1.00 0.00 ATOM 240 CG2 ILE 31 1.420 -5.823 -3.765 1.00 0.00 ATOM 241 CD1 ILE 31 0.318 -8.403 -2.492 1.00 0.00 ATOM 242 O ILE 31 -2.900 -4.888 -2.142 1.00 0.00 ATOM 243 C ILE 31 -2.312 -5.179 -3.173 1.00 0.00 ATOM 244 N GLN 32 -2.879 -5.833 -4.186 1.00 0.00 ATOM 245 CA GLN 32 -4.231 -6.300 -4.150 1.00 0.00 ATOM 246 CB GLN 32 -4.298 -7.705 -3.550 1.00 0.00 ATOM 247 CG GLN 32 -3.663 -8.781 -4.414 1.00 0.00 ATOM 248 CD GLN 32 -3.675 -10.144 -3.753 1.00 0.00 ATOM 249 OE1 GLN 32 -4.165 -10.297 -2.632 1.00 0.00 ATOM 250 NE2 GLN 32 -3.140 -11.143 -4.444 1.00 0.00 ATOM 251 O GLN 32 -6.273 -5.049 -4.174 1.00 0.00 ATOM 252 C GLN 32 -5.464 -5.685 -3.500 1.00 0.00 ATOM 253 N ASN 33 -5.797 -5.989 -2.155 1.00 0.00 ATOM 254 CA ASN 33 -6.973 -5.508 -1.456 1.00 0.00 ATOM 255 CB ASN 33 -7.601 -6.546 -0.556 1.00 0.00 ATOM 256 CG ASN 33 -8.039 -7.756 -1.293 1.00 0.00 ATOM 257 ND2 ASN 33 -8.043 -8.888 -0.551 1.00 0.00 ATOM 258 OD1 ASN 33 -8.395 -7.722 -2.482 1.00 0.00 ATOM 259 O ASN 33 -7.358 -3.358 -0.449 1.00 0.00 ATOM 260 C ASN 33 -6.550 -4.286 -0.634 1.00 0.00 ATOM 261 N GLY 34 -5.310 -4.254 -0.157 1.00 0.00 ATOM 262 CA GLY 34 -4.826 -3.132 0.654 1.00 0.00 ATOM 263 O GLY 34 -3.624 -1.153 0.062 1.00 0.00 ATOM 264 C GLY 34 -4.533 -1.933 -0.224 1.00 0.00 ATOM 265 N VAL 35 -5.349 -1.816 -1.363 1.00 0.00 ATOM 266 CA VAL 35 -5.172 -0.723 -2.309 1.00 0.00 ATOM 267 CB VAL 35 -5.701 -1.078 -3.691 1.00 0.00 ATOM 268 CG1 VAL 35 -5.649 0.118 -4.616 1.00 0.00 ATOM 269 CG2 VAL 35 -4.887 -2.209 -4.263 1.00 0.00 ATOM 270 O VAL 35 -5.256 1.620 -1.930 1.00 0.00 ATOM 271 C VAL 35 -5.809 0.553 -1.774 1.00 0.00 ATOM 272 N PHE 36 -6.975 0.434 -1.163 1.00 0.00 ATOM 273 CA PHE 36 -7.675 1.596 -0.584 1.00 0.00 ATOM 274 CB PHE 36 -8.975 1.272 0.101 1.00 0.00 ATOM 275 CG PHE 36 -10.070 0.821 -0.840 1.00 0.00 ATOM 276 CD1 PHE 36 -9.822 0.564 -2.197 1.00 0.00 ATOM 277 CD2 PHE 36 -11.370 0.629 -0.344 1.00 0.00 ATOM 278 CE1 PHE 36 -10.851 0.130 -3.065 1.00 0.00 ATOM 279 CE2 PHE 36 -12.406 0.208 -1.200 1.00 0.00 ATOM 280 CZ PHE 36 -12.142 -0.036 -2.565 1.00 0.00 ATOM 281 O PHE 36 -6.680 3.593 0.315 1.00 0.00 ATOM 282 C PHE 36 -6.769 2.374 0.384 1.00 0.00 ATOM 283 N TRP 37 -6.104 1.618 1.281 1.00 0.00 ATOM 284 CA TRP 37 -5.220 2.224 2.267 1.00 0.00 ATOM 285 CB TRP 37 -4.504 1.180 3.126 1.00 0.00 ATOM 286 CG TRP 37 -3.596 1.776 4.160 1.00 0.00 ATOM 287 CD1 TRP 37 -2.232 1.778 4.149 1.00 0.00 ATOM 288 CD2 TRP 37 -3.990 2.457 5.358 1.00 0.00 ATOM 289 CE2 TRP 37 -2.809 2.845 6.022 1.00 0.00 ATOM 290 CE3 TRP 37 -5.223 2.776 5.933 1.00 0.00 ATOM 291 NE1 TRP 37 -1.748 2.418 5.265 1.00 0.00 ATOM 292 CZ2 TRP 37 -2.827 3.535 7.234 1.00 0.00 ATOM 293 CZ3 TRP 37 -5.236 3.464 7.132 1.00 0.00 ATOM 294 CH2 TRP 37 -4.049 3.835 7.772 1.00 0.00 ATOM 295 O TRP 37 -3.946 4.216 1.885 1.00 0.00 ATOM 296 C TRP 37 -4.180 3.060 1.522 1.00 0.00 ATOM 297 N ALA 38 -3.588 2.530 0.468 1.00 0.00 ATOM 298 CA ALA 38 -2.576 3.260 -0.276 1.00 0.00 ATOM 299 CB ALA 38 -1.984 2.366 -1.412 1.00 0.00 ATOM 300 O ALA 38 -2.525 5.603 -0.834 1.00 0.00 ATOM 301 C ALA 38 -3.158 4.546 -0.849 1.00 0.00 ATOM 302 N LEU 39 -4.362 4.432 -1.311 1.00 0.00 ATOM 303 CA LEU 39 -5.046 5.570 -1.888 1.00 0.00 ATOM 304 CB LEU 39 -6.368 5.136 -2.523 1.00 0.00 ATOM 305 CG LEU 39 -7.188 6.237 -3.200 1.00 0.00 ATOM 306 CD1 LEU 39 -6.401 6.871 -4.337 1.00 0.00 ATOM 307 CD2 LEU 39 -8.479 5.670 -3.772 1.00 0.00 ATOM 308 O LEU 39 -5.118 7.829 -1.104 1.00 0.00 ATOM 309 C LEU 39 -5.327 6.647 -0.848 1.00 0.00 ATOM 310 N GLU 40 -5.816 6.260 0.340 1.00 0.00 ATOM 311 CA GLU 40 -6.105 7.222 1.397 1.00 0.00 ATOM 312 CB GLU 40 -6.665 6.581 2.669 1.00 0.00 ATOM 313 CG GLU 40 -8.092 6.066 2.496 1.00 0.00 ATOM 314 CD GLU 40 -8.742 5.764 3.832 1.00 0.00 ATOM 315 OE1 GLU 40 -8.068 5.796 4.885 1.00 0.00 ATOM 316 OE2 GLU 40 -9.964 5.533 3.800 1.00 0.00 ATOM 317 O GLU 40 -4.871 9.176 2.058 1.00 0.00 ATOM 318 C GLU 40 -4.846 7.961 1.843 1.00 0.00 ATOM 319 N GLU 41 -3.734 7.241 1.966 1.00 0.00 ATOM 320 CA GLU 41 -2.493 7.894 2.380 1.00 0.00 ATOM 321 CB GLU 41 -1.431 6.794 2.649 1.00 0.00 ATOM 322 CG GLU 41 -0.080 7.287 3.191 1.00 0.00 ATOM 323 CD GLU 41 -0.182 7.995 4.543 1.00 0.00 ATOM 324 OE1 GLU 41 -0.906 9.000 4.631 1.00 0.00 ATOM 325 OE2 GLU 41 0.471 7.557 5.516 1.00 0.00 ATOM 326 O GLU 41 -2.375 8.929 0.207 1.00 0.00 ATOM 327 C GLU 41 -1.764 8.516 1.195 1.00 0.00 ATOM 328 N LEU 42 -0.377 8.646 1.264 1.00 0.00 ATOM 329 CA LEU 42 0.431 9.204 0.201 1.00 0.00 ATOM 330 CB LEU 42 -0.113 8.791 -1.166 1.00 0.00 ATOM 331 CG LEU 42 -0.752 7.404 -1.251 1.00 0.00 ATOM 332 CD1 LEU 42 -1.396 7.190 -2.613 1.00 0.00 ATOM 333 CD2 LEU 42 0.294 6.317 -1.045 1.00 0.00 ATOM 334 O LEU 42 2.465 10.419 -0.107 1.00 0.00 ATOM 335 C LEU 42 1.258 10.487 0.135 1.00 0.00 ATOM 336 N GLU 43 0.644 11.636 0.298 1.00 0.00 ATOM 337 CA GLU 43 1.344 12.912 0.164 1.00 0.00 ATOM 338 CB GLU 43 0.479 14.082 0.521 1.00 0.00 ATOM 339 CG GLU 43 -0.626 14.324 -0.476 1.00 0.00 ATOM 340 CD GLU 43 -1.781 13.379 -0.285 1.00 0.00 ATOM 341 OE1 GLU 43 -2.072 12.996 0.866 1.00 0.00 ATOM 342 OE2 GLU 43 -2.431 13.083 -1.262 1.00 0.00 ATOM 343 O GLU 43 3.512 13.711 0.883 1.00 0.00 ATOM 344 C GLU 43 2.503 13.053 1.160 1.00 0.00 ATOM 345 N THR 44 2.323 12.426 2.325 1.00 0.00 ATOM 346 CA THR 44 3.290 12.403 3.414 1.00 0.00 ATOM 347 CB THR 44 2.570 12.103 4.776 1.00 0.00 ATOM 348 CG2 THR 44 1.368 13.003 5.011 1.00 0.00 ATOM 349 OG1 THR 44 2.104 10.756 4.700 1.00 0.00 ATOM 350 O THR 44 4.612 10.725 2.305 1.00 0.00 ATOM 351 C THR 44 4.589 11.642 3.127 1.00 0.00 ATOM 352 N PRO 45 5.771 12.027 3.817 1.00 0.00 ATOM 353 CA PRO 45 7.074 11.399 3.564 1.00 0.00 ATOM 354 CB PRO 45 7.904 11.838 4.772 1.00 0.00 ATOM 355 CG PRO 45 7.309 13.162 5.127 1.00 0.00 ATOM 356 CD PRO 45 5.828 12.871 5.024 1.00 0.00 ATOM 357 O PRO 45 8.274 9.533 2.650 1.00 0.00 ATOM 358 C PRO 45 7.411 9.906 3.446 1.00 0.00 ATOM 359 N ALA 46 6.757 9.092 4.197 1.00 0.00 ATOM 360 CA ALA 46 7.022 7.648 4.151 1.00 0.00 ATOM 361 CB ALA 46 6.307 6.940 5.292 1.00 0.00 ATOM 362 O ALA 46 5.258 7.272 2.557 1.00 0.00 ATOM 363 C ALA 46 6.472 7.258 2.786 1.00 0.00 ATOM 364 N LYS 47 7.230 6.958 1.643 1.00 0.00 ATOM 365 CA LYS 47 6.469 6.715 0.414 1.00 0.00 ATOM 366 CB LYS 47 7.433 6.475 -0.759 1.00 0.00 ATOM 367 CG LYS 47 8.101 7.732 -1.300 1.00 0.00 ATOM 368 CD LYS 47 7.132 8.534 -2.154 1.00 0.00 ATOM 369 CE LYS 47 7.737 9.855 -2.611 1.00 0.00 ATOM 370 NZ LYS 47 7.931 10.798 -1.476 1.00 0.00 ATOM 371 O LYS 47 5.952 4.443 1.026 1.00 0.00 ATOM 372 C LYS 47 5.563 5.487 0.498 1.00 0.00 ATOM 373 N VAL 48 4.333 5.656 0.038 1.00 0.00 ATOM 374 CA VAL 48 3.350 4.583 0.037 1.00 0.00 ATOM 375 CB VAL 48 2.202 4.961 0.986 1.00 0.00 ATOM 376 CG1 VAL 48 1.102 3.893 0.938 1.00 0.00 ATOM 377 CG2 VAL 48 2.725 5.107 2.408 1.00 0.00 ATOM 378 O VAL 48 2.424 5.523 -1.984 1.00 0.00 ATOM 379 C VAL 48 2.933 4.546 -1.435 1.00 0.00 ATOM 380 N TYR 49 3.296 3.443 -2.079 1.00 0.00 ATOM 381 CA TYR 49 2.857 3.173 -3.433 1.00 0.00 ATOM 382 CB TYR 49 4.043 2.746 -4.331 1.00 0.00 ATOM 383 CG TYR 49 5.236 3.670 -4.316 1.00 0.00 ATOM 384 CD1 TYR 49 5.244 4.841 -5.076 1.00 0.00 ATOM 385 CD2 TYR 49 6.361 3.369 -3.551 1.00 0.00 ATOM 386 CE1 TYR 49 6.346 5.687 -5.073 1.00 0.00 ATOM 387 CE2 TYR 49 7.462 4.206 -3.540 1.00 0.00 ATOM 388 CZ TYR 49 7.452 5.364 -4.302 1.00 0.00 ATOM 389 OH TYR 49 8.543 6.202 -4.277 1.00 0.00 ATOM 390 O TYR 49 1.979 0.971 -3.216 1.00 0.00 ATOM 391 C TYR 49 1.807 2.104 -3.664 1.00 0.00 ATOM 392 N ALA 50 0.828 2.539 -4.341 1.00 0.00 ATOM 393 CA ALA 50 -0.259 1.600 -4.618 1.00 0.00 ATOM 394 CB ALA 50 -1.566 2.378 -4.601 1.00 0.00 ATOM 395 O ALA 50 0.252 1.678 -6.961 1.00 0.00 ATOM 396 C ALA 50 -0.025 0.971 -5.996 1.00 0.00 ATOM 397 N ILE 51 -0.160 -0.428 -6.222 1.00 0.00 ATOM 398 CA ILE 51 0.045 -1.122 -7.490 1.00 0.00 ATOM 399 CB ILE 51 -0.029 -2.709 -7.340 1.00 0.00 ATOM 400 CG1 ILE 51 0.976 -3.224 -6.290 1.00 0.00 ATOM 401 CG2 ILE 51 0.230 -3.365 -8.760 1.00 0.00 ATOM 402 CD1 ILE 51 2.467 -2.859 -6.652 1.00 0.00 ATOM 403 O ILE 51 -2.197 -0.830 -8.304 1.00 0.00 ATOM 404 C ILE 51 -0.988 -0.765 -8.544 1.00 0.00 ATOM 405 N LYS 52 -0.492 -0.322 -9.698 1.00 0.00 ATOM 406 CA LYS 52 -1.315 0.085 -10.832 1.00 0.00 ATOM 407 CB LYS 52 -0.441 0.344 -12.062 1.00 0.00 ATOM 408 CG LYS 52 -1.211 0.837 -13.276 1.00 0.00 ATOM 409 CD LYS 52 -0.277 1.140 -14.436 1.00 0.00 ATOM 410 CE LYS 52 -1.046 1.624 -15.654 1.00 0.00 ATOM 411 NZ LYS 52 -0.143 1.926 -16.799 1.00 0.00 ATOM 412 O LYS 52 -3.477 -0.322 -11.837 1.00 0.00 ATOM 413 C LYS 52 -2.365 -0.796 -11.500 1.00 0.00 ATOM 414 N ASP 53 -2.344 -2.187 -11.947 1.00 0.00 ATOM 415 CA ASP 53 -3.362 -3.029 -12.606 1.00 0.00 ATOM 416 CB ASP 53 -2.745 -4.427 -12.601 1.00 0.00 ATOM 417 CG ASP 53 -1.721 -4.616 -13.705 1.00 0.00 ATOM 418 OD1 ASP 53 -1.659 -3.758 -14.612 1.00 0.00 ATOM 419 OD2 ASP 53 -0.982 -5.621 -13.663 1.00 0.00 ATOM 420 O ASP 53 -5.735 -2.985 -12.267 1.00 0.00 ATOM 421 C ASP 53 -4.621 -3.013 -11.744 1.00 0.00 ATOM 422 N ASP 54 -4.415 -2.935 -10.419 1.00 0.00 ATOM 423 CA ASP 54 -5.557 -2.911 -9.513 1.00 0.00 ATOM 424 CB ASP 54 -5.013 -2.887 -8.040 1.00 0.00 ATOM 425 CG ASP 54 -4.723 -4.271 -7.546 1.00 0.00 ATOM 426 OD1 ASP 54 -5.049 -5.275 -8.172 1.00 0.00 ATOM 427 OD2 ASP 54 -4.069 -4.283 -6.416 1.00 0.00 ATOM 428 O ASP 54 -7.692 -1.868 -9.748 1.00 0.00 ATOM 429 C ASP 54 -6.471 -1.697 -9.657 1.00 0.00 ATOM 430 N PHE 55 -5.926 -0.512 -9.733 1.00 0.00 ATOM 431 CA PHE 55 -6.746 0.684 -9.920 1.00 0.00 ATOM 432 CB PHE 55 -5.848 1.937 -9.729 1.00 0.00 ATOM 433 CG PHE 55 -5.888 2.522 -8.346 1.00 0.00 ATOM 434 CD1 PHE 55 -6.967 3.303 -7.941 1.00 0.00 ATOM 435 CD2 PHE 55 -4.864 2.271 -7.437 1.00 0.00 ATOM 436 CE1 PHE 55 -7.027 3.825 -6.656 1.00 0.00 ATOM 437 CE2 PHE 55 -4.916 2.789 -6.148 1.00 0.00 ATOM 438 CZ PHE 55 -6.000 3.571 -5.756 1.00 0.00 ATOM 439 O PHE 55 -8.591 1.117 -11.352 1.00 0.00 ATOM 440 C PHE 55 -7.453 0.673 -11.235 1.00 0.00 ATOM 441 N LEU 56 -6.752 0.185 -12.256 1.00 0.00 ATOM 442 CA LEU 56 -7.348 0.124 -13.569 1.00 0.00 ATOM 443 CB LEU 56 -6.388 -0.406 -14.636 1.00 0.00 ATOM 444 CG LEU 56 -5.230 0.516 -15.025 1.00 0.00 ATOM 445 CD1 LEU 56 -4.259 -0.200 -15.950 1.00 0.00 ATOM 446 CD2 LEU 56 -5.746 1.754 -15.742 1.00 0.00 ATOM 447 O LEU 56 -9.606 -0.484 -14.084 1.00 0.00 ATOM 448 C LEU 56 -8.554 -0.805 -13.537 1.00 0.00 ATOM 449 N ALA 57 -8.381 -1.927 -12.940 1.00 0.00 ATOM 450 CA ALA 57 -9.437 -2.928 -12.892 1.00 0.00 ATOM 451 CB ALA 57 -8.972 -4.199 -12.197 1.00 0.00 ATOM 452 O ALA 57 -11.807 -2.743 -12.517 1.00 0.00 ATOM 453 C ALA 57 -10.671 -2.439 -12.133 1.00 0.00 ATOM 454 N ARG 58 -10.433 -1.629 -11.121 1.00 0.00 ATOM 455 CA ARG 58 -11.522 -1.115 -10.293 1.00 0.00 ATOM 456 CB ARG 58 -10.990 -1.533 -8.792 1.00 0.00 ATOM 457 CG ARG 58 -12.040 -1.834 -7.758 1.00 0.00 ATOM 458 CD ARG 58 -12.292 -3.327 -7.681 1.00 0.00 ATOM 459 NE ARG 58 -11.045 -4.067 -7.519 1.00 0.00 ATOM 460 CZ ARG 58 -10.166 -3.850 -6.546 1.00 0.00 ATOM 461 NH1 ARG 58 -9.056 -4.572 -6.481 1.00 0.00 ATOM 462 NH2 ARG 58 -10.396 -2.914 -5.637 1.00 0.00 ATOM 463 O ARG 58 -13.086 0.691 -10.249 1.00 0.00 ATOM 464 C ARG 58 -12.092 0.199 -10.788 1.00 0.00 ATOM 465 N GLY 59 -11.456 0.811 -11.802 1.00 0.00 ATOM 466 CA GLY 59 -11.910 2.069 -12.357 1.00 0.00 ATOM 467 O GLY 59 -11.911 4.401 -11.879 1.00 0.00 ATOM 468 C GLY 59 -11.496 3.292 -11.559 1.00 0.00 ATOM 469 N TYR 60 -10.689 3.061 -10.449 1.00 0.00 ATOM 470 CA TYR 60 -10.258 4.163 -9.597 1.00 0.00 ATOM 471 CB TYR 60 -9.979 3.586 -8.159 1.00 0.00 ATOM 472 CG TYR 60 -11.149 3.008 -7.366 1.00 0.00 ATOM 473 CD1 TYR 60 -12.363 2.652 -7.950 1.00 0.00 ATOM 474 CD2 TYR 60 -11.009 2.865 -6.001 1.00 0.00 ATOM 475 CE1 TYR 60 -13.416 2.167 -7.172 1.00 0.00 ATOM 476 CE2 TYR 60 -12.042 2.356 -5.212 1.00 0.00 ATOM 477 CZ TYR 60 -13.236 2.030 -5.796 1.00 0.00 ATOM 478 OH TYR 60 -14.273 1.589 -4.971 1.00 0.00 ATOM 479 O TYR 60 -8.241 4.768 -10.743 1.00 0.00 ATOM 480 C TYR 60 -9.288 5.149 -10.237 1.00 0.00 ATOM 481 N SER 61 -9.614 6.430 -10.111 1.00 0.00 ATOM 482 CA SER 61 -8.632 7.461 -10.360 1.00 0.00 ATOM 483 CB SER 61 -9.354 8.810 -10.255 1.00 0.00 ATOM 484 OG SER 61 -9.540 9.186 -8.894 1.00 0.00 ATOM 485 O SER 61 -7.563 7.461 -8.260 1.00 0.00 ATOM 486 C SER 61 -7.410 7.517 -9.465 1.00 0.00 ATOM 487 N GLU 62 -6.062 7.707 -9.764 1.00 0.00 ATOM 488 CA GLU 62 -5.074 8.071 -8.756 1.00 0.00 ATOM 489 CB GLU 62 -4.530 6.829 -8.057 1.00 0.00 ATOM 490 CG GLU 62 -3.527 7.176 -6.981 1.00 0.00 ATOM 491 CD GLU 62 -2.973 5.964 -6.266 1.00 0.00 ATOM 492 OE1 GLU 62 -3.632 5.482 -5.319 1.00 0.00 ATOM 493 OE2 GLU 62 -1.874 5.511 -6.644 1.00 0.00 ATOM 494 O GLU 62 -3.458 9.835 -8.789 1.00 0.00 ATOM 495 C GLU 62 -3.928 8.879 -9.381 1.00 0.00 ATOM 496 N GLU 63 -3.426 8.480 -10.545 1.00 0.00 ATOM 497 CA GLU 63 -2.363 9.210 -11.201 1.00 0.00 ATOM 498 CB GLU 63 -1.873 8.362 -12.413 1.00 0.00 ATOM 499 CG GLU 63 -0.852 9.093 -13.268 1.00 0.00 ATOM 500 CD GLU 63 0.439 9.390 -12.555 1.00 0.00 ATOM 501 OE1 GLU 63 0.742 8.881 -11.457 1.00 0.00 ATOM 502 OE2 GLU 63 1.204 10.224 -13.151 1.00 0.00 ATOM 503 O GLU 63 -1.920 11.526 -11.560 1.00 0.00 ATOM 504 C GLU 63 -2.774 10.663 -11.468 1.00 0.00 ATOM 505 N ASP 64 -4.132 10.923 -11.610 1.00 0.00 ATOM 506 CA ASP 64 -4.525 12.299 -11.936 1.00 0.00 ATOM 507 CB ASP 64 -6.007 12.358 -12.311 1.00 0.00 ATOM 508 CG ASP 64 -6.288 11.759 -13.675 1.00 0.00 ATOM 509 OD1 ASP 64 -5.321 11.515 -14.426 1.00 0.00 ATOM 510 OD2 ASP 64 -7.475 11.537 -13.995 1.00 0.00 ATOM 511 O ASP 64 -4.065 14.383 -10.898 1.00 0.00 ATOM 512 C ASP 64 -4.288 13.195 -10.740 1.00 0.00 ATOM 513 N SER 65 -4.324 12.648 -9.528 1.00 0.00 ATOM 514 CA SER 65 -4.076 13.428 -8.330 1.00 0.00 ATOM 515 CB SER 65 -4.721 12.764 -7.112 1.00 0.00 ATOM 516 OG SER 65 -3.997 11.624 -6.682 1.00 0.00 ATOM 517 O SER 65 -2.282 14.314 -7.003 1.00 0.00 ATOM 518 C SER 65 -2.605 13.717 -8.027 1.00 0.00 ATOM 519 N LYS 66 -1.689 13.245 -8.845 1.00 0.00 ATOM 520 CA LYS 66 -0.253 13.389 -8.629 1.00 0.00 ATOM 521 CB LYS 66 0.111 14.863 -8.674 1.00 0.00 ATOM 522 CG LYS 66 -0.783 15.761 -7.838 1.00 0.00 ATOM 523 CD LYS 66 -0.472 17.225 -8.080 1.00 0.00 ATOM 524 CE LYS 66 -0.682 17.614 -9.535 1.00 0.00 ATOM 525 NZ LYS 66 -2.094 17.428 -9.969 1.00 0.00 ATOM 526 O LYS 66 0.989 13.280 -6.589 1.00 0.00 ATOM 527 C LYS 66 0.194 12.738 -7.332 1.00 0.00 ATOM 528 N VAL 67 -0.274 11.447 -7.067 1.00 0.00 ATOM 529 CA VAL 67 0.142 10.642 -5.905 1.00 0.00 ATOM 530 CB VAL 67 -1.045 10.285 -4.983 1.00 0.00 ATOM 531 CG1 VAL 67 -1.620 11.543 -4.333 1.00 0.00 ATOM 532 CG2 VAL 67 -2.133 9.504 -5.721 1.00 0.00 ATOM 533 O VAL 67 0.569 8.860 -7.474 1.00 0.00 ATOM 534 C VAL 67 0.766 9.323 -6.342 1.00 0.00 ATOM 535 N PRO 68 1.549 8.698 -5.465 1.00 0.00 ATOM 536 CA PRO 68 2.110 7.389 -5.796 1.00 0.00 ATOM 537 CB PRO 68 3.417 7.404 -4.738 1.00 0.00 ATOM 538 CG PRO 68 3.256 8.696 -4.036 1.00 0.00 ATOM 539 CD PRO 68 1.704 8.886 -4.065 1.00 0.00 ATOM 540 O PRO 68 0.885 5.323 -5.466 1.00 0.00 ATOM 541 C PRO 68 1.391 6.120 -6.281 1.00 0.00 ATOM 542 N LEU 69 1.510 5.683 -7.771 1.00 0.00 ATOM 543 CA LEU 69 0.862 4.532 -8.452 1.00 0.00 ATOM 544 CB LEU 69 -0.412 4.956 -9.185 1.00 0.00 ATOM 545 CG LEU 69 -1.113 3.876 -10.012 1.00 0.00 ATOM 546 CD1 LEU 69 -1.581 2.737 -9.120 1.00 0.00 ATOM 547 CD2 LEU 69 -2.326 4.447 -10.728 1.00 0.00 ATOM 548 O LEU 69 2.160 4.845 -10.426 1.00 0.00 ATOM 549 C LEU 69 1.858 4.087 -9.509 1.00 0.00 ATOM 550 N ILE 70 2.052 2.898 -8.728 1.00 0.00 ATOM 551 CA ILE 70 3.319 2.360 -9.200 1.00 0.00 ATOM 552 CB ILE 70 4.214 1.918 -8.029 1.00 0.00 ATOM 553 CG1 ILE 70 3.529 0.818 -7.217 1.00 0.00 ATOM 554 CG2 ILE 70 4.503 3.090 -7.104 1.00 0.00 ATOM 555 CD1 ILE 70 4.430 0.160 -6.197 1.00 0.00 ATOM 556 O ILE 70 1.928 0.836 -10.464 1.00 0.00 ATOM 557 C ILE 70 3.074 1.162 -10.125 1.00 0.00 ATOM 558 N THR 71 4.262 0.590 -10.313 1.00 0.00 ATOM 559 CA THR 71 4.214 -0.580 -11.175 1.00 0.00 ATOM 560 CB THR 71 4.813 -0.252 -12.554 1.00 0.00 ATOM 561 CG2 THR 71 4.060 0.901 -13.200 1.00 0.00 ATOM 562 OG1 THR 71 6.188 0.119 -12.403 1.00 0.00 ATOM 563 O THR 71 5.764 -1.636 -9.679 1.00 0.00 ATOM 564 C THR 71 4.914 -1.774 -10.567 1.00 0.00 ATOM 565 N TYR 72 4.390 -2.946 -11.207 1.00 0.00 ATOM 566 CA TYR 72 4.915 -4.230 -10.872 1.00 0.00 ATOM 567 CB TYR 72 4.185 -5.307 -11.659 1.00 0.00 ATOM 568 CG TYR 72 4.562 -6.724 -11.336 1.00 0.00 ATOM 569 CD1 TYR 72 4.272 -7.324 -10.102 1.00 0.00 ATOM 570 CD2 TYR 72 5.215 -7.513 -12.294 1.00 0.00 ATOM 571 CE1 TYR 72 4.643 -8.646 -9.839 1.00 0.00 ATOM 572 CE2 TYR 72 5.571 -8.842 -12.020 1.00 0.00 ATOM 573 CZ TYR 72 5.267 -9.383 -10.803 1.00 0.00 ATOM 574 OH TYR 72 5.630 -10.708 -10.557 1.00 0.00 ATOM 575 O TYR 72 7.170 -4.828 -10.322 1.00 0.00 ATOM 576 C TYR 72 6.430 -4.188 -11.063 1.00 0.00 ATOM 577 N SER 73 6.857 -3.451 -12.081 1.00 0.00 ATOM 578 CA SER 73 8.280 -3.342 -12.395 1.00 0.00 ATOM 579 CB SER 73 8.480 -2.439 -13.621 1.00 0.00 ATOM 580 OG SER 73 7.867 -2.996 -14.772 1.00 0.00 ATOM 581 O SER 73 10.103 -3.228 -10.847 1.00 0.00 ATOM 582 C SER 73 9.039 -2.743 -11.220 1.00 0.00 ATOM 583 N GLU 74 8.497 -1.689 -10.635 1.00 0.00 ATOM 584 CA GLU 74 9.163 -1.045 -9.514 1.00 0.00 ATOM 585 CB GLU 74 8.513 0.329 -9.260 1.00 0.00 ATOM 586 CG GLU 74 8.573 1.230 -10.489 1.00 0.00 ATOM 587 CD GLU 74 8.087 2.641 -10.232 1.00 0.00 ATOM 588 OE1 GLU 74 6.967 2.800 -9.705 1.00 0.00 ATOM 589 OE2 GLU 74 8.819 3.592 -10.570 1.00 0.00 ATOM 590 O GLU 74 10.152 -1.784 -7.464 1.00 0.00 ATOM 591 C GLU 74 9.210 -1.901 -8.256 1.00 0.00 ATOM 592 N PHE 75 8.098 -2.555 -7.926 1.00 0.00 ATOM 593 CA PHE 75 8.051 -3.407 -6.745 1.00 0.00 ATOM 594 CB PHE 75 6.686 -4.034 -6.613 1.00 0.00 ATOM 595 CG PHE 75 6.576 -5.073 -5.533 1.00 0.00 ATOM 596 CD1 PHE 75 6.886 -4.766 -4.212 1.00 0.00 ATOM 597 CD2 PHE 75 6.035 -6.328 -5.823 1.00 0.00 ATOM 598 CE1 PHE 75 6.651 -5.682 -3.195 1.00 0.00 ATOM 599 CE2 PHE 75 5.794 -7.245 -4.813 1.00 0.00 ATOM 600 CZ PHE 75 6.100 -6.921 -3.496 1.00 0.00 ATOM 601 O PHE 75 9.939 -4.711 -6.004 1.00 0.00 ATOM 602 C PHE 75 9.164 -4.439 -6.924 1.00 0.00 ATOM 603 N ILE 76 9.270 -5.030 -8.072 1.00 0.00 ATOM 604 CA ILE 76 10.292 -6.026 -8.371 1.00 0.00 ATOM 605 CB ILE 76 10.228 -6.540 -9.793 1.00 0.00 ATOM 606 CG1 ILE 76 8.966 -7.405 -9.944 1.00 0.00 ATOM 607 CG2 ILE 76 11.475 -7.345 -10.124 1.00 0.00 ATOM 608 CD1 ILE 76 8.716 -7.931 -11.351 1.00 0.00 ATOM 609 O ILE 76 12.552 -5.930 -7.554 1.00 0.00 ATOM 610 C ILE 76 11.659 -5.352 -8.180 1.00 0.00 ATOM 611 N ASP 77 11.825 -4.139 -8.730 1.00 0.00 ATOM 612 CA ASP 77 13.098 -3.425 -8.593 1.00 0.00 ATOM 613 CB ASP 77 13.012 -2.052 -9.260 1.00 0.00 ATOM 614 CG ASP 77 12.987 -2.138 -10.773 1.00 0.00 ATOM 615 OD1 ASP 77 13.276 -3.228 -11.310 1.00 0.00 ATOM 616 OD2 ASP 77 12.681 -1.117 -11.422 1.00 0.00 ATOM 617 O ASP 77 14.600 -3.523 -6.715 1.00 0.00 ATOM 618 C ASP 77 13.474 -3.217 -7.114 1.00 0.00 ATOM 619 N LEU 78 12.518 -2.765 -6.337 1.00 0.00 ATOM 620 CA LEU 78 12.781 -2.567 -4.902 1.00 0.00 ATOM 621 CB LEU 78 11.513 -2.070 -4.205 1.00 0.00 ATOM 622 CG LEU 78 11.035 -0.667 -4.587 1.00 0.00 ATOM 623 CD1 LEU 78 9.679 -0.374 -3.965 1.00 0.00 ATOM 624 CD2 LEU 78 12.018 0.387 -4.102 1.00 0.00 ATOM 625 O LEU 78 14.215 -3.993 -3.595 1.00 0.00 ATOM 626 C LEU 78 13.231 -3.914 -4.332 1.00 0.00 ATOM 627 N LEU 79 12.568 -4.972 -4.793 1.00 0.00 ATOM 628 CA LEU 79 12.839 -6.341 -4.368 1.00 0.00 ATOM 629 CB LEU 79 11.869 -7.312 -5.042 1.00 0.00 ATOM 630 CG LEU 79 12.046 -8.793 -4.702 1.00 0.00 ATOM 631 CD1 LEU 79 11.831 -9.032 -3.216 1.00 0.00 ATOM 632 CD2 LEU 79 11.046 -9.645 -5.470 1.00 0.00 ATOM 633 O LEU 79 14.974 -7.330 -3.911 1.00 0.00 ATOM 634 C LEU 79 14.250 -6.769 -4.728 1.00 0.00 ATOM 635 N GLU 80 14.640 -6.484 -5.970 1.00 0.00 ATOM 636 CA GLU 80 15.962 -6.840 -6.468 1.00 0.00 ATOM 637 CB GLU 80 15.895 -6.754 -8.014 1.00 0.00 ATOM 638 CG GLU 80 17.284 -6.955 -8.660 1.00 0.00 ATOM 639 CD GLU 80 17.869 -8.334 -8.445 1.00 0.00 ATOM 640 OE1 GLU 80 17.199 -9.290 -7.995 1.00 0.00 ATOM 641 OE2 GLU 80 19.065 -8.484 -8.808 1.00 0.00 ATOM 642 O GLU 80 18.213 -6.585 -5.667 1.00 0.00 ATOM 643 C GLU 80 17.099 -6.074 -5.783 1.00 0.00 ATOM 644 N GLY 81 16.826 -4.847 -5.355 1.00 0.00 ATOM 645 CA GLY 81 17.846 -4.025 -4.722 1.00 0.00 ATOM 646 O GLY 81 18.420 -2.968 -2.662 1.00 0.00 ATOM 647 C GLY 81 17.778 -3.855 -3.228 1.00 0.00 ATOM 648 N GLU 82 16.897 -4.794 -2.686 1.00 0.00 ATOM 649 CA GLU 82 16.755 -4.759 -1.211 1.00 0.00 ATOM 650 CB GLU 82 15.268 -4.745 -0.838 1.00 0.00 ATOM 651 CG GLU 82 14.455 -3.709 -1.575 1.00 0.00 ATOM 652 CD GLU 82 14.045 -2.557 -0.689 1.00 0.00 ATOM 653 OE1 GLU 82 14.881 -2.091 0.114 1.00 0.00 ATOM 654 OE2 GLU 82 12.883 -2.114 -0.797 1.00 0.00 ATOM 655 O GLU 82 17.455 -7.040 -1.040 1.00 0.00 ATOM 656 C GLU 82 17.441 -5.924 -0.527 1.00 0.00 ATOM 657 N GLU 83 17.968 -5.686 0.667 1.00 0.00 ATOM 658 CA GLU 83 18.624 -6.748 1.406 1.00 0.00 ATOM 659 CB GLU 83 19.681 -6.000 2.347 1.00 0.00 ATOM 660 CG GLU 83 21.017 -5.705 1.678 1.00 0.00 ATOM 661 CD GLU 83 20.910 -4.672 0.574 1.00 0.00 ATOM 662 OE1 GLU 83 20.835 -3.450 0.897 1.00 0.00 ATOM 663 OE2 GLU 83 20.900 -5.077 -0.608 1.00 0.00 ATOM 664 O GLU 83 17.676 -8.901 1.887 1.00 0.00 ATOM 665 C GLU 83 17.546 -7.675 1.943 1.00 0.00 ATOM 666 N LYS 84 16.449 -7.092 2.406 1.00 0.00 ATOM 667 CA LYS 84 15.348 -7.886 2.937 1.00 0.00 ATOM 668 CB LYS 84 15.279 -7.812 4.460 1.00 0.00 ATOM 669 CG LYS 84 14.107 -8.627 5.034 1.00 0.00 ATOM 670 CD LYS 84 14.052 -8.530 6.563 1.00 0.00 ATOM 671 CE LYS 84 12.781 -9.165 7.099 1.00 0.00 ATOM 672 NZ LYS 84 12.591 -8.877 8.528 1.00 0.00 ATOM 673 O LYS 84 13.664 -6.268 2.304 1.00 0.00 ATOM 674 C LYS 84 13.975 -7.458 2.448 1.00 0.00 ATOM 675 N PHE 85 13.124 -8.701 2.199 1.00 0.00 ATOM 676 CA PHE 85 11.757 -8.333 1.759 1.00 0.00 ATOM 677 CB PHE 85 11.469 -9.035 0.400 1.00 0.00 ATOM 678 CG PHE 85 10.022 -8.986 -0.025 1.00 0.00 ATOM 679 CD1 PHE 85 9.370 -7.773 -0.208 1.00 0.00 ATOM 680 CD2 PHE 85 9.312 -10.157 -0.226 1.00 0.00 ATOM 681 CE1 PHE 85 8.022 -7.733 -0.585 1.00 0.00 ATOM 682 CE2 PHE 85 7.968 -10.128 -0.601 1.00 0.00 ATOM 683 CZ PHE 85 7.327 -8.914 -0.778 1.00 0.00 ATOM 684 O PHE 85 10.711 -9.769 3.345 1.00 0.00 ATOM 685 C PHE 85 10.760 -8.635 2.871 1.00 0.00 ATOM 686 N ILE 86 10.048 -7.585 3.292 1.00 0.00 ATOM 687 CA ILE 86 9.046 -7.711 4.347 1.00 0.00 ATOM 688 CB ILE 86 8.509 -6.334 4.742 1.00 0.00 ATOM 689 CG1 ILE 86 9.605 -5.563 5.479 1.00 0.00 ATOM 690 CG2 ILE 86 7.277 -6.484 5.622 1.00 0.00 ATOM 691 CD1 ILE 86 9.245 -4.164 5.849 1.00 0.00 ATOM 692 O ILE 86 7.415 -9.434 4.753 1.00 0.00 ATOM 693 C ILE 86 7.915 -8.662 3.940 1.00 0.00 ATOM 694 N GLY 87 7.472 -8.588 2.694 1.00 0.00 ATOM 695 CA GLY 87 6.454 -9.503 2.204 1.00 0.00 ATOM 696 O GLY 87 4.123 -9.957 2.122 1.00 0.00 ATOM 697 C GLY 87 4.998 -9.167 2.466 1.00 0.00 TER END