PFRMAT TS TARGET T0223 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 model is the result of sidechain replacement on the backbone of METHOD 1nox, the best-scoring template with the sam-t02 method, and 3rd best METHOD with sam-t04. METHOD Sidechain optimization was done with SCWRL. METHOD METHOD The alignment was created with a 3-track HMM: METHOD T0223-1nox-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD METHOD METHOD REMARK 6 REMARK 6 T0223 model 5 Sun Aug 15 16:22:18 2004 MODEL 5 PARENT 1nox ATOM 2 N ASN 2 -5.438 7.792 22.715 1.00 0.00 ATOM 3 CA ASN 2 -4.281 8.052 23.578 1.00 0.00 ATOM 4 CB ASN 2 -4.404 7.272 24.888 1.00 0.00 ATOM 5 CG ASN 2 -5.491 7.817 25.792 1.00 0.00 ATOM 6 ND2 ASN 2 -5.958 6.991 26.721 1.00 0.00 ATOM 7 OD1 ASN 2 -5.905 8.968 25.657 1.00 0.00 ATOM 8 O ASN 2 -3.082 6.708 21.945 1.00 0.00 ATOM 9 C ASN 2 -3.027 7.606 22.818 1.00 0.00 ATOM 10 N ILE 3 -1.884 8.219 23.160 1.00 0.00 ATOM 11 CA ILE 3 -0.668 7.950 22.375 1.00 0.00 ATOM 12 CB ILE 3 0.491 8.871 22.797 1.00 0.00 ATOM 13 CG1 ILE 3 0.192 10.319 22.407 1.00 0.00 ATOM 14 CG2 ILE 3 1.784 8.446 22.116 1.00 0.00 ATOM 15 CD1 ILE 3 1.148 11.325 23.010 1.00 0.00 ATOM 16 O ILE 3 0.417 5.988 21.563 1.00 0.00 ATOM 17 C ILE 3 -0.166 6.514 22.530 1.00 0.00 ATOM 18 N PHE 4 -0.336 5.869 23.709 1.00 0.00 ATOM 19 CA PHE 4 0.138 4.472 23.819 1.00 0.00 ATOM 20 CB PHE 4 0.018 3.978 25.262 1.00 0.00 ATOM 21 CG PHE 4 0.457 2.554 25.454 1.00 0.00 ATOM 22 CD1 PHE 4 1.800 2.234 25.526 1.00 0.00 ATOM 23 CD2 PHE 4 -0.475 1.536 25.561 1.00 0.00 ATOM 24 CE1 PHE 4 2.204 0.923 25.702 1.00 0.00 ATOM 25 CE2 PHE 4 -0.071 0.226 25.739 1.00 0.00 ATOM 26 CZ PHE 4 1.262 -0.082 25.808 1.00 0.00 ATOM 27 O PHE 4 -0.092 2.741 22.187 1.00 0.00 ATOM 28 C PHE 4 -0.675 3.540 22.934 1.00 0.00 ATOM 29 N GLU 5 -2.017 3.644 22.925 1.00 0.00 ATOM 30 CA GLU 5 -2.832 2.768 22.073 1.00 0.00 ATOM 31 CB GLU 5 -4.321 3.060 22.272 1.00 0.00 ATOM 32 CG GLU 5 -4.866 2.615 23.621 1.00 0.00 ATOM 33 CD GLU 5 -6.309 3.030 23.831 1.00 0.00 ATOM 34 OE1 GLU 5 -6.860 3.729 22.954 1.00 0.00 ATOM 35 OE2 GLU 5 -6.887 2.656 24.872 1.00 0.00 ATOM 36 O GLU 5 -2.365 2.038 19.801 1.00 0.00 ATOM 37 C GLU 5 -2.498 2.977 20.582 1.00 0.00 ATOM 38 N ALA 6 -2.269 4.248 20.222 1.00 0.00 ATOM 39 CA ALA 6 -1.897 4.510 18.823 1.00 0.00 ATOM 40 CB ALA 6 -1.704 6.001 18.596 1.00 0.00 ATOM 41 O ALA 6 -0.526 3.238 17.321 1.00 0.00 ATOM 42 C ALA 6 -0.616 3.836 18.396 1.00 0.00 ATOM 43 N ILE 7 0.420 3.926 19.249 1.00 0.00 ATOM 44 CA ILE 7 1.691 3.296 18.896 1.00 0.00 ATOM 45 CB ILE 7 2.797 3.651 19.906 1.00 0.00 ATOM 46 CG1 ILE 7 3.144 5.138 19.817 1.00 0.00 ATOM 47 CG2 ILE 7 4.055 2.845 19.625 1.00 0.00 ATOM 48 CD1 ILE 7 4.025 5.630 20.946 1.00 0.00 ATOM 49 O ILE 7 2.144 1.142 18.011 1.00 0.00 ATOM 50 C ILE 7 1.552 1.776 18.871 1.00 0.00 ATOM 51 N GLU 8 0.836 1.223 19.860 1.00 0.00 ATOM 52 CA GLU 8 0.744 -0.251 19.840 1.00 0.00 ATOM 53 CB GLU 8 0.162 -0.770 21.157 1.00 0.00 ATOM 54 CG GLU 8 1.084 -0.596 22.354 1.00 0.00 ATOM 55 CD GLU 8 2.418 -1.292 22.167 1.00 0.00 ATOM 56 OE1 GLU 8 2.418 -2.498 21.841 1.00 0.00 ATOM 57 OE2 GLU 8 3.463 -0.632 22.346 1.00 0.00 ATOM 58 O GLU 8 0.153 -1.982 18.323 1.00 0.00 ATOM 59 C GLU 8 -0.125 -0.827 18.751 1.00 0.00 ATOM 60 N ASN 9 -1.143 -0.122 18.259 1.00 0.00 ATOM 61 CA ASN 9 -2.052 -0.704 17.264 1.00 0.00 ATOM 62 CB ASN 9 -3.470 -0.160 17.450 1.00 0.00 ATOM 63 CG ASN 9 -4.111 -0.635 18.740 1.00 0.00 ATOM 64 ND2 ASN 9 -5.058 0.143 19.250 1.00 0.00 ATOM 65 OD1 ASN 9 -3.756 -1.688 19.271 1.00 0.00 ATOM 66 O ASN 9 -2.178 -1.120 14.925 1.00 0.00 ATOM 67 C ASN 9 -1.674 -0.420 15.815 1.00 0.00 ATOM 68 N ARG 10 -0.795 0.559 15.554 1.00 0.00 ATOM 69 CA ARG 10 -0.540 0.901 14.146 1.00 0.00 ATOM 70 CB ARG 10 0.439 2.074 14.050 1.00 0.00 ATOM 71 CG ARG 10 1.854 1.740 14.494 1.00 0.00 ATOM 72 CD ARG 10 2.749 2.968 14.456 1.00 0.00 ATOM 73 NE ARG 10 4.128 2.652 14.824 1.00 0.00 ATOM 74 CZ ARG 10 5.109 3.546 14.876 1.00 0.00 ATOM 75 NH1 ARG 10 6.333 3.168 15.221 1.00 0.00 ATOM 76 NH2 ARG 10 4.866 4.817 14.584 1.00 0.00 ATOM 77 O ARG 10 1.056 -0.867 13.729 1.00 0.00 ATOM 78 C ARG 10 0.062 -0.232 13.331 1.00 0.00 ATOM 79 N HIS 11 -0.482 -0.424 12.126 1.00 0.00 ATOM 80 CA HIS 11 0.110 -1.220 11.077 1.00 0.00 ATOM 81 CB HIS 11 -0.682 -2.512 10.875 1.00 0.00 ATOM 82 CG HIS 11 -0.685 -3.414 12.069 1.00 0.00 ATOM 83 CD2 HIS 11 -1.619 -3.711 13.144 1.00 0.00 ATOM 84 ND1 HIS 11 0.377 -4.237 12.382 1.00 0.00 ATOM 85 CE1 HIS 11 0.084 -4.921 13.502 1.00 0.00 ATOM 86 NE2 HIS 11 -1.111 -4.611 13.965 1.00 0.00 ATOM 87 O HIS 11 -0.887 0.454 9.677 1.00 0.00 ATOM 88 C HIS 11 0.070 -0.347 9.790 1.00 0.00 ATOM 89 N SER 12 0.977 -0.531 8.843 1.00 0.00 ATOM 90 CA SER 12 0.873 0.206 7.555 1.00 0.00 ATOM 91 CB SER 12 2.157 0.045 6.741 1.00 0.00 ATOM 92 OG SER 12 2.041 0.675 5.477 1.00 0.00 ATOM 93 O SER 12 -0.581 -1.572 6.757 1.00 0.00 ATOM 94 C SER 12 -0.304 -0.344 6.743 1.00 0.00 ATOM 95 N VAL 13 -0.981 0.609 6.084 1.00 0.00 ATOM 96 CA VAL 13 -2.198 0.287 5.289 1.00 0.00 ATOM 97 CB VAL 13 -3.419 1.089 5.776 1.00 0.00 ATOM 98 CG1 VAL 13 -4.638 0.778 4.920 1.00 0.00 ATOM 99 CG2 VAL 13 -3.744 0.741 7.220 1.00 0.00 ATOM 100 O VAL 13 -1.437 1.760 3.568 1.00 0.00 ATOM 101 C VAL 13 -1.915 0.638 3.832 1.00 0.00 ATOM 102 N ARG 14 -2.288 -0.269 2.908 1.00 0.00 ATOM 103 CA ARG 14 -1.976 -0.079 1.492 1.00 0.00 ATOM 104 CB ARG 14 -0.977 -1.136 1.018 1.00 0.00 ATOM 105 CG ARG 14 0.407 -1.001 1.632 1.00 0.00 ATOM 106 CD ARG 14 1.304 -2.160 1.229 1.00 0.00 ATOM 107 NE ARG 14 2.662 -2.006 1.744 1.00 0.00 ATOM 108 CZ ARG 14 3.030 -2.312 2.984 1.00 0.00 ATOM 109 NH1 ARG 14 4.290 -2.138 3.364 1.00 0.00 ATOM 110 NH2 ARG 14 2.141 -2.792 3.841 1.00 0.00 ATOM 111 O ARG 14 -3.116 -0.189 -0.610 1.00 0.00 ATOM 112 C ARG 14 -3.220 -0.190 0.622 1.00 0.00 ATOM 113 N ASP 15 -4.387 -0.312 1.225 1.00 0.00 ATOM 114 CA ASP 15 -5.672 -0.348 0.522 1.00 0.00 ATOM 115 CB ASP 15 -6.266 -1.758 0.563 1.00 0.00 ATOM 116 CG ASP 15 -7.536 -1.878 -0.258 1.00 0.00 ATOM 117 OD1 ASP 15 -8.010 -0.846 -0.775 1.00 0.00 ATOM 118 OD2 ASP 15 -8.055 -3.007 -0.383 1.00 0.00 ATOM 119 O ASP 15 -6.722 0.606 2.443 1.00 0.00 ATOM 120 C ASP 15 -6.613 0.632 1.219 1.00 0.00 ATOM 121 N PHE 16 -7.276 1.537 0.436 1.00 0.00 ATOM 122 CA PHE 16 -8.055 2.590 1.054 1.00 0.00 ATOM 123 CB PHE 16 -7.379 3.948 0.849 1.00 0.00 ATOM 124 CG PHE 16 -6.003 4.036 1.446 1.00 0.00 ATOM 125 CD1 PHE 16 -4.883 3.754 0.683 1.00 0.00 ATOM 126 CD2 PHE 16 -5.829 4.400 2.770 1.00 0.00 ATOM 127 CE1 PHE 16 -3.616 3.835 1.231 1.00 0.00 ATOM 128 CE2 PHE 16 -4.563 4.480 3.318 1.00 0.00 ATOM 129 CZ PHE 16 -3.460 4.200 2.555 1.00 0.00 ATOM 130 O PHE 16 -9.683 2.254 -0.654 1.00 0.00 ATOM 131 C PHE 16 -9.493 2.719 0.487 1.00 0.00 ATOM 132 N LEU 17 -10.331 3.269 1.323 1.00 0.00 ATOM 133 CA LEU 17 -11.700 3.556 0.818 1.00 0.00 ATOM 134 CB LEU 17 -12.623 3.959 1.972 1.00 0.00 ATOM 135 CG LEU 17 -12.872 2.896 3.044 1.00 0.00 ATOM 136 CD1 LEU 17 -13.713 3.463 4.177 1.00 0.00 ATOM 137 CD2 LEU 17 -13.607 1.702 2.455 1.00 0.00 ATOM 138 O LEU 17 -10.633 5.432 -0.286 1.00 0.00 ATOM 139 C LEU 17 -11.587 4.699 -0.182 1.00 0.00 ATOM 140 N GLU 18 -12.706 4.866 -0.947 1.00 0.00 ATOM 141 CA GLU 18 -12.704 5.967 -1.932 1.00 0.00 ATOM 142 CB GLU 18 -13.651 5.649 -3.091 1.00 0.00 ATOM 143 CG GLU 18 -13.207 4.479 -3.953 1.00 0.00 ATOM 144 CD GLU 18 -14.193 4.164 -5.062 1.00 0.00 ATOM 145 OE1 GLU 18 -15.236 4.847 -5.140 1.00 0.00 ATOM 146 OE2 GLU 18 -13.922 3.236 -5.851 1.00 0.00 ATOM 147 O GLU 18 -13.221 8.283 -2.085 1.00 0.00 ATOM 148 C GLU 18 -13.152 7.291 -1.331 1.00 0.00 ATOM 149 N ARG 19 -13.454 7.387 -0.079 1.00 0.00 ATOM 150 CA ARG 19 -13.850 8.654 0.554 1.00 0.00 ATOM 151 CB ARG 19 -14.353 8.409 1.978 1.00 0.00 ATOM 152 CG ARG 19 -15.661 7.639 2.051 1.00 0.00 ATOM 153 CD ARG 19 -16.090 7.414 3.492 1.00 0.00 ATOM 154 NE ARG 19 -15.197 6.493 4.192 1.00 0.00 ATOM 155 CZ ARG 19 -15.242 6.256 5.498 1.00 0.00 ATOM 156 NH1 ARG 19 -14.391 5.402 6.048 1.00 0.00 ATOM 157 NH2 ARG 19 -16.140 6.876 6.253 1.00 0.00 ATOM 158 O ARG 19 -11.566 9.314 0.967 1.00 0.00 ATOM 159 C ARG 19 -12.715 9.658 0.652 1.00 0.00 ATOM 160 N LYS 20 -12.960 10.915 0.346 1.00 0.00 ATOM 161 CA LYS 20 -11.959 11.954 0.412 1.00 0.00 ATOM 162 CB LYS 20 -12.472 13.234 -0.252 1.00 0.00 ATOM 163 CG LYS 20 -12.675 13.116 -1.754 1.00 0.00 ATOM 164 CD LYS 20 -13.203 14.413 -2.344 1.00 0.00 ATOM 165 CE LYS 20 -13.339 14.318 -3.854 1.00 0.00 ATOM 166 NZ LYS 20 -13.863 15.580 -4.445 1.00 0.00 ATOM 167 O LYS 20 -12.431 12.091 2.785 1.00 0.00 ATOM 168 C LYS 20 -11.620 12.261 1.859 1.00 0.00 ATOM 169 N MET 21 -10.410 12.804 2.049 1.00 0.00 ATOM 170 CA MET 21 -10.025 13.273 3.397 1.00 0.00 ATOM 171 CB MET 21 -8.550 12.972 3.668 1.00 0.00 ATOM 172 CG MET 21 -8.065 13.424 5.036 1.00 0.00 ATOM 173 SD MET 21 -6.338 13.004 5.336 1.00 0.00 ATOM 174 CE MET 21 -6.121 13.629 7.001 1.00 0.00 ATOM 175 O MET 21 -9.654 15.517 2.660 1.00 0.00 ATOM 176 C MET 21 -10.280 14.793 3.416 1.00 0.00 ATOM 177 N PRO 22 -11.146 15.269 4.283 1.00 0.00 ATOM 178 CA PRO 22 -11.480 16.693 4.323 1.00 0.00 ATOM 179 CB PRO 22 -12.492 16.805 5.463 1.00 0.00 ATOM 180 CG PRO 22 -13.102 15.446 5.557 1.00 0.00 ATOM 181 CD PRO 22 -11.994 14.472 5.270 1.00 0.00 ATOM 182 O PRO 22 -9.438 17.169 5.430 1.00 0.00 ATOM 183 C PRO 22 -10.263 17.563 4.590 1.00 0.00 ATOM 184 N GLU 23 -10.137 18.703 3.901 1.00 0.00 ATOM 185 CA GLU 23 -8.960 19.553 4.071 1.00 0.00 ATOM 186 CB GLU 23 -9.021 20.749 3.119 1.00 0.00 ATOM 187 CG GLU 23 -8.816 20.389 1.657 1.00 0.00 ATOM 188 CD GLU 23 -9.004 21.577 0.733 1.00 0.00 ATOM 189 OE1 GLU 23 -9.368 22.664 1.229 1.00 0.00 ATOM 190 OE2 GLU 23 -8.788 21.420 -0.487 1.00 0.00 ATOM 191 O GLU 23 -7.758 20.169 6.012 1.00 0.00 ATOM 192 C GLU 23 -8.895 20.069 5.495 1.00 0.00 ATOM 193 N ARG 24 -9.987 20.385 6.155 1.00 0.00 ATOM 194 CA ARG 24 -9.963 20.855 7.543 1.00 0.00 ATOM 195 CB ARG 24 -11.382 21.139 8.037 1.00 0.00 ATOM 196 CG ARG 24 -12.024 22.366 7.412 1.00 0.00 ATOM 197 CD ARG 24 -13.456 22.545 7.891 1.00 0.00 ATOM 198 NE ARG 24 -14.097 23.707 7.277 1.00 0.00 ATOM 199 CZ ARG 24 -15.367 24.045 7.467 1.00 0.00 ATOM 200 NH1 ARG 24 -15.866 25.118 6.867 1.00 0.00 ATOM 201 NH2 ARG 24 -16.139 23.311 8.258 1.00 0.00 ATOM 202 O ARG 24 -8.620 20.232 9.460 1.00 0.00 ATOM 203 C ARG 24 -9.340 19.840 8.523 1.00 0.00 ATOM 204 N VAL 25 -9.610 18.564 8.319 1.00 0.00 ATOM 205 CA VAL 25 -9.068 17.494 9.149 1.00 0.00 ATOM 206 CB VAL 25 -9.744 16.145 8.844 1.00 0.00 ATOM 207 CG1 VAL 25 -9.039 15.017 9.580 1.00 0.00 ATOM 208 CG2 VAL 25 -11.202 16.168 9.282 1.00 0.00 ATOM 209 O VAL 25 -6.774 17.306 9.831 1.00 0.00 ATOM 210 C VAL 25 -7.575 17.384 8.859 1.00 0.00 ATOM 211 N LYS 26 -7.153 17.379 7.613 1.00 0.00 ATOM 212 CA LYS 26 -5.727 17.310 7.301 1.00 0.00 ATOM 213 CB LYS 26 -5.506 17.368 5.789 1.00 0.00 ATOM 214 CG LYS 26 -4.048 17.256 5.370 1.00 0.00 ATOM 215 CD LYS 26 -3.908 17.241 3.857 1.00 0.00 ATOM 216 CE LYS 26 -2.448 17.160 3.438 1.00 0.00 ATOM 217 NZ LYS 26 -2.295 17.159 1.957 1.00 0.00 ATOM 218 O LYS 26 -3.837 18.346 8.417 1.00 0.00 ATOM 219 C LYS 26 -4.968 18.469 7.934 1.00 0.00 ATOM 220 N ASP 27 -5.546 19.698 7.842 1.00 0.00 ATOM 221 CA ASP 27 -4.857 20.850 8.414 1.00 0.00 ATOM 222 CB ASP 27 -5.633 22.136 8.124 1.00 0.00 ATOM 223 CG ASP 27 -5.533 22.562 6.672 1.00 0.00 ATOM 224 OD1 ASP 27 -4.683 22.004 5.947 1.00 0.00 ATOM 225 OD2 ASP 27 -6.307 23.451 6.259 1.00 0.00 ATOM 226 O ASP 27 -3.597 21.027 10.398 1.00 0.00 ATOM 227 C ASP 27 -4.721 20.702 9.934 1.00 0.00 ATOM 228 N ASP 28 -5.705 20.173 10.647 1.00 0.00 ATOM 229 CA ASP 28 -5.547 20.010 12.106 1.00 0.00 ATOM 230 CB ASP 28 -6.839 19.480 12.730 1.00 0.00 ATOM 231 CG ASP 28 -7.935 20.526 12.778 1.00 0.00 ATOM 232 OD1 ASP 28 -7.631 21.716 12.551 1.00 0.00 ATOM 233 OD2 ASP 28 -9.098 20.156 13.042 1.00 0.00 ATOM 234 O ASP 28 -3.616 19.252 13.335 1.00 0.00 ATOM 235 C ASP 28 -4.417 19.021 12.397 1.00 0.00 ATOM 236 N ILE 29 -4.383 17.932 11.641 1.00 0.00 ATOM 237 CA ILE 29 -3.289 16.952 11.885 1.00 0.00 ATOM 238 CB ILE 29 -3.443 15.700 11.003 1.00 0.00 ATOM 239 CG1 ILE 29 -4.757 14.984 11.318 1.00 0.00 ATOM 240 CG2 ILE 29 -2.296 14.731 11.245 1.00 0.00 ATOM 241 CD1 ILE 29 -5.089 13.864 10.357 1.00 0.00 ATOM 242 O ILE 29 -0.955 17.341 12.376 1.00 0.00 ATOM 243 C ILE 29 -1.927 17.542 11.589 1.00 0.00 ATOM 244 N GLU 30 -4.165 15.850 -6.673 1.00 0.00 ATOM 245 CA GLU 30 -4.462 15.774 -8.139 1.00 0.00 ATOM 246 CB GLU 30 -3.567 16.740 -8.918 1.00 0.00 ATOM 247 CG GLU 30 -3.865 16.797 -10.407 1.00 0.00 ATOM 248 CD GLU 30 -2.994 17.802 -11.137 1.00 0.00 ATOM 249 OE1 GLU 30 -2.179 18.475 -10.472 1.00 0.00 ATOM 250 OE2 GLU 30 -3.128 17.916 -12.373 1.00 0.00 ATOM 251 O GLU 30 -3.129 13.818 -8.618 1.00 0.00 ATOM 252 C GLU 30 -4.226 14.384 -8.669 1.00 0.00 ATOM 253 N ASN 31 -5.208 13.773 -9.345 1.00 0.00 ATOM 254 CA ASN 31 -5.080 12.457 -9.930 1.00 0.00 ATOM 255 CB ASN 31 -6.361 12.073 -10.672 1.00 0.00 ATOM 256 CG ASN 31 -7.503 11.744 -9.731 1.00 0.00 ATOM 257 ND2 ASN 31 -8.726 11.802 -10.245 1.00 0.00 ATOM 258 OD1 ASN 31 -7.287 11.443 -8.557 1.00 0.00 ATOM 259 O ASN 31 -3.260 11.269 -10.940 1.00 0.00 ATOM 260 C ASN 31 -3.964 12.290 -10.930 1.00 0.00 ATOM 261 N LEU 32 -3.729 13.254 -11.853 1.00 0.00 ATOM 262 CA LEU 32 -2.648 13.084 -12.825 1.00 0.00 ATOM 263 CB LEU 32 -2.671 14.215 -13.855 1.00 0.00 ATOM 264 CG LEU 32 -3.850 14.223 -14.828 1.00 0.00 ATOM 265 CD1 LEU 32 -3.845 15.490 -15.670 1.00 0.00 ATOM 266 CD2 LEU 32 -3.780 13.028 -15.768 1.00 0.00 ATOM 267 O LEU 32 -0.356 12.369 -12.589 1.00 0.00 ATOM 268 C LEU 32 -1.275 13.089 -12.177 1.00 0.00 ATOM 269 N LEU 33 -1.112 13.935 -11.153 1.00 0.00 ATOM 270 CA LEU 33 0.159 14.005 -10.446 1.00 0.00 ATOM 271 CB LEU 33 0.174 15.193 -9.484 1.00 0.00 ATOM 272 CG LEU 33 0.195 16.584 -10.124 1.00 0.00 ATOM 273 CD1 LEU 33 0.027 17.665 -9.068 1.00 0.00 ATOM 274 CD2 LEU 33 1.514 16.823 -10.843 1.00 0.00 ATOM 275 O LEU 33 1.515 12.222 -9.618 1.00 0.00 ATOM 276 C LEU 33 0.378 12.701 -9.635 1.00 0.00 ATOM 277 N VAL 34 -0.680 12.184 -9.045 1.00 0.00 ATOM 278 CA VAL 34 -0.544 10.907 -8.321 1.00 0.00 ATOM 279 CB VAL 34 -1.866 10.500 -7.641 1.00 0.00 ATOM 280 CG1 VAL 34 -1.760 9.093 -7.072 1.00 0.00 ATOM 281 CG2 VAL 34 -2.194 11.454 -6.503 1.00 0.00 ATOM 282 O VAL 34 0.709 8.922 -8.947 1.00 0.00 ATOM 283 C VAL 34 -0.148 9.767 -9.250 1.00 0.00 ATOM 284 N LYS 35 -0.711 9.786 -10.476 1.00 0.00 ATOM 285 CA LYS 35 -0.324 8.757 -11.458 1.00 0.00 ATOM 286 CB LYS 35 -1.154 8.897 -12.736 1.00 0.00 ATOM 287 CG LYS 35 -2.614 8.508 -12.573 1.00 0.00 ATOM 288 CD LYS 35 -3.378 8.669 -13.877 1.00 0.00 ATOM 289 CE LYS 35 -4.842 8.302 -13.708 1.00 0.00 ATOM 290 NZ LYS 35 -5.612 8.486 -14.971 1.00 0.00 ATOM 291 O LYS 35 1.869 7.865 -11.953 1.00 0.00 ATOM 292 C LYS 35 1.129 8.850 -11.856 1.00 0.00 ATOM 293 N PHE 36 1.652 10.064 -12.026 1.00 0.00 ATOM 294 CA PHE 36 3.051 10.301 -12.323 1.00 0.00 ATOM 295 CB PHE 36 3.301 11.789 -12.577 1.00 0.00 ATOM 296 CG PHE 36 2.691 12.297 -13.851 1.00 0.00 ATOM 297 CD1 PHE 36 2.261 11.416 -14.828 1.00 0.00 ATOM 298 CD2 PHE 36 2.548 13.656 -14.074 1.00 0.00 ATOM 299 CE1 PHE 36 1.699 11.885 -16.002 1.00 0.00 ATOM 300 CE2 PHE 36 1.987 14.123 -15.247 1.00 0.00 ATOM 301 CZ PHE 36 1.564 13.244 -16.209 1.00 0.00 ATOM 302 O PHE 36 4.994 9.273 -11.366 1.00 0.00 ATOM 303 C PHE 36 3.943 9.864 -11.169 1.00 0.00 ATOM 304 N ILE 37 3.520 10.147 -9.914 1.00 0.00 ATOM 305 CA ILE 37 4.296 9.682 -8.759 1.00 0.00 ATOM 306 CB ILE 37 3.757 10.270 -7.442 1.00 0.00 ATOM 307 CG1 ILE 37 4.008 11.778 -7.390 1.00 0.00 ATOM 308 CG2 ILE 37 4.445 9.625 -6.249 1.00 0.00 ATOM 309 CD1 ILE 37 3.285 12.478 -6.260 1.00 0.00 ATOM 310 O ILE 37 5.265 7.588 -8.146 1.00 0.00 ATOM 311 C ILE 37 4.266 8.161 -8.611 1.00 0.00 ATOM 312 N THR 38 3.200 7.502 -9.029 1.00 0.00 ATOM 313 CA THR 38 3.151 6.024 -8.971 1.00 0.00 ATOM 314 CB THR 38 1.798 5.485 -9.472 1.00 0.00 ATOM 315 CG2 THR 38 1.787 3.964 -9.439 1.00 0.00 ATOM 316 OG1 THR 38 0.745 5.975 -8.631 1.00 0.00 ATOM 317 O THR 38 4.989 4.503 -9.451 1.00 0.00 ATOM 318 C THR 38 4.244 5.420 -9.840 1.00 0.00 ATOM 319 N LYS 39 4.437 5.986 -11.049 1.00 0.00 ATOM 320 CA LYS 39 5.537 5.530 -11.898 1.00 0.00 ATOM 321 CB LYS 39 5.496 6.238 -13.253 1.00 0.00 ATOM 322 CG LYS 39 4.338 5.809 -14.141 1.00 0.00 ATOM 323 CD LYS 39 4.359 6.548 -15.470 1.00 0.00 ATOM 324 CE LYS 39 3.188 6.140 -16.348 1.00 0.00 ATOM 325 NZ LYS 39 3.178 6.879 -17.640 1.00 0.00 ATOM 326 O LYS 39 7.770 4.953 -11.323 1.00 0.00 ATOM 327 C LYS 39 6.892 5.809 -11.276 1.00 0.00 ATOM 328 N LYS 40 7.084 6.965 -10.609 1.00 0.00 ATOM 329 CA LYS 40 8.319 7.277 -9.947 1.00 0.00 ATOM 330 CB LYS 40 8.298 8.715 -9.423 1.00 0.00 ATOM 331 CG LYS 40 8.313 9.773 -10.514 1.00 0.00 ATOM 332 CD LYS 40 8.258 11.173 -9.926 1.00 0.00 ATOM 333 CE LYS 40 8.307 12.232 -11.015 1.00 0.00 ATOM 334 NZ LYS 40 8.240 13.610 -10.454 1.00 0.00 ATOM 335 O LYS 40 9.742 6.120 -8.411 1.00 0.00 ATOM 336 C LYS 40 8.595 6.357 -8.745 1.00 0.00 ATOM 337 N LEU 41 7.531 5.794 -8.187 1.00 0.00 ATOM 338 CA LEU 41 7.647 4.875 -7.052 1.00 0.00 ATOM 339 CB LEU 41 6.513 5.111 -6.053 1.00 0.00 ATOM 340 CG LEU 41 6.427 6.511 -5.443 1.00 0.00 ATOM 341 CD1 LEU 41 5.220 6.623 -4.523 1.00 0.00 ATOM 342 CD2 LEU 41 7.675 6.821 -4.630 1.00 0.00 ATOM 343 O LEU 41 7.053 2.526 -6.837 1.00 0.00 ATOM 344 C LEU 41 7.582 3.416 -7.489 1.00 0.00 ATOM 345 N ASP 42 8.128 3.158 -8.676 1.00 0.00 ATOM 346 CA ASP 42 8.250 1.811 -9.228 1.00 0.00 ATOM 347 CB ASP 42 9.177 0.957 -8.360 1.00 0.00 ATOM 348 CG ASP 42 10.603 1.469 -8.355 1.00 0.00 ATOM 349 OD1 ASP 42 11.161 1.686 -9.451 1.00 0.00 ATOM 350 OD2 ASP 42 11.165 1.652 -7.253 1.00 0.00 ATOM 351 O ASP 42 6.923 -0.166 -9.210 1.00 0.00 ATOM 352 C ASP 42 6.957 1.055 -9.330 1.00 0.00 ATOM 353 N TRP 43 5.826 1.706 -9.569 1.00 0.00 ATOM 354 CA TRP 43 4.542 1.146 -9.758 1.00 0.00 ATOM 355 CB TRP 43 4.639 -0.157 -10.556 1.00 0.00 ATOM 356 CG TRP 43 5.174 0.028 -11.943 1.00 0.00 ATOM 357 CD1 TRP 43 6.420 -0.306 -12.392 1.00 0.00 ATOM 358 CD2 TRP 43 4.480 0.591 -13.064 1.00 0.00 ATOM 359 CE2 TRP 43 5.367 0.566 -14.157 1.00 0.00 ATOM 360 CE3 TRP 43 3.197 1.114 -13.247 1.00 0.00 ATOM 361 NE1 TRP 43 6.546 0.014 -13.723 1.00 0.00 ATOM 362 CZ2 TRP 43 5.012 1.044 -15.419 1.00 0.00 ATOM 363 CZ3 TRP 43 2.849 1.586 -14.499 1.00 0.00 ATOM 364 CH2 TRP 43 3.749 1.549 -15.568 1.00 0.00 ATOM 365 O TRP 43 2.678 0.180 -8.669 1.00 0.00 ATOM 366 C TRP 43 3.732 0.773 -8.537 1.00 0.00 ATOM 367 N LYS 44 4.140 1.271 -7.341 1.00 0.00 ATOM 368 CA LYS 44 3.376 0.910 -6.136 1.00 0.00 ATOM 369 CB LYS 44 4.023 1.516 -4.890 1.00 0.00 ATOM 370 CG LYS 44 5.439 1.028 -4.625 1.00 0.00 ATOM 371 CD LYS 44 5.445 -0.417 -4.152 1.00 0.00 ATOM 372 CE LYS 44 6.864 -0.928 -3.957 1.00 0.00 ATOM 373 NZ LYS 44 6.885 -2.290 -3.355 1.00 0.00 ATOM 374 O LYS 44 1.751 2.659 -6.302 1.00 0.00 ATOM 375 C LYS 44 1.964 1.433 -6.259 1.00 0.00 ATOM 376 N ILE 45 0.971 0.562 -6.258 1.00 0.00 ATOM 377 CA ILE 45 -0.399 0.953 -6.552 1.00 0.00 ATOM 378 CB ILE 45 -1.331 -0.271 -6.628 1.00 0.00 ATOM 379 CG1 ILE 45 -0.989 -1.127 -7.849 1.00 0.00 ATOM 380 CG2 ILE 45 -2.782 0.172 -6.739 1.00 0.00 ATOM 381 CD1 ILE 45 -1.675 -2.476 -7.860 1.00 0.00 ATOM 382 O ILE 45 -1.901 2.717 -5.890 1.00 0.00 ATOM 383 C ILE 45 -1.062 1.881 -5.554 1.00 0.00 ATOM 384 N ASN 46 -0.655 1.789 -4.272 1.00 0.00 ATOM 385 CA ASN 46 -1.271 2.649 -3.269 1.00 0.00 ATOM 386 CB ASN 46 -0.756 2.296 -1.873 1.00 0.00 ATOM 387 CG ASN 46 0.746 2.455 -1.748 1.00 0.00 ATOM 388 ND2 ASN 46 1.288 2.066 -0.599 1.00 0.00 ATOM 389 OD1 ASN 46 1.409 2.921 -2.673 1.00 0.00 ATOM 390 O ASN 46 -1.694 4.947 -2.891 1.00 0.00 ATOM 391 C ASN 46 -0.983 4.126 -3.491 1.00 0.00 ATOM 392 N LEU 47 0.032 4.495 -4.292 1.00 0.00 ATOM 393 CA LEU 47 0.322 5.919 -4.514 1.00 0.00 ATOM 394 CB LEU 47 1.627 6.083 -5.298 1.00 0.00 ATOM 395 CG LEU 47 2.913 5.702 -4.563 1.00 0.00 ATOM 396 CD1 LEU 47 4.104 5.741 -5.508 1.00 0.00 ATOM 397 CD2 LEU 47 3.182 6.664 -3.418 1.00 0.00 ATOM 398 O LEU 47 -1.154 7.697 -5.154 1.00 0.00 ATOM 399 C LEU 47 -0.825 6.535 -5.307 1.00 0.00 ATOM 400 N SER 48 -1.345 5.729 -6.259 1.00 0.00 ATOM 401 CA SER 48 -2.444 6.265 -7.076 1.00 0.00 ATOM 402 CB SER 48 -2.515 5.541 -8.421 1.00 0.00 ATOM 403 OG SER 48 -2.847 4.175 -8.249 1.00 0.00 ATOM 404 O SER 48 -4.684 6.989 -6.543 1.00 0.00 ATOM 405 C SER 48 -3.791 6.121 -6.433 1.00 0.00 ATOM 406 N SER 49 -4.041 5.053 -5.698 1.00 0.00 ATOM 407 CA SER 49 -5.293 4.733 -5.069 1.00 0.00 ATOM 408 CB SER 49 -5.309 3.271 -4.619 1.00 0.00 ATOM 409 OG SER 49 -4.359 3.043 -3.591 1.00 0.00 ATOM 410 O SER 49 -6.787 5.771 -3.520 1.00 0.00 ATOM 411 C SER 49 -5.614 5.562 -3.832 1.00 0.00 ATOM 412 N PHE 50 -4.584 5.961 -3.068 1.00 0.00 ATOM 413 CA PHE 50 -4.889 6.751 -1.872 1.00 0.00 ATOM 414 CB PHE 50 -3.623 6.981 -1.045 1.00 0.00 ATOM 415 CG PHE 50 -3.117 5.745 -0.356 1.00 0.00 ATOM 416 CD1 PHE 50 -3.855 4.575 -0.371 1.00 0.00 ATOM 417 CD2 PHE 50 -1.901 5.753 0.305 1.00 0.00 ATOM 418 CE1 PHE 50 -3.389 3.439 0.263 1.00 0.00 ATOM 419 CE2 PHE 50 -1.435 4.617 0.939 1.00 0.00 ATOM 420 CZ PHE 50 -2.174 3.463 0.920 1.00 0.00 ATOM 421 O PHE 50 -4.992 8.688 -3.250 1.00 0.00 ATOM 422 C PHE 50 -5.468 8.118 -2.277 1.00 0.00 ATOM 423 N PRO 51 -6.364 8.646 -1.471 1.00 0.00 ATOM 424 CA PRO 51 -6.885 9.984 -1.736 1.00 0.00 ATOM 425 CB PRO 51 -7.991 10.165 -0.695 1.00 0.00 ATOM 426 CG PRO 51 -7.636 9.208 0.396 1.00 0.00 ATOM 427 CD PRO 51 -6.990 8.029 -0.277 1.00 0.00 ATOM 428 O PRO 51 -5.947 12.114 -2.276 1.00 0.00 ATOM 429 C PRO 51 -5.855 11.063 -1.596 1.00 0.00 ATOM 430 N SER 52 -4.813 10.925 -0.753 1.00 0.00 ATOM 431 CA SER 52 -3.824 11.942 -0.486 1.00 0.00 ATOM 432 CB SER 52 -4.092 12.607 0.867 1.00 0.00 ATOM 433 OG SER 52 -5.329 13.301 0.857 1.00 0.00 ATOM 434 O SER 52 -2.295 10.231 0.083 1.00 0.00 ATOM 435 C SER 52 -2.429 11.327 -0.454 1.00 0.00 ATOM 436 N TYR 53 -1.468 11.937 -1.110 1.00 0.00 ATOM 437 CA TYR 53 -0.066 11.539 -0.993 1.00 0.00 ATOM 438 CB TYR 53 0.488 11.118 -2.356 1.00 0.00 ATOM 439 CG TYR 53 1.949 10.733 -2.333 1.00 0.00 ATOM 440 CD1 TYR 53 2.357 9.519 -1.793 1.00 0.00 ATOM 441 CD2 TYR 53 2.917 11.585 -2.850 1.00 0.00 ATOM 442 CE1 TYR 53 3.691 9.160 -1.767 1.00 0.00 ATOM 443 CE2 TYR 53 4.255 11.241 -2.831 1.00 0.00 ATOM 444 CZ TYR 53 4.637 10.017 -2.284 1.00 0.00 ATOM 445 OH TYR 53 5.967 9.660 -2.260 1.00 0.00 ATOM 446 O TYR 53 0.582 13.876 -1.044 1.00 0.00 ATOM 447 C TYR 53 0.661 12.772 -0.464 1.00 0.00 ATOM 448 N ILE 54 1.399 12.634 0.626 1.00 0.00 ATOM 449 CA ILE 54 2.252 13.708 1.110 1.00 0.00 ATOM 450 CB ILE 54 2.247 13.782 2.648 1.00 0.00 ATOM 451 CG1 ILE 54 0.837 14.077 3.163 1.00 0.00 ATOM 452 CG2 ILE 54 3.177 14.886 3.130 1.00 0.00 ATOM 453 CD1 ILE 54 0.691 13.928 4.662 1.00 0.00 ATOM 454 O ILE 54 4.182 12.364 0.698 1.00 0.00 ATOM 455 C ILE 54 3.678 13.493 0.660 1.00 0.00 ATOM 456 N TYR 55 4.322 14.518 0.133 1.00 0.00 ATOM 457 CA TYR 55 5.729 14.464 -0.215 1.00 0.00 ATOM 458 CB TYR 55 5.969 15.118 -1.577 1.00 0.00 ATOM 459 CG TYR 55 7.399 15.024 -2.058 1.00 0.00 ATOM 460 CD1 TYR 55 7.893 13.842 -2.594 1.00 0.00 ATOM 461 CD2 TYR 55 8.250 16.119 -1.977 1.00 0.00 ATOM 462 CE1 TYR 55 9.199 13.747 -3.037 1.00 0.00 ATOM 463 CE2 TYR 55 9.560 16.043 -2.414 1.00 0.00 ATOM 464 CZ TYR 55 10.029 14.844 -2.948 1.00 0.00 ATOM 465 OH TYR 55 11.329 14.752 -3.387 1.00 0.00 ATOM 466 O TYR 55 6.282 16.424 1.001 1.00 0.00 ATOM 467 C TYR 55 6.476 15.212 0.864 1.00 0.00 ATOM 468 N ALA 56 7.307 14.559 1.683 1.00 0.00 ATOM 469 CA ALA 56 8.116 15.200 2.714 1.00 0.00 ATOM 470 CB ALA 56 8.250 14.289 3.924 1.00 0.00 ATOM 471 O ALA 56 10.202 14.514 1.859 1.00 0.00 ATOM 472 C ALA 56 9.486 15.493 2.170 1.00 0.00 ATOM 473 N LYS 57 9.833 16.772 1.994 1.00 0.00 ATOM 474 CA LYS 57 11.182 17.040 1.463 1.00 0.00 ATOM 475 CB LYS 57 11.096 17.815 0.146 1.00 0.00 ATOM 476 CG LYS 57 10.347 19.133 0.249 1.00 0.00 ATOM 477 CD LYS 57 10.333 19.866 -1.081 1.00 0.00 ATOM 478 CE LYS 57 9.602 21.194 -0.972 1.00 0.00 ATOM 479 NZ LYS 57 9.562 21.915 -2.275 1.00 0.00 ATOM 480 O LYS 57 11.355 18.413 3.436 1.00 0.00 ATOM 481 C LYS 57 11.974 17.871 2.478 1.00 0.00 ATOM 482 N ALA 58 13.297 17.939 2.379 1.00 0.00 ATOM 483 CA ALA 58 14.064 18.734 3.342 1.00 0.00 ATOM 484 CB ALA 58 15.006 17.843 4.136 1.00 0.00 ATOM 485 O ALA 58 15.567 19.395 1.639 1.00 0.00 ATOM 486 C ALA 58 14.889 19.789 2.587 1.00 0.00 ATOM 487 N GLU 59 14.802 21.032 3.025 1.00 0.00 ATOM 488 CA GLU 59 15.514 22.104 2.247 1.00 0.00 ATOM 489 CB GLU 59 14.508 23.013 1.541 1.00 0.00 ATOM 490 CG GLU 59 13.641 22.301 0.514 1.00 0.00 ATOM 491 CD GLU 59 12.584 23.208 -0.085 1.00 0.00 ATOM 492 OE1 GLU 59 12.503 24.382 0.332 1.00 0.00 ATOM 493 OE2 GLU 59 11.837 22.744 -0.972 1.00 0.00 ATOM 494 O GLU 59 15.887 23.932 3.767 1.00 0.00 ATOM 495 C GLU 59 16.351 22.929 3.221 1.00 0.00 ATOM 499 N HIS 61 22.341 17.218 3.094 1.00 0.00 ATOM 500 CA HIS 61 21.072 16.535 2.820 1.00 0.00 ATOM 501 CB HIS 61 21.116 15.854 1.450 1.00 0.00 ATOM 502 CG HIS 61 21.068 16.811 0.299 1.00 0.00 ATOM 503 CD2 HIS 61 21.970 17.176 -0.785 1.00 0.00 ATOM 504 ND1 HIS 61 19.986 17.625 0.051 1.00 0.00 ATOM 505 CE1 HIS 61 20.235 18.367 -1.043 1.00 0.00 ATOM 506 NE2 HIS 61 21.424 18.102 -1.550 1.00 0.00 ATOM 507 O HIS 61 19.648 15.323 4.276 1.00 0.00 ATOM 508 C HIS 61 20.819 15.470 3.896 1.00 0.00 ATOM 509 N PHE 62 21.867 14.740 4.307 1.00 0.00 ATOM 510 CA PHE 62 21.600 13.686 5.302 1.00 0.00 ATOM 511 CB PHE 62 22.833 12.799 5.487 1.00 0.00 ATOM 512 CG PHE 62 23.065 11.840 4.356 1.00 0.00 ATOM 513 CD1 PHE 62 24.038 12.091 3.403 1.00 0.00 ATOM 514 CD2 PHE 62 22.311 10.684 4.245 1.00 0.00 ATOM 515 CE1 PHE 62 24.251 11.208 2.362 1.00 0.00 ATOM 516 CE2 PHE 62 22.524 9.800 3.203 1.00 0.00 ATOM 517 CZ PHE 62 23.489 10.058 2.265 1.00 0.00 ATOM 518 O PHE 62 20.360 13.711 7.336 1.00 0.00 ATOM 519 C PHE 62 21.241 14.276 6.653 1.00 0.00 ATOM 520 N ASP 63 21.818 15.419 7.009 1.00 0.00 ATOM 521 CA ASP 63 21.488 16.057 8.286 1.00 0.00 ATOM 522 CB ASP 63 22.403 17.258 8.537 1.00 0.00 ATOM 523 CG ASP 63 23.822 16.847 8.880 1.00 0.00 ATOM 524 OD1 ASP 63 24.042 15.652 9.165 1.00 0.00 ATOM 525 OD2 ASP 63 24.714 17.722 8.864 1.00 0.00 ATOM 526 O ASP 63 19.216 16.306 9.229 1.00 0.00 ATOM 527 C ASP 63 20.045 16.545 8.285 1.00 0.00 ATOM 528 N GLU 64 19.632 17.243 7.210 1.00 0.00 ATOM 529 CA GLU 64 18.244 17.738 7.139 1.00 0.00 ATOM 530 CB GLU 64 18.061 18.647 5.921 1.00 0.00 ATOM 531 CG GLU 64 18.774 19.985 6.032 1.00 0.00 ATOM 532 CD GLU 64 18.647 20.819 4.773 1.00 0.00 ATOM 533 OE1 GLU 64 18.054 20.324 3.790 1.00 0.00 ATOM 534 OE2 GLU 64 19.139 21.967 4.768 1.00 0.00 ATOM 535 O GLU 64 16.113 16.788 7.561 1.00 0.00 ATOM 536 C GLU 64 17.224 16.630 7.021 1.00 0.00 ATOM 537 N LEU 65 17.569 15.535 6.341 1.00 0.00 ATOM 538 CA LEU 65 16.690 14.369 6.298 1.00 0.00 ATOM 539 CB LEU 65 17.267 13.297 5.372 1.00 0.00 ATOM 540 CG LEU 65 17.266 13.623 3.876 1.00 0.00 ATOM 541 CD1 LEU 65 18.025 12.560 3.096 1.00 0.00 ATOM 542 CD2 LEU 65 15.843 13.681 3.339 1.00 0.00 ATOM 543 O LEU 65 15.360 13.388 8.047 1.00 0.00 ATOM 544 C LEU 65 16.507 13.739 7.676 1.00 0.00 ATOM 545 N VAL 66 17.595 13.654 8.455 1.00 0.00 ATOM 546 CA VAL 66 17.482 13.086 9.815 1.00 0.00 ATOM 547 CB VAL 66 18.828 13.131 10.561 1.00 0.00 ATOM 548 CG1 VAL 66 18.646 12.729 12.016 1.00 0.00 ATOM 549 CG2 VAL 66 19.824 12.177 9.919 1.00 0.00 ATOM 550 O VAL 66 15.605 13.262 11.323 1.00 0.00 ATOM 551 C VAL 66 16.480 13.838 10.659 1.00 0.00 ATOM 552 N GLU 67 16.575 15.204 10.635 1.00 0.00 ATOM 553 CA GLU 67 15.622 15.955 11.454 1.00 0.00 ATOM 554 CB GLU 67 15.946 17.450 11.418 1.00 0.00 ATOM 555 CG GLU 67 17.223 17.826 12.152 1.00 0.00 ATOM 556 CD GLU 67 17.560 19.299 12.017 1.00 0.00 ATOM 557 OE1 GLU 67 16.829 20.012 11.298 1.00 0.00 ATOM 558 OE2 GLU 67 18.555 19.739 12.630 1.00 0.00 ATOM 559 O GLU 67 13.230 15.749 11.734 1.00 0.00 ATOM 560 C GLU 67 14.193 15.767 10.949 1.00 0.00 ATOM 561 N TYR 68 14.001 15.643 9.615 1.00 0.00 ATOM 562 CA TYR 68 12.695 15.453 9.037 1.00 0.00 ATOM 563 CB TYR 68 12.779 15.451 7.510 1.00 0.00 ATOM 564 CG TYR 68 11.442 15.295 6.822 1.00 0.00 ATOM 565 CD1 TYR 68 10.549 16.358 6.756 1.00 0.00 ATOM 566 CD2 TYR 68 11.076 14.087 6.243 1.00 0.00 ATOM 567 CE1 TYR 68 9.324 16.225 6.129 1.00 0.00 ATOM 568 CE2 TYR 68 9.855 13.937 5.612 1.00 0.00 ATOM 569 CZ TYR 68 8.977 15.019 5.560 1.00 0.00 ATOM 570 OH TYR 68 7.759 14.885 4.935 1.00 0.00 ATOM 571 O TYR 68 10.816 14.033 9.532 1.00 0.00 ATOM 572 C TYR 68 12.060 14.112 9.473 1.00 0.00 ATOM 573 N GLY 69 12.879 13.106 9.805 1.00 0.00 ATOM 574 CA GLY 69 12.302 11.840 10.278 1.00 0.00 ATOM 575 O GLY 69 10.842 11.183 12.007 1.00 0.00 ATOM 576 C GLY 69 11.748 12.004 11.694 1.00 0.00 ATOM 577 N PHE 70 12.150 13.005 12.505 1.00 0.00 ATOM 578 CA PHE 70 11.440 13.199 13.801 1.00 0.00 ATOM 579 CB PHE 70 12.121 14.296 14.625 1.00 0.00 ATOM 580 CG PHE 70 11.447 14.571 15.940 1.00 0.00 ATOM 581 CD1 PHE 70 11.639 13.731 17.022 1.00 0.00 ATOM 582 CD2 PHE 70 10.621 15.671 16.093 1.00 0.00 ATOM 583 CE1 PHE 70 11.019 13.984 18.231 1.00 0.00 ATOM 584 CE2 PHE 70 10.002 15.925 17.302 1.00 0.00 ATOM 585 CZ PHE 70 10.198 15.087 18.367 1.00 0.00 ATOM 586 O PHE 70 9.027 13.126 14.080 1.00 0.00 ATOM 587 C PHE 70 9.991 13.607 13.472 1.00 0.00 ATOM 588 N GLN 71 9.840 14.553 12.533 1.00 0.00 ATOM 589 CA GLN 71 8.461 14.924 12.121 1.00 0.00 ATOM 590 CB GLN 71 8.498 15.999 11.034 1.00 0.00 ATOM 591 CG GLN 71 8.953 17.364 11.523 1.00 0.00 ATOM 592 CD GLN 71 9.085 18.372 10.399 1.00 0.00 ATOM 593 OE1 GLN 71 8.925 18.033 9.226 1.00 0.00 ATOM 594 NE2 GLN 71 9.381 19.616 10.754 1.00 0.00 ATOM 595 O GLN 71 6.492 13.570 11.853 1.00 0.00 ATOM 596 C GLN 71 7.699 13.732 11.571 1.00 0.00 ATOM 597 N GLY 72 8.365 12.842 10.801 1.00 0.00 ATOM 598 CA GLY 72 7.670 11.646 10.280 1.00 0.00 ATOM 599 O GLY 72 5.994 10.316 11.382 1.00 0.00 ATOM 600 C GLY 72 7.136 10.791 11.429 1.00 0.00 ATOM 601 N GLU 73 7.916 10.601 12.502 1.00 0.00 ATOM 602 CA GLU 73 7.447 9.836 13.679 1.00 0.00 ATOM 603 CB GLU 73 8.530 9.797 14.758 1.00 0.00 ATOM 604 CG GLU 73 8.150 8.990 15.990 1.00 0.00 ATOM 605 CD GLU 73 9.259 8.944 17.022 1.00 0.00 ATOM 606 OE1 GLU 73 10.331 9.534 16.768 1.00 0.00 ATOM 607 OE2 GLU 73 9.056 8.321 18.085 1.00 0.00 ATOM 608 O GLU 73 5.227 9.770 14.603 1.00 0.00 ATOM 609 C GLU 73 6.193 10.450 14.306 1.00 0.00 ATOM 610 N GLN 74 6.214 11.797 14.500 1.00 0.00 ATOM 611 CA GLN 74 5.012 12.450 15.008 1.00 0.00 ATOM 612 CB GLN 74 5.238 13.956 15.148 1.00 0.00 ATOM 613 CG GLN 74 6.183 14.339 16.276 1.00 0.00 ATOM 614 CD GLN 74 6.489 15.824 16.301 1.00 0.00 ATOM 615 OE1 GLN 74 6.055 16.572 15.424 1.00 0.00 ATOM 616 NE2 GLN 74 7.238 16.256 17.310 1.00 0.00 ATOM 617 O GLN 74 2.741 11.925 14.538 1.00 0.00 ATOM 618 C GLN 74 3.852 12.212 14.043 1.00 0.00 ATOM 619 N ILE 75 4.063 12.451 12.747 1.00 0.00 ATOM 620 CA ILE 75 2.914 12.349 11.813 1.00 0.00 ATOM 621 CB ILE 75 3.320 12.728 10.376 1.00 0.00 ATOM 622 CG1 ILE 75 3.657 14.219 10.294 1.00 0.00 ATOM 623 CG2 ILE 75 2.184 12.436 9.408 1.00 0.00 ATOM 624 CD1 ILE 75 4.316 14.624 8.993 1.00 0.00 ATOM 625 O ILE 75 1.127 10.849 11.752 1.00 0.00 ATOM 626 C ILE 75 2.367 10.945 11.775 1.00 0.00 ATOM 627 N VAL 76 3.202 9.875 11.810 1.00 0.00 ATOM 628 CA VAL 76 2.571 8.549 11.709 1.00 0.00 ATOM 629 CB VAL 76 3.622 7.433 11.562 1.00 0.00 ATOM 630 CG1 VAL 76 2.963 6.065 11.651 1.00 0.00 ATOM 631 CG2 VAL 76 4.328 7.539 10.220 1.00 0.00 ATOM 632 O VAL 76 0.682 7.555 12.853 1.00 0.00 ATOM 633 C VAL 76 1.741 8.242 12.957 1.00 0.00 ATOM 634 N LEU 77 2.215 8.680 14.139 1.00 0.00 ATOM 635 CA LEU 77 1.426 8.369 15.345 1.00 0.00 ATOM 636 CB LEU 77 2.212 8.734 16.607 1.00 0.00 ATOM 637 CG LEU 77 1.525 8.439 17.942 1.00 0.00 ATOM 638 CD1 LEU 77 1.237 6.951 18.081 1.00 0.00 ATOM 639 CD2 LEU 77 2.408 8.862 19.106 1.00 0.00 ATOM 640 O LEU 77 -0.915 8.635 15.689 1.00 0.00 ATOM 641 C LEU 77 0.136 9.173 15.307 1.00 0.00 ATOM 642 N PHE 78 0.167 10.461 14.909 1.00 0.00 ATOM 643 CA PHE 78 -1.041 11.259 14.878 1.00 0.00 ATOM 644 CB PHE 78 -0.715 12.712 14.528 1.00 0.00 ATOM 645 CG PHE 78 0.058 13.433 15.594 1.00 0.00 ATOM 646 CD1 PHE 78 0.111 12.938 16.886 1.00 0.00 ATOM 647 CD2 PHE 78 0.732 14.607 15.306 1.00 0.00 ATOM 648 CE1 PHE 78 0.822 13.603 17.868 1.00 0.00 ATOM 649 CE2 PHE 78 1.444 15.271 16.290 1.00 0.00 ATOM 650 CZ PHE 78 1.491 14.774 17.564 1.00 0.00 ATOM 651 O PHE 78 -3.273 10.758 14.104 1.00 0.00 ATOM 652 C PHE 78 -2.033 10.727 13.829 1.00 0.00 ATOM 653 N LEU 79 -1.576 10.250 12.682 1.00 0.00 ATOM 654 CA LEU 79 -2.539 9.721 11.689 1.00 0.00 ATOM 655 CB LEU 79 -1.810 9.261 10.425 1.00 0.00 ATOM 656 CG LEU 79 -1.192 10.362 9.561 1.00 0.00 ATOM 657 CD1 LEU 79 -0.348 9.761 8.446 1.00 0.00 ATOM 658 CD2 LEU 79 -2.276 11.219 8.928 1.00 0.00 ATOM 659 O LEU 79 -4.530 8.443 12.163 1.00 0.00 ATOM 660 C LEU 79 -3.293 8.530 12.287 1.00 0.00 ATOM 661 N THR 80 -2.589 7.630 12.973 1.00 0.00 ATOM 662 CA THR 80 -3.292 6.523 13.652 1.00 0.00 ATOM 663 CB THR 80 -2.306 5.586 14.374 1.00 0.00 ATOM 664 CG2 THR 80 -3.055 4.478 15.096 1.00 0.00 ATOM 665 OG1 THR 80 -1.416 4.997 13.417 1.00 0.00 ATOM 666 O THR 80 -5.396 6.479 14.805 1.00 0.00 ATOM 667 C THR 80 -4.277 6.993 14.699 1.00 0.00 ATOM 668 N ALA 81 -3.915 7.979 15.507 1.00 0.00 ATOM 669 CA ALA 81 -4.751 8.467 16.590 1.00 0.00 ATOM 670 CB ALA 81 -4.011 9.523 17.397 1.00 0.00 ATOM 671 O ALA 81 -7.065 9.038 16.764 1.00 0.00 ATOM 672 C ALA 81 -6.048 9.097 16.037 1.00 0.00 ATOM 673 N GLN 82 -6.006 9.598 14.796 1.00 0.00 ATOM 674 CA GLN 82 -7.213 10.164 14.207 1.00 0.00 ATOM 675 CB GLN 82 -6.863 11.342 13.295 1.00 0.00 ATOM 676 CG GLN 82 -6.170 12.492 14.008 1.00 0.00 ATOM 677 CD GLN 82 -7.020 13.089 15.113 1.00 0.00 ATOM 678 OE1 GLN 82 -8.202 13.367 14.919 1.00 0.00 ATOM 679 NE2 GLN 82 -6.415 13.288 16.279 1.00 0.00 ATOM 680 O GLN 82 -9.015 9.494 12.732 1.00 0.00 ATOM 681 C GLN 82 -7.963 9.145 13.376 1.00 0.00 ATOM 682 N GLY 83 -7.542 7.897 13.283 1.00 0.00 ATOM 683 CA GLY 83 -8.288 6.872 12.549 1.00 0.00 ATOM 684 O GLY 83 -8.739 6.101 10.324 1.00 0.00 ATOM 685 C GLY 83 -8.003 6.814 11.072 1.00 0.00 ATOM 686 N PHE 84 -6.894 7.350 10.587 1.00 0.00 ATOM 687 CA PHE 84 -6.501 7.257 9.198 1.00 0.00 ATOM 688 CB PHE 84 -5.935 8.593 8.712 1.00 0.00 ATOM 689 CG PHE 84 -6.952 9.697 8.654 1.00 0.00 ATOM 690 CD1 PHE 84 -7.083 10.591 9.702 1.00 0.00 ATOM 691 CD2 PHE 84 -7.776 9.841 7.551 1.00 0.00 ATOM 692 CE1 PHE 84 -8.019 11.608 9.648 1.00 0.00 ATOM 693 CE2 PHE 84 -8.712 10.857 7.500 1.00 0.00 ATOM 694 CZ PHE 84 -8.835 11.738 8.541 1.00 0.00 ATOM 695 O PHE 84 -4.714 5.864 10.015 1.00 0.00 ATOM 696 C PHE 84 -5.424 6.178 9.024 1.00 0.00 ATOM 697 N GLY 85 -5.348 5.544 7.892 1.00 0.00 ATOM 698 CA GLY 85 -4.265 4.586 7.593 1.00 0.00 ATOM 699 O GLY 85 -3.453 6.237 6.065 1.00 0.00 ATOM 700 C GLY 85 -3.176 5.226 6.782 1.00 0.00 ATOM 701 N THR 86 -1.940 4.712 6.805 1.00 0.00 ATOM 702 CA THR 86 -0.865 5.323 6.027 1.00 0.00 ATOM 703 CB THR 86 -0.196 6.476 6.798 1.00 0.00 ATOM 704 CG2 THR 86 0.544 5.944 8.015 1.00 0.00 ATOM 705 OG1 THR 86 0.740 7.145 5.942 1.00 0.00 ATOM 706 O THR 86 0.306 3.212 6.348 1.00 0.00 ATOM 707 C THR 86 0.206 4.282 5.705 1.00 0.00 ATOM 708 N CYS 87 1.007 4.615 4.711 1.00 0.00 ATOM 709 CA CYS 87 2.219 3.848 4.430 1.00 0.00 ATOM 710 CB CYS 87 1.983 2.879 3.271 1.00 0.00 ATOM 711 SG CYS 87 3.411 1.852 2.853 1.00 0.00 ATOM 712 O CYS 87 3.234 5.547 3.049 1.00 0.00 ATOM 713 C CYS 87 3.310 4.825 4.066 1.00 0.00 ATOM 714 N TRP 88 4.413 4.900 4.828 1.00 0.00 ATOM 715 CA TRP 88 5.567 5.688 4.417 1.00 0.00 ATOM 716 CB TRP 88 6.416 6.066 5.631 1.00 0.00 ATOM 717 CG TRP 88 7.646 6.846 5.283 1.00 0.00 ATOM 718 CD1 TRP 88 7.742 8.200 5.127 1.00 0.00 ATOM 719 CD2 TRP 88 8.960 6.321 5.047 1.00 0.00 ATOM 720 CE2 TRP 88 9.799 7.413 4.753 1.00 0.00 ATOM 721 CE3 TRP 88 9.505 5.034 5.054 1.00 0.00 ATOM 722 NE1 TRP 88 9.032 8.551 4.808 1.00 0.00 ATOM 723 CZ2 TRP 88 11.155 7.258 4.470 1.00 0.00 ATOM 724 CZ3 TRP 88 10.850 4.885 4.773 1.00 0.00 ATOM 725 CH2 TRP 88 11.662 5.987 4.486 1.00 0.00 ATOM 726 O TRP 88 6.435 3.676 3.481 1.00 0.00 ATOM 727 C TRP 88 6.442 4.891 3.441 1.00 0.00 ATOM 728 N MET 89 7.054 5.648 2.505 1.00 0.00 ATOM 729 CA MET 89 7.809 4.989 1.418 1.00 0.00 ATOM 730 CB MET 89 7.016 5.041 0.109 1.00 0.00 ATOM 731 CG MET 89 7.688 4.324 -1.050 1.00 0.00 ATOM 732 SD MET 89 6.697 4.356 -2.557 1.00 0.00 ATOM 733 CE MET 89 5.366 3.245 -2.109 1.00 0.00 ATOM 734 O MET 89 9.308 6.854 1.102 1.00 0.00 ATOM 735 C MET 89 9.157 5.628 1.140 1.00 0.00 ATOM 736 N ALA 90 10.154 4.780 0.864 1.00 0.00 ATOM 737 CA ALA 90 11.451 5.172 0.332 1.00 0.00 ATOM 738 CB ALA 90 12.562 4.759 1.286 1.00 0.00 ATOM 739 O ALA 90 12.692 4.831 -1.677 1.00 0.00 ATOM 740 C ALA 90 11.676 4.486 -1.027 1.00 0.00 ATOM 741 N ARG 91 10.752 3.666 -1.460 1.00 0.00 ATOM 742 CA ARG 91 10.963 2.971 -2.761 1.00 0.00 ATOM 743 CB ARG 91 10.147 1.678 -2.816 1.00 0.00 ATOM 744 CG ARG 91 10.537 0.653 -1.765 1.00 0.00 ATOM 745 CD ARG 91 9.693 -0.607 -1.882 1.00 0.00 ATOM 746 NE ARG 91 10.071 -1.614 -0.891 1.00 0.00 ATOM 747 CZ ARG 91 9.504 -2.810 -0.790 1.00 0.00 ATOM 748 NH1 ARG 91 9.914 -3.661 0.140 1.00 0.00 ATOM 749 NH2 ARG 91 8.530 -3.157 -1.621 1.00 0.00 ATOM 750 O ARG 91 9.456 3.616 -4.489 1.00 0.00 ATOM 751 C ARG 91 10.540 3.843 -3.933 1.00 0.00 ATOM 755 N PRO 93 11.356 4.836 -4.288 1.00 0.00 ATOM 756 CA PRO 93 11.024 5.740 -5.398 1.00 0.00 ATOM 757 CB PRO 93 10.064 6.754 -4.774 1.00 0.00 ATOM 758 CG PRO 93 10.435 6.783 -3.330 1.00 0.00 ATOM 759 CD PRO 93 10.848 5.380 -2.979 1.00 0.00 ATOM 760 O PRO 93 13.367 6.359 -5.214 1.00 0.00 ATOM 761 C PRO 93 12.317 6.378 -5.889 1.00 0.00 ATOM 762 N HIS 94 12.274 6.918 -7.115 1.00 0.00 ATOM 763 CA HIS 94 13.430 7.613 -7.720 1.00 0.00 ATOM 764 CB HIS 94 13.453 7.397 -9.235 1.00 0.00 ATOM 765 CG HIS 94 13.540 5.957 -9.638 1.00 0.00 ATOM 766 CD2 HIS 94 12.598 4.951 -10.109 1.00 0.00 ATOM 767 ND1 HIS 94 14.722 5.250 -9.621 1.00 0.00 ATOM 768 CE1 HIS 94 14.486 3.991 -10.032 1.00 0.00 ATOM 769 NE2 HIS 94 13.214 3.806 -10.326 1.00 0.00 ATOM 770 O HIS 94 12.378 9.761 -7.858 1.00 0.00 ATOM 771 C HIS 94 13.332 9.123 -7.434 1.00 0.00 ATOM 772 N PRO 95 14.223 9.635 -6.591 1.00 0.00 ATOM 773 CA PRO 95 14.172 11.019 -6.148 1.00 0.00 ATOM 774 CB PRO 95 15.350 11.141 -5.178 1.00 0.00 ATOM 775 CG PRO 95 15.553 9.757 -4.662 1.00 0.00 ATOM 776 CD PRO 95 15.273 8.836 -5.816 1.00 0.00 ATOM 777 O PRO 95 13.665 13.079 -7.238 1.00 0.00 ATOM 778 C PRO 95 14.312 12.027 -7.287 1.00 0.00 ATOM 779 N ASP 96 15.077 11.666 -8.326 1.00 0.00 ATOM 780 CA ASP 96 15.204 12.611 -9.467 1.00 0.00 ATOM 781 CB ASP 96 16.218 12.088 -10.487 1.00 0.00 ATOM 782 CG ASP 96 16.599 13.132 -11.518 1.00 0.00 ATOM 783 OD1 ASP 96 16.240 14.314 -11.326 1.00 0.00 ATOM 784 OD2 ASP 96 17.258 12.771 -12.514 1.00 0.00 ATOM 785 O ASP 96 13.497 13.919 -10.528 1.00 0.00 ATOM 786 C ASP 96 13.876 12.785 -10.163 1.00 0.00 ATOM 787 N VAL 97 14.597 14.006 -0.252 1.00 0.00 ATOM 788 CA VAL 97 13.196 13.583 -0.072 1.00 0.00 ATOM 789 CB VAL 97 12.555 13.176 -1.412 1.00 0.00 ATOM 790 CG1 VAL 97 11.117 12.726 -1.198 1.00 0.00 ATOM 791 CG2 VAL 97 12.552 14.349 -2.379 1.00 0.00 ATOM 792 O VAL 97 13.235 11.238 0.484 1.00 0.00 ATOM 793 C VAL 97 13.188 12.397 0.868 1.00 0.00 ATOM 794 N PRO 98 13.025 12.598 2.190 1.00 0.00 ATOM 795 CA PRO 98 13.044 11.516 3.150 1.00 0.00 ATOM 796 CB PRO 98 12.996 12.223 4.506 1.00 0.00 ATOM 797 CG PRO 98 12.164 13.437 4.264 1.00 0.00 ATOM 798 CD PRO 98 12.565 13.955 2.910 1.00 0.00 ATOM 799 O PRO 98 12.058 9.350 3.432 1.00 0.00 ATOM 800 C PRO 98 11.902 10.531 3.060 1.00 0.00 ATOM 804 N ILE 101 4.339 9.700 1.706 1.00 0.00 ATOM 805 CA ILE 101 3.384 9.044 2.606 1.00 0.00 ATOM 806 CB ILE 101 3.245 9.809 3.935 1.00 0.00 ATOM 807 CG1 ILE 101 4.568 9.786 4.704 1.00 0.00 ATOM 808 CG2 ILE 101 2.172 9.174 4.805 1.00 0.00 ATOM 809 CD1 ILE 101 4.588 10.697 5.912 1.00 0.00 ATOM 810 O ILE 101 1.352 10.032 1.785 1.00 0.00 ATOM 811 C ILE 101 2.008 8.979 1.945 1.00 0.00 ATOM 812 N VAL 102 1.535 7.759 1.655 1.00 0.00 ATOM 813 CA VAL 102 0.154 7.637 1.126 1.00 0.00 ATOM 814 CB VAL 102 0.008 6.412 0.203 1.00 0.00 ATOM 815 CG1 VAL 102 0.940 6.533 -0.992 1.00 0.00 ATOM 816 CG2 VAL 102 0.354 5.135 0.954 1.00 0.00 ATOM 817 O VAL 102 -0.407 6.876 3.294 1.00 0.00 ATOM 818 C VAL 102 -0.795 7.487 2.282 1.00 0.00 ATOM 819 N PHE 103 -1.959 8.126 2.320 1.00 0.00 ATOM 820 CA PHE 103 -2.895 8.025 3.439 1.00 0.00 ATOM 821 CB PHE 103 -2.659 9.160 4.438 1.00 0.00 ATOM 822 CG PHE 103 -2.917 10.527 3.875 1.00 0.00 ATOM 823 CD1 PHE 103 -4.158 11.125 4.008 1.00 0.00 ATOM 824 CD2 PHE 103 -1.918 11.217 3.211 1.00 0.00 ATOM 825 CE1 PHE 103 -4.394 12.384 3.489 1.00 0.00 ATOM 826 CE2 PHE 103 -2.154 12.476 2.692 1.00 0.00 ATOM 827 CZ PHE 103 -3.385 13.060 2.829 1.00 0.00 ATOM 828 O PHE 103 -4.646 8.638 1.904 1.00 0.00 ATOM 829 C PHE 103 -4.364 8.110 2.989 1.00 0.00 ATOM 830 N GLY 104 -5.218 7.614 3.864 1.00 0.00 ATOM 831 CA GLY 104 -6.690 7.650 3.567 1.00 0.00 ATOM 832 O GLY 104 -6.820 6.357 5.606 1.00 0.00 ATOM 833 C GLY 104 -7.412 6.803 4.590 1.00 0.00 ATOM 834 N TYR 105 -8.742 6.658 4.455 1.00 0.00 ATOM 835 CA TYR 105 -9.469 5.806 5.420 1.00 0.00 ATOM 836 CB TYR 105 -10.967 6.123 5.391 1.00 0.00 ATOM 837 CG TYR 105 -11.325 7.448 6.025 1.00 0.00 ATOM 838 CD1 TYR 105 -11.495 8.585 5.244 1.00 0.00 ATOM 839 CD2 TYR 105 -11.494 7.558 7.398 1.00 0.00 ATOM 840 CE1 TYR 105 -11.824 9.801 5.815 1.00 0.00 ATOM 841 CE2 TYR 105 -11.823 8.764 7.986 1.00 0.00 ATOM 842 CZ TYR 105 -11.987 9.891 7.181 1.00 0.00 ATOM 843 OH TYR 105 -12.314 11.100 7.749 1.00 0.00 ATOM 844 O TYR 105 -9.180 3.955 3.854 1.00 0.00 ATOM 845 C TYR 105 -9.233 4.375 5.016 1.00 0.00 ATOM 846 N PRO 106 -8.907 3.456 5.983 1.00 0.00 ATOM 847 CA PRO 106 -8.495 2.117 5.677 1.00 0.00 ATOM 848 CB PRO 106 -8.064 1.544 7.028 1.00 0.00 ATOM 849 CG PRO 106 -8.828 2.340 8.033 1.00 0.00 ATOM 850 CD PRO 106 -8.967 3.720 7.453 1.00 0.00 ATOM 851 O PRO 106 -10.676 1.258 5.590 1.00 0.00 ATOM 852 C PRO 106 -9.559 1.201 5.062 1.00 0.00 ATOM 853 N ARG 107 -9.103 0.359 4.160 1.00 0.00 ATOM 854 CA ARG 107 -9.998 -0.642 3.582 1.00 0.00 ATOM 855 CB ARG 107 -10.123 -0.441 2.071 1.00 0.00 ATOM 856 CG ARG 107 -10.714 0.901 1.669 1.00 0.00 ATOM 857 CD ARG 107 -12.178 0.999 2.064 1.00 0.00 ATOM 858 NE ARG 107 -12.996 -0.003 1.384 1.00 0.00 ATOM 859 CZ ARG 107 -13.478 0.134 0.153 1.00 0.00 ATOM 860 NH1 ARG 107 -14.212 -0.831 -0.383 1.00 0.00 ATOM 861 NH2 ARG 107 -13.223 1.237 -0.539 1.00 0.00 ATOM 862 O ARG 107 -9.847 -3.007 3.174 1.00 0.00 ATOM 863 C ARG 107 -9.449 -2.047 3.849 1.00 0.00 ATOM 864 N THR 108 -8.471 -2.154 4.736 1.00 0.00 ATOM 865 CA THR 108 -7.853 -3.449 5.079 1.00 0.00 ATOM 866 CB THR 108 -6.678 -3.779 4.139 1.00 0.00 ATOM 867 CG2 THR 108 -5.532 -2.802 4.356 1.00 0.00 ATOM 868 OG1 THR 108 -6.210 -5.107 4.402 1.00 0.00 ATOM 869 O THR 108 -7.233 -2.218 7.023 1.00 0.00 ATOM 870 C THR 108 -7.347 -3.337 6.521 1.00 0.00 ATOM 871 N ARG 109 -7.096 -4.457 7.194 1.00 0.00 ATOM 872 CA ARG 109 -6.519 -4.469 8.533 1.00 0.00 ATOM 873 CB ARG 109 -6.765 -5.819 9.209 1.00 0.00 ATOM 874 CG ARG 109 -8.219 -6.078 9.568 1.00 0.00 ATOM 875 CD ARG 109 -8.392 -7.439 10.223 1.00 0.00 ATOM 876 NE ARG 109 -9.781 -7.694 10.596 1.00 0.00 ATOM 877 CZ ARG 109 -10.238 -8.868 11.018 1.00 0.00 ATOM 878 NH1 ARG 109 -11.518 -9.007 11.335 1.00 0.00 ATOM 879 NH2 ARG 109 -9.413 -9.902 11.124 1.00 0.00 ATOM 880 O ARG 109 -4.506 -3.647 9.559 1.00 0.00 ATOM 881 C ARG 109 -5.004 -4.236 8.581 1.00 0.00 ATOM 882 N ASN 110 -4.278 -4.615 7.544 1.00 0.00 ATOM 883 CA ASN 110 -2.806 -4.493 7.549 1.00 0.00 ATOM 884 CB ASN 110 -2.367 -3.357 8.474 1.00 0.00 ATOM 885 CG ASN 110 -2.788 -3.580 9.913 1.00 0.00 ATOM 886 ND2 ASN 110 -3.540 -2.633 10.461 1.00 0.00 ATOM 887 OD1 ASN 110 -2.440 -4.592 10.522 1.00 0.00 ATOM 888 O ASN 110 -2.918 -6.474 8.812 1.00 0.00 ATOM 889 C ASN 110 -2.219 -5.833 8.052 1.00 0.00 ATOM 890 N PHE 111 -1.013 -6.130 7.673 1.00 0.00 ATOM 891 CA PHE 111 -0.346 -7.378 8.072 1.00 0.00 ATOM 892 CB PHE 111 0.752 -7.743 7.071 1.00 0.00 ATOM 893 CG PHE 111 0.229 -8.238 5.753 1.00 0.00 ATOM 894 CD1 PHE 111 0.163 -7.395 4.657 1.00 0.00 ATOM 895 CD2 PHE 111 -0.197 -9.547 5.608 1.00 0.00 ATOM 896 CE1 PHE 111 -0.318 -7.851 3.443 1.00 0.00 ATOM 897 CE2 PHE 111 -0.678 -10.003 4.396 1.00 0.00 ATOM 898 CZ PHE 111 -0.739 -9.160 3.317 1.00 0.00 ATOM 899 O PHE 111 0.781 -6.205 9.790 1.00 0.00 ATOM 900 C PHE 111 0.300 -7.274 9.435 1.00 0.00 ATOM 901 N THR 112 0.306 -8.347 10.210 1.00 0.00 ATOM 902 CA THR 112 0.910 -8.353 11.538 1.00 0.00 ATOM 903 CB THR 112 0.536 -9.622 12.324 1.00 0.00 ATOM 904 CG2 THR 112 1.163 -9.596 13.710 1.00 0.00 ATOM 905 OG1 THR 112 -0.890 -9.699 12.462 1.00 0.00 ATOM 906 O THR 112 2.914 -8.931 10.394 1.00 0.00 ATOM 907 C THR 112 2.408 -8.299 11.346 1.00 0.00 ATOM 908 N ARG 113 3.147 -7.460 12.076 1.00 0.00 ATOM 909 CA ARG 113 4.591 -7.462 11.935 1.00 0.00 ATOM 910 CB ARG 113 5.055 -6.227 11.157 1.00 0.00 ATOM 911 CG ARG 113 4.558 -6.177 9.722 1.00 0.00 ATOM 912 CD ARG 113 5.006 -4.900 9.028 1.00 0.00 ATOM 913 NE ARG 113 4.554 -4.845 7.640 1.00 0.00 ATOM 914 CZ ARG 113 4.781 -3.823 6.821 1.00 0.00 ATOM 915 NH1 ARG 113 4.332 -3.861 5.573 1.00 0.00 ATOM 916 NH2 ARG 113 5.459 -2.767 7.251 1.00 0.00 ATOM 917 O ARG 113 4.494 -7.101 14.316 1.00 0.00 ATOM 918 C ARG 113 5.175 -7.447 13.379 1.00 0.00 ATOM 919 N LYS 114 6.354 -8.053 13.438 1.00 0.00 ATOM 920 CA LYS 114 7.009 -8.201 14.727 1.00 0.00 ATOM 921 CB LYS 114 7.688 -9.568 14.830 1.00 0.00 ATOM 922 CG LYS 114 6.734 -10.746 14.708 1.00 0.00 ATOM 923 CD LYS 114 7.446 -12.063 14.962 1.00 0.00 ATOM 924 CE LYS 114 6.478 -13.234 14.908 1.00 0.00 ATOM 925 NZ LYS 114 7.164 -14.532 15.155 1.00 0.00 ATOM 926 O LYS 114 8.504 -6.446 13.933 1.00 0.00 ATOM 927 C LYS 114 8.066 -7.112 14.893 1.00 0.00 ATOM 928 N ARG 115 8.514 -6.969 16.147 1.00 0.00 ATOM 929 CA ARG 115 9.656 -6.108 16.478 1.00 0.00 ATOM 930 CB ARG 115 9.195 -4.894 17.289 1.00 0.00 ATOM 931 CG ARG 115 8.258 -3.965 16.536 1.00 0.00 ATOM 932 CD ARG 115 7.782 -2.824 17.421 1.00 0.00 ATOM 933 NE ARG 115 6.909 -1.900 16.701 1.00 0.00 ATOM 934 CZ ARG 115 6.351 -0.824 17.244 1.00 0.00 ATOM 935 NH1 ARG 115 5.570 -0.041 16.512 1.00 0.00 ATOM 936 NH2 ARG 115 6.573 -0.532 18.518 1.00 0.00 ATOM 937 O ARG 115 10.218 -7.972 17.896 1.00 0.00 ATOM 938 C ARG 115 10.639 -6.953 17.305 1.00 0.00 ATOM 939 N ARG 116 11.882 -6.526 17.343 1.00 0.00 ATOM 940 CA ARG 116 12.864 -7.285 18.163 1.00 0.00 ATOM 941 CB ARG 116 14.254 -6.655 18.053 1.00 0.00 ATOM 942 CG ARG 116 14.912 -6.835 16.696 1.00 0.00 ATOM 943 CD ARG 116 15.358 -8.273 16.484 1.00 0.00 ATOM 944 NE ARG 116 16.353 -8.687 17.470 1.00 0.00 ATOM 945 CZ ARG 116 17.653 -8.427 17.375 1.00 0.00 ATOM 946 NH1 ARG 116 18.483 -8.846 18.321 1.00 0.00 ATOM 947 NH2 ARG 116 18.119 -7.750 16.333 1.00 0.00 ATOM 948 O ARG 116 11.853 -6.300 20.116 1.00 0.00 ATOM 949 C ARG 116 12.429 -7.265 19.601 1.00 0.00 ATOM 950 N PRO 117 12.821 -8.300 20.382 1.00 0.00 ATOM 951 CA PRO 117 12.554 -8.301 21.804 1.00 0.00 ATOM 952 CB PRO 117 13.133 -9.632 22.288 1.00 0.00 ATOM 953 CG PRO 117 13.139 -10.500 21.074 1.00 0.00 ATOM 954 CD PRO 117 13.459 -9.598 19.917 1.00 0.00 ATOM 955 O PRO 117 14.369 -6.786 22.131 1.00 0.00 ATOM 956 C PRO 117 13.222 -7.123 22.504 1.00 0.00 ATOM 957 N ILE 118 12.586 -6.585 23.517 1.00 0.00 ATOM 958 CA ILE 118 13.123 -5.474 24.259 1.00 0.00 ATOM 959 CB ILE 118 12.281 -5.172 25.512 1.00 0.00 ATOM 960 CG1 ILE 118 10.907 -4.630 25.115 1.00 0.00 ATOM 961 CG2 ILE 118 12.974 -4.134 26.382 1.00 0.00 ATOM 962 CD1 ILE 118 9.923 -4.559 26.261 1.00 0.00 ATOM 963 O ILE 118 15.449 -4.875 24.616 1.00 0.00 ATOM 964 C ILE 118 14.552 -5.714 24.742 1.00 0.00 ATOM 965 N THR 119 14.830 -6.930 25.230 1.00 0.00 ATOM 966 CA THR 119 16.145 -7.253 25.789 1.00 0.00 ATOM 967 CB THR 119 16.120 -8.587 26.559 1.00 0.00 ATOM 968 CG2 THR 119 15.132 -8.516 27.712 1.00 0.00 ATOM 969 OG1 THR 119 15.728 -9.644 25.675 1.00 0.00 ATOM 970 O THR 119 18.449 -7.378 25.121 1.00 0.00 ATOM 971 C THR 119 17.234 -7.393 24.786 1.00 0.00 ATOM 972 N SER 120 16.966 -7.440 23.489 1.00 0.00 ATOM 973 CA SER 120 17.884 -7.432 22.410 1.00 0.00 ATOM 974 CB SER 120 17.261 -8.080 21.173 1.00 0.00 ATOM 975 OG SER 120 16.973 -9.447 21.402 1.00 0.00 ATOM 976 O SER 120 19.366 -5.850 21.384 1.00 0.00 ATOM 977 C SER 120 18.312 -6.013 22.022 1.00 0.00 ATOM 978 N PHE 121 17.458 -5.038 22.343 1.00 0.00 ATOM 979 CA PHE 121 17.697 -3.658 21.854 1.00 0.00 ATOM 980 CB PHE 121 16.420 -3.076 21.245 1.00 0.00 ATOM 981 CG PHE 121 15.947 -3.805 20.020 1.00 0.00 ATOM 982 CD1 PHE 121 16.809 -4.616 19.303 1.00 0.00 ATOM 983 CD2 PHE 121 14.639 -3.680 19.585 1.00 0.00 ATOM 984 CE1 PHE 121 16.374 -5.286 18.175 1.00 0.00 ATOM 985 CE2 PHE 121 14.203 -4.351 18.457 1.00 0.00 ATOM 986 CZ PHE 121 15.065 -5.150 17.753 1.00 0.00 ATOM 987 O PHE 121 18.806 -1.750 22.712 1.00 0.00 ATOM 988 C PHE 121 18.136 -2.761 22.992 1.00 0.00 ATOM 989 N LEU 122 17.673 -3.027 24.211 1.00 0.00 ATOM 990 CA LEU 122 17.912 -2.110 25.338 1.00 0.00 ATOM 991 CB LEU 122 16.606 -1.830 26.085 1.00 0.00 ATOM 992 CG LEU 122 15.484 -1.181 25.272 1.00 0.00 ATOM 993 CD1 LEU 122 14.223 -1.039 26.111 1.00 0.00 ATOM 994 CD2 LEU 122 15.896 0.203 24.796 1.00 0.00 ATOM 995 O LEU 122 18.711 -3.805 26.848 1.00 0.00 ATOM 996 C LEU 122 18.914 -2.678 26.363 1.00 0.00 ATOM 997 N GLU 123 19.894 -1.857 26.710 1.00 0.00 ATOM 998 CA GLU 123 20.865 -2.266 27.769 1.00 0.00 ATOM 999 CB GLU 123 22.301 -2.151 27.251 1.00 0.00 ATOM 1000 CG GLU 123 22.635 -3.118 26.127 1.00 0.00 ATOM 1001 CD GLU 123 24.077 -3.005 25.671 1.00 0.00 ATOM 1002 OE1 GLU 123 24.814 -2.170 26.234 1.00 0.00 ATOM 1003 OE2 GLU 123 24.468 -3.752 24.750 1.00 0.00 ATOM 1004 O GLU 123 20.523 -0.146 28.850 1.00 0.00 ATOM 1005 C GLU 123 20.696 -1.363 28.969 1.00 0.00 ATOM 1006 N ASN 124 20.564 -1.951 30.169 1.00 0.00 ATOM 1007 CA ASN 124 20.292 -1.178 31.387 1.00 0.00 ATOM 1008 CB ASN 124 19.324 -1.937 32.298 1.00 0.00 ATOM 1009 CG ASN 124 18.807 -1.083 33.440 1.00 0.00 ATOM 1010 ND2 ASN 124 18.324 -1.735 34.491 1.00 0.00 ATOM 1011 OD1 ASN 124 18.845 0.145 33.375 1.00 0.00 ATOM 1012 O ASN 124 22.267 -1.837 32.585 1.00 0.00 ATOM 1013 C ASN 124 21.542 -0.896 32.198 1.00 0.00 TER END