PFRMAT TS TARGET T0582 AUTHOR SAM-T06-server METHOD The SAM-T06 server uses methods similar to SAM_T04 in CASP6 and 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 8 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD 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 and METHOD AA, str2, near-backbone-11) for finding and aligning more remote METHOD 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. Helix and strand constraints METHOD generated from the secondary-structure predictions are passed to METHOD undertaker to use in the cost function. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. REMARK 6 REMARK 6 T0582 model 5 Thu Jun 10 08:50:55 2010 MODEL 5 PARENT N/A ATOM 2 N ASP 14 -12.375 13.271 0.297 1.00 0.00 ATOM 3 CA ASP 14 -12.116 13.872 -1.023 1.00 0.00 ATOM 4 CB ASP 14 -12.337 15.386 -0.974 1.00 0.00 ATOM 5 CG ASP 14 -12.174 16.042 -2.331 1.00 0.00 ATOM 6 OD1 ASP 14 -11.627 15.390 -3.245 1.00 0.00 ATOM 7 OD2 ASP 14 -12.595 17.209 -2.482 1.00 0.00 ATOM 8 O ASP 14 -9.717 14.233 -1.158 1.00 0.00 ATOM 9 C ASP 14 -10.701 13.608 -1.575 1.00 0.00 ATOM 10 N THR 15 -10.632 12.664 -2.514 1.00 0.00 ATOM 11 CA THR 15 -9.404 12.277 -3.217 1.00 0.00 ATOM 12 CB THR 15 -9.620 11.015 -4.073 1.00 0.00 ATOM 13 CG2 THR 15 -10.047 9.845 -3.200 1.00 0.00 ATOM 14 OG1 THR 15 -10.644 11.261 -5.044 1.00 0.00 ATOM 15 O THR 15 -7.655 13.540 -4.298 1.00 0.00 ATOM 16 C THR 15 -8.872 13.405 -4.121 1.00 0.00 ATOM 17 N ASP 16 -9.788 14.204 -4.680 1.00 0.00 ATOM 18 CA ASP 16 -9.458 15.347 -5.553 1.00 0.00 ATOM 19 CB ASP 16 -10.723 15.897 -6.215 1.00 0.00 ATOM 20 CG ASP 16 -11.287 14.958 -7.263 1.00 0.00 ATOM 21 OD1 ASP 16 -10.563 14.031 -7.681 1.00 0.00 ATOM 22 OD2 ASP 16 -12.454 15.150 -7.666 1.00 0.00 ATOM 23 O ASP 16 -8.157 17.362 -5.382 1.00 0.00 ATOM 24 C ASP 16 -8.753 16.460 -4.782 1.00 0.00 ATOM 25 N GLN 17 -8.841 16.388 -3.453 1.00 0.00 ATOM 26 CA GLN 17 -8.163 17.319 -2.561 1.00 0.00 ATOM 27 CB GLN 17 -9.150 17.910 -1.552 1.00 0.00 ATOM 28 CG GLN 17 -8.526 18.894 -0.577 1.00 0.00 ATOM 29 CD GLN 17 -8.006 20.143 -1.262 1.00 0.00 ATOM 30 OE1 GLN 17 -8.767 20.885 -1.883 1.00 0.00 ATOM 31 NE2 GLN 17 -6.703 20.379 -1.151 1.00 0.00 ATOM 32 O GLN 17 -7.198 16.010 -0.779 1.00 0.00 ATOM 33 C GLN 17 -7.001 16.647 -1.818 1.00 0.00 ATOM 34 N LEU 18 -5.806 16.766 -2.396 1.00 0.00 ATOM 35 CA LEU 18 -4.533 16.509 -1.706 1.00 0.00 ATOM 36 CB LEU 18 -4.036 15.094 -2.006 1.00 0.00 ATOM 37 CG LEU 18 -4.956 13.947 -1.578 1.00 0.00 ATOM 38 CD1 LEU 18 -4.410 12.612 -2.059 1.00 0.00 ATOM 39 CD2 LEU 18 -5.130 13.934 -0.067 1.00 0.00 ATOM 40 O LEU 18 -3.853 18.587 -2.732 1.00 0.00 ATOM 41 C LEU 18 -3.495 17.561 -2.138 1.00 0.00 ATOM 42 N GLU 19 -2.221 17.310 -1.824 1.00 0.00 ATOM 43 CA GLU 19 -1.109 18.129 -2.319 1.00 0.00 ATOM 44 CB GLU 19 0.004 18.212 -1.273 1.00 0.00 ATOM 45 CG GLU 19 -0.400 18.924 0.008 1.00 0.00 ATOM 46 CD GLU 19 0.726 18.987 1.020 1.00 0.00 ATOM 47 OE1 GLU 19 1.771 18.344 0.787 1.00 0.00 ATOM 48 OE2 GLU 19 0.564 19.679 2.047 1.00 0.00 ATOM 49 O GLU 19 0.349 16.709 -3.643 1.00 0.00 ATOM 50 C GLU 19 -0.564 17.551 -3.642 1.00 0.00 ATOM 51 N TRP 20 -1.142 18.003 -4.759 1.00 0.00 ATOM 52 CA TRP 20 -0.815 17.474 -6.089 1.00 0.00 ATOM 53 CB TRP 20 -1.998 17.655 -7.043 1.00 0.00 ATOM 54 CG TRP 20 -3.157 16.756 -6.740 1.00 0.00 ATOM 55 CD1 TRP 20 -4.380 17.128 -6.262 1.00 0.00 ATOM 56 CD2 TRP 20 -3.202 15.332 -6.897 1.00 0.00 ATOM 57 CE2 TRP 20 -4.482 14.910 -6.493 1.00 0.00 ATOM 58 CE3 TRP 20 -2.285 14.374 -7.338 1.00 0.00 ATOM 59 NE1 TRP 20 -5.185 16.025 -6.110 1.00 0.00 ATOM 60 CZ2 TRP 20 -4.870 13.571 -6.519 1.00 0.00 ATOM 61 CZ3 TRP 20 -2.673 13.048 -7.361 1.00 0.00 ATOM 62 CH2 TRP 20 -3.953 12.655 -6.954 1.00 0.00 ATOM 63 O TRP 20 0.688 19.306 -6.458 1.00 0.00 ATOM 64 C TRP 20 0.420 18.124 -6.693 1.00 0.00 ATOM 65 N ARG 21 1.158 17.346 -7.483 1.00 0.00 ATOM 66 CA ARG 21 2.245 17.880 -8.300 1.00 0.00 ATOM 67 CB ARG 21 3.599 17.401 -7.771 1.00 0.00 ATOM 68 CG ARG 21 4.795 18.012 -8.480 1.00 0.00 ATOM 69 CD ARG 21 6.077 17.786 -7.696 1.00 0.00 ATOM 70 NE ARG 21 7.225 18.437 -8.325 1.00 0.00 ATOM 71 CZ ARG 21 8.434 18.509 -7.778 1.00 0.00 ATOM 72 NH1 ARG 21 9.418 19.120 -8.425 1.00 0.00 ATOM 73 NH2 ARG 21 8.657 17.972 -6.587 1.00 0.00 ATOM 74 O ARG 21 2.160 16.271 -10.090 1.00 0.00 ATOM 75 C ARG 21 2.058 17.463 -9.756 1.00 0.00 ATOM 76 N PRO 22 1.758 18.457 -10.604 1.00 0.00 ATOM 77 CA PRO 22 1.529 18.263 -12.042 1.00 0.00 ATOM 78 CB PRO 22 0.940 19.596 -12.507 1.00 0.00 ATOM 79 CG PRO 22 1.586 20.616 -11.630 1.00 0.00 ATOM 80 CD PRO 22 1.704 19.983 -10.271 1.00 0.00 ATOM 81 O PRO 22 3.862 18.621 -12.408 1.00 0.00 ATOM 82 C PRO 22 2.865 17.950 -12.697 1.00 0.00 ATOM 86 N MET 25 2.967 16.399 -18.809 1.00 0.00 ATOM 87 CA MET 25 2.230 15.980 -20.002 1.00 0.00 ATOM 88 CB MET 25 3.102 15.082 -20.882 1.00 0.00 ATOM 89 CG MET 25 4.307 15.785 -21.485 1.00 0.00 ATOM 90 SD MET 25 3.847 17.120 -22.606 1.00 0.00 ATOM 91 CE MET 25 4.054 18.544 -21.542 1.00 0.00 ATOM 92 O MET 25 0.806 14.058 -19.785 1.00 0.00 ATOM 93 C MET 25 0.962 15.265 -19.563 1.00 0.00 ATOM 94 N LYS 26 0.086 16.020 -18.892 1.00 0.00 ATOM 95 CA LYS 26 -1.248 15.566 -18.477 1.00 0.00 ATOM 96 CB LYS 26 -1.916 14.768 -19.599 1.00 0.00 ATOM 97 CG LYS 26 -2.000 15.508 -20.924 1.00 0.00 ATOM 98 CD LYS 26 -2.756 14.697 -21.962 1.00 0.00 ATOM 99 CE LYS 26 -1.959 13.478 -22.398 1.00 0.00 ATOM 100 NZ LYS 26 -2.650 12.718 -23.475 1.00 0.00 ATOM 101 O LYS 26 -2.471 14.149 -16.984 1.00 0.00 ATOM 102 C LYS 26 -1.404 14.705 -17.225 1.00 0.00 ATOM 103 N GLY 27 -0.359 14.587 -16.419 1.00 0.00 ATOM 104 CA GLY 27 -0.449 13.776 -15.214 1.00 0.00 ATOM 105 O GLY 27 0.581 15.634 -14.063 1.00 0.00 ATOM 106 C GLY 27 -0.170 14.652 -13.985 1.00 0.00 ATOM 107 N VAL 28 -0.802 14.304 -12.863 1.00 0.00 ATOM 108 CA VAL 28 -0.486 14.900 -11.561 1.00 0.00 ATOM 109 CB VAL 28 -1.536 15.951 -11.151 1.00 0.00 ATOM 110 CG1 VAL 28 -1.559 17.098 -12.148 1.00 0.00 ATOM 111 CG2 VAL 28 -2.911 15.310 -11.038 1.00 0.00 ATOM 112 O VAL 28 -1.001 12.764 -10.576 1.00 0.00 ATOM 113 C VAL 28 -0.375 13.819 -10.477 1.00 0.00 ATOM 114 N GLU 29 0.443 14.073 -9.456 1.00 0.00 ATOM 115 CA GLU 29 0.706 13.064 -8.426 1.00 0.00 ATOM 116 CB GLU 29 1.983 12.286 -8.751 1.00 0.00 ATOM 117 CG GLU 29 1.910 11.486 -10.043 1.00 0.00 ATOM 118 CD GLU 29 3.179 10.703 -10.316 1.00 0.00 ATOM 119 OE1 GLU 29 3.664 10.018 -9.390 1.00 0.00 ATOM 120 OE2 GLU 29 3.688 10.775 -11.453 1.00 0.00 ATOM 121 O GLU 29 1.209 14.791 -6.809 1.00 0.00 ATOM 122 C GLU 29 0.835 13.627 -7.010 1.00 0.00 ATOM 123 N ARG 30 0.515 12.776 -6.039 1.00 0.00 ATOM 124 CA ARG 30 0.696 13.081 -4.631 1.00 0.00 ATOM 125 CB ARG 30 -0.660 13.252 -3.941 1.00 0.00 ATOM 126 CG ARG 30 -0.585 13.961 -2.598 1.00 0.00 ATOM 127 CD ARG 30 -0.236 12.991 -1.481 1.00 0.00 ATOM 128 NE ARG 30 -0.413 13.591 -0.161 1.00 0.00 ATOM 129 CZ ARG 30 0.540 14.246 0.496 1.00 0.00 ATOM 130 NH1 ARG 30 0.288 14.758 1.692 1.00 0.00 ATOM 131 NH2 ARG 30 1.741 14.387 -0.046 1.00 0.00 ATOM 132 O ARG 30 1.134 10.772 -4.073 1.00 0.00 ATOM 133 C ARG 30 1.514 11.948 -4.003 1.00 0.00 ATOM 134 N ARG 31 2.664 12.286 -3.435 1.00 0.00 ATOM 135 CA ARG 31 3.460 11.271 -2.760 1.00 0.00 ATOM 136 CB ARG 31 4.945 11.640 -2.799 1.00 0.00 ATOM 137 CG ARG 31 5.539 11.679 -4.198 1.00 0.00 ATOM 138 CD ARG 31 6.937 12.275 -4.189 1.00 0.00 ATOM 139 NE ARG 31 6.929 13.681 -3.794 1.00 0.00 ATOM 140 CZ ARG 31 8.025 14.403 -3.576 1.00 0.00 ATOM 141 NH1 ARG 31 7.920 15.675 -3.220 1.00 0.00 ATOM 142 NH2 ARG 31 9.221 13.848 -3.717 1.00 0.00 ATOM 143 O ARG 31 3.061 12.097 -0.547 1.00 0.00 ATOM 144 C ARG 31 2.946 11.146 -1.336 1.00 0.00 ATOM 145 N MET 32 2.378 9.974 -1.044 1.00 0.00 ATOM 146 CA MET 32 1.724 9.673 0.218 1.00 0.00 ATOM 147 CB MET 32 0.701 8.548 0.037 1.00 0.00 ATOM 148 CG MET 32 -0.118 8.248 1.281 1.00 0.00 ATOM 149 SD MET 32 -1.363 6.973 1.003 1.00 0.00 ATOM 150 CE MET 32 -2.555 7.874 0.015 1.00 0.00 ATOM 151 O MET 32 3.626 8.468 1.013 1.00 0.00 ATOM 152 C MET 32 2.731 9.290 1.279 1.00 0.00 ATOM 156 N GLY 37 2.567 9.856 2.497 1.00 0.00 ATOM 157 CA GLY 37 3.503 9.709 3.620 1.00 0.00 ATOM 158 O GLY 37 2.396 7.873 4.723 1.00 0.00 ATOM 159 C GLY 37 3.452 8.314 4.260 1.00 0.00 ATOM 163 N VAL 40 8.924 2.747 6.011 1.00 0.00 ATOM 164 CA VAL 40 9.523 1.827 5.033 1.00 0.00 ATOM 165 CB VAL 40 8.454 0.949 4.355 1.00 0.00 ATOM 166 CG1 VAL 40 7.736 0.093 5.386 1.00 0.00 ATOM 167 CG2 VAL 40 7.462 1.814 3.590 1.00 0.00 ATOM 168 O VAL 40 10.488 3.790 4.021 1.00 0.00 ATOM 169 C VAL 40 10.320 2.562 3.960 1.00 0.00 ATOM 170 N ALA 41 10.814 1.810 2.978 1.00 0.00 ATOM 171 CA ALA 41 11.761 2.344 1.995 1.00 0.00 ATOM 172 CB ALA 41 13.070 1.571 2.047 1.00 0.00 ATOM 173 O ALA 41 11.824 2.713 -0.387 1.00 0.00 ATOM 174 C ALA 41 11.182 2.294 0.598 1.00 0.00 ATOM 175 N ARG 42 9.965 1.770 0.536 1.00 0.00 ATOM 176 CA ARG 42 9.166 1.780 -0.664 1.00 0.00 ATOM 177 CB ARG 42 8.313 0.512 -0.749 1.00 0.00 ATOM 178 CG ARG 42 9.119 -0.772 -0.865 1.00 0.00 ATOM 179 CD ARG 42 8.213 -1.992 -0.892 1.00 0.00 ATOM 180 NE ARG 42 7.418 -2.056 -2.116 1.00 0.00 ATOM 181 CZ ARG 42 6.412 -2.905 -2.309 1.00 0.00 ATOM 182 NH1 ARG 42 5.745 -2.892 -3.456 1.00 0.00 ATOM 183 NH2 ARG 42 6.078 -3.766 -1.358 1.00 0.00 ATOM 184 O ARG 42 7.835 3.495 0.379 1.00 0.00 ATOM 185 C ARG 42 8.288 3.034 -0.680 1.00 0.00 ATOM 186 N ALA 43 8.047 3.569 -1.882 1.00 0.00 ATOM 187 CA ALA 43 7.307 4.825 -2.073 1.00 0.00 ATOM 188 CB ALA 43 7.982 5.683 -3.133 1.00 0.00 ATOM 189 O ALA 43 5.589 3.585 -3.169 1.00 0.00 ATOM 190 C ALA 43 5.866 4.553 -2.460 1.00 0.00 ATOM 191 N THR 44 4.964 5.416 -1.993 1.00 0.00 ATOM 192 CA THR 44 3.531 5.336 -2.278 1.00 0.00 ATOM 193 CB THR 44 2.732 4.906 -1.033 1.00 0.00 ATOM 194 CG2 THR 44 1.248 4.810 -1.358 1.00 0.00 ATOM 195 OG1 THR 44 3.187 3.622 -0.589 1.00 0.00 ATOM 196 O THR 44 3.137 7.711 -2.148 1.00 0.00 ATOM 197 C THR 44 2.990 6.671 -2.789 1.00 0.00 ATOM 198 N SER 45 2.335 6.619 -3.939 1.00 0.00 ATOM 199 CA SER 45 1.847 7.805 -4.593 1.00 0.00 ATOM 200 CB SER 45 2.841 8.280 -5.654 1.00 0.00 ATOM 201 OG SER 45 2.358 9.429 -6.328 1.00 0.00 ATOM 202 O SER 45 0.193 6.430 -5.653 1.00 0.00 ATOM 203 C SER 45 0.492 7.548 -5.218 1.00 0.00 ATOM 204 N ILE 46 -0.326 8.600 -5.229 1.00 0.00 ATOM 205 CA ILE 46 -1.534 8.657 -6.038 1.00 0.00 ATOM 206 CB ILE 46 -2.602 9.561 -5.394 1.00 0.00 ATOM 207 CG1 ILE 46 -2.939 9.069 -3.986 1.00 0.00 ATOM 208 CG2 ILE 46 -3.838 9.637 -6.278 1.00 0.00 ATOM 209 CD1 ILE 46 -3.473 7.653 -3.945 1.00 0.00 ATOM 210 O ILE 46 -0.443 10.111 -7.591 1.00 0.00 ATOM 211 C ILE 46 -1.192 9.147 -7.441 1.00 0.00 ATOM 212 N VAL 47 -1.725 8.468 -8.458 1.00 0.00 ATOM 213 CA VAL 47 -1.621 8.952 -9.852 1.00 0.00 ATOM 214 CB VAL 47 -1.187 7.826 -10.810 1.00 0.00 ATOM 215 CG1 VAL 47 0.193 7.310 -10.434 1.00 0.00 ATOM 216 CG2 VAL 47 -2.205 6.696 -10.797 1.00 0.00 ATOM 217 O VAL 47 -4.016 9.157 -9.879 1.00 0.00 ATOM 218 C VAL 47 -2.941 9.555 -10.332 1.00 0.00 ATOM 219 N ARG 48 -2.851 10.515 -11.243 1.00 0.00 ATOM 220 CA ARG 48 -4.036 11.132 -11.809 1.00 0.00 ATOM 221 CB ARG 48 -4.308 12.483 -11.143 1.00 0.00 ATOM 222 CG ARG 48 -5.569 13.175 -11.632 1.00 0.00 ATOM 223 CD ARG 48 -5.833 14.455 -10.857 1.00 0.00 ATOM 224 NE ARG 48 -7.032 15.143 -11.330 1.00 0.00 ATOM 225 CZ ARG 48 -7.474 16.297 -10.839 1.00 0.00 ATOM 226 NH1 ARG 48 -8.575 16.849 -11.330 1.00 0.00 ATOM 227 NH2 ARG 48 -6.813 16.896 -9.859 1.00 0.00 ATOM 228 O ARG 48 -3.215 12.236 -13.774 1.00 0.00 ATOM 229 C ARG 48 -3.854 11.291 -13.309 1.00 0.00 ATOM 230 N TYR 49 -4.424 10.358 -14.055 1.00 0.00 ATOM 231 CA TYR 49 -4.271 10.316 -15.498 1.00 0.00 ATOM 232 CB TYR 49 -3.699 8.967 -15.938 1.00 0.00 ATOM 233 CG TYR 49 -2.308 8.691 -15.415 1.00 0.00 ATOM 234 CD1 TYR 49 -1.937 7.413 -15.016 1.00 0.00 ATOM 235 CD2 TYR 49 -1.369 9.710 -15.320 1.00 0.00 ATOM 236 CE1 TYR 49 -0.667 7.152 -14.537 1.00 0.00 ATOM 237 CE2 TYR 49 -0.094 9.468 -14.844 1.00 0.00 ATOM 238 CZ TYR 49 0.251 8.176 -14.451 1.00 0.00 ATOM 239 OH TYR 49 1.515 7.918 -13.974 1.00 0.00 ATOM 240 O TYR 49 -6.476 9.680 -16.245 1.00 0.00 ATOM 241 C TYR 49 -5.638 10.582 -16.154 1.00 0.00 ATOM 242 N ALA 50 -5.867 11.835 -16.608 1.00 0.00 ATOM 243 CA ALA 50 -7.183 12.251 -17.100 1.00 0.00 ATOM 244 CB ALA 50 -7.246 13.764 -17.231 1.00 0.00 ATOM 245 O ALA 50 -6.704 11.086 -19.132 1.00 0.00 ATOM 246 C ALA 50 -7.566 11.628 -18.437 1.00 0.00 ATOM 247 N PRO 51 -8.859 11.696 -18.755 1.00 0.00 ATOM 248 CA PRO 51 -9.389 11.444 -20.109 1.00 0.00 ATOM 249 CB PRO 51 -9.418 12.828 -20.759 1.00 0.00 ATOM 250 CG PRO 51 -8.348 13.594 -20.058 1.00 0.00 ATOM 251 CD PRO 51 -8.344 13.101 -18.638 1.00 0.00 ATOM 252 O PRO 51 -8.527 9.296 -20.700 1.00 0.00 ATOM 253 C PRO 51 -8.575 10.499 -20.973 1.00 0.00 ATOM 254 N GLY 52 -7.935 11.044 -22.006 1.00 0.00 ATOM 255 CA GLY 52 -7.049 10.255 -22.859 1.00 0.00 ATOM 256 O GLY 52 -4.924 10.971 -23.687 1.00 0.00 ATOM 257 C GLY 52 -5.595 10.659 -22.706 1.00 0.00 ATOM 258 N SER 53 -5.106 10.675 -21.471 1.00 0.00 ATOM 259 CA SER 53 -3.714 11.039 -21.221 1.00 0.00 ATOM 260 CB SER 53 -3.622 12.055 -20.080 1.00 0.00 ATOM 261 OG SER 53 -4.111 11.507 -18.868 1.00 0.00 ATOM 262 O SER 53 -3.297 8.909 -20.204 1.00 0.00 ATOM 263 C SER 53 -2.850 9.832 -20.893 1.00 0.00 ATOM 264 N ARG 54 -1.614 9.843 -21.391 1.00 0.00 ATOM 265 CA ARG 54 -0.680 8.764 -21.111 1.00 0.00 ATOM 266 CB ARG 54 -0.100 8.206 -22.412 1.00 0.00 ATOM 267 CG ARG 54 -1.131 7.560 -23.323 1.00 0.00 ATOM 268 CD ARG 54 -0.487 7.024 -24.593 1.00 0.00 ATOM 269 NE ARG 54 0.401 5.897 -24.320 1.00 0.00 ATOM 270 CZ ARG 54 -0.000 4.634 -24.232 1.00 0.00 ATOM 271 NH1 ARG 54 0.880 3.674 -23.981 1.00 0.00 ATOM 272 NH2 ARG 54 -1.282 4.333 -24.392 1.00 0.00 ATOM 273 O ARG 54 1.106 10.219 -20.391 1.00 0.00 ATOM 274 C ARG 54 0.464 9.177 -20.203 1.00 0.00 ATOM 275 N PHE 55 0.690 8.336 -19.195 1.00 0.00 ATOM 276 CA PHE 55 1.859 8.413 -18.332 1.00 0.00 ATOM 277 CB PHE 55 1.735 7.423 -17.172 1.00 0.00 ATOM 278 CG PHE 55 2.883 7.477 -16.204 1.00 0.00 ATOM 279 CD1 PHE 55 2.774 8.178 -15.015 1.00 0.00 ATOM 280 CD2 PHE 55 4.073 6.826 -16.483 1.00 0.00 ATOM 281 CE1 PHE 55 3.830 8.227 -14.126 1.00 0.00 ATOM 282 CE2 PHE 55 5.128 6.876 -15.593 1.00 0.00 ATOM 283 CZ PHE 55 5.011 7.572 -14.419 1.00 0.00 ATOM 284 O PHE 55 3.090 7.163 -19.989 1.00 0.00 ATOM 285 C PHE 55 3.090 8.128 -19.208 1.00 0.00 ATOM 286 N SER 56 4.120 8.999 -19.122 1.00 0.00 ATOM 287 CA SER 56 5.333 8.839 -19.937 1.00 0.00 ATOM 288 CB SER 56 6.185 10.108 -19.886 1.00 0.00 ATOM 289 OG SER 56 7.391 9.942 -20.610 1.00 0.00 ATOM 290 O SER 56 6.316 7.445 -18.262 1.00 0.00 ATOM 291 C SER 56 6.145 7.633 -19.464 1.00 0.00 ATOM 292 N ALA 57 6.626 6.836 -20.419 1.00 0.00 ATOM 293 CA ALA 57 7.157 5.493 -20.157 1.00 0.00 ATOM 294 CB ALA 57 7.814 4.930 -21.409 1.00 0.00 ATOM 295 O ALA 57 9.100 6.232 -18.957 1.00 0.00 ATOM 296 C ALA 57 8.161 5.431 -19.016 1.00 0.00 ATOM 297 N HIS 58 7.945 4.477 -18.113 1.00 0.00 ATOM 298 CA HIS 58 8.796 4.324 -16.938 1.00 0.00 ATOM 299 CB HIS 58 8.083 4.845 -15.689 1.00 0.00 ATOM 300 CG HIS 58 6.589 4.844 -15.800 1.00 0.00 ATOM 301 CD2 HIS 58 5.589 5.750 -16.343 1.00 0.00 ATOM 302 ND1 HIS 58 5.809 3.811 -15.328 1.00 0.00 ATOM 303 CE1 HIS 58 4.516 4.093 -15.570 1.00 0.00 ATOM 304 NE2 HIS 58 4.376 5.255 -16.179 1.00 0.00 ATOM 305 O HIS 58 8.397 2.001 -16.438 1.00 0.00 ATOM 306 C HIS 58 9.228 2.886 -16.700 1.00 0.00 ATOM 307 N THR 59 10.542 2.677 -16.796 1.00 0.00 ATOM 308 CA THR 59 11.190 1.502 -16.212 1.00 0.00 ATOM 309 CB THR 59 12.657 1.384 -16.664 1.00 0.00 ATOM 310 CG2 THR 59 12.745 1.332 -18.181 1.00 0.00 ATOM 311 OG1 THR 59 13.396 2.522 -16.200 1.00 0.00 ATOM 312 O THR 59 10.704 2.588 -14.100 1.00 0.00 ATOM 313 C THR 59 11.118 1.565 -14.688 1.00 0.00 ATOM 314 N HIS 60 11.517 0.475 -14.037 1.00 0.00 ATOM 315 CA HIS 60 11.325 0.352 -12.593 1.00 0.00 ATOM 316 CB HIS 60 10.312 -0.750 -12.278 1.00 0.00 ATOM 317 CG HIS 60 9.076 -0.694 -13.121 1.00 0.00 ATOM 318 CD2 HIS 60 7.786 -0.026 -13.028 1.00 0.00 ATOM 319 ND1 HIS 60 8.955 -1.379 -14.311 1.00 0.00 ATOM 320 CE1 HIS 60 7.740 -1.133 -14.836 1.00 0.00 ATOM 321 NE2 HIS 60 7.034 -0.323 -14.071 1.00 0.00 ATOM 322 O HIS 60 13.412 -0.790 -12.250 1.00 0.00 ATOM 323 C HIS 60 12.617 0.067 -11.848 1.00 0.00 ATOM 324 N ASP 61 12.824 0.810 -10.766 1.00 0.00 ATOM 325 CA ASP 61 13.919 0.535 -9.851 1.00 0.00 ATOM 326 CB ASP 61 14.444 1.835 -9.239 1.00 0.00 ATOM 327 CG ASP 61 13.398 2.553 -8.409 1.00 0.00 ATOM 328 OD1 ASP 61 12.252 2.058 -8.341 1.00 0.00 ATOM 329 OD2 ASP 61 13.722 3.608 -7.827 1.00 0.00 ATOM 330 O ASP 61 13.777 -0.269 -7.579 1.00 0.00 ATOM 331 C ASP 61 13.446 -0.435 -8.756 1.00 0.00 ATOM 332 N GLY 62 12.666 -1.442 -9.162 1.00 0.00 ATOM 333 CA GLY 62 12.160 -2.489 -8.272 1.00 0.00 ATOM 334 O GLY 62 10.399 -2.748 -9.879 1.00 0.00 ATOM 335 C GLY 62 10.802 -2.988 -8.732 1.00 0.00 ATOM 336 N GLY 63 10.096 -3.689 -7.842 1.00 0.00 ATOM 337 CA GLY 63 8.716 -4.098 -8.092 1.00 0.00 ATOM 338 O GLY 63 8.046 -1.963 -7.231 1.00 0.00 ATOM 339 C GLY 63 7.795 -2.879 -8.010 1.00 0.00 ATOM 340 N GLU 64 6.750 -2.857 -8.835 1.00 0.00 ATOM 341 CA GLU 64 5.770 -1.754 -8.833 1.00 0.00 ATOM 342 CB GLU 64 5.894 -0.924 -10.112 1.00 0.00 ATOM 343 CG GLU 64 5.256 0.453 -10.022 1.00 0.00 ATOM 344 CD GLU 64 5.294 1.200 -11.342 1.00 0.00 ATOM 345 OE1 GLU 64 4.842 0.633 -12.359 1.00 0.00 ATOM 346 OE2 GLU 64 5.777 2.351 -11.359 1.00 0.00 ATOM 347 O GLU 64 4.047 -3.368 -9.207 1.00 0.00 ATOM 348 C GLU 64 4.352 -2.297 -8.688 1.00 0.00 ATOM 349 N GLU 65 3.497 -1.548 -7.990 1.00 0.00 ATOM 350 CA GLU 65 2.118 -1.961 -7.684 1.00 0.00 ATOM 351 CB GLU 65 1.992 -2.356 -6.211 1.00 0.00 ATOM 352 CG GLU 65 2.824 -3.565 -5.820 1.00 0.00 ATOM 353 CD GLU 65 2.673 -3.928 -4.356 1.00 0.00 ATOM 354 OE1 GLU 65 1.551 -4.291 -3.947 1.00 0.00 ATOM 355 OE2 GLU 65 3.678 -3.849 -3.618 1.00 0.00 ATOM 356 O GLU 65 1.283 0.274 -7.528 1.00 0.00 ATOM 357 C GLU 65 1.135 -0.854 -8.014 1.00 0.00 ATOM 358 N PHE 66 0.134 -1.166 -8.833 1.00 0.00 ATOM 359 CA PHE 66 -0.783 -0.142 -9.276 1.00 0.00 ATOM 360 CB PHE 66 -0.483 0.256 -10.722 1.00 0.00 ATOM 361 CG PHE 66 0.892 0.828 -10.920 1.00 0.00 ATOM 362 CD1 PHE 66 2.018 0.057 -10.686 1.00 0.00 ATOM 363 CD2 PHE 66 1.062 2.135 -11.339 1.00 0.00 ATOM 364 CE1 PHE 66 3.284 0.582 -10.868 1.00 0.00 ATOM 365 CE2 PHE 66 2.327 2.661 -11.521 1.00 0.00 ATOM 366 CZ PHE 66 3.436 1.891 -11.287 1.00 0.00 ATOM 367 O PHE 66 -2.678 -1.606 -9.727 1.00 0.00 ATOM 368 C PHE 66 -2.247 -0.588 -9.162 1.00 0.00 ATOM 369 N ILE 67 -3.013 0.203 -8.429 1.00 0.00 ATOM 370 CA ILE 67 -4.399 -0.106 -8.168 1.00 0.00 ATOM 371 CB ILE 67 -4.661 -0.293 -6.662 1.00 0.00 ATOM 372 CG1 ILE 67 -3.826 -1.453 -6.115 1.00 0.00 ATOM 373 CG2 ILE 67 -6.146 -0.492 -6.400 1.00 0.00 ATOM 374 CD1 ILE 67 -3.849 -1.563 -4.605 1.00 0.00 ATOM 375 O ILE 67 -4.971 2.189 -8.476 1.00 0.00 ATOM 376 C ILE 67 -5.230 1.022 -8.752 1.00 0.00 ATOM 377 N VAL 68 -6.220 0.681 -9.560 1.00 0.00 ATOM 378 CA VAL 68 -7.095 1.707 -10.104 1.00 0.00 ATOM 379 CB VAL 68 -7.652 1.300 -11.481 1.00 0.00 ATOM 380 CG1 VAL 68 -8.534 2.403 -12.046 1.00 0.00 ATOM 381 CG2 VAL 68 -6.518 0.976 -12.440 1.00 0.00 ATOM 382 O VAL 68 -8.902 1.050 -8.650 1.00 0.00 ATOM 383 C VAL 68 -8.233 1.980 -9.120 1.00 0.00 ATOM 384 N LEU 69 -8.434 3.258 -8.805 1.00 0.00 ATOM 385 CA LEU 69 -9.520 3.682 -7.924 1.00 0.00 ATOM 386 CB LEU 69 -9.013 4.699 -6.899 1.00 0.00 ATOM 387 CG LEU 69 -7.733 4.324 -6.148 1.00 0.00 ATOM 388 CD1 LEU 69 -7.062 5.564 -5.579 1.00 0.00 ATOM 389 CD2 LEU 69 -8.032 3.327 -5.039 1.00 0.00 ATOM 390 O LEU 69 -11.846 4.152 -8.303 1.00 0.00 ATOM 391 C LEU 69 -10.686 4.279 -8.713 1.00 0.00 ATOM 392 N ASP 70 -10.374 4.923 -9.837 1.00 0.00 ATOM 393 CA ASP 70 -11.394 5.433 -10.763 1.00 0.00 ATOM 394 CB ASP 70 -11.573 6.942 -10.585 1.00 0.00 ATOM 395 CG ASP 70 -12.169 7.304 -9.239 1.00 0.00 ATOM 396 OD1 ASP 70 -13.356 6.985 -9.009 1.00 0.00 ATOM 397 OD2 ASP 70 -11.451 7.906 -8.413 1.00 0.00 ATOM 398 O ASP 70 -9.804 5.078 -12.522 1.00 0.00 ATOM 399 C ASP 70 -10.986 5.092 -12.189 1.00 0.00 ATOM 400 N GLY 71 -11.975 4.806 -13.029 1.00 0.00 ATOM 401 CA GLY 71 -11.752 4.566 -14.455 1.00 0.00 ATOM 402 O GLY 71 -10.935 2.325 -14.143 1.00 0.00 ATOM 403 C GLY 71 -10.869 3.372 -14.792 1.00 0.00 ATOM 404 N VAL 72 -10.046 3.545 -15.825 1.00 0.00 ATOM 405 CA VAL 72 -9.252 2.463 -16.386 1.00 0.00 ATOM 406 CB VAL 72 -10.080 1.601 -17.360 1.00 0.00 ATOM 407 CG1 VAL 72 -10.485 2.417 -18.577 1.00 0.00 ATOM 408 CG2 VAL 72 -9.294 0.368 -17.777 1.00 0.00 ATOM 409 O VAL 72 -7.974 4.216 -17.380 1.00 0.00 ATOM 410 C VAL 72 -8.029 3.020 -17.087 1.00 0.00 ATOM 411 N PHE 73 -7.051 2.148 -17.347 1.00 0.00 ATOM 412 CA PHE 73 -5.874 2.491 -18.151 1.00 0.00 ATOM 413 CB PHE 73 -4.775 3.082 -17.267 1.00 0.00 ATOM 414 CG PHE 73 -3.945 2.049 -16.559 1.00 0.00 ATOM 415 CD1 PHE 73 -4.237 1.679 -15.257 1.00 0.00 ATOM 416 CD2 PHE 73 -2.873 1.447 -17.195 1.00 0.00 ATOM 417 CE1 PHE 73 -3.472 0.727 -14.607 1.00 0.00 ATOM 418 CE2 PHE 73 -2.110 0.497 -16.545 1.00 0.00 ATOM 419 CZ PHE 73 -2.405 0.137 -15.256 1.00 0.00 ATOM 420 O PHE 73 -5.424 0.139 -18.457 1.00 0.00 ATOM 421 C PHE 73 -5.320 1.288 -18.914 1.00 0.00 ATOM 422 N GLN 74 -4.738 1.572 -20.083 1.00 0.00 ATOM 423 CA GLN 74 -4.117 0.563 -20.933 1.00 0.00 ATOM 424 CB GLN 74 -4.638 0.677 -22.367 1.00 0.00 ATOM 425 CG GLN 74 -6.122 0.384 -22.513 1.00 0.00 ATOM 426 CD GLN 74 -6.600 0.490 -23.947 1.00 0.00 ATOM 427 OE1 GLN 74 -6.125 1.332 -24.710 1.00 0.00 ATOM 428 NE2 GLN 74 -7.542 -0.369 -24.321 1.00 0.00 ATOM 429 O GLN 74 -2.057 1.796 -20.950 1.00 0.00 ATOM 430 C GLN 74 -2.599 0.690 -20.918 1.00 0.00 ATOM 431 N ASP 75 -1.931 -0.460 -20.873 1.00 0.00 ATOM 432 CA ASP 75 -0.475 -0.543 -20.798 1.00 0.00 ATOM 433 CB ASP 75 0.013 -0.170 -19.397 1.00 0.00 ATOM 434 CG ASP 75 -0.743 -0.900 -18.304 1.00 0.00 ATOM 435 OD1 ASP 75 -1.784 -0.379 -17.852 1.00 0.00 ATOM 436 OD2 ASP 75 -0.294 -1.993 -17.901 1.00 0.00 ATOM 437 O ASP 75 -0.275 -2.417 -22.288 1.00 0.00 ATOM 438 C ASP 75 -0.018 -1.950 -21.175 1.00 0.00 ATOM 439 N GLU 76 0.643 -2.599 -20.208 1.00 0.00 ATOM 440 CA GLU 76 1.270 -3.932 -20.317 1.00 0.00 ATOM 441 CB GLU 76 1.151 -4.690 -18.992 1.00 0.00 ATOM 442 CG GLU 76 1.559 -3.877 -17.774 1.00 0.00 ATOM 443 CD GLU 76 3.002 -4.112 -17.373 1.00 0.00 ATOM 444 OE1 GLU 76 3.313 -3.982 -16.170 1.00 0.00 ATOM 445 OE2 GLU 76 3.821 -4.428 -18.261 1.00 0.00 ATOM 446 O GLU 76 0.993 -4.664 -22.605 1.00 0.00 ATOM 447 C GLU 76 0.750 -4.876 -21.404 1.00 0.00 ATOM 448 N HIS 77 0.062 -5.928 -20.964 1.00 0.00 ATOM 449 CA HIS 77 -0.518 -6.925 -21.858 1.00 0.00 ATOM 450 CB HIS 77 0.008 -8.321 -21.517 1.00 0.00 ATOM 451 CG HIS 77 1.486 -8.470 -21.694 1.00 0.00 ATOM 452 CD2 HIS 77 2.625 -8.649 -20.805 1.00 0.00 ATOM 453 ND1 HIS 77 2.094 -8.459 -22.931 1.00 0.00 ATOM 454 CE1 HIS 77 3.420 -8.613 -22.769 1.00 0.00 ATOM 455 NE2 HIS 77 3.746 -8.728 -21.497 1.00 0.00 ATOM 456 O HIS 77 -2.760 -7.491 -22.558 1.00 0.00 ATOM 457 C HIS 77 -2.036 -6.867 -21.753 1.00 0.00 ATOM 458 N GLY 78 -2.497 -6.068 -20.783 1.00 0.00 ATOM 459 CA GLY 78 -3.874 -6.132 -20.277 1.00 0.00 ATOM 460 O GLY 78 -4.006 -3.704 -20.138 1.00 0.00 ATOM 461 C GLY 78 -4.612 -4.789 -20.109 1.00 0.00 ATOM 462 N ASP 79 -5.932 -4.903 -19.928 1.00 0.00 ATOM 463 CA ASP 79 -6.793 -3.803 -19.483 1.00 0.00 ATOM 464 CB ASP 79 -8.166 -3.895 -20.151 1.00 0.00 ATOM 465 CG ASP 79 -8.113 -3.604 -21.636 1.00 0.00 ATOM 466 OD1 ASP 79 -7.402 -2.657 -22.032 1.00 0.00 ATOM 467 OD2 ASP 79 -8.782 -4.326 -22.408 1.00 0.00 ATOM 468 O ASP 79 -7.249 -4.867 -17.376 1.00 0.00 ATOM 469 C ASP 79 -6.931 -3.828 -17.958 1.00 0.00 ATOM 470 N TYR 80 -6.695 -2.685 -17.320 1.00 0.00 ATOM 471 CA TYR 80 -6.874 -2.549 -15.870 1.00 0.00 ATOM 472 CB TYR 80 -5.564 -2.119 -15.206 1.00 0.00 ATOM 473 CG TYR 80 -4.452 -3.135 -15.329 1.00 0.00 ATOM 474 CD1 TYR 80 -3.649 -3.176 -16.460 1.00 0.00 ATOM 475 CD2 TYR 80 -4.210 -4.050 -14.312 1.00 0.00 ATOM 476 CE1 TYR 80 -2.629 -4.102 -16.581 1.00 0.00 ATOM 477 CE2 TYR 80 -3.196 -4.982 -14.415 1.00 0.00 ATOM 478 CZ TYR 80 -2.403 -5.001 -15.562 1.00 0.00 ATOM 479 OH TYR 80 -1.389 -5.924 -15.680 1.00 0.00 ATOM 480 O TYR 80 -7.885 -0.373 -15.892 1.00 0.00 ATOM 481 C TYR 80 -7.984 -1.547 -15.546 1.00 0.00 ATOM 482 N PRO 81 -9.043 -2.023 -14.891 1.00 0.00 ATOM 483 CA PRO 81 -10.185 -1.173 -14.497 1.00 0.00 ATOM 484 CB PRO 81 -11.409 -1.941 -14.998 1.00 0.00 ATOM 485 CG PRO 81 -10.881 -2.817 -16.085 1.00 0.00 ATOM 486 CD PRO 81 -9.497 -3.221 -15.659 1.00 0.00 ATOM 487 O PRO 81 -9.443 -1.459 -12.237 1.00 0.00 ATOM 488 C PRO 81 -10.270 -0.948 -12.990 1.00 0.00 ATOM 489 N ALA 82 -11.279 -0.189 -12.556 1.00 0.00 ATOM 490 CA ALA 82 -11.442 0.206 -11.167 1.00 0.00 ATOM 491 CB ALA 82 -12.698 1.049 -11.000 1.00 0.00 ATOM 492 O ALA 82 -12.459 -1.788 -10.269 1.00 0.00 ATOM 493 C ALA 82 -11.502 -1.005 -10.240 1.00 0.00 ATOM 494 N GLY 83 -10.457 -1.158 -9.433 1.00 0.00 ATOM 495 CA GLY 83 -10.313 -2.317 -8.555 1.00 0.00 ATOM 496 O GLY 83 -8.705 -4.030 -8.077 1.00 0.00 ATOM 497 C GLY 83 -9.198 -3.287 -8.931 1.00 0.00 ATOM 498 N THR 84 -8.806 -3.276 -10.199 1.00 0.00 ATOM 499 CA THR 84 -7.755 -4.145 -10.731 1.00 0.00 ATOM 500 CB THR 84 -7.759 -4.159 -12.270 1.00 0.00 ATOM 501 CG2 THR 84 -9.093 -4.668 -12.794 1.00 0.00 ATOM 502 OG1 THR 84 -7.549 -2.830 -12.765 1.00 0.00 ATOM 503 O THR 84 -6.131 -2.536 -10.033 1.00 0.00 ATOM 504 C THR 84 -6.383 -3.725 -10.242 1.00 0.00 ATOM 505 N TYR 85 -5.499 -4.706 -10.068 1.00 0.00 ATOM 506 CA TYR 85 -4.135 -4.430 -9.639 1.00 0.00 ATOM 507 CB TYR 85 -3.885 -5.007 -8.243 1.00 0.00 ATOM 508 CG TYR 85 -2.493 -4.746 -7.713 1.00 0.00 ATOM 509 CD1 TYR 85 -2.256 -3.707 -6.823 1.00 0.00 ATOM 510 CD2 TYR 85 -1.422 -5.540 -8.105 1.00 0.00 ATOM 511 CE1 TYR 85 -0.987 -3.461 -6.332 1.00 0.00 ATOM 512 CE2 TYR 85 -0.148 -5.308 -7.625 1.00 0.00 ATOM 513 CZ TYR 85 0.064 -4.258 -6.732 1.00 0.00 ATOM 514 OH TYR 85 1.327 -4.016 -6.244 1.00 0.00 ATOM 515 O TYR 85 -3.030 -6.191 -10.870 1.00 0.00 ATOM 516 C TYR 85 -3.081 -4.977 -10.598 1.00 0.00 ATOM 517 N VAL 86 -2.263 -4.040 -11.101 1.00 0.00 ATOM 518 CA VAL 86 -1.054 -4.315 -11.896 1.00 0.00 ATOM 519 CB VAL 86 -0.789 -3.198 -12.924 1.00 0.00 ATOM 520 CG1 VAL 86 -0.569 -1.868 -12.220 1.00 0.00 ATOM 521 CG2 VAL 86 0.407 -3.549 -13.794 1.00 0.00 ATOM 522 O VAL 86 0.491 -3.689 -10.153 1.00 0.00 ATOM 523 C VAL 86 0.196 -4.497 -11.031 1.00 0.00 ATOM 524 N ARG 87 0.917 -5.575 -11.311 1.00 0.00 ATOM 525 CA ARG 87 2.208 -5.859 -10.712 1.00 0.00 ATOM 526 CB ARG 87 2.200 -7.237 -10.047 1.00 0.00 ATOM 527 CG ARG 87 3.532 -7.638 -9.433 1.00 0.00 ATOM 528 CD ARG 87 3.408 -8.930 -8.641 1.00 0.00 ATOM 529 NE ARG 87 2.632 -8.747 -7.417 1.00 0.00 ATOM 530 CZ ARG 87 2.223 -9.743 -6.636 1.00 0.00 ATOM 531 NH1 ARG 87 1.522 -9.482 -5.540 1.00 0.00 ATOM 532 NH2 ARG 87 2.516 -10.997 -6.951 1.00 0.00 ATOM 533 O ARG 87 3.290 -6.564 -12.762 1.00 0.00 ATOM 534 C ARG 87 3.279 -5.764 -11.814 1.00 0.00 ATOM 535 N ASN 88 4.155 -4.771 -11.691 1.00 0.00 ATOM 536 CA ASN 88 5.246 -4.570 -12.643 1.00 0.00 ATOM 537 CB ASN 88 5.269 -3.121 -13.131 1.00 0.00 ATOM 538 CG ASN 88 4.044 -2.760 -13.949 1.00 0.00 ATOM 539 ND2 ASN 88 3.474 -1.592 -13.678 1.00 0.00 ATOM 540 OD1 ASN 88 3.618 -3.526 -14.814 1.00 0.00 ATOM 541 O ASN 88 6.877 -4.639 -10.884 1.00 0.00 ATOM 542 C ASN 88 6.598 -4.948 -12.041 1.00 0.00 ATOM 543 N PRO 89 7.427 -5.610 -12.848 1.00 0.00 ATOM 544 CA PRO 89 8.747 -6.088 -12.431 1.00 0.00 ATOM 545 CB PRO 89 8.989 -7.316 -13.309 1.00 0.00 ATOM 546 CG PRO 89 7.626 -7.745 -13.736 1.00 0.00 ATOM 547 CD PRO 89 6.821 -6.485 -13.888 1.00 0.00 ATOM 548 O PRO 89 9.529 -3.832 -12.853 1.00 0.00 ATOM 549 C PRO 89 9.837 -5.013 -12.654 1.00 0.00 ATOM 550 N PRO 90 11.102 -5.433 -12.597 1.00 0.00 ATOM 551 CA PRO 90 12.242 -4.573 -12.907 1.00 0.00 ATOM 552 CB PRO 90 13.374 -5.134 -12.043 1.00 0.00 ATOM 553 CG PRO 90 13.000 -6.560 -11.816 1.00 0.00 ATOM 554 CD PRO 90 11.499 -6.589 -11.735 1.00 0.00 ATOM 555 O PRO 90 12.903 -3.672 -15.046 1.00 0.00 ATOM 556 C PRO 90 12.551 -4.666 -14.403 1.00 0.00 ATOM 557 N THR 91 12.416 -5.876 -14.939 1.00 0.00 ATOM 558 CA THR 91 12.470 -6.111 -16.378 1.00 0.00 ATOM 559 CB THR 91 12.963 -7.535 -16.698 1.00 0.00 ATOM 560 CG2 THR 91 14.402 -7.716 -16.242 1.00 0.00 ATOM 561 OG1 THR 91 12.142 -8.492 -16.018 1.00 0.00 ATOM 562 O THR 91 10.331 -6.817 -17.273 1.00 0.00 ATOM 563 C THR 91 11.071 -5.875 -16.974 1.00 0.00 ATOM 564 N THR 92 10.719 -4.593 -17.101 1.00 0.00 ATOM 565 CA THR 92 9.468 -4.137 -17.726 1.00 0.00 ATOM 566 CB THR 92 8.260 -4.358 -16.797 1.00 0.00 ATOM 567 CG2 THR 92 6.977 -3.903 -17.474 1.00 0.00 ATOM 568 OG1 THR 92 8.144 -5.750 -16.483 1.00 0.00 ATOM 569 O THR 92 9.619 -1.786 -17.243 1.00 0.00 ATOM 570 C THR 92 9.541 -2.660 -18.114 1.00 0.00 ATOM 571 N SER 93 9.512 -2.395 -19.419 1.00 0.00 ATOM 572 CA SER 93 9.343 -1.043 -19.939 1.00 0.00 ATOM 573 CB SER 93 10.300 -0.794 -21.106 1.00 0.00 ATOM 574 OG SER 93 10.072 0.475 -21.693 1.00 0.00 ATOM 575 O SER 93 7.386 -1.720 -21.141 1.00 0.00 ATOM 576 C SER 93 7.879 -0.911 -20.349 1.00 0.00 ATOM 577 N HIS 94 7.173 0.080 -19.804 1.00 0.00 ATOM 578 CA HIS 94 5.754 0.273 -20.156 1.00 0.00 ATOM 579 CB HIS 94 4.854 -0.513 -19.201 1.00 0.00 ATOM 580 CG HIS 94 4.505 0.233 -17.950 1.00 0.00 ATOM 581 CD2 HIS 94 5.252 0.947 -16.925 1.00 0.00 ATOM 582 ND1 HIS 94 3.209 0.380 -17.507 1.00 0.00 ATOM 583 CE1 HIS 94 3.214 1.092 -16.366 1.00 0.00 ATOM 584 NE2 HIS 94 4.436 1.436 -16.011 1.00 0.00 ATOM 585 O HIS 94 5.902 2.600 -19.541 1.00 0.00 ATOM 586 C HIS 94 5.286 1.731 -20.160 1.00 0.00 ATOM 587 N VAL 95 4.201 1.973 -20.893 1.00 0.00 ATOM 588 CA VAL 95 3.622 3.303 -21.051 1.00 0.00 ATOM 589 CB VAL 95 3.868 3.862 -22.463 1.00 0.00 ATOM 590 CG1 VAL 95 3.259 5.249 -22.603 1.00 0.00 ATOM 591 CG2 VAL 95 5.357 3.897 -22.771 1.00 0.00 ATOM 592 O VAL 95 1.313 2.902 -21.616 1.00 0.00 ATOM 593 C VAL 95 2.121 3.267 -20.748 1.00 0.00 ATOM 594 N PRO 96 1.746 3.636 -19.510 1.00 0.00 ATOM 595 CA PRO 96 0.348 3.590 -19.074 1.00 0.00 ATOM 596 CB PRO 96 0.433 3.683 -17.549 1.00 0.00 ATOM 597 CG PRO 96 1.894 3.647 -17.252 1.00 0.00 ATOM 598 CD PRO 96 2.585 4.096 -18.511 1.00 0.00 ATOM 599 O PRO 96 -0.374 5.875 -19.174 1.00 0.00 ATOM 600 C PRO 96 -0.479 4.738 -19.644 1.00 0.00 ATOM 601 N GLY 97 -1.287 4.432 -20.657 1.00 0.00 ATOM 602 CA GLY 97 -2.211 5.404 -21.242 1.00 0.00 ATOM 603 O GLY 97 -4.131 4.112 -20.601 1.00 0.00 ATOM 604 C GLY 97 -3.599 5.226 -20.621 1.00 0.00 ATOM 605 N SER 98 -4.181 6.312 -20.112 1.00 0.00 ATOM 606 CA SER 98 -5.553 6.264 -19.600 1.00 0.00 ATOM 607 CB SER 98 -5.893 7.554 -18.852 1.00 0.00 ATOM 608 OG SER 98 -5.894 8.667 -19.729 1.00 0.00 ATOM 609 O SER 98 -6.403 6.632 -21.820 1.00 0.00 ATOM 610 C SER 98 -6.535 6.034 -20.742 1.00 0.00 ATOM 611 N ALA 99 -7.495 5.138 -20.507 1.00 0.00 ATOM 612 CA ALA 99 -8.612 4.932 -21.427 1.00 0.00 ATOM 613 CB ALA 99 -9.319 3.623 -21.118 1.00 0.00 ATOM 614 O ALA 99 -9.566 6.849 -20.336 1.00 0.00 ATOM 615 C ALA 99 -9.573 6.118 -21.324 1.00 0.00 ATOM 616 N GLU 100 -10.381 6.321 -22.362 1.00 0.00 ATOM 617 CA GLU 100 -11.240 7.503 -22.450 1.00 0.00 ATOM 618 CB GLU 100 -11.716 7.713 -23.889 1.00 0.00 ATOM 619 CG GLU 100 -10.602 8.041 -24.869 1.00 0.00 ATOM 620 CD GLU 100 -11.113 8.264 -26.279 1.00 0.00 ATOM 621 OE1 GLU 100 -12.306 7.993 -26.527 1.00 0.00 ATOM 622 OE2 GLU 100 -10.320 8.710 -27.135 1.00 0.00 ATOM 623 O GLU 100 -12.780 6.328 -21.018 1.00 0.00 ATOM 624 C GLU 100 -12.455 7.410 -21.519 1.00 0.00 ATOM 625 N GLY 101 -13.102 8.550 -21.273 1.00 0.00 ATOM 626 CA GLY 101 -14.358 8.582 -20.522 1.00 0.00 ATOM 627 O GLY 101 -14.843 10.383 -19.024 1.00 0.00 ATOM 628 C GLY 101 -14.341 9.262 -19.165 1.00 0.00 ATOM 629 N CYS 102 -13.751 8.590 -18.170 1.00 0.00 ATOM 630 CA CYS 102 -13.946 8.941 -16.758 1.00 0.00 ATOM 631 CB CYS 102 -14.065 7.679 -15.904 1.00 0.00 ATOM 632 SG CYS 102 -15.534 6.681 -16.246 1.00 0.00 ATOM 633 O CYS 102 -13.244 10.726 -15.334 1.00 0.00 ATOM 634 C CYS 102 -12.883 9.819 -16.087 1.00 0.00 ATOM 635 N THR 103 -11.602 9.548 -16.349 1.00 0.00 ATOM 636 CA THR 103 -10.460 10.121 -15.597 1.00 0.00 ATOM 637 CB THR 103 -10.869 11.395 -14.833 1.00 0.00 ATOM 638 CG2 THR 103 -9.676 11.975 -14.087 1.00 0.00 ATOM 639 OG1 THR 103 -11.350 12.376 -15.759 1.00 0.00 ATOM 640 O THR 103 -10.606 8.644 -13.705 1.00 0.00 ATOM 641 C THR 103 -9.907 9.078 -14.623 1.00 0.00 ATOM 642 N ILE 104 -8.646 8.697 -14.822 1.00 0.00 ATOM 643 CA ILE 104 -8.051 7.551 -14.126 1.00 0.00 ATOM 644 CB ILE 104 -7.188 6.699 -15.077 1.00 0.00 ATOM 645 CG1 ILE 104 -8.043 6.142 -16.216 1.00 0.00 ATOM 646 CG2 ILE 104 -6.478 5.597 -14.308 1.00 0.00 ATOM 647 CD1 ILE 104 -8.193 7.087 -17.388 1.00 0.00 ATOM 648 O ILE 104 -6.089 8.490 -13.045 1.00 0.00 ATOM 649 C ILE 104 -7.180 7.925 -12.900 1.00 0.00 ATOM 650 N PHE 105 -7.677 7.607 -11.698 1.00 0.00 ATOM 651 CA PHE 105 -6.932 7.857 -10.451 1.00 0.00 ATOM 652 CB PHE 105 -7.815 8.582 -9.434 1.00 0.00 ATOM 653 CG PHE 105 -8.203 9.972 -9.852 1.00 0.00 ATOM 654 CD1 PHE 105 -9.307 10.187 -10.657 1.00 0.00 ATOM 655 CD2 PHE 105 -7.461 11.066 -9.439 1.00 0.00 ATOM 656 CE1 PHE 105 -9.665 11.465 -11.041 1.00 0.00 ATOM 657 CE2 PHE 105 -7.818 12.344 -9.823 1.00 0.00 ATOM 658 CZ PHE 105 -8.914 12.548 -10.621 1.00 0.00 ATOM 659 O PHE 105 -7.210 5.600 -9.732 1.00 0.00 ATOM 660 C PHE 105 -6.426 6.532 -9.886 1.00 0.00 ATOM 661 N VAL 106 -5.122 6.460 -9.588 1.00 0.00 ATOM 662 CA VAL 106 -4.460 5.232 -9.091 1.00 0.00 ATOM 663 CB VAL 106 -3.472 4.666 -10.128 1.00 0.00 ATOM 664 CG1 VAL 106 -2.764 3.438 -9.574 1.00 0.00 ATOM 665 CG2 VAL 106 -4.193 4.328 -11.424 1.00 0.00 ATOM 666 O VAL 106 -3.300 6.486 -7.390 1.00 0.00 ATOM 667 C VAL 106 -3.699 5.384 -7.768 1.00 0.00 ATOM 668 N LYS 107 -3.474 4.251 -7.100 1.00 0.00 ATOM 669 CA LYS 107 -2.490 4.147 -6.038 1.00 0.00 ATOM 670 CB LYS 107 -3.143 3.644 -4.749 1.00 0.00 ATOM 671 CG LYS 107 -2.193 3.549 -3.568 1.00 0.00 ATOM 672 CD LYS 107 -2.912 3.071 -2.316 1.00 0.00 ATOM 673 CE LYS 107 -1.960 2.965 -1.137 1.00 0.00 ATOM 674 NZ LYS 107 -2.649 2.480 0.091 1.00 0.00 ATOM 675 O LYS 107 -1.632 2.085 -6.921 1.00 0.00 ATOM 676 C LYS 107 -1.374 3.214 -6.495 1.00 0.00 ATOM 677 N LEU 108 -0.139 3.706 -6.399 1.00 0.00 ATOM 678 CA LEU 108 1.054 2.979 -6.838 1.00 0.00 ATOM 679 CB LEU 108 1.733 3.712 -7.997 1.00 0.00 ATOM 680 CG LEU 108 2.221 5.132 -7.706 1.00 0.00 ATOM 681 CD1 LEU 108 3.567 5.103 -6.999 1.00 0.00 ATOM 682 CD2 LEU 108 2.319 5.941 -8.991 1.00 0.00 ATOM 683 O LEU 108 2.141 3.540 -4.761 1.00 0.00 ATOM 684 C LEU 108 2.085 2.762 -5.717 1.00 0.00 ATOM 685 N TRP 109 2.924 1.737 -5.870 1.00 0.00 ATOM 686 CA TRP 109 3.938 1.412 -4.867 1.00 0.00 ATOM 687 CB TRP 109 3.392 0.390 -3.867 1.00 0.00 ATOM 688 CG TRP 109 4.340 0.084 -2.747 1.00 0.00 ATOM 689 CD1 TRP 109 5.607 0.564 -2.589 1.00 0.00 ATOM 690 CD2 TRP 109 4.093 -0.774 -1.625 1.00 0.00 ATOM 691 CE2 TRP 109 5.255 -0.764 -0.832 1.00 0.00 ATOM 692 CE3 TRP 109 3.003 -1.548 -1.215 1.00 0.00 ATOM 693 NE1 TRP 109 6.167 0.061 -1.442 1.00 0.00 ATOM 694 CZ2 TRP 109 5.359 -1.499 0.348 1.00 0.00 ATOM 695 CZ3 TRP 109 3.112 -2.275 -0.045 1.00 0.00 ATOM 696 CH2 TRP 109 4.280 -2.247 0.725 1.00 0.00 ATOM 697 O TRP 109 5.177 -0.126 -6.209 1.00 0.00 ATOM 698 C TRP 109 5.223 0.876 -5.488 1.00 0.00 ATOM 699 N GLN 110 6.358 1.507 -5.174 1.00 0.00 ATOM 700 CA GLN 110 7.670 1.097 -5.705 1.00 0.00 ATOM 701 CB GLN 110 8.179 2.120 -6.723 1.00 0.00 ATOM 702 CG GLN 110 7.309 2.246 -7.963 1.00 0.00 ATOM 703 CD GLN 110 7.890 3.204 -8.985 1.00 0.00 ATOM 704 OE1 GLN 110 8.743 4.030 -8.664 1.00 0.00 ATOM 705 NE2 GLN 110 7.428 3.093 -10.226 1.00 0.00 ATOM 706 O GLN 110 8.659 1.607 -3.585 1.00 0.00 ATOM 707 C GLN 110 8.715 0.916 -4.599 1.00 0.00 TER END