PFRMAT TS TARGET T0492 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 T0492 model 1 Wed Jul 9 12:17:00 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 8.899 -8.605 1.466 1.00 0.00 ATOM 2 CA MET 1 9.934 -8.950 0.450 1.00 0.00 ATOM 3 CB MET 1 9.404 -10.036 -0.488 1.00 0.00 ATOM 4 CG MET 1 10.383 -10.458 -1.566 1.00 0.00 ATOM 5 SD MET 1 9.763 -11.842 -2.537 1.00 0.00 ATOM 6 CE MET 1 10.156 -13.179 -1.465 1.00 0.00 ATOM 7 O MET 1 11.524 -7.503 -0.616 1.00 0.00 ATOM 8 C MET 1 10.342 -7.725 -0.361 1.00 0.00 ATOM 9 N PHE 2 9.352 -6.951 -0.797 1.00 0.00 ATOM 10 CA PHE 2 9.630 -5.755 -1.584 1.00 0.00 ATOM 11 CB PHE 2 8.965 -5.851 -2.959 1.00 0.00 ATOM 12 CG PHE 2 9.497 -6.965 -3.814 1.00 0.00 ATOM 13 CD1 PHE 2 8.899 -8.213 -3.801 1.00 0.00 ATOM 14 CD2 PHE 2 10.596 -6.766 -4.631 1.00 0.00 ATOM 15 CE1 PHE 2 9.390 -9.238 -4.588 1.00 0.00 ATOM 16 CE2 PHE 2 11.086 -7.791 -5.418 1.00 0.00 ATOM 17 CZ PHE 2 10.486 -9.023 -5.399 1.00 0.00 ATOM 18 O PHE 2 7.952 -4.502 -0.383 1.00 0.00 ATOM 19 C PHE 2 9.076 -4.516 -0.893 1.00 0.00 ATOM 20 N SER 3 9.913 -3.482 -0.804 1.00 0.00 ATOM 21 CA SER 3 9.419 -2.227 -0.214 1.00 0.00 ATOM 22 CB SER 3 10.550 -1.201 -0.117 1.00 0.00 ATOM 23 OG SER 3 10.957 -0.767 -1.403 1.00 0.00 ATOM 24 O SER 3 8.532 -1.898 -2.364 1.00 0.00 ATOM 25 C SER 3 8.335 -1.706 -1.148 1.00 0.00 ATOM 26 N LEU 4 7.302 -1.022 -0.671 1.00 0.00 ATOM 27 CA LEU 4 6.287 -0.494 -1.570 1.00 0.00 ATOM 28 CB LEU 4 5.080 0.001 -0.769 1.00 0.00 ATOM 29 CG LEU 4 4.335 -1.053 0.054 1.00 0.00 ATOM 30 CD1 LEU 4 3.232 -0.409 0.880 1.00 0.00 ATOM 31 CD2 LEU 4 3.703 -2.097 -0.853 1.00 0.00 ATOM 32 O LEU 4 6.246 0.779 -3.589 1.00 0.00 ATOM 33 C LEU 4 6.809 0.587 -2.504 1.00 0.00 ATOM 34 N ARG 5 7.880 1.285 -2.118 1.00 0.00 ATOM 35 CA ARG 5 8.555 2.220 -3.045 1.00 0.00 ATOM 36 CB ARG 5 9.844 2.803 -2.082 1.00 0.00 ATOM 37 CG ARG 5 10.295 4.244 -2.086 1.00 0.00 ATOM 38 CD ARG 5 11.717 4.345 -1.535 1.00 0.00 ATOM 39 NE ARG 5 12.291 5.676 -1.504 1.00 0.00 ATOM 40 CZ ARG 5 13.376 6.047 -2.178 1.00 0.00 ATOM 41 NH1 ARG 5 14.039 5.194 -2.947 1.00 0.00 ATOM 42 NH2 ARG 5 13.808 7.308 -2.079 1.00 0.00 ATOM 43 O ARG 5 9.420 2.258 -5.294 1.00 0.00 ATOM 44 C ARG 5 9.120 1.576 -4.307 1.00 0.00 ATOM 45 N ASP 6 9.315 0.272 -4.255 1.00 0.00 ATOM 46 CA ASP 6 9.823 -0.523 -5.373 1.00 0.00 ATOM 47 CB ASP 6 10.850 -1.538 -4.867 1.00 0.00 ATOM 48 CG ASP 6 11.564 -2.257 -5.997 1.00 0.00 ATOM 49 OD1 ASP 6 11.435 -1.813 -7.157 1.00 0.00 ATOM 50 OD2 ASP 6 12.250 -3.262 -5.720 1.00 0.00 ATOM 51 O ASP 6 9.069 -2.042 -7.046 1.00 0.00 ATOM 52 C ASP 6 8.753 -1.308 -6.113 1.00 0.00 ATOM 53 N ALA 7 7.524 -0.959 -5.447 1.00 0.00 ATOM 54 CA ALA 7 6.469 -1.620 -6.197 1.00 0.00 ATOM 55 CB ALA 7 5.277 -1.918 -5.304 1.00 0.00 ATOM 56 O ALA 7 5.831 0.473 -7.204 1.00 0.00 ATOM 57 C ALA 7 6.077 -0.727 -7.373 1.00 0.00 ATOM 58 N LYS 8 6.015 -1.360 -8.556 1.00 0.00 ATOM 59 CA LYS 8 5.613 -0.639 -9.761 1.00 0.00 ATOM 60 CB LYS 8 6.270 -1.258 -10.999 1.00 0.00 ATOM 61 CG LYS 8 7.783 -1.121 -11.032 1.00 0.00 ATOM 62 CD LYS 8 8.359 -1.680 -12.323 1.00 0.00 ATOM 63 CE LYS 8 9.877 -1.602 -12.329 1.00 0.00 ATOM 64 NZ LYS 8 10.456 -2.146 -13.588 1.00 0.00 ATOM 65 O LYS 8 3.456 -1.550 -9.241 1.00 0.00 ATOM 66 C LYS 8 4.097 -0.728 -9.897 1.00 0.00 ATOM 67 N CYS 9 3.526 0.119 -10.747 1.00 0.00 ATOM 68 CA CYS 9 2.089 0.119 -10.955 1.00 0.00 ATOM 69 CB CYS 9 1.709 1.180 -11.990 1.00 0.00 ATOM 70 SG CYS 9 -0.064 1.299 -12.320 1.00 0.00 ATOM 71 O CYS 9 2.235 -1.663 -12.571 1.00 0.00 ATOM 72 C CYS 9 1.663 -1.227 -11.571 1.00 0.00 ATOM 73 N GLY 10 0.646 -1.856 -10.992 1.00 0.00 ATOM 74 CA GLY 10 0.162 -3.135 -11.497 1.00 0.00 ATOM 75 O GLY 10 -1.645 -3.113 -9.916 1.00 0.00 ATOM 76 C GLY 10 -0.839 -3.789 -10.558 1.00 0.00 ATOM 77 N GLN 11 -0.281 -3.243 -9.092 1.00 0.00 ATOM 78 CA GLN 11 0.194 -4.563 -8.723 1.00 0.00 ATOM 79 CB GLN 11 1.683 -4.529 -8.350 1.00 0.00 ATOM 80 CG GLN 11 2.270 -5.818 -7.809 1.00 0.00 ATOM 81 CD GLN 11 2.327 -6.922 -8.843 1.00 0.00 ATOM 82 OE1 GLN 11 3.122 -6.830 -9.782 1.00 0.00 ATOM 83 NE2 GLN 11 1.501 -7.944 -8.680 1.00 0.00 ATOM 84 O GLN 11 -0.662 -4.352 -6.479 1.00 0.00 ATOM 85 C GLN 11 -0.548 -5.064 -7.482 1.00 0.00 ATOM 86 N THR 12 -0.990 -6.311 -7.560 1.00 0.00 ATOM 87 CA THR 12 -1.686 -6.964 -6.464 1.00 0.00 ATOM 88 CB THR 12 -2.594 -8.104 -6.960 1.00 0.00 ATOM 89 CG2 THR 12 -3.286 -8.783 -5.786 1.00 0.00 ATOM 90 OG1 THR 12 -3.592 -7.578 -7.842 1.00 0.00 ATOM 91 O THR 12 0.232 -8.303 -5.938 1.00 0.00 ATOM 92 C THR 12 -0.639 -7.530 -5.526 1.00 0.00 ATOM 93 N VAL 13 -0.676 -7.132 -4.251 1.00 0.00 ATOM 94 CA VAL 13 0.313 -7.572 -3.291 1.00 0.00 ATOM 95 CB VAL 13 1.359 -6.486 -2.981 1.00 0.00 ATOM 96 CG1 VAL 13 2.139 -6.124 -4.236 1.00 0.00 ATOM 97 CG2 VAL 13 0.683 -5.229 -2.455 1.00 0.00 ATOM 98 O VAL 13 -1.498 -7.598 -1.688 1.00 0.00 ATOM 99 C VAL 13 -0.358 -7.948 -1.965 1.00 0.00 ATOM 100 N LYS 14 0.401 -8.661 -1.113 1.00 0.00 ATOM 101 CA LYS 14 -0.063 -8.921 0.241 1.00 0.00 ATOM 102 CB LYS 14 -0.058 -10.425 0.525 1.00 0.00 ATOM 103 CG LYS 14 -1.021 -11.223 -0.340 1.00 0.00 ATOM 104 CD LYS 14 -1.012 -12.695 0.035 1.00 0.00 ATOM 105 CE LYS 14 -1.963 -13.494 -0.840 1.00 0.00 ATOM 106 NZ LYS 14 -2.032 -14.923 -0.425 1.00 0.00 ATOM 107 O LYS 14 2.105 -8.458 1.221 1.00 0.00 ATOM 108 C LYS 14 0.902 -8.202 1.210 1.00 0.00 ATOM 109 N VAL 15 0.361 -7.342 2.051 1.00 0.00 ATOM 110 CA VAL 15 1.153 -6.601 3.034 1.00 0.00 ATOM 111 CB VAL 15 0.298 -5.556 3.775 1.00 0.00 ATOM 112 CG1 VAL 15 1.115 -4.875 4.863 1.00 0.00 ATOM 113 CG2 VAL 15 -0.197 -4.492 2.808 1.00 0.00 ATOM 114 O VAL 15 1.000 -8.449 4.554 1.00 0.00 ATOM 115 C VAL 15 1.723 -7.584 4.053 1.00 0.00 ATOM 116 N VAL 16 3.014 -7.479 4.342 1.00 0.00 ATOM 117 CA VAL 16 3.599 -8.396 5.334 1.00 0.00 ATOM 118 CB VAL 16 4.734 -9.235 4.623 1.00 0.00 ATOM 119 CG1 VAL 16 5.528 -10.034 5.656 1.00 0.00 ATOM 120 CG2 VAL 16 4.134 -10.172 3.590 1.00 0.00 ATOM 121 O VAL 16 3.985 -8.097 7.686 1.00 0.00 ATOM 122 C VAL 16 4.126 -7.630 6.539 1.00 0.00 ATOM 123 N LYS 17 4.813 -6.497 6.306 1.00 0.00 ATOM 124 CA LYS 17 5.398 -5.759 7.421 1.00 0.00 ATOM 125 CB LYS 17 6.895 -6.053 7.531 1.00 0.00 ATOM 126 CG LYS 17 7.219 -7.484 7.928 1.00 0.00 ATOM 127 CD LYS 17 8.717 -7.682 8.106 1.00 0.00 ATOM 128 CE LYS 17 9.039 -9.112 8.505 1.00 0.00 ATOM 129 NZ LYS 17 10.506 -9.328 8.655 1.00 0.00 ATOM 130 O LYS 17 5.443 -3.735 6.199 1.00 0.00 ATOM 131 C LYS 17 5.255 -4.244 7.293 1.00 0.00 ATOM 132 N LEU 18 5.000 -3.568 8.413 1.00 0.00 ATOM 133 CA LEU 18 4.944 -2.131 8.478 1.00 0.00 ATOM 134 CB LEU 18 3.507 -1.644 8.591 1.00 0.00 ATOM 135 CG LEU 18 3.380 -0.162 8.972 1.00 0.00 ATOM 136 CD1 LEU 18 3.923 0.713 7.849 1.00 0.00 ATOM 137 CD2 LEU 18 1.928 0.177 9.251 1.00 0.00 ATOM 138 O LEU 18 5.140 -2.231 10.858 1.00 0.00 ATOM 139 C LEU 18 5.519 -1.689 9.808 1.00 0.00 ATOM 140 N HIS 19 6.465 -0.760 9.736 1.00 0.00 ATOM 141 CA HIS 19 7.055 -0.192 10.930 1.00 0.00 ATOM 142 CB HIS 19 8.351 0.535 10.555 1.00 0.00 ATOM 143 CG HIS 19 9.475 -0.393 10.267 1.00 0.00 ATOM 144 CD2 HIS 19 9.519 -1.551 9.571 1.00 0.00 ATOM 145 ND1 HIS 19 10.744 -0.199 10.769 1.00 0.00 ATOM 146 CE1 HIS 19 11.523 -1.195 10.385 1.00 0.00 ATOM 147 NE2 HIS 19 10.806 -2.026 9.653 1.00 0.00 ATOM 148 O HIS 19 6.257 0.895 12.882 1.00 0.00 ATOM 149 C HIS 19 6.139 0.765 11.665 1.00 0.00 ATOM 150 N GLY 20 5.280 1.445 10.905 1.00 0.00 ATOM 151 CA GLY 20 4.482 2.554 11.419 1.00 0.00 ATOM 152 O GLY 20 6.416 3.916 10.997 1.00 0.00 ATOM 153 C GLY 20 5.174 3.865 11.134 1.00 0.00 ATOM 154 N THR 21 4.384 4.937 11.050 1.00 0.00 ATOM 155 CA THR 21 4.931 6.273 10.828 1.00 0.00 ATOM 156 CB THR 21 4.730 6.768 9.377 1.00 0.00 ATOM 157 CG2 THR 21 5.148 5.726 8.343 1.00 0.00 ATOM 158 OG1 THR 21 3.328 6.977 9.122 1.00 0.00 ATOM 159 O THR 21 3.306 6.962 12.481 1.00 0.00 ATOM 160 C THR 21 4.264 7.277 11.756 1.00 0.00 ATOM 161 N GLY 22 2.677 8.142 12.923 1.00 0.00 ATOM 162 CA GLY 22 1.422 7.853 13.582 1.00 0.00 ATOM 163 O GLY 22 -0.682 7.173 12.681 1.00 0.00 ATOM 164 C GLY 22 0.218 8.025 12.698 1.00 0.00 ATOM 165 N ALA 23 0.120 9.144 11.987 1.00 0.00 ATOM 166 CA ALA 23 -1.029 9.375 11.109 1.00 0.00 ATOM 167 CB ALA 23 -0.907 10.726 10.422 1.00 0.00 ATOM 168 O ALA 23 -2.226 7.825 9.728 1.00 0.00 ATOM 169 C ALA 23 -1.135 8.303 10.029 1.00 0.00 ATOM 170 N LEU 24 -0.015 7.967 9.381 1.00 0.00 ATOM 171 CA LEU 24 -0.050 6.972 8.314 1.00 0.00 ATOM 172 CB LEU 24 1.262 6.953 7.548 1.00 0.00 ATOM 173 CG LEU 24 1.492 8.164 6.643 1.00 0.00 ATOM 174 CD1 LEU 24 2.950 8.241 6.204 1.00 0.00 ATOM 175 CD2 LEU 24 0.566 8.153 5.423 1.00 0.00 ATOM 176 O LEU 24 -1.240 4.889 8.327 1.00 0.00 ATOM 177 C LEU 24 -0.361 5.585 8.848 1.00 0.00 ATOM 178 N LYS 25 0.341 5.145 9.905 1.00 0.00 ATOM 179 CA LYS 25 0.083 3.820 10.477 1.00 0.00 ATOM 180 CB LYS 25 1.008 3.562 11.667 1.00 0.00 ATOM 181 CG LYS 25 0.888 2.165 12.256 1.00 0.00 ATOM 182 CD LYS 25 1.898 1.947 13.371 1.00 0.00 ATOM 183 CE LYS 25 1.761 0.560 13.977 1.00 0.00 ATOM 184 NZ LYS 25 2.730 0.339 15.085 1.00 0.00 ATOM 185 O LYS 25 -2.008 2.706 10.639 1.00 0.00 ATOM 186 C LYS 25 -1.374 3.714 10.925 1.00 0.00 ATOM 187 N ARG 26 -1.958 4.787 11.476 1.00 0.00 ATOM 188 CA ARG 26 -3.376 4.791 11.836 1.00 0.00 ATOM 189 CB ARG 26 -3.803 6.067 12.545 1.00 0.00 ATOM 190 CG ARG 26 -3.286 6.048 14.013 1.00 0.00 ATOM 191 CD ARG 26 -3.725 7.297 14.711 1.00 0.00 ATOM 192 NE ARG 26 -2.930 8.494 14.467 1.00 0.00 ATOM 193 CZ ARG 26 -3.355 9.538 13.763 1.00 0.00 ATOM 194 NH1 ARG 26 -4.569 9.531 13.215 1.00 0.00 ATOM 195 NH2 ARG 26 -2.545 10.573 13.610 1.00 0.00 ATOM 196 O ARG 26 -5.224 3.914 10.570 1.00 0.00 ATOM 197 C ARG 26 -4.257 4.680 10.590 1.00 0.00 ATOM 198 N ARG 27 -3.921 5.387 9.496 1.00 0.00 ATOM 199 CA ARG 27 -4.686 5.267 8.244 1.00 0.00 ATOM 200 CB ARG 27 -4.151 6.242 7.193 1.00 0.00 ATOM 201 CG ARG 27 -4.459 7.701 7.486 1.00 0.00 ATOM 202 CD ARG 27 -3.837 8.617 6.444 1.00 0.00 ATOM 203 NE ARG 27 -4.101 10.026 6.726 1.00 0.00 ATOM 204 CZ ARG 27 -3.612 11.035 6.014 1.00 0.00 ATOM 205 NH1 ARG 27 -3.904 12.285 6.345 1.00 0.00 ATOM 206 NH2 ARG 27 -2.828 10.792 4.972 1.00 0.00 ATOM 207 O ARG 27 -5.564 3.281 7.176 1.00 0.00 ATOM 208 C ARG 27 -4.602 3.849 7.691 1.00 0.00 ATOM 209 N ILE 28 -3.394 3.260 7.736 1.00 0.00 ATOM 210 CA ILE 28 -3.268 1.879 7.241 1.00 0.00 ATOM 211 CB ILE 28 -1.808 1.413 7.293 1.00 0.00 ATOM 212 CG1 ILE 28 -0.980 2.252 6.303 1.00 0.00 ATOM 213 CG2 ILE 28 -1.715 -0.106 7.136 1.00 0.00 ATOM 214 CD1 ILE 28 0.510 2.122 6.594 1.00 0.00 ATOM 215 O ILE 28 -4.926 0.153 7.501 1.00 0.00 ATOM 216 C ILE 28 -4.175 0.957 8.058 1.00 0.00 ATOM 217 N MET 29 -4.114 1.097 9.387 1.00 0.00 ATOM 218 CA MET 29 -4.945 0.281 10.264 1.00 0.00 ATOM 219 CB MET 29 -4.824 0.623 11.712 1.00 0.00 ATOM 220 CG MET 29 -5.846 -0.101 12.575 1.00 0.00 ATOM 221 SD MET 29 -5.516 -0.082 14.313 1.00 0.00 ATOM 222 CE MET 29 -5.823 1.629 14.751 1.00 0.00 ATOM 223 O MET 29 -7.087 -0.542 9.689 1.00 0.00 ATOM 224 C MET 29 -6.411 0.456 9.864 1.00 0.00 ATOM 225 N ASP 30 -6.903 1.686 9.786 1.00 0.00 ATOM 226 CA ASP 30 -8.301 1.937 9.491 1.00 0.00 ATOM 227 CB ASP 30 -8.592 3.439 9.521 1.00 0.00 ATOM 228 CG ASP 30 -8.600 4.003 10.929 1.00 0.00 ATOM 229 OD1 ASP 30 -8.613 3.205 11.889 1.00 0.00 ATOM 230 OD2 ASP 30 -8.594 5.243 11.071 1.00 0.00 ATOM 231 O ASP 30 -9.975 1.143 7.969 1.00 0.00 ATOM 232 C ASP 30 -8.770 1.442 8.145 1.00 0.00 ATOM 233 N MET 31 -7.807 1.360 7.187 1.00 0.00 ATOM 234 CA MET 31 -8.100 0.861 5.857 1.00 0.00 ATOM 235 CB MET 31 -7.675 2.036 4.833 1.00 0.00 ATOM 236 CG MET 31 -8.541 2.035 3.588 1.00 0.00 ATOM 237 SD MET 31 -8.167 3.389 2.435 1.00 0.00 ATOM 238 CE MET 31 -6.669 2.992 2.054 1.00 0.00 ATOM 239 O MET 31 -8.142 -1.235 4.692 1.00 0.00 ATOM 240 C MET 31 -7.896 -0.644 5.743 1.00 0.00 ATOM 241 N GLY 32 -7.366 -1.288 6.804 1.00 0.00 ATOM 242 CA GLY 32 -7.083 -2.681 6.789 1.00 0.00 ATOM 243 O GLY 32 -5.675 -4.212 5.602 1.00 0.00 ATOM 244 C GLY 32 -5.814 -3.071 6.036 1.00 0.00 ATOM 245 N ILE 33 -4.875 -2.127 5.897 1.00 0.00 ATOM 246 CA ILE 33 -3.589 -2.421 5.243 1.00 0.00 ATOM 247 CB ILE 33 -2.969 -1.162 4.610 1.00 0.00 ATOM 248 CG1 ILE 33 -3.941 -0.531 3.612 1.00 0.00 ATOM 249 CG2 ILE 33 -1.684 -1.514 3.875 1.00 0.00 ATOM 250 CD1 ILE 33 -3.531 0.847 3.146 1.00 0.00 ATOM 251 O ILE 33 -1.894 -2.282 6.951 1.00 0.00 ATOM 252 C ILE 33 -2.645 -3.000 6.293 1.00 0.00 ATOM 253 N THR 34 -2.749 -4.282 6.540 1.00 0.00 ATOM 254 CA THR 34 -2.069 -4.970 7.631 1.00 0.00 ATOM 255 CB THR 34 -2.985 -5.336 8.813 1.00 0.00 ATOM 256 CG2 THR 34 -3.671 -4.094 9.361 1.00 0.00 ATOM 257 OG1 THR 34 -3.988 -6.264 8.374 1.00 0.00 ATOM 258 O THR 34 -1.778 -6.770 6.070 1.00 0.00 ATOM 259 C THR 34 -1.427 -6.262 7.136 1.00 0.00 ATOM 260 N ARG 35 -0.419 -6.784 8.018 1.00 0.00 ATOM 261 CA ARG 35 0.328 -7.980 7.626 1.00 0.00 ATOM 262 CB ARG 35 0.667 -8.718 8.887 1.00 0.00 ATOM 263 CG ARG 35 1.982 -8.122 9.367 1.00 0.00 ATOM 264 CD ARG 35 2.692 -8.989 10.396 1.00 0.00 ATOM 265 NE ARG 35 3.879 -8.288 10.873 1.00 0.00 ATOM 266 CZ ARG 35 5.031 -8.852 11.218 1.00 0.00 ATOM 267 NH1 ARG 35 6.025 -8.079 11.635 1.00 0.00 ATOM 268 NH2 ARG 35 5.199 -10.164 11.147 1.00 0.00 ATOM 269 O ARG 35 -1.631 -9.396 7.714 1.00 0.00 ATOM 270 C ARG 35 -0.651 -9.031 7.054 1.00 0.00 ATOM 271 N GLY 36 -0.342 -9.528 5.843 1.00 0.00 ATOM 272 CA GLY 36 -1.168 -10.510 5.201 1.00 0.00 ATOM 273 O GLY 36 -3.187 -10.783 3.922 1.00 0.00 ATOM 274 C GLY 36 -2.433 -9.999 4.526 1.00 0.00 ATOM 275 N CYS 37 -2.686 -8.708 4.505 1.00 0.00 ATOM 276 CA CYS 37 -3.805 -8.116 3.796 1.00 0.00 ATOM 277 CB CYS 37 -4.097 -6.714 4.335 1.00 0.00 ATOM 278 SG CYS 37 -5.510 -5.894 3.560 1.00 0.00 ATOM 279 O CYS 37 -2.343 -8.086 1.856 1.00 0.00 ATOM 280 C CYS 37 -3.493 -8.094 2.275 1.00 0.00 ATOM 281 N GLU 38 -4.526 -8.077 1.512 1.00 0.00 ATOM 282 CA GLU 38 -4.439 -8.031 0.038 1.00 0.00 ATOM 283 CB GLU 38 -5.330 -9.045 -0.683 1.00 0.00 ATOM 284 CG GLU 38 -4.901 -10.492 -0.499 1.00 0.00 ATOM 285 CD GLU 38 -5.836 -11.468 -1.183 1.00 0.00 ATOM 286 OE1 GLU 38 -6.836 -11.016 -1.780 1.00 0.00 ATOM 287 OE2 GLU 38 -5.569 -12.687 -1.124 1.00 0.00 ATOM 288 O GLU 38 -5.987 -6.198 -0.221 1.00 0.00 ATOM 289 C GLU 38 -4.846 -6.653 -0.466 1.00 0.00 ATOM 290 N ILE 39 -4.006 -6.014 -1.191 1.00 0.00 ATOM 291 CA ILE 39 -4.233 -4.636 -1.628 1.00 0.00 ATOM 292 CB ILE 39 -3.525 -3.626 -0.705 1.00 0.00 ATOM 293 CG1 ILE 39 -2.015 -3.877 -0.703 1.00 0.00 ATOM 294 CG2 ILE 39 -4.038 -3.756 0.719 1.00 0.00 ATOM 295 CD1 ILE 39 -1.220 -2.801 0.005 1.00 0.00 ATOM 296 O ILE 39 -2.988 -5.400 -3.550 1.00 0.00 ATOM 297 C ILE 39 -3.677 -4.508 -3.053 1.00 0.00 ATOM 298 N TYR 40 -4.018 -3.391 -3.688 1.00 0.00 ATOM 299 CA TYR 40 -3.454 -3.090 -5.002 1.00 0.00 ATOM 300 CB TYR 40 -4.511 -2.593 -5.987 1.00 0.00 ATOM 301 CG TYR 40 -5.425 -3.743 -6.346 1.00 0.00 ATOM 302 CD1 TYR 40 -5.124 -4.579 -7.425 1.00 0.00 ATOM 303 CD2 TYR 40 -6.573 -4.023 -5.586 1.00 0.00 ATOM 304 CE1 TYR 40 -5.918 -5.670 -7.726 1.00 0.00 ATOM 305 CE2 TYR 40 -7.370 -5.113 -5.900 1.00 0.00 ATOM 306 CZ TYR 40 -7.038 -5.926 -6.961 1.00 0.00 ATOM 307 OH TYR 40 -7.825 -7.012 -7.276 1.00 0.00 ATOM 308 O TYR 40 -2.941 -0.964 -4.009 1.00 0.00 ATOM 309 C TYR 40 -2.635 -1.813 -4.856 1.00 0.00 ATOM 310 N ILE 41 -1.459 -1.773 -5.489 1.00 0.00 ATOM 311 CA ILE 41 -0.598 -0.602 -5.324 1.00 0.00 ATOM 312 CB ILE 41 0.689 -0.974 -4.565 1.00 0.00 ATOM 313 CG1 ILE 41 1.472 -2.041 -5.332 1.00 0.00 ATOM 314 CG2 ILE 41 0.354 -1.520 -3.185 1.00 0.00 ATOM 315 CD1 ILE 41 2.825 -2.352 -4.735 1.00 0.00 ATOM 316 O ILE 41 -0.151 -0.740 -7.677 1.00 0.00 ATOM 317 C ILE 41 -0.226 -0.017 -6.683 1.00 0.00 ATOM 318 N ARG 42 -0.061 1.300 -6.737 1.00 0.00 ATOM 319 CA ARG 42 0.296 1.959 -7.977 1.00 0.00 ATOM 320 CB ARG 42 -0.915 2.664 -8.592 1.00 0.00 ATOM 321 CG ARG 42 -2.011 1.720 -9.060 1.00 0.00 ATOM 322 CD ARG 42 -3.178 2.485 -9.664 1.00 0.00 ATOM 323 NE ARG 42 -4.261 1.595 -10.075 1.00 0.00 ATOM 324 CZ ARG 42 -5.428 2.011 -10.554 1.00 0.00 ATOM 325 NH1 ARG 42 -6.355 1.129 -10.903 1.00 0.00 ATOM 326 NH2 ARG 42 -5.667 3.309 -10.686 1.00 0.00 ATOM 327 O ARG 42 1.297 3.714 -6.696 1.00 0.00 ATOM 328 C ARG 42 1.371 2.989 -7.688 1.00 0.00 ATOM 329 N LYS 43 2.388 3.037 -8.541 1.00 0.00 ATOM 330 CA LYS 43 3.479 3.988 -8.364 1.00 0.00 ATOM 331 CB LYS 43 4.666 3.626 -9.258 1.00 0.00 ATOM 332 CG LYS 43 5.935 4.405 -8.953 1.00 0.00 ATOM 333 CD LYS 43 7.065 4.010 -9.889 1.00 0.00 ATOM 334 CE LYS 43 7.563 2.604 -9.592 1.00 0.00 ATOM 335 NZ LYS 43 8.666 2.201 -10.507 1.00 0.00 ATOM 336 O LYS 43 2.459 5.632 -9.801 1.00 0.00 ATOM 337 C LYS 43 3.049 5.401 -8.750 1.00 0.00 ATOM 338 N VAL 44 3.462 6.341 -7.905 1.00 0.00 ATOM 339 CA VAL 44 3.154 7.754 -8.114 1.00 0.00 ATOM 340 CB VAL 44 3.349 8.562 -6.818 1.00 0.00 ATOM 341 CG1 VAL 44 3.126 10.044 -7.075 1.00 0.00 ATOM 342 CG2 VAL 44 2.365 8.104 -5.752 1.00 0.00 ATOM 343 O VAL 44 3.615 9.238 -9.961 1.00 0.00 ATOM 344 C VAL 44 4.044 8.365 -9.204 1.00 0.00 ATOM 345 N ALA 45 5.260 7.834 -9.319 1.00 0.00 ATOM 346 CA ALA 45 6.220 8.359 -10.290 1.00 0.00 ATOM 347 CB ALA 45 7.427 7.438 -10.395 1.00 0.00 ATOM 348 O ALA 45 4.836 7.561 -12.082 1.00 0.00 ATOM 349 C ALA 45 5.575 8.453 -11.677 1.00 0.00 ATOM 350 N PRO 46 5.885 9.516 -12.441 1.00 0.00 ATOM 351 CA PRO 46 6.777 10.643 -12.147 1.00 0.00 ATOM 352 CB PRO 46 7.228 11.060 -13.540 1.00 0.00 ATOM 353 CG PRO 46 5.960 10.933 -14.310 1.00 0.00 ATOM 354 CD PRO 46 5.400 9.596 -13.829 1.00 0.00 ATOM 355 O PRO 46 6.785 12.838 -11.197 1.00 0.00 ATOM 356 C PRO 46 6.144 11.809 -11.390 1.00 0.00 ATOM 357 N LEU 47 4.893 11.653 -10.968 1.00 0.00 ATOM 358 CA LEU 47 4.208 12.711 -10.232 1.00 0.00 ATOM 359 CB LEU 47 2.716 12.374 -10.092 1.00 0.00 ATOM 360 CG LEU 47 1.957 11.997 -11.367 1.00 0.00 ATOM 361 CD1 LEU 47 0.488 11.787 -11.031 1.00 0.00 ATOM 362 CD2 LEU 47 2.113 13.089 -12.415 1.00 0.00 ATOM 363 O LEU 47 5.631 12.071 -8.397 1.00 0.00 ATOM 364 C LEU 47 4.774 12.844 -8.818 1.00 0.00 ATOM 365 N GLY 48 6.380 11.126 -7.865 1.00 0.00 ATOM 366 CA GLY 48 7.548 11.404 -7.066 1.00 0.00 ATOM 367 O GLY 48 8.772 10.662 -5.176 1.00 0.00 ATOM 368 C GLY 48 8.062 10.337 -6.137 1.00 0.00 ATOM 369 N ASP 49 7.942 8.953 -6.504 1.00 0.00 ATOM 370 CA ASP 49 8.454 7.877 -5.681 1.00 0.00 ATOM 371 CB ASP 49 9.650 8.355 -4.856 1.00 0.00 ATOM 372 CG ASP 49 10.897 8.551 -5.697 1.00 0.00 ATOM 373 OD1 ASP 49 10.894 8.126 -6.872 1.00 0.00 ATOM 374 OD2 ASP 49 11.876 9.131 -5.183 1.00 0.00 ATOM 375 O ASP 49 7.689 6.173 -4.159 1.00 0.00 ATOM 376 C ASP 49 7.458 7.268 -4.708 1.00 0.00 ATOM 377 N PRO 50 6.345 7.962 -4.482 1.00 0.00 ATOM 378 CA PRO 50 5.319 7.471 -3.565 1.00 0.00 ATOM 379 CB PRO 50 4.494 8.727 -3.249 1.00 0.00 ATOM 380 CG PRO 50 5.202 9.857 -3.919 1.00 0.00 ATOM 381 CD PRO 50 5.951 9.245 -5.088 1.00 0.00 ATOM 382 O PRO 50 4.688 5.968 -5.343 1.00 0.00 ATOM 383 C PRO 50 4.556 6.298 -4.165 1.00 0.00 ATOM 384 N ILE 51 3.729 5.691 -3.353 1.00 0.00 ATOM 385 CA ILE 51 2.930 4.557 -3.795 1.00 0.00 ATOM 386 CB ILE 51 3.487 3.227 -3.253 1.00 0.00 ATOM 387 CG1 ILE 51 2.711 2.045 -3.837 1.00 0.00 ATOM 388 CG2 ILE 51 3.369 3.180 -1.736 1.00 0.00 ATOM 389 CD1 ILE 51 3.365 0.705 -3.591 1.00 0.00 ATOM 390 O ILE 51 1.346 5.108 -2.100 1.00 0.00 ATOM 391 C ILE 51 1.512 4.761 -3.267 1.00 0.00 ATOM 392 N GLN 52 0.509 4.453 -4.076 1.00 0.00 ATOM 393 CA GLN 52 -0.864 4.585 -3.584 1.00 0.00 ATOM 394 CB GLN 52 -1.744 5.256 -4.641 1.00 0.00 ATOM 395 CG GLN 52 -1.360 6.695 -4.944 1.00 0.00 ATOM 396 CD GLN 52 -2.198 7.299 -6.054 1.00 0.00 ATOM 397 OE1 GLN 52 -3.150 6.683 -6.532 1.00 0.00 ATOM 398 NE2 GLN 52 -1.845 8.512 -6.466 1.00 0.00 ATOM 399 O GLN 52 -1.227 2.298 -4.087 1.00 0.00 ATOM 400 C GLN 52 -1.424 3.198 -3.280 1.00 0.00 ATOM 401 N ILE 53 -1.974 3.019 -2.095 1.00 0.00 ATOM 402 CA ILE 53 -2.562 1.720 -1.749 1.00 0.00 ATOM 403 CB ILE 53 -2.227 1.323 -0.300 1.00 0.00 ATOM 404 CG1 ILE 53 -0.712 1.191 -0.120 1.00 0.00 ATOM 405 CG2 ILE 53 -2.871 -0.009 0.049 1.00 0.00 ATOM 406 CD1 ILE 53 -0.280 1.042 1.322 1.00 0.00 ATOM 407 O ILE 53 -4.698 2.689 -1.248 1.00 0.00 ATOM 408 C ILE 53 -4.081 1.833 -1.884 1.00 0.00 ATOM 409 N ASN 54 -4.634 0.940 -2.708 1.00 0.00 ATOM 410 CA ASN 54 -6.092 0.951 -2.905 1.00 0.00 ATOM 411 CB ASN 54 -6.410 0.895 -4.399 1.00 0.00 ATOM 412 CG ASN 54 -7.896 0.973 -4.684 1.00 0.00 ATOM 413 ND2 ASN 54 -8.245 1.330 -5.913 1.00 0.00 ATOM 414 OD1 ASN 54 -8.719 0.715 -3.805 1.00 0.00 ATOM 415 O ASN 54 -6.261 -1.417 -2.465 1.00 0.00 ATOM 416 C ASN 54 -6.667 -0.275 -2.183 1.00 0.00 ATOM 417 N VAL 55 -7.527 -0.006 -1.195 1.00 0.00 ATOM 418 CA VAL 55 -8.091 -1.122 -0.403 1.00 0.00 ATOM 419 CB VAL 55 -7.218 -1.462 0.818 1.00 0.00 ATOM 420 CG1 VAL 55 -7.147 -0.277 1.770 1.00 0.00 ATOM 421 CG2 VAL 55 -7.793 -2.650 1.571 1.00 0.00 ATOM 422 O VAL 55 -9.799 0.327 0.470 1.00 0.00 ATOM 423 C VAL 55 -9.482 -0.805 0.100 1.00 0.00 ATOM 424 N ARG 56 -10.352 -1.814 0.104 1.00 0.00 ATOM 425 CA ARG 56 -11.721 -1.664 0.580 1.00 0.00 ATOM 426 CB ARG 56 -11.722 -1.412 2.090 1.00 0.00 ATOM 427 CG ARG 56 -11.161 -2.559 2.913 1.00 0.00 ATOM 428 CD ARG 56 -11.222 -2.255 4.400 1.00 0.00 ATOM 429 NE ARG 56 -10.536 -3.270 5.195 1.00 0.00 ATOM 430 CZ ARG 56 -10.413 -3.225 6.517 1.00 0.00 ATOM 431 NH1 ARG 56 -9.772 -4.194 7.157 1.00 0.00 ATOM 432 NH2 ARG 56 -10.932 -2.213 7.199 1.00 0.00 ATOM 433 O ARG 56 -13.346 0.094 0.549 1.00 0.00 ATOM 434 C ARG 56 -12.469 -0.504 -0.088 1.00 0.00 ATOM 435 N GLY 57 -12.188 -0.234 -1.378 1.00 0.00 ATOM 436 CA GLY 57 -12.860 0.832 -2.117 1.00 0.00 ATOM 437 O GLY 57 -12.903 3.237 -2.386 1.00 0.00 ATOM 438 C GLY 57 -12.318 2.230 -1.945 1.00 0.00 ATOM 439 N TYR 58 -11.205 2.381 -1.221 1.00 0.00 ATOM 440 CA TYR 58 -10.631 3.671 -0.884 1.00 0.00 ATOM 441 CB TYR 58 -10.619 3.872 0.633 1.00 0.00 ATOM 442 CG TYR 58 -11.988 3.791 1.272 1.00 0.00 ATOM 443 CD1 TYR 58 -12.363 2.678 2.014 1.00 0.00 ATOM 444 CD2 TYR 58 -12.901 4.828 1.131 1.00 0.00 ATOM 445 CE1 TYR 58 -13.611 2.596 2.602 1.00 0.00 ATOM 446 CE2 TYR 58 -14.154 4.764 1.710 1.00 0.00 ATOM 447 CZ TYR 58 -14.503 3.635 2.450 1.00 0.00 ATOM 448 OH TYR 58 -15.747 3.555 3.035 1.00 0.00 ATOM 449 O TYR 58 -8.425 2.812 -1.260 1.00 0.00 ATOM 450 C TYR 58 -9.194 3.783 -1.387 1.00 0.00 ATOM 451 N GLU 59 -8.672 5.516 -0.781 1.00 0.00 ATOM 452 CA GLU 59 -7.283 5.231 -1.085 1.00 0.00 ATOM 453 CB GLU 59 -6.881 5.877 -2.412 1.00 0.00 ATOM 454 CG GLU 59 -7.529 5.243 -3.632 1.00 0.00 ATOM 455 CD GLU 59 -7.148 5.941 -4.923 1.00 0.00 ATOM 456 OE1 GLU 59 -6.420 6.955 -4.859 1.00 0.00 ATOM 457 OE2 GLU 59 -7.576 5.475 -5.999 1.00 0.00 ATOM 458 O GLU 59 -6.661 6.811 0.646 1.00 0.00 ATOM 459 C GLU 59 -6.381 5.788 0.019 1.00 0.00 ATOM 460 N LEU 60 -5.288 5.081 0.287 1.00 0.00 ATOM 461 CA LEU 60 -4.304 5.585 1.262 1.00 0.00 ATOM 462 CB LEU 60 -4.086 4.557 2.374 1.00 0.00 ATOM 463 CG LEU 60 -3.042 4.918 3.433 1.00 0.00 ATOM 464 CD1 LEU 60 -3.473 6.149 4.216 1.00 0.00 ATOM 465 CD2 LEU 60 -2.855 3.772 4.416 1.00 0.00 ATOM 466 O LEU 60 -2.366 4.867 0.005 1.00 0.00 ATOM 467 C LEU 60 -3.010 5.808 0.474 1.00 0.00 ATOM 468 N SER 61 -2.631 7.076 0.368 1.00 0.00 ATOM 469 CA SER 61 -1.407 7.374 -0.398 1.00 0.00 ATOM 470 CB SER 61 -1.574 8.692 -1.158 1.00 0.00 ATOM 471 OG SER 61 -0.377 9.047 -1.831 1.00 0.00 ATOM 472 O SER 61 -0.324 8.140 1.585 1.00 0.00 ATOM 473 C SER 61 -0.216 7.499 0.538 1.00 0.00 ATOM 474 N LEU 62 0.876 6.808 0.223 1.00 0.00 ATOM 475 CA LEU 62 2.041 6.901 1.089 1.00 0.00 ATOM 476 CB LEU 62 2.609 5.506 1.365 1.00 0.00 ATOM 477 CG LEU 62 1.668 4.516 2.051 1.00 0.00 ATOM 478 CD1 LEU 62 2.328 3.152 2.187 1.00 0.00 ATOM 479 CD2 LEU 62 1.296 5.003 3.443 1.00 0.00 ATOM 480 O LEU 62 3.612 7.357 -0.621 1.00 0.00 ATOM 481 C LEU 62 3.145 7.739 0.445 1.00 0.00 ATOM 482 N ARG 63 3.645 8.730 1.162 1.00 0.00 ATOM 483 CA ARG 63 4.821 9.454 0.678 1.00 0.00 ATOM 484 CB ARG 63 5.231 10.542 1.674 1.00 0.00 ATOM 485 CG ARG 63 4.235 11.685 1.788 1.00 0.00 ATOM 486 CD ARG 63 4.655 12.676 2.861 1.00 0.00 ATOM 487 NE ARG 63 4.625 12.086 4.196 1.00 0.00 ATOM 488 CZ ARG 63 5.162 12.647 5.273 1.00 0.00 ATOM 489 NH1 ARG 63 5.087 12.034 6.448 1.00 0.00 ATOM 490 NH2 ARG 63 5.776 13.818 5.176 1.00 0.00 ATOM 491 O ARG 63 5.888 7.336 1.111 1.00 0.00 ATOM 492 C ARG 63 5.934 8.422 0.519 1.00 0.00 ATOM 493 N LYS 64 6.986 8.741 -0.259 1.00 0.00 ATOM 494 CA LYS 64 8.085 7.835 -0.511 1.00 0.00 ATOM 495 CB LYS 64 9.213 9.078 -1.091 1.00 0.00 ATOM 496 CG LYS 64 8.592 10.407 -1.508 1.00 0.00 ATOM 497 CD LYS 64 9.629 11.493 -1.723 1.00 0.00 ATOM 498 CE LYS 64 8.995 12.778 -2.233 1.00 0.00 ATOM 499 NZ LYS 64 10.005 13.888 -2.289 1.00 0.00 ATOM 500 O LYS 64 9.100 6.200 0.906 1.00 0.00 ATOM 501 C LYS 64 8.728 7.355 0.783 1.00 0.00 ATOM 502 N SER 65 8.935 8.227 1.780 1.00 0.00 ATOM 503 CA SER 65 9.552 7.832 3.035 1.00 0.00 ATOM 504 CB SER 65 9.712 9.052 3.946 1.00 0.00 ATOM 505 OG SER 65 8.452 9.571 4.331 1.00 0.00 ATOM 506 O SER 65 9.296 6.057 4.625 1.00 0.00 ATOM 507 C SER 65 8.725 6.802 3.804 1.00 0.00 ATOM 508 N ALA 66 7.414 6.770 3.602 1.00 0.00 ATOM 509 CA ALA 66 6.581 5.765 4.273 1.00 0.00 ATOM 510 CB ALA 66 5.167 6.290 4.466 1.00 0.00 ATOM 511 O ALA 66 6.412 3.383 4.058 1.00 0.00 ATOM 512 C ALA 66 6.486 4.476 3.480 1.00 0.00 ATOM 513 N ALA 67 6.517 4.610 2.152 1.00 0.00 ATOM 514 CA ALA 67 6.567 3.463 1.262 1.00 0.00 ATOM 515 CB ALA 67 6.536 3.886 -0.197 1.00 0.00 ATOM 516 O ALA 67 7.773 1.398 1.523 1.00 0.00 ATOM 517 C ALA 67 7.807 2.631 1.563 1.00 0.00 ATOM 518 N GLU 68 8.947 3.243 1.915 1.00 0.00 ATOM 519 CA GLU 68 10.131 2.505 2.319 1.00 0.00 ATOM 520 CB GLU 68 11.270 3.467 2.668 1.00 0.00 ATOM 521 CG GLU 68 12.582 2.779 3.005 1.00 0.00 ATOM 522 CD GLU 68 13.710 3.761 3.249 1.00 0.00 ATOM 523 OE1 GLU 68 13.469 4.981 3.133 1.00 0.00 ATOM 524 OE2 GLU 68 14.834 3.313 3.554 1.00 0.00 ATOM 525 O GLU 68 10.600 0.634 3.754 1.00 0.00 ATOM 526 C GLU 68 9.884 1.622 3.556 1.00 0.00 ATOM 527 N MET 69 8.940 2.020 4.402 1.00 0.00 ATOM 528 CA MET 69 8.639 1.319 5.643 1.00 0.00 ATOM 529 CB MET 69 8.374 2.267 6.805 1.00 0.00 ATOM 530 CG MET 69 9.658 3.020 7.112 1.00 0.00 ATOM 531 SD MET 69 9.578 4.267 8.392 1.00 0.00 ATOM 532 CE MET 69 8.849 5.630 7.470 1.00 0.00 ATOM 533 O MET 69 7.133 -0.347 6.504 1.00 0.00 ATOM 534 C MET 69 7.613 0.198 5.496 1.00 0.00 ATOM 535 N ILE 70 7.208 -0.141 4.276 1.00 0.00 ATOM 536 CA ILE 70 6.219 -1.220 4.095 1.00 0.00 ATOM 537 CB ILE 70 4.840 -0.747 3.539 1.00 0.00 ATOM 538 CG1 ILE 70 4.243 0.432 4.378 1.00 0.00 ATOM 539 CG2 ILE 70 3.846 -1.941 3.465 1.00 0.00 ATOM 540 CD1 ILE 70 3.011 1.010 3.788 1.00 0.00 ATOM 541 O ILE 70 7.287 -2.041 2.109 1.00 0.00 ATOM 542 C ILE 70 6.824 -2.309 3.217 1.00 0.00 ATOM 543 N GLU 71 6.818 -3.533 3.705 1.00 0.00 ATOM 544 CA GLU 71 7.356 -4.657 2.955 1.00 0.00 ATOM 545 CB GLU 71 8.575 -5.251 3.664 1.00 0.00 ATOM 546 CG GLU 71 9.712 -4.238 3.803 1.00 0.00 ATOM 547 CD GLU 71 10.967 -4.760 4.459 1.00 0.00 ATOM 548 OE1 GLU 71 11.635 -3.966 5.165 1.00 0.00 ATOM 549 OE2 GLU 71 11.324 -5.926 4.254 1.00 0.00 ATOM 550 O GLU 71 5.375 -5.922 3.457 1.00 0.00 ATOM 551 C GLU 71 6.186 -5.585 2.600 1.00 0.00 ATOM 552 N VAL 72 6.162 -5.966 1.243 1.00 0.00 ATOM 553 CA VAL 72 5.020 -6.780 0.878 1.00 0.00 ATOM 554 CB VAL 72 4.052 -6.004 -0.034 1.00 0.00 ATOM 555 CG1 VAL 72 3.497 -4.787 0.691 1.00 0.00 ATOM 556 CG2 VAL 72 4.767 -5.530 -1.289 1.00 0.00 ATOM 557 O VAL 72 6.650 -8.137 -0.266 1.00 0.00 ATOM 558 C VAL 72 5.482 -7.992 0.074 1.00 0.00 ATOM 559 N GLU 73 4.497 -8.784 -0.185 1.00 0.00 ATOM 560 CA GLU 73 4.668 -9.959 -1.017 1.00 0.00 ATOM 561 CB GLU 73 3.969 -11.157 -0.370 1.00 0.00 ATOM 562 CG GLU 73 4.621 -11.632 0.918 1.00 0.00 ATOM 563 CD GLU 73 3.774 -12.651 1.656 1.00 0.00 ATOM 564 OE1 GLU 73 2.659 -12.953 1.181 1.00 0.00 ATOM 565 OE2 GLU 73 4.227 -13.148 2.710 1.00 0.00 ATOM 566 O GLU 73 2.921 -9.183 -2.460 1.00 0.00 ATOM 567 C GLU 73 4.059 -9.673 -2.390 1.00 0.00 TER END