PFRMAT TS TARGET T0495 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 T0495 model 5 Thu Jul 10 14:00:04 2008 MODEL 5 PARENT N/A ATOM 2 N THR 4 2.452 17.663 3.161 1.00 0.00 ATOM 3 CA THR 4 3.127 18.479 2.159 1.00 0.00 ATOM 4 CB THR 4 3.894 19.647 2.805 1.00 0.00 ATOM 5 CG2 THR 4 4.550 20.510 1.737 1.00 0.00 ATOM 6 OG1 THR 4 2.987 20.457 3.563 1.00 0.00 ATOM 7 O THR 4 4.933 16.899 2.049 1.00 0.00 ATOM 8 C THR 4 4.099 17.559 1.430 1.00 0.00 ATOM 9 N LEU 5 3.964 17.504 0.112 1.00 0.00 ATOM 10 CA LEU 5 4.792 16.646 -0.722 1.00 0.00 ATOM 11 CB LEU 5 4.265 16.624 -2.157 1.00 0.00 ATOM 12 CG LEU 5 5.002 15.707 -3.136 1.00 0.00 ATOM 13 CD1 LEU 5 4.834 14.250 -2.736 1.00 0.00 ATOM 14 CD2 LEU 5 4.459 15.879 -4.547 1.00 0.00 ATOM 15 O LEU 5 6.569 18.173 -1.267 1.00 0.00 ATOM 16 C LEU 5 6.254 17.073 -0.804 1.00 0.00 ATOM 17 N ASP 6 7.126 16.213 -0.283 1.00 0.00 ATOM 18 CA ASP 6 8.571 16.418 -0.325 1.00 0.00 ATOM 19 CB ASP 6 9.209 16.007 1.004 1.00 0.00 ATOM 20 CG ASP 6 10.708 16.231 1.023 1.00 0.00 ATOM 21 OD1 ASP 6 11.268 16.605 -0.028 1.00 0.00 ATOM 22 OD2 ASP 6 11.324 16.031 2.092 1.00 0.00 ATOM 23 O ASP 6 9.168 14.308 -1.313 1.00 0.00 ATOM 24 C ASP 6 8.994 15.514 -1.481 1.00 0.00 ATOM 25 N LEU 7 9.128 16.113 -2.658 1.00 0.00 ATOM 26 CA LEU 7 9.470 15.392 -3.883 1.00 0.00 ATOM 27 CB LEU 7 9.826 16.374 -5.001 1.00 0.00 ATOM 28 CG LEU 7 8.671 17.200 -5.570 1.00 0.00 ATOM 29 CD1 LEU 7 9.187 18.245 -6.547 1.00 0.00 ATOM 30 CD2 LEU 7 7.683 16.309 -6.305 1.00 0.00 ATOM 31 O LEU 7 10.620 13.349 -4.396 1.00 0.00 ATOM 32 C LEU 7 10.659 14.428 -3.802 1.00 0.00 ATOM 33 N GLN 8 11.697 14.797 -3.052 1.00 0.00 ATOM 34 CA GLN 8 12.867 13.939 -2.896 1.00 0.00 ATOM 35 CB GLN 8 13.974 14.676 -2.138 1.00 0.00 ATOM 36 CG GLN 8 14.618 15.805 -2.925 1.00 0.00 ATOM 37 CD GLN 8 15.630 16.582 -2.105 1.00 0.00 ATOM 38 OE1 GLN 8 15.786 16.346 -0.907 1.00 0.00 ATOM 39 NE2 GLN 8 16.321 17.514 -2.750 1.00 0.00 ATOM 40 O GLN 8 12.898 11.575 -2.482 1.00 0.00 ATOM 41 C GLN 8 12.501 12.682 -2.117 1.00 0.00 ATOM 42 N PRO 9 11.749 12.878 -1.039 1.00 0.00 ATOM 43 CA PRO 9 11.301 11.796 -0.172 1.00 0.00 ATOM 44 CB PRO 9 10.599 12.514 0.983 1.00 0.00 ATOM 45 CG PRO 9 11.228 13.867 1.017 1.00 0.00 ATOM 46 CD PRO 9 11.496 14.240 -0.413 1.00 0.00 ATOM 47 O PRO 9 10.473 9.672 -0.896 1.00 0.00 ATOM 48 C PRO 9 10.356 10.896 -0.948 1.00 0.00 ATOM 49 N GLY 10 9.424 11.516 -1.667 1.00 0.00 ATOM 50 CA GLY 10 8.450 10.781 -2.463 1.00 0.00 ATOM 51 O GLY 10 8.730 8.839 -3.828 1.00 0.00 ATOM 52 C GLY 10 9.129 9.965 -3.559 1.00 0.00 ATOM 53 N GLN 11 10.180 10.525 -4.156 1.00 0.00 ATOM 54 CA GLN 11 10.925 9.850 -5.218 1.00 0.00 ATOM 55 CB GLN 11 12.011 10.771 -5.778 1.00 0.00 ATOM 56 CG GLN 11 12.763 10.193 -6.967 1.00 0.00 ATOM 57 CD GLN 11 11.868 9.971 -8.169 1.00 0.00 ATOM 58 OE1 GLN 11 11.076 10.838 -8.535 1.00 0.00 ATOM 59 NE2 GLN 11 11.993 8.802 -8.789 1.00 0.00 ATOM 60 O GLN 11 11.610 7.570 -5.404 1.00 0.00 ATOM 61 C GLN 11 11.605 8.587 -4.716 1.00 0.00 ATOM 62 N ARG 12 12.191 8.665 -3.522 1.00 0.00 ATOM 63 CA ARG 12 12.881 7.533 -2.907 1.00 0.00 ATOM 64 CB ARG 12 13.440 7.925 -1.537 1.00 0.00 ATOM 65 CG ARG 12 14.617 8.886 -1.599 1.00 0.00 ATOM 66 CD ARG 12 15.091 9.269 -0.207 1.00 0.00 ATOM 67 NE ARG 12 16.191 10.229 -0.249 1.00 0.00 ATOM 68 CZ ARG 12 16.750 10.769 0.828 1.00 0.00 ATOM 69 NH1 ARG 12 17.747 11.635 0.694 1.00 0.00 ATOM 70 NH2 ARG 12 16.316 10.443 2.038 1.00 0.00 ATOM 71 O ARG 12 12.250 5.217 -3.092 1.00 0.00 ATOM 72 C ARG 12 11.932 6.348 -2.710 1.00 0.00 ATOM 73 N LEU 13 10.756 6.627 -2.143 1.00 0.00 ATOM 74 CA LEU 13 9.726 5.617 -1.894 1.00 0.00 ATOM 75 CB LEU 13 8.488 6.259 -1.265 1.00 0.00 ATOM 76 CG LEU 13 8.638 6.752 0.175 1.00 0.00 ATOM 77 CD1 LEU 13 7.406 7.536 0.606 1.00 0.00 ATOM 78 CD2 LEU 13 8.815 5.581 1.129 1.00 0.00 ATOM 79 O LEU 13 9.258 3.704 -3.266 1.00 0.00 ATOM 80 C LEU 13 9.297 4.932 -3.187 1.00 0.00 ATOM 81 N ALA 14 8.977 5.738 -4.199 1.00 0.00 ATOM 82 CA ALA 14 8.556 5.235 -5.500 1.00 0.00 ATOM 83 CB ALA 14 8.287 6.389 -6.454 1.00 0.00 ATOM 84 O ALA 14 9.388 3.263 -6.573 1.00 0.00 ATOM 85 C ALA 14 9.657 4.353 -6.081 1.00 0.00 ATOM 86 N ARG 15 10.897 4.833 -5.992 1.00 0.00 ATOM 87 CA ARG 15 12.063 4.110 -6.492 1.00 0.00 ATOM 88 CB ARG 15 13.338 4.923 -6.260 1.00 0.00 ATOM 89 CG ARG 15 13.459 6.154 -7.142 1.00 0.00 ATOM 90 CD ARG 15 14.702 6.960 -6.800 1.00 0.00 ATOM 91 NE ARG 15 14.820 8.160 -7.623 1.00 0.00 ATOM 92 CZ ARG 15 15.754 9.091 -7.455 1.00 0.00 ATOM 93 NH1 ARG 15 15.784 10.150 -8.253 1.00 0.00 ATOM 94 NH2 ARG 15 16.653 8.962 -6.490 1.00 0.00 ATOM 95 O ARG 15 12.774 1.819 -6.323 1.00 0.00 ATOM 96 C ARG 15 12.208 2.769 -5.779 1.00 0.00 ATOM 97 N GLY 16 11.717 2.714 -4.546 1.00 0.00 ATOM 98 CA GLY 16 11.763 1.479 -3.785 1.00 0.00 ATOM 99 O GLY 16 10.815 -0.638 -4.341 1.00 0.00 ATOM 100 C GLY 16 10.644 0.575 -4.267 1.00 0.00 ATOM 101 N VAL 17 9.498 1.176 -4.593 1.00 0.00 ATOM 102 CA VAL 17 8.344 0.436 -5.097 1.00 0.00 ATOM 103 CB VAL 17 7.110 1.347 -5.244 1.00 0.00 ATOM 104 CG1 VAL 17 5.982 0.606 -5.946 1.00 0.00 ATOM 105 CG2 VAL 17 6.614 1.796 -3.879 1.00 0.00 ATOM 106 O VAL 17 8.356 -1.290 -6.758 1.00 0.00 ATOM 107 C VAL 17 8.691 -0.144 -6.463 1.00 0.00 ATOM 108 N ALA 18 9.382 0.647 -7.281 1.00 0.00 ATOM 109 CA ALA 18 9.791 0.211 -8.617 1.00 0.00 ATOM 110 CB ALA 18 10.518 1.333 -9.342 1.00 0.00 ATOM 111 O ALA 18 10.575 -1.945 -9.303 1.00 0.00 ATOM 112 C ALA 18 10.728 -0.991 -8.545 1.00 0.00 ATOM 113 N ARG 19 11.691 -0.937 -7.628 1.00 0.00 ATOM 114 CA ARG 19 12.646 -2.025 -7.435 1.00 0.00 ATOM 115 CB ARG 19 13.701 -1.635 -6.397 1.00 0.00 ATOM 116 CG ARG 19 14.684 -0.579 -6.878 1.00 0.00 ATOM 117 CD ARG 19 15.655 -0.187 -5.776 1.00 0.00 ATOM 118 NE ARG 19 16.588 0.848 -6.213 1.00 0.00 ATOM 119 CZ ARG 19 17.492 1.420 -5.426 1.00 0.00 ATOM 120 NH1 ARG 19 18.301 2.353 -5.910 1.00 0.00 ATOM 121 NH2 ARG 19 17.586 1.059 -4.153 1.00 0.00 ATOM 122 O ARG 19 12.185 -4.375 -7.381 1.00 0.00 ATOM 123 C ARG 19 11.898 -3.264 -6.948 1.00 0.00 ATOM 124 N HIS 20 10.922 -3.055 -6.066 1.00 0.00 ATOM 125 CA HIS 20 10.128 -4.151 -5.542 1.00 0.00 ATOM 126 CB HIS 20 9.147 -3.644 -4.484 1.00 0.00 ATOM 127 CG HIS 20 9.803 -3.223 -3.205 1.00 0.00 ATOM 128 CD2 HIS 20 11.118 -3.399 -2.606 1.00 0.00 ATOM 129 ND1 HIS 20 9.151 -2.482 -2.243 1.00 0.00 ATOM 130 CE1 HIS 20 9.993 -2.261 -1.218 1.00 0.00 ATOM 131 NE2 HIS 20 11.175 -2.808 -1.428 1.00 0.00 ATOM 132 O HIS 20 9.110 -6.012 -6.649 1.00 0.00 ATOM 133 C HIS 20 9.338 -4.803 -6.658 1.00 0.00 ATOM 134 N LEU 21 8.917 -3.989 -7.622 1.00 0.00 ATOM 135 CA LEU 21 8.166 -4.469 -8.780 1.00 0.00 ATOM 136 CB LEU 21 7.492 -3.302 -9.504 1.00 0.00 ATOM 137 CG LEU 21 6.416 -2.549 -8.718 1.00 0.00 ATOM 138 CD1 LEU 21 5.902 -1.359 -9.515 1.00 0.00 ATOM 139 CD2 LEU 21 5.236 -3.460 -8.413 1.00 0.00 ATOM 140 O LEU 21 8.643 -5.983 -10.574 1.00 0.00 ATOM 141 C LEU 21 9.092 -5.176 -9.766 1.00 0.00 ATOM 142 N ARG 22 10.387 -4.883 -9.671 1.00 0.00 ATOM 143 CA ARG 22 11.392 -5.484 -10.540 1.00 0.00 ATOM 144 CB ARG 22 12.684 -4.665 -10.513 1.00 0.00 ATOM 145 CG ARG 22 12.575 -3.313 -11.200 1.00 0.00 ATOM 146 CD ARG 22 13.860 -2.513 -11.053 1.00 0.00 ATOM 147 NE ARG 22 13.789 -1.231 -11.750 1.00 0.00 ATOM 148 CZ ARG 22 14.719 -0.285 -11.669 1.00 0.00 ATOM 149 NH1 ARG 22 14.570 0.850 -12.338 1.00 0.00 ATOM 150 NH2 ARG 22 15.797 -0.477 -10.920 1.00 0.00 ATOM 151 O ARG 22 11.967 -7.797 -10.934 1.00 0.00 ATOM 152 C ARG 22 11.731 -6.913 -10.100 1.00 0.00 ATOM 153 N ALA 23 11.735 -7.133 -8.788 1.00 0.00 ATOM 154 CA ALA 23 12.027 -8.443 -8.207 1.00 0.00 ATOM 155 CB ALA 23 12.399 -8.301 -6.739 1.00 0.00 ATOM 156 O ALA 23 10.984 -10.608 -8.216 1.00 0.00 ATOM 157 C ALA 23 10.830 -9.389 -8.292 1.00 0.00 ATOM 158 N HIS 24 9.635 -8.824 -8.425 1.00 0.00 ATOM 159 CA HIS 24 8.418 -9.621 -8.519 1.00 0.00 ATOM 160 CB HIS 24 7.261 -8.917 -7.807 1.00 0.00 ATOM 161 CG HIS 24 7.436 -8.816 -6.324 1.00 0.00 ATOM 162 CD2 HIS 24 8.258 -9.488 -5.327 1.00 0.00 ATOM 163 ND1 HIS 24 6.729 -7.921 -5.550 1.00 0.00 ATOM 164 CE1 HIS 24 7.102 -8.063 -4.265 1.00 0.00 ATOM 165 NE2 HIS 24 8.017 -9.002 -4.124 1.00 0.00 ATOM 166 O HIS 24 7.186 -10.791 -10.218 1.00 0.00 ATOM 167 C HIS 24 7.963 -9.875 -9.961 1.00 0.00 ATOM 168 N GLY 25 8.462 -9.075 -10.900 1.00 0.00 ATOM 169 CA GLY 25 8.099 -9.259 -12.295 1.00 0.00 ATOM 170 O GLY 25 6.328 -8.844 -13.846 1.00 0.00 ATOM 171 C GLY 25 6.851 -8.539 -12.772 1.00 0.00 ATOM 172 N PHE 26 6.350 -7.606 -11.969 1.00 0.00 ATOM 173 CA PHE 26 5.169 -6.842 -12.346 1.00 0.00 ATOM 174 CB PHE 26 4.142 -6.849 -11.212 1.00 0.00 ATOM 175 CG PHE 26 3.573 -8.208 -10.917 1.00 0.00 ATOM 176 CD1 PHE 26 4.115 -8.999 -9.919 1.00 0.00 ATOM 177 CD2 PHE 26 2.497 -8.695 -11.638 1.00 0.00 ATOM 178 CE1 PHE 26 3.591 -10.250 -9.649 1.00 0.00 ATOM 179 CE2 PHE 26 1.974 -9.945 -11.368 1.00 0.00 ATOM 180 CZ PHE 26 2.517 -10.722 -10.378 1.00 0.00 ATOM 181 O PHE 26 6.631 -4.944 -12.233 1.00 0.00 ATOM 182 C PHE 26 5.566 -5.403 -12.642 1.00 0.00 ATOM 183 N VAL 27 4.716 -4.702 -13.374 1.00 0.00 ATOM 184 CA VAL 27 4.995 -3.323 -13.738 1.00 0.00 ATOM 185 CB VAL 27 4.591 -3.032 -15.195 1.00 0.00 ATOM 186 CG1 VAL 27 4.822 -1.566 -15.528 1.00 0.00 ATOM 187 CG2 VAL 27 5.413 -3.877 -16.155 1.00 0.00 ATOM 188 O VAL 27 3.130 -2.579 -12.424 1.00 0.00 ATOM 189 C VAL 27 4.248 -2.320 -12.868 1.00 0.00 ATOM 190 N SER 28 4.903 -1.194 -12.590 1.00 0.00 ATOM 191 CA SER 28 4.297 -0.107 -11.819 1.00 0.00 ATOM 192 CB SER 28 5.378 0.739 -11.144 1.00 0.00 ATOM 193 OG SER 28 4.807 1.828 -10.439 1.00 0.00 ATOM 194 O SER 28 4.146 1.355 -13.718 1.00 0.00 ATOM 195 C SER 28 3.539 0.652 -12.914 1.00 0.00 ATOM 196 N VAL 29 2.223 0.473 -12.976 1.00 0.00 ATOM 197 CA VAL 29 1.425 1.112 -14.022 1.00 0.00 ATOM 198 CB VAL 29 0.312 0.179 -14.532 1.00 0.00 ATOM 199 CG1 VAL 29 0.907 -1.107 -15.086 1.00 0.00 ATOM 200 CG2 VAL 29 -0.641 -0.181 -13.403 1.00 0.00 ATOM 201 O VAL 29 0.100 3.037 -14.534 1.00 0.00 ATOM 202 C VAL 29 0.690 2.401 -13.664 1.00 0.00 ATOM 203 N GLU 30 0.722 2.782 -12.392 1.00 0.00 ATOM 204 CA GLU 30 0.046 3.994 -11.983 1.00 0.00 ATOM 205 CB GLU 30 -1.420 3.964 -12.419 1.00 0.00 ATOM 206 CG GLU 30 -2.229 2.833 -11.802 1.00 0.00 ATOM 207 CD GLU 30 -3.642 2.766 -12.342 1.00 0.00 ATOM 208 OE1 GLU 30 -3.982 3.585 -13.223 1.00 0.00 ATOM 209 OE2 GLU 30 -4.412 1.895 -11.886 1.00 0.00 ATOM 210 O GLU 30 0.460 3.321 -9.731 1.00 0.00 ATOM 211 C GLU 30 0.059 4.204 -10.488 1.00 0.00 ATOM 212 N GLU 31 -0.388 5.387 -10.075 1.00 0.00 ATOM 213 CA GLU 31 -0.432 5.735 -8.668 1.00 0.00 ATOM 214 CB GLU 31 0.962 5.634 -8.047 1.00 0.00 ATOM 215 CG GLU 31 2.006 6.511 -8.719 1.00 0.00 ATOM 216 CD GLU 31 3.402 6.274 -8.176 1.00 0.00 ATOM 217 OE1 GLU 31 3.556 5.410 -7.287 1.00 0.00 ATOM 218 OE2 GLU 31 4.343 6.953 -8.640 1.00 0.00 ATOM 219 O GLU 31 -0.997 7.929 -9.413 1.00 0.00 ATOM 220 C GLU 31 -0.932 7.149 -8.464 1.00 0.00 ATOM 221 N PHE 32 -1.275 7.487 -7.227 1.00 0.00 ATOM 222 CA PHE 32 -1.778 8.817 -6.919 1.00 0.00 ATOM 223 CB PHE 32 -3.279 8.769 -6.629 1.00 0.00 ATOM 224 CG PHE 32 -4.106 8.292 -7.786 1.00 0.00 ATOM 225 CD1 PHE 32 -4.436 6.954 -7.915 1.00 0.00 ATOM 226 CD2 PHE 32 -4.554 9.180 -8.749 1.00 0.00 ATOM 227 CE1 PHE 32 -5.198 6.514 -8.981 1.00 0.00 ATOM 228 CE2 PHE 32 -5.316 8.740 -9.815 1.00 0.00 ATOM 229 CZ PHE 32 -5.638 7.413 -9.933 1.00 0.00 ATOM 230 O PHE 32 -0.718 8.759 -4.767 1.00 0.00 ATOM 231 C PHE 32 -1.110 9.445 -5.708 1.00 0.00 ATOM 232 N VAL 33 -0.981 10.765 -5.756 1.00 0.00 ATOM 233 CA VAL 33 -0.388 11.532 -4.676 1.00 0.00 ATOM 234 CB VAL 33 0.847 12.319 -5.155 1.00 0.00 ATOM 235 CG1 VAL 33 1.624 12.864 -3.967 1.00 0.00 ATOM 236 CG2 VAL 33 1.771 11.419 -5.963 1.00 0.00 ATOM 237 O VAL 33 -2.117 13.166 -4.975 1.00 0.00 ATOM 238 C VAL 33 -1.455 12.497 -4.184 1.00 0.00 ATOM 239 N PRO 34 -2.975 16.155 2.379 1.00 0.00 ATOM 240 CA PRO 34 -3.925 16.377 3.456 1.00 0.00 ATOM 241 CB PRO 34 -4.446 14.976 3.782 1.00 0.00 ATOM 242 CG PRO 34 -3.306 14.069 3.463 1.00 0.00 ATOM 243 CD PRO 34 -2.640 14.648 2.247 1.00 0.00 ATOM 244 O PRO 34 -2.733 16.349 5.551 1.00 0.00 ATOM 245 C PRO 34 -3.107 17.016 4.585 1.00 0.00 ATOM 246 N ALA 35 -2.826 18.329 4.476 1.00 0.00 ATOM 247 CA ALA 35 -2.049 19.094 5.460 1.00 0.00 ATOM 248 CB ALA 35 -2.190 20.586 5.203 1.00 0.00 ATOM 249 O ALA 35 -1.562 18.589 7.754 1.00 0.00 ATOM 250 C ALA 35 -2.422 18.905 6.931 1.00 0.00 ATOM 251 N ARG 36 1.134 14.875 10.310 1.00 0.00 ATOM 252 CA ARG 36 2.067 15.728 11.056 1.00 0.00 ATOM 253 CB ARG 36 2.176 15.259 12.509 1.00 0.00 ATOM 254 CG ARG 36 3.025 16.162 13.389 1.00 0.00 ATOM 255 CD ARG 36 3.087 15.641 14.816 1.00 0.00 ATOM 256 NE ARG 36 1.771 15.619 15.449 1.00 0.00 ATOM 257 CZ ARG 36 1.192 16.678 16.006 1.00 0.00 ATOM 258 NH1 ARG 36 -0.008 16.565 16.557 1.00 0.00 ATOM 259 NH2 ARG 36 1.815 17.849 16.010 1.00 0.00 ATOM 260 O ARG 36 4.018 14.619 10.207 1.00 0.00 ATOM 261 C ARG 36 3.465 15.694 10.444 1.00 0.00 ATOM 262 N GLY 37 4.048 16.873 10.239 1.00 0.00 ATOM 263 CA GLY 37 5.391 16.972 9.693 1.00 0.00 ATOM 264 O GLY 37 4.792 16.389 7.452 1.00 0.00 ATOM 265 C GLY 37 5.637 16.329 8.343 1.00 0.00 ATOM 266 N LEU 38 6.807 15.706 8.203 1.00 0.00 ATOM 267 CA LEU 38 7.213 15.042 6.964 1.00 0.00 ATOM 268 CB LEU 38 8.704 14.699 7.004 1.00 0.00 ATOM 269 CG LEU 38 9.672 15.883 7.033 1.00 0.00 ATOM 270 CD1 LEU 38 11.106 15.401 7.191 1.00 0.00 ATOM 271 CD2 LEU 38 9.578 16.684 5.744 1.00 0.00 ATOM 272 O LEU 38 6.568 13.181 5.583 1.00 0.00 ATOM 273 C LEU 38 6.471 13.727 6.684 1.00 0.00 ATOM 274 N ARG 39 5.724 13.241 7.676 1.00 0.00 ATOM 275 CA ARG 39 4.972 11.987 7.579 1.00 0.00 ATOM 276 CB ARG 39 3.971 11.872 8.731 1.00 0.00 ATOM 277 CG ARG 39 3.368 10.486 8.893 1.00 0.00 ATOM 278 CD ARG 39 2.467 10.415 10.115 1.00 0.00 ATOM 279 NE ARG 39 1.176 11.059 9.880 1.00 0.00 ATOM 280 CZ ARG 39 0.242 11.225 10.811 1.00 0.00 ATOM 281 NH1 ARG 39 -0.900 11.822 10.507 1.00 0.00 ATOM 282 NH2 ARG 39 0.456 10.791 12.046 1.00 0.00 ATOM 283 O ARG 39 3.460 12.655 5.836 1.00 0.00 ATOM 284 C ARG 39 4.143 11.757 6.324 1.00 0.00 ATOM 285 N VAL 40 4.194 10.519 5.836 1.00 0.00 ATOM 286 CA VAL 40 3.453 10.080 4.656 1.00 0.00 ATOM 287 CB VAL 40 4.337 10.103 3.394 1.00 0.00 ATOM 288 CG1 VAL 40 4.787 11.524 3.085 1.00 0.00 ATOM 289 CG2 VAL 40 5.574 9.241 3.593 1.00 0.00 ATOM 290 O VAL 40 3.559 7.874 5.615 1.00 0.00 ATOM 291 C VAL 40 2.953 8.648 4.870 1.00 0.00 ATOM 292 N ASP 41 1.835 8.309 4.234 1.00 0.00 ATOM 293 CA ASP 41 1.264 6.964 4.336 1.00 0.00 ATOM 294 CB ASP 41 -0.077 7.005 5.072 1.00 0.00 ATOM 295 CG ASP 41 0.069 7.413 6.525 1.00 0.00 ATOM 296 OD1 ASP 41 0.756 6.693 7.279 1.00 0.00 ATOM 297 OD2 ASP 41 -0.504 8.453 6.911 1.00 0.00 ATOM 298 O ASP 41 0.596 7.168 2.046 1.00 0.00 ATOM 299 C ASP 41 1.061 6.441 2.920 1.00 0.00 ATOM 300 N VAL 42 1.428 5.188 2.687 1.00 0.00 ATOM 301 CA VAL 42 1.284 4.606 1.363 1.00 0.00 ATOM 302 CB VAL 42 2.654 4.359 0.702 1.00 0.00 ATOM 303 CG1 VAL 42 2.478 3.705 -0.660 1.00 0.00 ATOM 304 CG2 VAL 42 3.398 5.671 0.514 1.00 0.00 ATOM 305 O VAL 42 0.801 2.402 2.222 1.00 0.00 ATOM 306 C VAL 42 0.560 3.263 1.370 1.00 0.00 ATOM 307 N MET 43 -0.366 3.127 0.427 1.00 0.00 ATOM 308 CA MET 43 -1.153 1.916 0.247 1.00 0.00 ATOM 309 CB MET 43 -2.647 2.248 0.217 1.00 0.00 ATOM 310 CG MET 43 -3.204 2.717 1.550 1.00 0.00 ATOM 311 SD MET 43 -4.990 2.968 1.508 1.00 0.00 ATOM 312 CE MET 43 -5.566 1.275 1.384 1.00 0.00 ATOM 313 O MET 43 -0.504 1.975 -2.054 1.00 0.00 ATOM 314 C MET 43 -0.744 1.280 -1.072 1.00 0.00 ATOM 315 N GLY 44 -0.634 -0.044 -1.080 1.00 0.00 ATOM 316 CA GLY 44 -0.250 -0.753 -2.287 1.00 0.00 ATOM 317 O GLY 44 -2.244 -2.055 -2.155 1.00 0.00 ATOM 318 C GLY 44 -1.392 -1.555 -2.875 1.00 0.00 ATOM 319 N LEU 45 -1.402 -1.672 -4.196 1.00 0.00 ATOM 320 CA LEU 45 -2.445 -2.401 -4.913 1.00 0.00 ATOM 321 CB LEU 45 -3.436 -1.425 -5.551 1.00 0.00 ATOM 322 CG LEU 45 -4.550 -2.047 -6.397 1.00 0.00 ATOM 323 CD1 LEU 45 -5.489 -2.869 -5.527 1.00 0.00 ATOM 324 CD2 LEU 45 -5.367 -0.967 -7.088 1.00 0.00 ATOM 325 O LEU 45 -1.044 -2.727 -6.838 1.00 0.00 ATOM 326 C LEU 45 -1.788 -3.248 -6.010 1.00 0.00 ATOM 327 N ILE 51 -2.068 -4.550 -6.013 1.00 0.00 ATOM 328 CA ILE 51 -1.475 -5.454 -6.996 1.00 0.00 ATOM 329 CB ILE 51 -0.343 -6.298 -6.378 1.00 0.00 ATOM 330 CG1 ILE 51 0.776 -5.392 -5.863 1.00 0.00 ATOM 331 CG2 ILE 51 0.241 -7.247 -7.413 1.00 0.00 ATOM 332 CD1 ILE 51 1.843 -6.125 -5.081 1.00 0.00 ATOM 333 O ILE 51 -3.372 -6.924 -6.877 1.00 0.00 ATOM 334 C ILE 51 -2.487 -6.438 -7.581 1.00 0.00 ATOM 335 N TRP 52 -2.346 -6.706 -8.878 1.00 0.00 ATOM 336 CA TRP 52 -3.205 -7.639 -9.606 1.00 0.00 ATOM 337 CB TRP 52 -3.981 -6.909 -10.703 1.00 0.00 ATOM 338 CG TRP 52 -4.984 -5.928 -10.178 1.00 0.00 ATOM 339 CD1 TRP 52 -4.762 -4.619 -9.861 1.00 0.00 ATOM 340 CD2 TRP 52 -6.369 -6.179 -9.906 1.00 0.00 ATOM 341 CE2 TRP 52 -6.923 -4.975 -9.428 1.00 0.00 ATOM 342 CE3 TRP 52 -7.192 -7.302 -10.020 1.00 0.00 ATOM 343 NE1 TRP 52 -5.922 -4.036 -9.410 1.00 0.00 ATOM 344 CZ2 TRP 52 -8.265 -4.863 -9.065 1.00 0.00 ATOM 345 CZ3 TRP 52 -8.521 -7.187 -9.659 1.00 0.00 ATOM 346 CH2 TRP 52 -9.047 -5.979 -9.186 1.00 0.00 ATOM 347 O TRP 52 -1.273 -8.414 -10.803 1.00 0.00 ATOM 348 C TRP 52 -2.322 -8.713 -10.232 1.00 0.00 ATOM 349 N VAL 53 -2.760 -9.960 -10.122 1.00 0.00 ATOM 350 CA VAL 53 -2.016 -11.068 -10.681 1.00 0.00 ATOM 351 CB VAL 53 -1.405 -11.951 -9.577 1.00 0.00 ATOM 352 CG1 VAL 53 -0.424 -11.149 -8.735 1.00 0.00 ATOM 353 CG2 VAL 53 -2.494 -12.491 -8.664 1.00 0.00 ATOM 354 O VAL 53 -4.123 -11.768 -11.559 1.00 0.00 ATOM 355 C VAL 53 -2.907 -11.946 -11.530 1.00 0.00 ATOM 356 N ILE 54 -2.302 -12.889 -12.237 1.00 0.00 ATOM 357 CA ILE 54 -3.056 -13.792 -13.093 1.00 0.00 ATOM 358 CB ILE 54 -2.730 -13.564 -14.581 1.00 0.00 ATOM 359 CG1 ILE 54 -3.090 -12.135 -14.992 1.00 0.00 ATOM 360 CG2 ILE 54 -3.517 -14.530 -15.453 1.00 0.00 ATOM 361 CD1 ILE 54 -2.613 -11.760 -16.379 1.00 0.00 ATOM 362 O ILE 54 -1.558 -15.610 -12.643 1.00 0.00 ATOM 363 C ILE 54 -2.725 -15.241 -12.757 1.00 0.00 ATOM 364 N GLU 55 -3.768 -16.052 -12.593 1.00 0.00 ATOM 365 CA GLU 55 -3.618 -17.466 -12.279 1.00 0.00 ATOM 366 CB GLU 55 -4.006 -17.736 -10.824 1.00 0.00 ATOM 367 CG GLU 55 -3.111 -17.049 -9.805 1.00 0.00 ATOM 368 CD GLU 55 -3.526 -17.339 -8.375 1.00 0.00 ATOM 369 OE1 GLU 55 -4.522 -18.068 -8.183 1.00 0.00 ATOM 370 OE2 GLU 55 -2.855 -16.837 -7.449 1.00 0.00 ATOM 371 O GLU 55 -5.650 -17.928 -13.478 1.00 0.00 ATOM 372 C GLU 55 -4.516 -18.305 -13.186 1.00 0.00 ATOM 373 N CYS 56 -3.980 -19.420 -13.667 1.00 0.00 ATOM 374 CA CYS 56 -4.724 -20.327 -14.521 1.00 0.00 ATOM 375 CB CYS 56 -3.803 -21.417 -15.074 1.00 0.00 ATOM 376 SG CYS 56 -4.622 -22.604 -16.164 1.00 0.00 ATOM 377 O CYS 56 -5.507 -21.564 -12.642 1.00 0.00 ATOM 378 C CYS 56 -5.811 -20.936 -13.649 1.00 0.00 ATOM 379 N TRP 69 -7.074 -20.716 -14.013 1.00 0.00 ATOM 380 CA TRP 69 -8.220 -21.225 -13.243 1.00 0.00 ATOM 381 CB TRP 69 -9.506 -21.122 -14.066 1.00 0.00 ATOM 382 CG TRP 69 -10.728 -21.581 -13.330 1.00 0.00 ATOM 383 CD1 TRP 69 -11.411 -22.747 -13.522 1.00 0.00 ATOM 384 CD2 TRP 69 -11.413 -20.881 -12.283 1.00 0.00 ATOM 385 CE2 TRP 69 -12.501 -21.683 -11.889 1.00 0.00 ATOM 386 CE3 TRP 69 -11.210 -19.656 -11.641 1.00 0.00 ATOM 387 NE1 TRP 69 -12.479 -22.818 -12.660 1.00 0.00 ATOM 388 CZ2 TRP 69 -13.385 -21.300 -10.880 1.00 0.00 ATOM 389 CZ3 TRP 69 -12.090 -19.279 -10.643 1.00 0.00 ATOM 390 CH2 TRP 69 -13.163 -20.096 -10.271 1.00 0.00 ATOM 391 O TRP 69 -8.489 -23.002 -11.660 1.00 0.00 ATOM 392 C TRP 69 -8.145 -22.683 -12.794 1.00 0.00 ATOM 393 N GLN 70 -7.711 -23.565 -13.688 1.00 0.00 ATOM 394 CA GLN 70 -7.608 -24.988 -13.380 1.00 0.00 ATOM 395 CB GLN 70 -7.500 -25.808 -14.667 1.00 0.00 ATOM 396 CG GLN 70 -8.739 -25.750 -15.546 1.00 0.00 ATOM 397 CD GLN 70 -8.568 -26.515 -16.843 1.00 0.00 ATOM 398 OE1 GLN 70 -7.543 -27.158 -17.067 1.00 0.00 ATOM 399 NE2 GLN 70 -9.577 -26.448 -17.706 1.00 0.00 ATOM 400 O GLN 70 -6.238 -26.544 -12.172 1.00 0.00 ATOM 401 C GLN 70 -6.398 -25.374 -12.525 1.00 0.00 ATOM 402 N MET 85 -5.544 -24.402 -12.206 1.00 0.00 ATOM 403 CA MET 85 -4.356 -24.656 -11.396 1.00 0.00 ATOM 404 CB MET 85 -3.086 -24.376 -12.202 1.00 0.00 ATOM 405 CG MET 85 -2.867 -25.330 -13.365 1.00 0.00 ATOM 406 SD MET 85 -2.608 -27.032 -12.829 1.00 0.00 ATOM 407 CE MET 85 -0.983 -26.909 -12.087 1.00 0.00 ATOM 408 O MET 85 -3.213 -23.609 -9.559 1.00 0.00 ATOM 409 C MET 85 -4.285 -23.790 -10.138 1.00 0.00 ATOM 410 N GLU 86 -5.428 -23.257 -9.713 1.00 0.00 ATOM 411 CA GLU 86 -5.480 -22.423 -8.516 1.00 0.00 ATOM 412 CB GLU 86 -6.839 -21.732 -8.402 1.00 0.00 ATOM 413 CG GLU 86 -6.946 -20.758 -7.241 1.00 0.00 ATOM 414 CD GLU 86 -8.289 -20.057 -7.188 1.00 0.00 ATOM 415 OE1 GLU 86 -9.138 -20.334 -8.063 1.00 0.00 ATOM 416 OE2 GLU 86 -8.495 -19.233 -6.274 1.00 0.00 ATOM 417 O GLU 86 -5.871 -24.333 -7.108 1.00 0.00 ATOM 418 C GLU 86 -5.261 -23.277 -7.264 1.00 0.00 ATOM 419 N PHE 87 -4.376 -22.807 -6.385 1.00 0.00 ATOM 420 CA PHE 87 -4.067 -23.491 -5.128 1.00 0.00 ATOM 421 CB PHE 87 -2.654 -23.139 -4.658 1.00 0.00 ATOM 422 CG PHE 87 -2.216 -23.893 -3.436 1.00 0.00 ATOM 423 CD1 PHE 87 -1.723 -25.182 -3.541 1.00 0.00 ATOM 424 CD2 PHE 87 -2.296 -23.313 -2.182 1.00 0.00 ATOM 425 CE1 PHE 87 -1.319 -25.875 -2.415 1.00 0.00 ATOM 426 CE2 PHE 87 -1.892 -24.007 -1.057 1.00 0.00 ATOM 427 CZ PHE 87 -1.405 -25.282 -1.169 1.00 0.00 ATOM 428 O PHE 87 -5.033 -21.921 -3.581 1.00 0.00 ATOM 429 C PHE 87 -5.074 -23.059 -4.054 1.00 0.00 ATOM 430 N PRO 88 -5.968 -23.969 -3.673 1.00 0.00 ATOM 431 CA PRO 88 -6.989 -23.687 -2.666 1.00 0.00 ATOM 432 CB PRO 88 -8.281 -24.215 -3.291 1.00 0.00 ATOM 433 CG PRO 88 -7.868 -25.455 -4.012 1.00 0.00 ATOM 434 CD PRO 88 -6.500 -25.176 -4.568 1.00 0.00 ATOM 435 O PRO 88 -7.582 -24.211 -0.402 1.00 0.00 ATOM 436 C PRO 88 -6.763 -24.353 -1.310 1.00 0.00 ATOM 437 N ALA 89 -5.657 -25.084 -1.182 1.00 0.00 ATOM 438 CA ALA 89 -5.334 -25.762 0.066 1.00 0.00 ATOM 439 CB ALA 89 -5.606 -24.849 1.251 1.00 0.00 ATOM 440 O ALA 89 -6.024 -27.608 1.425 1.00 0.00 ATOM 441 C ALA 89 -6.116 -27.039 0.337 1.00 0.00 ATOM 442 N GLU 90 -6.864 -27.503 -0.662 1.00 0.00 ATOM 443 CA GLU 90 -7.676 -28.712 -0.545 1.00 0.00 ATOM 444 CB GLU 90 -8.748 -28.745 -1.637 1.00 0.00 ATOM 445 CG GLU 90 -9.799 -27.654 -1.507 1.00 0.00 ATOM 446 CD GLU 90 -10.831 -27.705 -2.617 1.00 0.00 ATOM 447 OE1 GLU 90 -10.752 -28.624 -3.460 1.00 0.00 ATOM 448 OE2 GLU 90 -11.718 -26.826 -2.644 1.00 0.00 ATOM 449 O GLU 90 -7.347 -31.079 -0.299 1.00 0.00 ATOM 450 C GLU 90 -6.873 -30.009 -0.678 1.00 0.00 ATOM 451 N LEU 91 -5.681 -29.913 -1.258 1.00 0.00 ATOM 452 CA LEU 91 -4.822 -31.076 -1.443 1.00 0.00 ATOM 453 CB LEU 91 -3.818 -30.826 -2.570 1.00 0.00 ATOM 454 CG LEU 91 -4.405 -30.624 -3.970 1.00 0.00 ATOM 455 CD1 LEU 91 -3.310 -30.279 -4.967 1.00 0.00 ATOM 456 CD2 LEU 91 -5.102 -31.888 -4.446 1.00 0.00 ATOM 457 O LEU 91 -3.375 -32.458 -0.128 1.00 0.00 ATOM 458 C LEU 91 -4.025 -31.417 -0.190 1.00 0.00 ATOM 459 N LEU 92 -4.077 -30.542 0.808 1.00 0.00 ATOM 460 CA LEU 92 -3.365 -30.766 2.060 1.00 0.00 ATOM 461 CB LEU 92 -3.511 -29.555 2.984 1.00 0.00 ATOM 462 CG LEU 92 -2.828 -28.265 2.523 1.00 0.00 ATOM 463 CD1 LEU 92 -3.163 -27.116 3.462 1.00 0.00 ATOM 464 CD2 LEU 92 -1.317 -28.435 2.501 1.00 0.00 ATOM 465 O LEU 92 -5.129 -32.209 2.827 1.00 0.00 ATOM 466 C LEU 92 -3.915 -31.991 2.788 1.00 0.00 ATOM 467 N PRO 93 -3.009 -32.789 3.344 1.00 0.00 ATOM 468 CA PRO 93 -3.367 -33.996 4.081 1.00 0.00 ATOM 469 CB PRO 93 -3.547 -35.056 2.993 1.00 0.00 ATOM 470 CG PRO 93 -2.670 -34.599 1.876 1.00 0.00 ATOM 471 CD PRO 93 -2.722 -33.096 1.894 1.00 0.00 ATOM 472 O PRO 93 -1.130 -33.856 4.924 1.00 0.00 ATOM 473 C PRO 93 -2.246 -34.358 5.050 1.00 0.00 ATOM 474 N ALA 94 -2.552 -35.198 6.036 1.00 0.00 ATOM 475 CA ALA 94 -1.544 -35.616 7.004 1.00 0.00 ATOM 476 CB ALA 94 -2.157 -36.546 8.040 1.00 0.00 ATOM 477 O ALA 94 -0.653 -37.068 5.309 1.00 0.00 ATOM 478 C ALA 94 -0.418 -36.352 6.284 1.00 0.00 ATOM 479 N GLU 95 0.807 -36.151 6.759 1.00 0.00 ATOM 480 CA GLU 95 1.963 -36.767 6.132 1.00 0.00 ATOM 481 CB GLU 95 1.529 -37.931 5.239 1.00 0.00 ATOM 482 CG GLU 95 0.963 -39.120 6.000 1.00 0.00 ATOM 483 CD GLU 95 0.493 -40.230 5.081 1.00 0.00 ATOM 484 OE1 GLU 95 0.586 -40.058 3.847 1.00 0.00 ATOM 485 OE2 GLU 95 0.030 -41.271 5.594 1.00 0.00 ATOM 486 O GLU 95 3.857 -35.925 4.924 1.00 0.00 ATOM 487 C GLU 95 2.689 -35.738 5.281 1.00 0.00 ATOM 488 N SER 96 1.984 -34.653 4.954 1.00 0.00 ATOM 489 CA SER 96 2.529 -33.554 4.162 1.00 0.00 ATOM 490 CB SER 96 1.445 -32.514 3.872 1.00 0.00 ATOM 491 OG SER 96 1.972 -31.417 3.147 1.00 0.00 ATOM 492 O SER 96 3.532 -32.543 6.083 1.00 0.00 ATOM 493 C SER 96 3.662 -32.877 4.910 1.00 0.00 ATOM 494 N GLY 97 4.762 -32.646 4.210 1.00 0.00 ATOM 495 CA GLY 97 5.921 -31.997 4.796 1.00 0.00 ATOM 496 O GLY 97 5.378 -29.969 3.638 1.00 0.00 ATOM 497 C GLY 97 5.857 -30.481 4.650 1.00 0.00 ATOM 498 N LEU 98 6.303 -29.777 5.689 1.00 0.00 ATOM 499 CA LEU 98 6.324 -28.314 5.700 1.00 0.00 ATOM 500 CB LEU 98 5.877 -27.782 7.064 1.00 0.00 ATOM 501 CG LEU 98 4.459 -28.150 7.504 1.00 0.00 ATOM 502 CD1 LEU 98 4.176 -27.624 8.901 1.00 0.00 ATOM 503 CD2 LEU 98 3.430 -27.556 6.554 1.00 0.00 ATOM 504 O LEU 98 8.681 -28.183 6.093 1.00 0.00 ATOM 505 C LEU 98 7.729 -27.800 5.419 1.00 0.00 ATOM 506 N LEU 99 7.852 -26.944 4.412 1.00 0.00 ATOM 507 CA LEU 99 9.138 -26.361 4.045 1.00 0.00 ATOM 508 CB LEU 99 9.402 -26.546 2.549 1.00 0.00 ATOM 509 CG LEU 99 9.456 -27.989 2.044 1.00 0.00 ATOM 510 CD1 LEU 99 9.639 -28.023 0.535 1.00 0.00 ATOM 511 CD2 LEU 99 10.618 -28.738 2.681 1.00 0.00 ATOM 512 O LEU 99 8.175 -24.155 4.109 1.00 0.00 ATOM 513 C LEU 99 9.149 -24.862 4.361 1.00 0.00 ATOM 514 N ILE 100 10.234 -24.393 4.964 1.00 0.00 ATOM 515 CA ILE 100 10.347 -22.987 5.321 1.00 0.00 ATOM 516 CB ILE 100 10.843 -22.810 6.768 1.00 0.00 ATOM 517 CG1 ILE 100 9.848 -23.432 7.752 1.00 0.00 ATOM 518 CG2 ILE 100 10.993 -21.333 7.103 1.00 0.00 ATOM 519 CD1 ILE 100 10.365 -23.516 9.172 1.00 0.00 ATOM 520 O ILE 100 12.364 -22.737 4.046 1.00 0.00 ATOM 521 C ILE 100 11.319 -22.223 4.438 1.00 0.00 ATOM 522 N ALA 101 10.929 -21.004 4.091 1.00 0.00 ATOM 523 CA ALA 101 11.753 -20.115 3.282 1.00 0.00 ATOM 524 CB ALA 101 10.949 -19.561 2.117 1.00 0.00 ATOM 525 O ALA 101 11.340 -18.334 4.820 1.00 0.00 ATOM 526 C ALA 101 12.181 -19.015 4.231 1.00 0.00 ATOM 527 N ASP 102 13.488 -18.874 4.401 1.00 0.00 ATOM 528 CA ASP 102 14.022 -17.875 5.305 1.00 0.00 ATOM 529 CB ASP 102 15.550 -17.952 5.345 1.00 0.00 ATOM 530 CG ASP 102 16.053 -19.168 6.097 1.00 0.00 ATOM 531 OD1 ASP 102 15.229 -19.849 6.743 1.00 0.00 ATOM 532 OD2 ASP 102 17.270 -19.440 6.040 1.00 0.00 ATOM 533 O ASP 102 13.584 -16.077 3.798 1.00 0.00 ATOM 534 C ASP 102 13.695 -16.438 4.964 1.00 0.00 ATOM 535 N ALA 103 13.530 -15.624 6.002 1.00 0.00 ATOM 536 CA ALA 103 13.237 -14.210 5.850 1.00 0.00 ATOM 537 CB ALA 103 12.355 -13.726 6.990 1.00 0.00 ATOM 538 O ALA 103 15.597 -13.901 6.212 1.00 0.00 ATOM 539 C ALA 103 14.533 -13.395 5.857 1.00 0.00 ATOM 540 N TYR 104 14.430 -12.130 5.463 1.00 0.00 ATOM 541 CA TYR 104 15.574 -11.220 5.430 1.00 0.00 ATOM 542 CB TYR 104 15.447 -10.240 4.263 1.00 0.00 ATOM 543 CG TYR 104 15.571 -10.889 2.903 1.00 0.00 ATOM 544 CD1 TYR 104 14.440 -11.215 2.164 1.00 0.00 ATOM 545 CD2 TYR 104 16.818 -11.174 2.361 1.00 0.00 ATOM 546 CE1 TYR 104 14.544 -11.807 0.920 1.00 0.00 ATOM 547 CE2 TYR 104 16.942 -11.767 1.119 1.00 0.00 ATOM 548 CZ TYR 104 15.790 -12.083 0.399 1.00 0.00 ATOM 549 OH TYR 104 15.896 -12.674 -0.840 1.00 0.00 ATOM 550 O TYR 104 16.554 -9.602 6.915 1.00 0.00 ATOM 551 C TYR 104 15.652 -10.420 6.728 1.00 0.00 ATOM 552 N ASP 105 14.682 -10.646 7.607 1.00 0.00 ATOM 553 CA ASP 105 14.629 -9.944 8.875 1.00 0.00 ATOM 554 CB ASP 105 15.144 -8.512 8.717 1.00 0.00 ATOM 555 CG ASP 105 14.296 -7.690 7.766 1.00 0.00 ATOM 556 OD1 ASP 105 13.293 -8.224 7.250 1.00 0.00 ATOM 557 OD2 ASP 105 14.635 -6.509 7.538 1.00 0.00 ATOM 558 O ASP 105 12.414 -10.782 9.034 1.00 0.00 ATOM 559 C ASP 105 13.198 -9.897 9.372 1.00 0.00 ATOM 560 N ALA 106 12.820 -8.883 10.169 1.00 0.00 ATOM 561 CA ALA 106 11.456 -8.751 10.699 1.00 0.00 ATOM 562 CB ALA 106 11.384 -7.610 11.701 1.00 0.00 ATOM 563 O ALA 106 9.236 -8.349 9.856 1.00 0.00 ATOM 564 C ALA 106 10.435 -8.466 9.599 1.00 0.00 ATOM 568 N VAL 124 5.761 -2.150 15.809 1.00 0.00 ATOM 569 CA VAL 124 5.225 -1.322 16.883 1.00 0.00 ATOM 570 CB VAL 124 3.711 -1.546 17.066 1.00 0.00 ATOM 571 CG1 VAL 124 3.213 -0.827 18.310 1.00 0.00 ATOM 572 CG2 VAL 124 2.945 -1.014 15.863 1.00 0.00 ATOM 573 O VAL 124 6.231 -0.930 19.030 1.00 0.00 ATOM 574 C VAL 124 5.977 -1.737 18.138 1.00 0.00 ATOM 575 N LEU 125 6.324 -3.022 18.175 1.00 0.00 ATOM 576 CA LEU 125 7.046 -3.624 19.276 1.00 0.00 ATOM 577 CB LEU 125 6.907 -5.148 19.239 1.00 0.00 ATOM 578 CG LEU 125 5.501 -5.706 19.475 1.00 0.00 ATOM 579 CD1 LEU 125 5.483 -7.214 19.282 1.00 0.00 ATOM 580 CD2 LEU 125 5.033 -5.402 20.889 1.00 0.00 ATOM 581 O LEU 125 9.154 -3.096 20.305 1.00 0.00 ATOM 582 C LEU 125 8.544 -3.308 19.253 1.00 0.00 ATOM 583 N ILE 126 9.136 -3.300 18.063 1.00 0.00 ATOM 584 CA ILE 126 10.557 -3.000 17.907 1.00 0.00 ATOM 585 CB ILE 126 10.989 -3.070 16.431 1.00 0.00 ATOM 586 CG1 ILE 126 10.920 -4.510 15.922 1.00 0.00 ATOM 587 CG2 ILE 126 12.418 -2.571 16.272 1.00 0.00 ATOM 588 CD1 ILE 126 11.071 -4.636 14.422 1.00 0.00 ATOM 589 O ILE 126 11.904 -1.368 19.030 1.00 0.00 ATOM 590 C ILE 126 10.865 -1.598 18.421 1.00 0.00 ATOM 591 N GLN 127 9.964 -0.658 18.158 1.00 0.00 ATOM 592 CA GLN 127 10.144 0.716 18.621 1.00 0.00 ATOM 593 CB GLN 127 9.026 1.613 18.086 1.00 0.00 ATOM 594 CG GLN 127 9.105 1.878 16.592 1.00 0.00 ATOM 595 CD GLN 127 7.922 2.674 16.077 1.00 0.00 ATOM 596 OE1 GLN 127 6.984 2.960 16.822 1.00 0.00 ATOM 597 NE2 GLN 127 7.963 3.035 14.801 1.00 0.00 ATOM 598 O GLN 127 10.942 1.461 20.759 1.00 0.00 ATOM 599 C GLN 127 10.121 0.780 20.148 1.00 0.00 ATOM 600 N LYS 128 9.184 0.054 20.756 1.00 0.00 ATOM 601 CA LYS 128 9.062 0.017 22.210 1.00 0.00 ATOM 602 CB LYS 128 7.898 -0.883 22.627 1.00 0.00 ATOM 603 CG LYS 128 7.669 -0.948 24.129 1.00 0.00 ATOM 604 CD LYS 128 6.458 -1.802 24.466 1.00 0.00 ATOM 605 CE LYS 128 6.259 -1.906 25.970 1.00 0.00 ATOM 606 NZ LYS 128 5.089 -2.760 26.318 1.00 0.00 ATOM 607 O LYS 128 10.931 0.083 23.706 1.00 0.00 ATOM 608 C LYS 128 10.352 -0.527 22.812 1.00 0.00 ATOM 609 N PHE 129 10.820 -1.655 22.284 1.00 0.00 ATOM 610 CA PHE 129 12.051 -2.283 22.764 1.00 0.00 ATOM 611 CB PHE 129 12.332 -3.571 21.989 1.00 0.00 ATOM 612 CG PHE 129 13.510 -4.346 22.507 1.00 0.00 ATOM 613 CD1 PHE 129 13.419 -5.061 23.689 1.00 0.00 ATOM 614 CD2 PHE 129 14.708 -4.360 21.815 1.00 0.00 ATOM 615 CE1 PHE 129 14.502 -5.774 24.168 1.00 0.00 ATOM 616 CE2 PHE 129 15.791 -5.072 22.294 1.00 0.00 ATOM 617 CZ PHE 129 15.691 -5.779 23.464 1.00 0.00 ATOM 618 O PHE 129 14.173 -1.375 23.417 1.00 0.00 ATOM 619 C PHE 129 13.263 -1.358 22.593 1.00 0.00 ATOM 620 N ALA 130 13.255 -0.531 21.549 1.00 0.00 ATOM 621 CA ALA 130 14.346 0.416 21.290 1.00 0.00 ATOM 622 CB ALA 130 14.224 0.995 19.889 1.00 0.00 ATOM 623 O ALA 130 15.403 2.089 22.674 1.00 0.00 ATOM 624 C ALA 130 14.344 1.592 22.277 1.00 0.00 ATOM 625 N THR 131 13.148 2.026 22.665 1.00 0.00 ATOM 626 CA THR 131 12.970 3.137 23.601 1.00 0.00 ATOM 627 CB THR 131 11.534 3.692 23.553 1.00 0.00 ATOM 628 CG2 THR 131 11.375 4.843 24.532 1.00 0.00 ATOM 629 OG1 THR 131 11.245 4.164 22.230 1.00 0.00 ATOM 630 O THR 131 14.030 3.353 25.756 1.00 0.00 ATOM 631 C THR 131 13.241 2.719 25.051 1.00 0.00 ATOM 632 N HIS 132 12.578 1.649 25.483 1.00 0.00 ATOM 633 CA HIS 132 12.714 1.120 26.840 1.00 0.00 ATOM 634 CB HIS 132 11.835 -0.119 27.021 1.00 0.00 ATOM 635 CG HIS 132 11.961 -0.756 28.370 1.00 0.00 ATOM 636 CD2 HIS 132 12.592 -1.958 28.896 1.00 0.00 ATOM 637 ND1 HIS 132 11.406 -0.209 29.507 1.00 0.00 ATOM 638 CE1 HIS 132 11.686 -1.003 30.556 1.00 0.00 ATOM 639 NE2 HIS 132 12.397 -2.053 30.197 1.00 0.00 ATOM 640 O HIS 132 14.628 1.015 28.280 1.00 0.00 ATOM 641 C HIS 132 14.139 0.706 27.192 1.00 0.00 ATOM 642 N ALA 139 14.799 -0.003 26.285 1.00 0.00 ATOM 643 CA ALA 139 16.169 -0.441 26.523 1.00 0.00 ATOM 644 CB ALA 139 16.543 -1.559 25.562 1.00 0.00 ATOM 645 O ALA 139 18.355 0.553 26.565 1.00 0.00 ATOM 646 C ALA 139 17.157 0.708 26.322 1.00 0.00 ATOM 647 N LEU 140 16.648 1.850 25.864 1.00 0.00 ATOM 648 CA LEU 140 17.491 3.012 25.638 1.00 0.00 ATOM 649 CB LEU 140 18.271 3.363 26.908 1.00 0.00 ATOM 650 CG LEU 140 17.439 3.632 28.164 1.00 0.00 ATOM 651 CD1 LEU 140 18.340 3.922 29.354 1.00 0.00 ATOM 652 CD2 LEU 140 16.524 4.829 27.956 1.00 0.00 ATOM 653 O LEU 140 19.492 3.598 24.479 1.00 0.00 ATOM 654 C LEU 140 18.522 2.843 24.539 1.00 0.00 ATOM 655 N ARG 141 18.320 1.848 23.674 1.00 0.00 ATOM 656 CA ARG 141 19.230 1.577 22.560 1.00 0.00 ATOM 657 CB ARG 141 19.161 0.102 22.158 1.00 0.00 ATOM 658 CG ARG 141 19.676 -0.855 23.222 1.00 0.00 ATOM 659 CD ARG 141 19.608 -2.297 22.746 1.00 0.00 ATOM 660 NE ARG 141 19.958 -3.240 23.805 1.00 0.00 ATOM 661 CZ ARG 141 19.921 -4.561 23.670 1.00 0.00 ATOM 662 NH1 ARG 141 20.258 -5.342 24.688 1.00 0.00 ATOM 663 NH2 ARG 141 19.549 -5.101 22.518 1.00 0.00 ATOM 664 O ARG 141 17.737 2.547 20.949 1.00 0.00 ATOM 665 C ARG 141 18.904 2.399 21.318 1.00 0.00 ATOM 666 N ASP 142 19.941 2.953 20.694 1.00 0.00 ATOM 667 CA ASP 142 19.771 3.721 19.469 1.00 0.00 ATOM 668 CB ASP 142 20.694 4.941 19.469 1.00 0.00 ATOM 669 CG ASP 142 20.506 5.816 18.246 1.00 0.00 ATOM 670 OD1 ASP 142 19.706 5.438 17.363 1.00 0.00 ATOM 671 OD2 ASP 142 21.158 6.878 18.169 1.00 0.00 ATOM 672 O ASP 142 21.262 2.210 18.344 1.00 0.00 ATOM 673 C ASP 142 20.143 2.728 18.371 1.00 0.00 ATOM 674 N PRO 143 19.194 2.423 17.472 1.00 0.00 ATOM 675 CA PRO 143 19.424 1.478 16.375 1.00 0.00 ATOM 676 CB PRO 143 18.135 1.545 15.553 1.00 0.00 ATOM 677 CG PRO 143 17.083 1.928 16.539 1.00 0.00 ATOM 678 CD PRO 143 17.727 2.916 17.471 1.00 0.00 ATOM 679 O PRO 143 21.360 0.921 15.069 1.00 0.00 ATOM 680 C PRO 143 20.627 1.817 15.489 1.00 0.00 ATOM 681 N GLU 144 20.836 3.109 15.239 1.00 0.00 ATOM 682 CA GLU 144 21.945 3.577 14.405 1.00 0.00 ATOM 683 CB GLU 144 21.768 5.057 14.057 1.00 0.00 ATOM 684 CG GLU 144 20.621 5.335 13.099 1.00 0.00 ATOM 685 CD GLU 144 20.430 6.816 12.834 1.00 0.00 ATOM 686 OE1 GLU 144 21.170 7.626 13.432 1.00 0.00 ATOM 687 OE2 GLU 144 19.542 7.165 12.030 1.00 0.00 ATOM 688 O GLU 144 24.332 3.419 14.399 1.00 0.00 ATOM 689 C GLU 144 23.307 3.438 15.078 1.00 0.00 ATOM 690 N GLY 145 23.320 3.390 16.408 1.00 0.00 ATOM 691 CA GLY 145 24.568 3.290 17.162 1.00 0.00 ATOM 692 O GLY 145 26.098 1.495 17.611 1.00 0.00 ATOM 693 C GLY 145 24.923 1.873 17.613 1.00 0.00 ATOM 694 N HIS 146 23.917 1.089 17.997 1.00 0.00 ATOM 695 CA HIS 146 24.151 -0.284 18.436 1.00 0.00 ATOM 696 CB HIS 146 22.869 -0.886 19.014 1.00 0.00 ATOM 697 CG HIS 146 23.081 -2.190 19.721 1.00 0.00 ATOM 698 CD2 HIS 146 23.137 -2.620 21.110 1.00 0.00 ATOM 699 ND1 HIS 146 23.288 -3.375 19.050 1.00 0.00 ATOM 700 CE1 HIS 146 23.444 -4.365 19.949 1.00 0.00 ATOM 701 NE2 HIS 146 23.355 -3.920 21.186 1.00 0.00 ATOM 702 O HIS 146 23.865 -1.287 16.285 1.00 0.00 ATOM 703 C HIS 146 24.605 -1.135 17.253 1.00 0.00 ATOM 704 N GLY 147 25.821 -1.671 17.331 1.00 0.00 ATOM 705 CA GLY 147 26.368 -2.512 16.267 1.00 0.00 ATOM 706 O GLY 147 26.960 -4.549 17.404 1.00 0.00 ATOM 707 C GLY 147 26.207 -3.999 16.596 1.00 0.00 TER END