PFRMAT TS TARGET T0404 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 T0404 model 3 Thu May 15 16:24:12 2008 MODEL 3 PARENT N/A ATOM 2 N ASN 6 -9.555 5.539 9.509 1.00 0.00 ATOM 3 CA ASN 6 -8.438 6.234 8.862 1.00 0.00 ATOM 4 CB ASN 6 -7.106 5.796 9.476 1.00 0.00 ATOM 5 CG ASN 6 -6.915 6.319 10.887 1.00 0.00 ATOM 6 ND2 ASN 6 -6.034 5.672 11.641 1.00 0.00 ATOM 7 OD1 ASN 6 -7.552 7.291 11.290 1.00 0.00 ATOM 8 O ASN 6 -8.845 4.835 6.964 1.00 0.00 ATOM 9 C ASN 6 -8.423 5.912 7.381 1.00 0.00 ATOM 10 N LYS 7 -7.954 6.875 6.604 1.00 0.00 ATOM 11 CA LYS 7 -7.771 6.698 5.157 1.00 0.00 ATOM 12 CB LYS 7 -8.095 7.995 4.413 1.00 0.00 ATOM 13 CG LYS 7 -9.564 8.386 4.457 1.00 0.00 ATOM 14 CD LYS 7 -9.802 9.718 3.765 1.00 0.00 ATOM 15 CE LYS 7 -11.262 10.133 3.853 1.00 0.00 ATOM 16 NZ LYS 7 -11.499 11.463 3.228 1.00 0.00 ATOM 17 O LYS 7 -5.409 6.971 5.510 1.00 0.00 ATOM 18 C LYS 7 -6.308 6.317 4.974 1.00 0.00 ATOM 19 N LEU 8 -6.066 5.267 4.211 1.00 0.00 ATOM 20 CA LEU 8 -4.706 4.834 3.953 1.00 0.00 ATOM 21 CB LEU 8 -4.548 3.345 4.267 1.00 0.00 ATOM 22 CG LEU 8 -4.842 2.923 5.708 1.00 0.00 ATOM 23 CD1 LEU 8 -4.716 1.415 5.862 1.00 0.00 ATOM 24 CD2 LEU 8 -3.867 3.581 6.671 1.00 0.00 ATOM 25 O LEU 8 -5.284 4.614 1.638 1.00 0.00 ATOM 26 C LEU 8 -4.533 5.134 2.464 1.00 0.00 ATOM 27 N VAL 9 -3.596 6.028 2.156 1.00 0.00 ATOM 28 CA VAL 9 -3.306 6.436 0.767 1.00 0.00 ATOM 29 CB VAL 9 -3.357 7.967 0.606 1.00 0.00 ATOM 30 CG1 VAL 9 -3.019 8.363 -0.822 1.00 0.00 ATOM 31 CG2 VAL 9 -4.747 8.490 0.934 1.00 0.00 ATOM 32 O VAL 9 -0.942 6.347 1.081 1.00 0.00 ATOM 33 C VAL 9 -1.912 5.928 0.453 1.00 0.00 ATOM 34 N ILE 10 -1.808 5.048 -0.540 1.00 0.00 ATOM 35 CA ILE 10 -0.517 4.476 -0.888 1.00 0.00 ATOM 36 CB ILE 10 -0.496 2.953 -0.663 1.00 0.00 ATOM 37 CG1 ILE 10 -1.552 2.269 -1.534 1.00 0.00 ATOM 38 CG2 ILE 10 -0.787 2.625 0.794 1.00 0.00 ATOM 39 CD1 ILE 10 -1.466 0.759 -1.527 1.00 0.00 ATOM 40 O ILE 10 -1.115 4.585 -3.200 1.00 0.00 ATOM 41 C ILE 10 -0.230 4.754 -2.350 1.00 0.00 ATOM 42 N VAL 11 0.995 5.167 -2.637 1.00 0.00 ATOM 43 CA VAL 11 1.390 5.430 -4.025 1.00 0.00 ATOM 44 CB VAL 11 2.082 6.799 -4.164 1.00 0.00 ATOM 45 CG1 VAL 11 2.515 7.032 -5.603 1.00 0.00 ATOM 46 CG2 VAL 11 1.135 7.918 -3.759 1.00 0.00 ATOM 47 O VAL 11 3.391 4.141 -3.696 1.00 0.00 ATOM 48 C VAL 11 2.351 4.278 -4.348 1.00 0.00 ATOM 49 N THR 12 2.012 3.453 -5.344 1.00 0.00 ATOM 50 CA THR 12 2.842 2.288 -5.676 1.00 0.00 ATOM 51 CB THR 12 2.140 0.970 -5.297 1.00 0.00 ATOM 52 CG2 THR 12 1.757 0.973 -3.826 1.00 0.00 ATOM 53 OG1 THR 12 0.953 0.815 -6.086 1.00 0.00 ATOM 54 O THR 12 2.585 2.918 -7.965 1.00 0.00 ATOM 55 C THR 12 3.172 2.192 -7.159 1.00 0.00 ATOM 56 N GLU 13 4.133 1.322 -7.494 1.00 0.00 ATOM 57 CA GLU 13 4.477 1.084 -8.899 1.00 0.00 ATOM 58 CB GLU 13 5.702 0.173 -9.004 1.00 0.00 ATOM 59 CG GLU 13 6.185 -0.056 -10.428 1.00 0.00 ATOM 60 CD GLU 13 7.432 -0.916 -10.488 1.00 0.00 ATOM 61 OE1 GLU 13 7.911 -1.345 -9.417 1.00 0.00 ATOM 62 OE2 GLU 13 7.929 -1.162 -11.607 1.00 0.00 ATOM 63 O GLU 13 2.593 -0.478 -8.977 1.00 0.00 ATOM 64 C GLU 13 3.249 0.411 -9.543 1.00 0.00 ATOM 65 N LYS 14 2.884 0.867 -10.742 1.00 0.00 ATOM 66 CA LYS 14 1.724 0.336 -11.456 1.00 0.00 ATOM 67 CB LYS 14 1.692 0.862 -12.893 1.00 0.00 ATOM 68 CG LYS 14 0.498 0.384 -13.703 1.00 0.00 ATOM 69 CD LYS 14 0.490 1.002 -15.091 1.00 0.00 ATOM 70 CE LYS 14 -0.687 0.501 -15.911 1.00 0.00 ATOM 71 NZ LYS 14 -0.712 1.101 -17.274 1.00 0.00 ATOM 72 O LYS 14 0.558 -1.727 -11.430 1.00 0.00 ATOM 73 C LYS 14 1.639 -1.172 -11.583 1.00 0.00 ATOM 74 N VAL 15 2.765 -1.829 -11.855 1.00 0.00 ATOM 75 CA VAL 15 2.718 -3.284 -12.029 1.00 0.00 ATOM 76 CB VAL 15 4.051 -3.831 -12.572 1.00 0.00 ATOM 77 CG1 VAL 15 4.364 -3.219 -13.930 1.00 0.00 ATOM 78 CG2 VAL 15 5.191 -3.499 -11.621 1.00 0.00 ATOM 79 O VAL 15 2.203 -5.268 -10.771 1.00 0.00 ATOM 80 C VAL 15 2.440 -4.055 -10.739 1.00 0.00 ATOM 81 N LEU 16 2.463 -3.358 -9.607 1.00 0.00 ATOM 82 CA LEU 16 2.207 -4.008 -8.331 1.00 0.00 ATOM 83 CB LEU 16 2.996 -3.323 -7.213 1.00 0.00 ATOM 84 CG LEU 16 4.520 -3.362 -7.337 1.00 0.00 ATOM 85 CD1 LEU 16 5.171 -2.562 -6.220 1.00 0.00 ATOM 86 CD2 LEU 16 5.030 -4.794 -7.257 1.00 0.00 ATOM 87 O LEU 16 0.333 -4.578 -6.950 1.00 0.00 ATOM 88 C LEU 16 0.730 -3.964 -7.943 1.00 0.00 ATOM 89 N LEU 17 -0.091 -3.290 -8.738 1.00 0.00 ATOM 90 CA LEU 17 -1.493 -3.139 -8.394 1.00 0.00 ATOM 91 CB LEU 17 -2.235 -2.375 -9.493 1.00 0.00 ATOM 92 CG LEU 17 -3.732 -2.155 -9.272 1.00 0.00 ATOM 93 CD1 LEU 17 -3.977 -1.326 -8.021 1.00 0.00 ATOM 94 CD2 LEU 17 -4.348 -1.423 -10.455 1.00 0.00 ATOM 95 O LEU 17 -2.964 -4.583 -7.173 1.00 0.00 ATOM 96 C LEU 17 -2.303 -4.425 -8.192 1.00 0.00 ATOM 97 N LYS 18 -2.265 -5.350 -9.142 1.00 0.00 ATOM 98 CA LYS 18 -3.055 -6.570 -8.956 1.00 0.00 ATOM 99 CB LYS 18 -2.887 -7.504 -10.156 1.00 0.00 ATOM 100 CG LYS 18 -3.547 -7.004 -11.430 1.00 0.00 ATOM 101 CD LYS 18 -3.344 -7.981 -12.578 1.00 0.00 ATOM 102 CE LYS 18 -3.983 -7.468 -13.857 1.00 0.00 ATOM 103 NZ LYS 18 -3.761 -8.399 -14.999 1.00 0.00 ATOM 104 O LYS 18 -3.493 -7.798 -6.952 1.00 0.00 ATOM 105 C LYS 18 -2.638 -7.343 -7.708 1.00 0.00 ATOM 106 N LYS 19 -1.337 -7.467 -7.482 1.00 0.00 ATOM 107 CA LYS 19 -0.831 -8.175 -6.296 1.00 0.00 ATOM 108 CB LYS 19 0.699 -8.190 -6.293 1.00 0.00 ATOM 109 CG LYS 19 1.313 -9.073 -7.367 1.00 0.00 ATOM 110 CD LYS 19 2.832 -9.039 -7.307 1.00 0.00 ATOM 111 CE LYS 19 3.446 -9.903 -8.397 1.00 0.00 ATOM 112 NZ LYS 19 4.935 -9.851 -8.373 1.00 0.00 ATOM 113 O LYS 19 -1.737 -8.186 -4.070 1.00 0.00 ATOM 114 C LYS 19 -1.293 -7.514 -5.000 1.00 0.00 ATOM 115 N VAL 20 -1.172 -6.191 -4.935 1.00 0.00 ATOM 116 CA VAL 20 -1.588 -5.468 -3.742 1.00 0.00 ATOM 117 CB VAL 20 -1.240 -3.971 -3.839 1.00 0.00 ATOM 118 CG1 VAL 20 -1.847 -3.206 -2.673 1.00 0.00 ATOM 119 CG2 VAL 20 0.268 -3.771 -3.811 1.00 0.00 ATOM 120 O VAL 20 -3.555 -5.794 -2.409 1.00 0.00 ATOM 121 C VAL 20 -3.095 -5.584 -3.539 1.00 0.00 ATOM 122 N ALA 21 -3.872 -5.457 -4.618 1.00 0.00 ATOM 123 CA ALA 21 -5.325 -5.571 -4.524 1.00 0.00 ATOM 124 CB ALA 21 -5.962 -5.373 -5.891 1.00 0.00 ATOM 125 O ALA 21 -6.563 -7.093 -3.099 1.00 0.00 ATOM 126 C ALA 21 -5.722 -6.966 -3.993 1.00 0.00 ATOM 127 N LYS 22 -5.092 -7.997 -4.542 1.00 0.00 ATOM 128 CA LYS 22 -5.385 -9.364 -4.129 1.00 0.00 ATOM 129 CB LYS 22 -4.569 -10.360 -4.956 1.00 0.00 ATOM 130 CG LYS 22 -5.007 -10.470 -6.407 1.00 0.00 ATOM 131 CD LYS 22 -4.158 -11.476 -7.167 1.00 0.00 ATOM 132 CE LYS 22 -4.580 -11.567 -8.623 1.00 0.00 ATOM 133 NZ LYS 22 -3.735 -12.525 -9.388 1.00 0.00 ATOM 134 O LYS 22 -5.829 -10.149 -1.904 1.00 0.00 ATOM 135 C LYS 22 -5.041 -9.565 -2.656 1.00 0.00 ATOM 136 N ILE 23 -3.884 -9.059 -2.243 1.00 0.00 ATOM 137 CA ILE 23 -3.447 -9.176 -0.844 1.00 0.00 ATOM 138 CB ILE 23 -2.050 -8.565 -0.635 1.00 0.00 ATOM 139 CG1 ILE 23 -1.002 -9.343 -1.432 1.00 0.00 ATOM 140 CG2 ILE 23 -1.665 -8.607 0.836 1.00 0.00 ATOM 141 CD1 ILE 23 -0.878 -10.794 -1.025 1.00 0.00 ATOM 142 O ILE 23 -4.682 -8.939 1.221 1.00 0.00 ATOM 143 C ILE 23 -4.409 -8.455 0.115 1.00 0.00 ATOM 144 N ILE 24 -4.921 -7.290 -0.295 1.00 0.00 ATOM 145 CA ILE 24 -5.830 -6.542 0.546 1.00 0.00 ATOM 146 CB ILE 24 -6.071 -5.123 -0.003 1.00 0.00 ATOM 147 CG1 ILE 24 -4.790 -4.291 0.096 1.00 0.00 ATOM 148 CG2 ILE 24 -7.164 -4.423 0.790 1.00 0.00 ATOM 149 CD1 ILE 24 -4.857 -2.979 -0.656 1.00 0.00 ATOM 150 O ILE 24 -7.791 -7.245 1.700 1.00 0.00 ATOM 151 C ILE 24 -7.182 -7.233 0.640 1.00 0.00 ATOM 152 N GLU 25 -7.653 -7.801 -0.465 1.00 0.00 ATOM 153 CA GLU 25 -8.937 -8.483 -0.436 1.00 0.00 ATOM 154 CB GLU 25 -9.310 -8.984 -1.832 1.00 0.00 ATOM 155 CG GLU 25 -9.676 -7.880 -2.810 1.00 0.00 ATOM 156 CD GLU 25 -9.919 -8.401 -4.213 1.00 0.00 ATOM 157 OE1 GLU 25 -9.729 -9.614 -4.438 1.00 0.00 ATOM 158 OE2 GLU 25 -10.300 -7.594 -5.088 1.00 0.00 ATOM 159 O GLU 25 -9.754 -9.931 1.297 1.00 0.00 ATOM 160 C GLU 25 -8.827 -9.666 0.519 1.00 0.00 ATOM 161 N GLU 26 -7.678 -10.339 0.458 1.00 0.00 ATOM 162 CA GLU 26 -7.387 -11.514 1.285 1.00 0.00 ATOM 163 CB GLU 26 -5.989 -12.055 0.974 1.00 0.00 ATOM 164 CG GLU 26 -5.870 -12.721 -0.386 1.00 0.00 ATOM 165 CD GLU 26 -4.452 -13.160 -0.698 1.00 0.00 ATOM 166 OE1 GLU 26 -3.551 -12.880 0.119 1.00 0.00 ATOM 167 OE2 GLU 26 -4.243 -13.782 -1.760 1.00 0.00 ATOM 168 O GLU 26 -7.763 -12.164 3.535 1.00 0.00 ATOM 169 C GLU 26 -7.420 -11.259 2.769 1.00 0.00 ATOM 170 N ALA 27 -7.014 -10.060 3.188 1.00 0.00 ATOM 171 CA ALA 27 -7.062 -9.727 4.603 1.00 0.00 ATOM 172 CB ALA 27 -5.932 -8.773 4.961 1.00 0.00 ATOM 173 O ALA 27 -8.569 -8.537 6.052 1.00 0.00 ATOM 174 C ALA 27 -8.391 -9.058 4.950 1.00 0.00 ATOM 175 N GLY 28 -9.332 -9.079 4.008 1.00 0.00 ATOM 176 CA GLY 28 -10.653 -8.544 4.297 1.00 0.00 ATOM 177 O GLY 28 -12.175 -6.725 4.296 1.00 0.00 ATOM 178 C GLY 28 -11.094 -7.157 3.890 1.00 0.00 ATOM 179 N ALA 29 -10.291 -6.454 3.097 1.00 0.00 ATOM 180 CA ALA 29 -10.663 -5.109 2.651 1.00 0.00 ATOM 181 CB ALA 29 -9.506 -4.458 1.909 1.00 0.00 ATOM 182 O ALA 29 -11.835 -5.774 0.647 1.00 0.00 ATOM 183 C ALA 29 -11.872 -5.144 1.706 1.00 0.00 ATOM 184 N THR 30 -12.938 -4.452 2.093 1.00 0.00 ATOM 185 CA THR 30 -14.144 -4.439 1.281 1.00 0.00 ATOM 186 CB THR 30 -15.370 -3.995 2.099 1.00 0.00 ATOM 187 CG2 THR 30 -15.600 -4.939 3.269 1.00 0.00 ATOM 188 OG1 THR 30 -15.157 -2.672 2.606 1.00 0.00 ATOM 189 O THR 30 -14.738 -3.851 -0.958 1.00 0.00 ATOM 190 C THR 30 -14.136 -3.521 0.072 1.00 0.00 ATOM 191 N GLY 31 -13.480 -2.368 0.186 1.00 0.00 ATOM 192 CA GLY 31 -13.446 -1.456 -0.941 1.00 0.00 ATOM 193 O GLY 31 -11.340 -0.593 -0.160 1.00 0.00 ATOM 194 C GLY 31 -12.135 -0.712 -1.105 1.00 0.00 ATOM 195 N TYR 32 -11.884 -0.236 -2.322 1.00 0.00 ATOM 196 CA TYR 32 -10.672 0.527 -2.575 1.00 0.00 ATOM 197 CB TYR 32 -9.483 -0.411 -2.788 1.00 0.00 ATOM 198 CG TYR 32 -9.642 -1.342 -3.970 1.00 0.00 ATOM 199 CD1 TYR 32 -9.194 -0.974 -5.231 1.00 0.00 ATOM 200 CD2 TYR 32 -10.239 -2.587 -3.818 1.00 0.00 ATOM 201 CE1 TYR 32 -9.334 -1.819 -6.316 1.00 0.00 ATOM 202 CE2 TYR 32 -10.388 -3.445 -4.891 1.00 0.00 ATOM 203 CZ TYR 32 -9.928 -3.050 -6.146 1.00 0.00 ATOM 204 OH TYR 32 -10.071 -3.893 -7.225 1.00 0.00 ATOM 205 O TYR 32 -11.551 0.986 -4.759 1.00 0.00 ATOM 206 C TYR 32 -10.857 1.379 -3.823 1.00 0.00 ATOM 207 N THR 33 -10.231 2.549 -3.817 1.00 0.00 ATOM 208 CA THR 33 -10.323 3.495 -4.922 1.00 0.00 ATOM 209 CB THR 33 -10.839 4.866 -4.449 1.00 0.00 ATOM 210 CG2 THR 33 -10.918 5.838 -5.618 1.00 0.00 ATOM 211 OG1 THR 33 -12.146 4.719 -3.881 1.00 0.00 ATOM 212 O THR 33 -7.937 3.895 -4.769 1.00 0.00 ATOM 213 C THR 33 -8.903 3.640 -5.498 1.00 0.00 ATOM 214 N VAL 34 -8.793 3.492 -6.813 1.00 0.00 ATOM 215 CA VAL 34 -7.503 3.549 -7.504 1.00 0.00 ATOM 216 CB VAL 34 -7.216 2.246 -8.273 1.00 0.00 ATOM 217 CG1 VAL 34 -5.893 2.345 -9.017 1.00 0.00 ATOM 218 CG2 VAL 34 -7.139 1.067 -7.314 1.00 0.00 ATOM 219 O VAL 34 -8.438 4.887 -9.273 1.00 0.00 ATOM 220 C VAL 34 -7.479 4.694 -8.507 1.00 0.00 ATOM 221 N VAL 35 -6.400 5.474 -8.468 1.00 0.00 ATOM 222 CA VAL 35 -6.233 6.616 -9.364 1.00 0.00 ATOM 223 CB VAL 35 -6.252 7.948 -8.591 1.00 0.00 ATOM 224 CG1 VAL 35 -6.028 9.117 -9.538 1.00 0.00 ATOM 225 CG2 VAL 35 -7.591 8.142 -7.897 1.00 0.00 ATOM 226 O VAL 35 -3.879 6.129 -9.525 1.00 0.00 ATOM 227 C VAL 35 -4.895 6.513 -10.104 1.00 0.00 ATOM 228 N ASP 36 -4.898 6.808 -11.406 1.00 0.00 ATOM 229 CA ASP 36 -3.636 6.837 -12.149 1.00 0.00 ATOM 230 CB ASP 36 -3.892 6.671 -13.648 1.00 0.00 ATOM 231 CG ASP 36 -2.609 6.590 -14.453 1.00 0.00 ATOM 232 OD1 ASP 36 -1.522 6.735 -13.854 1.00 0.00 ATOM 233 OD2 ASP 36 -2.691 6.382 -15.681 1.00 0.00 ATOM 234 O ASP 36 -3.624 9.250 -12.045 1.00 0.00 ATOM 235 C ASP 36 -2.995 8.206 -11.857 1.00 0.00 ATOM 236 N THR 37 -1.748 8.208 -11.398 1.00 0.00 ATOM 237 CA THR 37 -1.060 9.455 -11.063 1.00 0.00 ATOM 238 CB THR 37 -1.009 9.679 -9.540 1.00 0.00 ATOM 239 CG2 THR 37 -0.073 8.674 -8.885 1.00 0.00 ATOM 240 OG1 THR 37 -0.533 11.003 -9.264 1.00 0.00 ATOM 241 O THR 37 0.746 8.402 -12.270 1.00 0.00 ATOM 242 C THR 37 0.376 9.381 -11.606 1.00 0.00 ATOM 243 N GLY 38 1.159 10.436 -11.391 1.00 0.00 ATOM 244 CA GLY 38 2.566 10.425 -11.805 1.00 0.00 ATOM 245 O GLY 38 2.770 11.730 -9.799 1.00 0.00 ATOM 246 C GLY 38 3.324 10.972 -10.614 1.00 0.00 ATOM 247 N GLY 39 4.586 10.597 -10.484 1.00 0.00 ATOM 248 CA GLY 39 5.314 11.125 -9.353 1.00 0.00 ATOM 249 O GLY 39 7.348 10.504 -10.420 1.00 0.00 ATOM 250 C GLY 39 6.807 10.954 -9.410 1.00 0.00 ATOM 254 N THR 56 8.622 12.904 -14.164 1.00 0.00 ATOM 255 CA THR 56 7.517 12.178 -13.541 1.00 0.00 ATOM 256 CB THR 56 6.178 12.914 -13.728 1.00 0.00 ATOM 257 CG2 THR 56 5.051 12.154 -13.044 1.00 0.00 ATOM 258 OG1 THR 56 6.267 14.225 -13.159 1.00 0.00 ATOM 259 O THR 56 7.515 10.630 -15.374 1.00 0.00 ATOM 260 C THR 56 7.386 10.792 -14.159 1.00 0.00 ATOM 261 N ASP 57 7.130 9.801 -13.319 1.00 0.00 ATOM 262 CA ASP 57 6.942 8.426 -13.764 1.00 0.00 ATOM 263 CB ASP 57 7.964 7.502 -13.099 1.00 0.00 ATOM 264 CG ASP 57 9.389 7.822 -13.503 1.00 0.00 ATOM 265 OD1 ASP 57 9.649 7.936 -14.719 1.00 0.00 ATOM 266 OD2 ASP 57 10.245 7.958 -12.604 1.00 0.00 ATOM 267 O ASP 57 4.989 8.466 -12.348 1.00 0.00 ATOM 268 C ASP 57 5.532 8.007 -13.375 1.00 0.00 ATOM 269 N SER 58 4.912 7.124 -14.162 1.00 0.00 ATOM 270 CA SER 58 3.548 6.710 -13.787 1.00 0.00 ATOM 271 CB SER 58 2.933 5.839 -14.884 1.00 0.00 ATOM 272 OG SER 58 1.652 5.367 -14.502 1.00 0.00 ATOM 273 O SER 58 4.414 5.086 -12.248 1.00 0.00 ATOM 274 C SER 58 3.524 5.903 -12.492 1.00 0.00 ATOM 275 N ASN 59 2.516 6.165 -11.653 1.00 0.00 ATOM 276 CA ASN 59 2.335 5.450 -10.396 1.00 0.00 ATOM 277 CB ASN 59 2.861 6.282 -9.225 1.00 0.00 ATOM 278 CG ASN 59 4.361 6.502 -9.295 1.00 0.00 ATOM 279 ND2 ASN 59 4.765 7.742 -9.542 1.00 0.00 ATOM 280 OD1 ASN 59 5.142 5.565 -9.129 1.00 0.00 ATOM 281 O ASN 59 0.018 5.733 -11.015 1.00 0.00 ATOM 282 C ASN 59 0.847 5.210 -10.245 1.00 0.00 ATOM 283 N VAL 60 0.491 4.393 -9.259 1.00 0.00 ATOM 284 CA VAL 60 -0.908 4.136 -9.000 1.00 0.00 ATOM 285 CB VAL 60 -1.261 2.654 -9.223 1.00 0.00 ATOM 286 CG1 VAL 60 -2.725 2.401 -8.903 1.00 0.00 ATOM 287 CG2 VAL 60 -1.009 2.259 -10.670 1.00 0.00 ATOM 288 O VAL 60 -0.403 4.131 -6.683 1.00 0.00 ATOM 289 C VAL 60 -1.177 4.511 -7.550 1.00 0.00 ATOM 290 N LYS 61 -2.241 5.280 -7.314 1.00 0.00 ATOM 291 CA LYS 61 -2.644 5.637 -5.959 1.00 0.00 ATOM 292 CB LYS 61 -3.099 7.097 -5.903 1.00 0.00 ATOM 293 CG LYS 61 -1.984 8.105 -6.131 1.00 0.00 ATOM 294 CD LYS 61 -2.518 9.528 -6.137 1.00 0.00 ATOM 295 CE LYS 61 -1.411 10.530 -6.416 1.00 0.00 ATOM 296 NZ LYS 61 -1.929 11.926 -6.480 1.00 0.00 ATOM 297 O LYS 61 -4.756 4.518 -6.285 1.00 0.00 ATOM 298 C LYS 61 -3.795 4.732 -5.538 1.00 0.00 ATOM 299 N PHE 62 -3.684 4.172 -4.337 1.00 0.00 ATOM 300 CA PHE 62 -4.720 3.331 -3.792 1.00 0.00 ATOM 301 CB PHE 62 -4.173 1.935 -3.490 1.00 0.00 ATOM 302 CG PHE 62 -3.725 1.183 -4.712 1.00 0.00 ATOM 303 CD1 PHE 62 -2.412 1.254 -5.142 1.00 0.00 ATOM 304 CD2 PHE 62 -4.616 0.405 -5.430 1.00 0.00 ATOM 305 CE1 PHE 62 -1.999 0.564 -6.266 1.00 0.00 ATOM 306 CE2 PHE 62 -4.204 -0.287 -6.552 1.00 0.00 ATOM 307 CZ PHE 62 -2.901 -0.210 -6.972 1.00 0.00 ATOM 308 O PHE 62 -4.346 4.506 -1.738 1.00 0.00 ATOM 309 C PHE 62 -5.168 4.024 -2.524 1.00 0.00 ATOM 310 N GLU 63 -6.478 4.107 -2.355 1.00 0.00 ATOM 311 CA GLU 63 -7.043 4.688 -1.146 1.00 0.00 ATOM 312 CB GLU 63 -7.817 5.967 -1.476 1.00 0.00 ATOM 313 CG GLU 63 -8.439 6.645 -0.265 1.00 0.00 ATOM 314 CD GLU 63 -9.166 7.925 -0.626 1.00 0.00 ATOM 315 OE1 GLU 63 -9.235 8.251 -1.829 1.00 0.00 ATOM 316 OE2 GLU 63 -9.667 8.602 0.296 1.00 0.00 ATOM 317 O GLU 63 -8.862 3.144 -1.223 1.00 0.00 ATOM 318 C GLU 63 -7.977 3.659 -0.542 1.00 0.00 ATOM 319 N VAL 64 -7.799 3.378 0.748 1.00 0.00 ATOM 320 CA VAL 64 -8.714 2.486 1.438 1.00 0.00 ATOM 321 CB VAL 64 -8.084 1.100 1.671 1.00 0.00 ATOM 322 CG1 VAL 64 -9.046 0.199 2.431 1.00 0.00 ATOM 323 CG2 VAL 64 -7.751 0.438 0.343 1.00 0.00 ATOM 324 O VAL 64 -8.137 3.762 3.354 1.00 0.00 ATOM 325 C VAL 64 -9.018 3.158 2.764 1.00 0.00 ATOM 326 N LEU 65 -10.269 3.088 3.197 1.00 0.00 ATOM 327 CA LEU 65 -10.664 3.654 4.470 1.00 0.00 ATOM 328 CB LEU 65 -11.859 4.594 4.291 1.00 0.00 ATOM 329 CG LEU 65 -12.424 5.220 5.568 1.00 0.00 ATOM 330 CD1 LEU 65 -11.417 6.174 6.191 1.00 0.00 ATOM 331 CD2 LEU 65 -13.694 6.003 5.266 1.00 0.00 ATOM 332 O LEU 65 -11.847 1.605 4.951 1.00 0.00 ATOM 333 C LEU 65 -11.032 2.457 5.344 1.00 0.00 ATOM 334 N THR 66 -10.411 2.389 6.522 1.00 0.00 ATOM 335 CA THR 66 -10.587 1.244 7.417 1.00 0.00 ATOM 336 CB THR 66 -9.379 0.292 7.359 1.00 0.00 ATOM 337 CG2 THR 66 -9.119 -0.155 5.928 1.00 0.00 ATOM 338 OG1 THR 66 -8.212 0.962 7.855 1.00 0.00 ATOM 339 O THR 66 -10.501 2.789 9.255 1.00 0.00 ATOM 340 C THR 66 -10.751 1.648 8.882 1.00 0.00 ATOM 341 N ASN 68 -11.189 0.695 9.713 1.00 0.00 ATOM 342 CA ASN 68 -11.305 0.950 11.158 1.00 0.00 ATOM 343 CB ASN 68 -11.989 -0.228 11.855 1.00 0.00 ATOM 344 CG ASN 68 -13.467 -0.323 11.527 1.00 0.00 ATOM 345 ND2 ASN 68 -14.039 -1.506 11.716 1.00 0.00 ATOM 346 OD1 ASN 68 -14.082 0.655 11.106 1.00 0.00 ATOM 347 O ASN 68 -8.937 0.577 11.210 1.00 0.00 ATOM 348 C ASN 68 -9.900 1.136 11.734 1.00 0.00 ATOM 349 N ARG 69 -9.783 1.922 12.807 1.00 0.00 ATOM 350 CA ARG 69 -8.481 2.184 13.424 1.00 0.00 ATOM 351 CB ARG 69 -8.656 2.932 14.746 1.00 0.00 ATOM 352 CG ARG 69 -9.107 4.375 14.589 1.00 0.00 ATOM 353 CD ARG 69 -9.310 5.043 15.938 1.00 0.00 ATOM 354 NE ARG 69 -9.795 6.413 15.804 1.00 0.00 ATOM 355 CZ ARG 69 -10.167 7.178 16.827 1.00 0.00 ATOM 356 NH1 ARG 69 -10.595 8.414 16.609 1.00 0.00 ATOM 357 NH2 ARG 69 -10.109 6.705 18.064 1.00 0.00 ATOM 358 O ARG 69 -6.486 0.858 13.502 1.00 0.00 ATOM 359 C ARG 69 -7.701 0.906 13.728 1.00 0.00 ATOM 360 N GLU 70 -8.389 -0.129 14.218 1.00 0.00 ATOM 361 CA GLU 70 -7.713 -1.390 14.573 1.00 0.00 ATOM 362 CB GLU 70 -8.657 -2.299 15.363 1.00 0.00 ATOM 363 CG GLU 70 -8.999 -1.782 16.751 1.00 0.00 ATOM 364 CD GLU 70 -10.019 -2.651 17.461 1.00 0.00 ATOM 365 OE1 GLU 70 -10.476 -3.645 16.857 1.00 0.00 ATOM 366 OE2 GLU 70 -10.361 -2.339 18.621 1.00 0.00 ATOM 367 O GLU 70 -6.524 -3.236 13.588 1.00 0.00 ATOM 368 C GLU 70 -7.218 -2.231 13.394 1.00 0.00 ATOM 369 N MET 71 -7.560 -1.818 12.177 1.00 0.00 ATOM 370 CA MET 71 -7.152 -2.532 10.994 1.00 0.00 ATOM 371 CB MET 71 -8.342 -2.739 10.055 1.00 0.00 ATOM 372 CG MET 71 -9.443 -3.611 10.634 1.00 0.00 ATOM 373 SD MET 71 -8.891 -5.293 10.979 1.00 0.00 ATOM 374 CE MET 71 -8.660 -5.921 9.317 1.00 0.00 ATOM 375 O MET 71 -5.539 -2.341 9.244 1.00 0.00 ATOM 376 C MET 71 -6.079 -1.799 10.203 1.00 0.00 ATOM 377 N ALA 72 -5.727 -0.591 10.633 1.00 0.00 ATOM 378 CA ALA 72 -4.724 0.176 9.892 1.00 0.00 ATOM 379 CB ALA 72 -4.472 1.514 10.570 1.00 0.00 ATOM 380 O ALA 72 -2.838 -0.638 8.658 1.00 0.00 ATOM 381 C ALA 72 -3.373 -0.507 9.774 1.00 0.00 ATOM 382 N GLU 73 -2.807 -0.969 10.894 1.00 0.00 ATOM 383 CA GLU 73 -1.490 -1.601 10.826 1.00 0.00 ATOM 384 CB GLU 73 -1.050 -2.073 12.214 1.00 0.00 ATOM 385 CG GLU 73 -0.697 -0.944 13.169 1.00 0.00 ATOM 386 CD GLU 73 -0.385 -1.442 14.566 1.00 0.00 ATOM 387 OE1 GLU 73 -0.516 -2.660 14.807 1.00 0.00 ATOM 388 OE2 GLU 73 -0.008 -0.613 15.421 1.00 0.00 ATOM 389 O GLU 73 -0.441 -2.986 9.175 1.00 0.00 ATOM 390 C GLU 73 -1.410 -2.822 9.921 1.00 0.00 ATOM 391 N LYS 74 -2.423 -3.679 9.967 1.00 0.00 ATOM 392 CA LYS 74 -2.424 -4.854 9.104 1.00 0.00 ATOM 393 CB LYS 74 -3.662 -5.713 9.369 1.00 0.00 ATOM 394 CG LYS 74 -3.647 -6.426 10.711 1.00 0.00 ATOM 395 CD LYS 74 -4.902 -7.260 10.907 1.00 0.00 ATOM 396 CE LYS 74 -4.898 -7.954 12.260 1.00 0.00 ATOM 397 NZ LYS 74 -6.137 -8.749 12.480 1.00 0.00 ATOM 398 O LYS 74 -1.745 -4.978 6.805 1.00 0.00 ATOM 399 C LYS 74 -2.430 -4.411 7.637 1.00 0.00 ATOM 400 N ILE 75 -3.201 -3.384 7.311 1.00 0.00 ATOM 401 CA ILE 75 -3.234 -2.923 5.922 1.00 0.00 ATOM 402 CB ILE 75 -4.308 -1.838 5.713 1.00 0.00 ATOM 403 CG1 ILE 75 -5.700 -2.407 5.991 1.00 0.00 ATOM 404 CG2 ILE 75 -4.273 -1.324 4.282 1.00 0.00 ATOM 405 CD1 ILE 75 -6.079 -3.562 5.091 1.00 0.00 ATOM 406 O ILE 75 -1.402 -2.607 4.441 1.00 0.00 ATOM 407 C ILE 75 -1.899 -2.335 5.521 1.00 0.00 ATOM 408 N ALA 76 -1.309 -1.529 6.393 1.00 0.00 ATOM 409 CA ALA 76 -0.012 -0.949 6.090 1.00 0.00 ATOM 410 CB ALA 76 0.461 -0.075 7.241 1.00 0.00 ATOM 411 O ALA 76 1.765 -2.000 4.876 1.00 0.00 ATOM 412 C ALA 76 1.025 -2.041 5.859 1.00 0.00 ATOM 413 N ASP 77 1.086 -3.028 6.743 1.00 0.00 ATOM 414 CA ASP 77 2.082 -4.084 6.572 1.00 0.00 ATOM 415 CB ASP 77 2.043 -5.053 7.754 1.00 0.00 ATOM 416 CG ASP 77 2.623 -4.455 9.019 1.00 0.00 ATOM 417 OD1 ASP 77 3.266 -3.388 8.931 1.00 0.00 ATOM 418 OD2 ASP 77 2.435 -5.051 10.100 1.00 0.00 ATOM 419 O ASP 77 2.799 -5.269 4.607 1.00 0.00 ATOM 420 C ASP 77 1.852 -4.899 5.301 1.00 0.00 ATOM 421 N GLN 78 0.592 -5.146 4.979 1.00 0.00 ATOM 422 CA GLN 78 0.251 -5.889 3.773 1.00 0.00 ATOM 423 CB GLN 78 -1.259 -6.126 3.698 1.00 0.00 ATOM 424 CG GLN 78 -1.791 -7.072 4.763 1.00 0.00 ATOM 425 CD GLN 78 -1.196 -8.461 4.659 1.00 0.00 ATOM 426 OE1 GLN 78 -1.099 -9.025 3.569 1.00 0.00 ATOM 427 NE2 GLN 78 -0.797 -9.020 5.795 1.00 0.00 ATOM 428 O GLN 78 1.261 -5.684 1.597 1.00 0.00 ATOM 429 C GLN 78 0.680 -5.110 2.529 1.00 0.00 ATOM 430 N VAL 79 0.431 -3.800 2.491 1.00 0.00 ATOM 431 CA VAL 79 0.858 -3.027 1.330 1.00 0.00 ATOM 432 CB VAL 79 0.355 -1.573 1.402 1.00 0.00 ATOM 433 CG1 VAL 79 0.966 -0.741 0.285 1.00 0.00 ATOM 434 CG2 VAL 79 -1.160 -1.527 1.261 1.00 0.00 ATOM 435 O VAL 79 2.969 -3.214 0.204 1.00 0.00 ATOM 436 C VAL 79 2.393 -3.002 1.258 1.00 0.00 ATOM 437 N ALA 80 3.062 -2.777 2.387 1.00 0.00 ATOM 438 CA ALA 80 4.518 -2.734 2.370 1.00 0.00 ATOM 439 CB ALA 80 5.058 -2.503 3.773 1.00 0.00 ATOM 440 O ALA 80 6.005 -4.017 0.970 1.00 0.00 ATOM 441 C ALA 80 5.133 -4.033 1.848 1.00 0.00 ATOM 442 N ILE 81 4.656 -5.157 2.366 1.00 0.00 ATOM 443 CA ILE 81 5.208 -6.447 1.988 1.00 0.00 ATOM 444 CB ILE 81 4.638 -7.582 2.860 1.00 0.00 ATOM 445 CG1 ILE 81 5.135 -7.448 4.300 1.00 0.00 ATOM 446 CG2 ILE 81 5.075 -8.936 2.323 1.00 0.00 ATOM 447 CD1 ILE 81 4.426 -8.360 5.278 1.00 0.00 ATOM 448 O ILE 81 5.762 -7.479 -0.094 1.00 0.00 ATOM 449 C ILE 81 4.930 -6.844 0.558 1.00 0.00 ATOM 450 N LYS 82 3.771 -6.436 0.058 1.00 0.00 ATOM 451 CA LYS 82 3.386 -6.789 -1.297 1.00 0.00 ATOM 452 CB LYS 82 1.862 -6.824 -1.427 1.00 0.00 ATOM 453 CG LYS 82 1.366 -7.240 -2.804 1.00 0.00 ATOM 454 CD LYS 82 1.617 -8.717 -3.057 1.00 0.00 ATOM 455 CE LYS 82 1.095 -9.139 -4.420 1.00 0.00 ATOM 456 NZ LYS 82 1.213 -10.609 -4.629 1.00 0.00 ATOM 457 O LYS 82 4.139 -6.280 -3.505 1.00 0.00 ATOM 458 C LYS 82 3.875 -5.838 -2.381 1.00 0.00 ATOM 459 N PHE 83 4.015 -4.550 -2.061 1.00 0.00 ATOM 460 CA PHE 83 4.441 -3.545 -3.053 1.00 0.00 ATOM 461 CB PHE 83 3.802 -2.189 -2.750 1.00 0.00 ATOM 462 CG PHE 83 2.310 -2.169 -2.932 1.00 0.00 ATOM 463 CD1 PHE 83 1.464 -2.286 -1.842 1.00 0.00 ATOM 464 CD2 PHE 83 1.753 -2.031 -4.191 1.00 0.00 ATOM 465 CE1 PHE 83 0.092 -2.268 -2.008 1.00 0.00 ATOM 466 CE2 PHE 83 0.381 -2.012 -4.357 1.00 0.00 ATOM 467 CZ PHE 83 -0.449 -2.130 -3.272 1.00 0.00 ATOM 468 O PHE 83 6.414 -2.648 -4.065 1.00 0.00 ATOM 469 C PHE 83 5.944 -3.281 -3.133 1.00 0.00 ATOM 470 N PHE 84 6.664 -3.755 -2.130 1.00 0.00 ATOM 471 CA PHE 84 8.103 -3.574 -1.984 1.00 0.00 ATOM 472 CB PHE 84 8.560 -4.018 -0.593 1.00 0.00 ATOM 473 CG PHE 84 10.026 -3.805 -0.342 1.00 0.00 ATOM 474 CD1 PHE 84 10.519 -2.545 -0.051 1.00 0.00 ATOM 475 CD2 PHE 84 10.913 -4.866 -0.397 1.00 0.00 ATOM 476 CE1 PHE 84 11.866 -2.350 0.182 1.00 0.00 ATOM 477 CE2 PHE 84 12.262 -4.672 -0.166 1.00 0.00 ATOM 478 CZ PHE 84 12.739 -3.420 0.123 1.00 0.00 ATOM 479 O PHE 84 8.594 -5.542 -3.267 1.00 0.00 ATOM 480 C PHE 84 8.908 -4.382 -3.005 1.00 0.00 ATOM 481 N THR 85 9.936 -3.762 -3.568 1.00 0.00 ATOM 482 CA THR 85 10.821 -4.442 -4.516 1.00 0.00 ATOM 483 CB THR 85 10.701 -3.844 -5.930 1.00 0.00 ATOM 484 CG2 THR 85 9.267 -3.946 -6.431 1.00 0.00 ATOM 485 OG1 THR 85 11.085 -2.462 -5.902 1.00 0.00 ATOM 486 O THR 85 13.145 -5.035 -4.353 1.00 0.00 ATOM 487 C THR 85 12.249 -4.269 -4.007 1.00 0.00 ATOM 488 N ASP 86 12.451 -3.249 -3.180 1.00 0.00 ATOM 489 CA ASP 86 13.771 -2.980 -2.640 1.00 0.00 ATOM 490 CB ASP 86 14.612 -4.256 -2.622 1.00 0.00 ATOM 491 CG ASP 86 14.842 -4.822 -4.010 1.00 0.00 ATOM 492 OD1 ASP 86 13.847 -5.066 -4.724 1.00 0.00 ATOM 493 OD2 ASP 86 16.017 -5.023 -4.382 1.00 0.00 ATOM 494 O ASP 86 15.578 -1.488 -3.108 1.00 0.00 ATOM 495 C ASP 86 14.498 -1.947 -3.473 1.00 0.00 ATOM 496 N TYR 87 13.893 -1.578 -4.598 1.00 0.00 ATOM 497 CA TYR 87 14.464 -0.596 -5.508 1.00 0.00 ATOM 498 CB TYR 87 14.191 -0.990 -6.961 1.00 0.00 ATOM 499 CG TYR 87 14.819 -2.306 -7.367 1.00 0.00 ATOM 500 CD1 TYR 87 14.054 -3.463 -7.450 1.00 0.00 ATOM 501 CD2 TYR 87 16.172 -2.385 -7.666 1.00 0.00 ATOM 502 CE1 TYR 87 14.619 -4.668 -7.820 1.00 0.00 ATOM 503 CE2 TYR 87 16.755 -3.581 -8.038 1.00 0.00 ATOM 504 CZ TYR 87 15.963 -4.729 -8.113 1.00 0.00 ATOM 505 OH TYR 87 16.529 -5.928 -8.482 1.00 0.00 ATOM 506 O TYR 87 12.767 0.869 -4.662 1.00 0.00 ATOM 507 C TYR 87 13.847 0.768 -5.249 1.00 0.00 ATOM 508 N ALA 88 9.642 2.688 -4.905 1.00 0.00 ATOM 509 CA ALA 88 8.596 1.790 -4.408 1.00 0.00 ATOM 510 CB ALA 88 9.119 0.960 -3.246 1.00 0.00 ATOM 511 O ALA 88 6.258 2.044 -3.946 1.00 0.00 ATOM 512 C ALA 88 7.370 2.558 -3.918 1.00 0.00 ATOM 513 N GLY 89 7.571 3.786 -3.463 1.00 0.00 ATOM 514 CA GLY 89 6.430 4.567 -3.003 1.00 0.00 ATOM 515 O GLY 89 7.170 4.424 -0.727 1.00 0.00 ATOM 516 C GLY 89 6.302 4.796 -1.513 1.00 0.00 ATOM 517 N ILE 90 5.194 5.418 -1.125 1.00 0.00 ATOM 518 CA ILE 90 4.960 5.752 0.277 1.00 0.00 ATOM 519 CB ILE 90 5.331 7.215 0.577 1.00 0.00 ATOM 520 CG1 ILE 90 4.497 8.166 -0.284 1.00 0.00 ATOM 521 CG2 ILE 90 6.802 7.464 0.281 1.00 0.00 ATOM 522 CD1 ILE 90 4.649 9.623 0.089 1.00 0.00 ATOM 523 O ILE 90 2.651 5.504 -0.269 1.00 0.00 ATOM 524 C ILE 90 3.500 5.556 0.620 1.00 0.00 ATOM 525 N ILE 91 3.230 5.467 1.921 1.00 0.00 ATOM 526 CA ILE 91 1.889 5.289 2.454 1.00 0.00 ATOM 527 CB ILE 91 1.737 3.927 3.158 1.00 0.00 ATOM 528 CG1 ILE 91 1.993 2.785 2.171 1.00 0.00 ATOM 529 CG2 ILE 91 0.334 3.772 3.722 1.00 0.00 ATOM 530 CD1 ILE 91 2.070 1.421 2.822 1.00 0.00 ATOM 531 O ILE 91 2.503 6.697 4.302 1.00 0.00 ATOM 532 C ILE 91 1.652 6.411 3.454 1.00 0.00 ATOM 533 N TYR 92 0.488 7.043 3.350 1.00 0.00 ATOM 534 CA TYR 92 0.118 8.130 4.233 1.00 0.00 ATOM 535 CB TYR 92 -0.183 9.396 3.427 1.00 0.00 ATOM 536 CG TYR 92 -0.626 10.568 4.272 1.00 0.00 ATOM 537 CD1 TYR 92 0.299 11.319 4.987 1.00 0.00 ATOM 538 CD2 TYR 92 -1.966 10.922 4.352 1.00 0.00 ATOM 539 CE1 TYR 92 -0.096 12.394 5.760 1.00 0.00 ATOM 540 CE2 TYR 92 -2.380 11.992 5.123 1.00 0.00 ATOM 541 CZ TYR 92 -1.431 12.729 5.830 1.00 0.00 ATOM 542 OH TYR 92 -1.827 13.799 6.601 1.00 0.00 ATOM 543 O TYR 92 -2.042 7.134 4.416 1.00 0.00 ATOM 544 C TYR 92 -1.118 7.703 4.999 1.00 0.00 ATOM 545 N ILE 93 -1.131 7.969 6.307 1.00 0.00 ATOM 546 CA ILE 93 -2.303 7.628 7.123 1.00 0.00 ATOM 547 CB ILE 93 -1.899 6.873 8.404 1.00 0.00 ATOM 548 CG1 ILE 93 -1.190 5.565 8.051 1.00 0.00 ATOM 549 CG2 ILE 93 -3.128 6.546 9.238 1.00 0.00 ATOM 550 CD1 ILE 93 -0.572 4.864 9.241 1.00 0.00 ATOM 551 O ILE 93 -2.319 9.813 8.120 1.00 0.00 ATOM 552 C ILE 93 -2.945 8.965 7.464 1.00 0.00 ATOM 553 N CYS 94 -4.194 9.140 7.028 1.00 0.00 ATOM 554 CA CYS 94 -4.948 10.401 7.180 1.00 0.00 ATOM 555 CB CYS 94 -5.326 10.968 5.811 1.00 0.00 ATOM 556 SG CYS 94 -6.228 12.534 5.874 1.00 0.00 ATOM 557 O CYS 94 -6.953 9.206 7.705 1.00 0.00 ATOM 558 C CYS 94 -6.226 10.150 7.977 1.00 0.00 ATOM 559 N GLU 95 -6.511 10.996 8.966 1.00 0.00 ATOM 560 CA GLU 95 -7.724 10.788 9.757 1.00 0.00 ATOM 561 CB GLU 95 -7.762 11.755 10.942 1.00 0.00 ATOM 562 CG GLU 95 -8.947 11.550 11.872 1.00 0.00 ATOM 563 CD GLU 95 -8.922 12.489 13.063 1.00 0.00 ATOM 564 OE1 GLU 95 -7.986 13.310 13.152 1.00 0.00 ATOM 565 OE2 GLU 95 -9.841 12.404 13.905 1.00 0.00 ATOM 566 O GLU 95 -9.068 11.880 8.106 1.00 0.00 ATOM 567 C GLU 95 -9.006 11.005 8.963 1.00 0.00 ATOM 568 N ALA 96 -10.022 10.204 9.258 1.00 0.00 ATOM 569 CA ALA 96 -11.321 10.330 8.610 1.00 0.00 ATOM 570 CB ALA 96 -11.617 9.098 7.769 1.00 0.00 ATOM 571 O ALA 96 -12.364 9.614 10.646 1.00 0.00 ATOM 572 C ALA 96 -12.314 10.469 9.750 1.00 0.00 ATOM 573 N GLU 97 -13.071 11.563 9.754 1.00 0.00 ATOM 574 CA GLU 97 -14.028 11.802 10.849 1.00 0.00 ATOM 575 CB GLU 97 -14.338 13.295 10.973 1.00 0.00 ATOM 576 CG GLU 97 -13.134 14.152 11.327 1.00 0.00 ATOM 577 CD GLU 97 -13.432 15.637 11.258 1.00 0.00 ATOM 578 OE1 GLU 97 -14.565 15.996 10.873 1.00 0.00 ATOM 579 OE2 GLU 97 -12.535 16.440 11.585 1.00 0.00 ATOM 580 O GLU 97 -16.053 10.821 11.688 1.00 0.00 ATOM 581 C GLU 97 -15.370 11.106 10.693 1.00 0.00 ATOM 582 N VAL 98 -17.761 8.438 7.688 1.00 0.00 ATOM 583 CA VAL 98 -17.865 7.723 6.420 1.00 0.00 ATOM 584 CB VAL 98 -17.101 6.387 6.461 1.00 0.00 ATOM 585 CG1 VAL 98 -17.759 5.427 7.442 1.00 0.00 ATOM 586 CG2 VAL 98 -17.092 5.736 5.087 1.00 0.00 ATOM 587 O VAL 98 -20.059 7.090 7.167 1.00 0.00 ATOM 588 C VAL 98 -19.354 7.488 6.224 1.00 0.00 ATOM 589 N LEU 99 -19.848 7.732 5.019 1.00 0.00 ATOM 590 CA LEU 99 -21.279 7.537 4.746 1.00 0.00 ATOM 591 CB LEU 99 -21.966 8.884 4.507 1.00 0.00 ATOM 592 CG LEU 99 -23.451 8.832 4.146 1.00 0.00 ATOM 593 CD1 LEU 99 -24.273 8.320 5.320 1.00 0.00 ATOM 594 CD2 LEU 99 -23.964 10.215 3.774 1.00 0.00 ATOM 595 O LEU 99 -20.892 6.967 2.452 1.00 0.00 ATOM 596 C LEU 99 -21.464 6.669 3.503 1.00 0.00 ATOM 597 N TYR 100 -22.275 5.612 3.625 1.00 0.00 ATOM 598 CA TYR 100 -22.565 4.718 2.497 1.00 0.00 ATOM 599 CB TYR 100 -22.993 3.340 3.002 1.00 0.00 ATOM 600 CG TYR 100 -21.869 2.533 3.611 1.00 0.00 ATOM 601 CD1 TYR 100 -21.695 2.480 4.989 1.00 0.00 ATOM 602 CD2 TYR 100 -20.983 1.828 2.806 1.00 0.00 ATOM 603 CE1 TYR 100 -20.670 1.745 5.553 1.00 0.00 ATOM 604 CE2 TYR 100 -19.952 1.089 3.354 1.00 0.00 ATOM 605 CZ TYR 100 -19.801 1.052 4.739 1.00 0.00 ATOM 606 OH TYR 100 -18.779 0.320 5.299 1.00 0.00 ATOM 607 O TYR 100 -24.782 5.626 2.223 1.00 0.00 ATOM 608 C TYR 100 -23.697 5.374 1.706 1.00 0.00 ATOM 609 N GLY 101 -23.450 5.684 0.436 1.00 0.00 ATOM 610 CA GLY 101 -24.464 6.375 -0.335 1.00 0.00 ATOM 611 O GLY 101 -26.859 6.183 -0.482 1.00 0.00 ATOM 612 C GLY 101 -25.769 5.603 -0.564 1.00 0.00 ATOM 613 N ARG 102 -25.662 4.309 -0.814 1.00 0.00 ATOM 614 CA ARG 102 -26.845 3.505 -1.086 1.00 0.00 ATOM 615 CB ARG 102 -26.454 2.052 -1.358 1.00 0.00 ATOM 616 CG ARG 102 -25.747 1.837 -2.685 1.00 0.00 ATOM 617 CD ARG 102 -25.323 0.387 -2.858 1.00 0.00 ATOM 618 NE ARG 102 -24.616 0.170 -4.118 1.00 0.00 ATOM 619 CZ ARG 102 -24.076 -0.988 -4.481 1.00 0.00 ATOM 620 NH1 ARG 102 -23.452 -1.094 -5.646 1.00 0.00 ATOM 621 NH2 ARG 102 -24.160 -2.041 -3.677 1.00 0.00 ATOM 622 O ARG 102 -29.075 3.492 -0.179 1.00 0.00 ATOM 623 C ARG 102 -27.855 3.469 0.040 1.00 0.00 ATOM 624 N THR 103 -27.337 3.448 1.258 1.00 0.00 ATOM 625 CA THR 103 -28.183 3.303 2.432 1.00 0.00 ATOM 626 CB THR 103 -27.769 2.084 3.278 1.00 0.00 ATOM 627 CG2 THR 103 -27.852 0.810 2.452 1.00 0.00 ATOM 628 OG1 THR 103 -26.423 2.253 3.738 1.00 0.00 ATOM 629 O THR 103 -29.132 4.485 4.277 1.00 0.00 ATOM 630 C THR 103 -28.229 4.435 3.446 1.00 0.00 ATOM 631 N PHE 104 -27.251 5.330 3.411 1.00 0.00 ATOM 632 CA PHE 104 -27.215 6.370 4.417 1.00 0.00 ATOM 633 CB PHE 104 -28.632 6.818 4.778 1.00 0.00 ATOM 634 CG PHE 104 -29.409 7.369 3.616 1.00 0.00 ATOM 635 CD1 PHE 104 -30.464 6.658 3.070 1.00 0.00 ATOM 636 CD2 PHE 104 -29.084 8.597 3.068 1.00 0.00 ATOM 637 CE1 PHE 104 -31.177 7.164 2.001 1.00 0.00 ATOM 638 CE2 PHE 104 -29.798 9.104 1.999 1.00 0.00 ATOM 639 CZ PHE 104 -30.841 8.392 1.465 1.00 0.00 ATOM 640 O PHE 104 -26.425 6.623 6.648 1.00 0.00 ATOM 641 C PHE 104 -26.532 5.872 5.690 1.00 0.00 ATOM 642 N CYS 105 -26.064 4.619 5.720 1.00 0.00 ATOM 643 CA CYS 105 -25.362 4.099 6.906 1.00 0.00 ATOM 644 CB CYS 105 -25.021 2.619 6.722 1.00 0.00 ATOM 645 SG CYS 105 -26.460 1.530 6.618 1.00 0.00 ATOM 646 O CYS 105 -23.485 5.373 6.118 1.00 0.00 ATOM 647 C CYS 105 -24.070 4.905 7.090 1.00 0.00 ATOM 648 N GLY 106 -23.655 5.074 8.347 1.00 0.00 ATOM 649 CA GLY 106 -22.435 5.825 8.651 1.00 0.00 ATOM 650 O GLY 106 -21.794 4.003 10.090 1.00 0.00 ATOM 651 C GLY 106 -21.477 5.076 9.551 1.00 0.00 ATOM 652 N PRO 107 -20.291 5.658 9.703 1.00 0.00 ATOM 653 CA PRO 107 -19.284 5.079 10.563 1.00 0.00 ATOM 654 CB PRO 107 -19.800 5.356 11.976 1.00 0.00 ATOM 655 CG PRO 107 -21.281 5.445 11.824 1.00 0.00 ATOM 656 CD PRO 107 -21.525 6.070 10.478 1.00 0.00 ATOM 657 O PRO 107 -18.866 3.060 9.282 1.00 0.00 ATOM 658 C PRO 107 -19.054 3.591 10.396 1.00 0.00 ATOM 659 N ASP 108 -19.049 2.908 11.534 1.00 0.00 ATOM 660 CA ASP 108 -18.819 1.472 11.569 1.00 0.00 ATOM 661 CB ASP 108 -19.046 0.928 12.981 1.00 0.00 ATOM 662 CG ASP 108 -17.948 1.332 13.945 1.00 0.00 ATOM 663 OD1 ASP 108 -16.912 1.851 13.480 1.00 0.00 ATOM 664 OD2 ASP 108 -18.123 1.127 15.164 1.00 0.00 ATOM 665 O ASP 108 -19.370 -0.344 10.133 1.00 0.00 ATOM 666 C ASP 108 -19.739 0.704 10.641 1.00 0.00 ATOM 667 N GLY 109 -20.937 1.232 10.402 1.00 0.00 ATOM 668 CA GLY 109 -21.895 0.549 9.549 1.00 0.00 ATOM 669 O GLY 109 -22.218 0.086 7.219 1.00 0.00 ATOM 670 C GLY 109 -21.653 0.788 8.063 1.00 0.00 TER END