PFRMAT TS TARGET T0387 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 T0387 model 1 Mon May 5 19:36:26 2008 MODEL 1 PARENT N/A ATOM 1 N SER 1 4.444 37.529 14.240 1.00 0.00 ATOM 2 CA SER 1 4.916 36.377 13.421 1.00 0.00 ATOM 3 CB SER 1 6.392 36.548 13.056 1.00 0.00 ATOM 4 OG SER 1 7.210 36.512 14.212 1.00 0.00 ATOM 5 O SER 1 3.723 34.785 14.753 1.00 0.00 ATOM 6 C SER 1 4.769 35.068 14.168 1.00 0.00 ATOM 7 N MET 2 5.815 34.254 14.145 1.00 0.00 ATOM 8 CA MET 2 5.751 32.994 14.848 1.00 0.00 ATOM 9 CB MET 2 5.673 31.831 13.857 1.00 0.00 ATOM 10 CG MET 2 4.426 31.837 12.989 1.00 0.00 ATOM 11 SD MET 2 4.341 30.417 11.881 1.00 0.00 ATOM 12 CE MET 2 3.914 29.113 13.033 1.00 0.00 ATOM 13 O MET 2 8.040 33.332 15.507 1.00 0.00 ATOM 14 C MET 2 6.968 32.768 15.726 1.00 0.00 ATOM 15 N LYS 3 6.776 31.935 16.734 1.00 0.00 ATOM 16 CA LYS 3 7.819 31.631 17.699 1.00 0.00 ATOM 17 CB LYS 3 7.260 30.783 18.844 1.00 0.00 ATOM 18 CG LYS 3 6.256 31.511 19.722 1.00 0.00 ATOM 19 CD LYS 3 5.768 30.623 20.857 1.00 0.00 ATOM 20 CE LYS 3 4.767 31.351 21.736 1.00 0.00 ATOM 21 NZ LYS 3 4.287 30.496 22.858 1.00 0.00 ATOM 22 O LYS 3 8.870 30.133 16.159 1.00 0.00 ATOM 23 C LYS 3 8.999 30.861 17.144 1.00 0.00 ATOM 24 N PRO 4 10.180 31.038 17.756 1.00 0.00 ATOM 25 CA PRO 4 11.363 30.304 17.311 1.00 0.00 ATOM 26 CB PRO 4 12.495 30.873 18.170 1.00 0.00 ATOM 27 CG PRO 4 12.012 32.224 18.579 1.00 0.00 ATOM 28 CD PRO 4 10.530 32.093 18.783 1.00 0.00 ATOM 29 O PRO 4 10.238 28.550 18.516 1.00 0.00 ATOM 30 C PRO 4 11.017 28.843 17.605 1.00 0.00 ATOM 31 N LYS 5 11.631 27.931 16.859 1.00 0.00 ATOM 32 CA LYS 5 11.346 26.508 16.947 1.00 0.00 ATOM 33 CB LYS 5 10.618 26.029 15.690 1.00 0.00 ATOM 34 CG LYS 5 9.229 26.622 15.512 1.00 0.00 ATOM 35 CD LYS 5 8.548 26.071 14.271 1.00 0.00 ATOM 36 CE LYS 5 7.189 26.718 14.054 1.00 0.00 ATOM 37 NZ LYS 5 6.510 26.188 12.839 1.00 0.00 ATOM 38 O LYS 5 13.623 26.029 16.439 1.00 0.00 ATOM 39 C LYS 5 12.633 25.710 17.087 1.00 0.00 ATOM 40 N LEU 6 12.619 24.683 17.928 1.00 0.00 ATOM 41 CA LEU 6 13.806 23.847 18.117 1.00 0.00 ATOM 42 CB LEU 6 13.927 23.412 19.579 1.00 0.00 ATOM 43 CG LEU 6 14.077 24.533 20.610 1.00 0.00 ATOM 44 CD1 LEU 6 14.111 23.965 22.020 1.00 0.00 ATOM 45 CD2 LEU 6 15.366 25.307 20.379 1.00 0.00 ATOM 46 O LEU 6 12.750 21.865 17.285 1.00 0.00 ATOM 47 C LEU 6 13.741 22.594 17.256 1.00 0.00 ATOM 48 N CYS 7 14.800 22.356 16.487 1.00 0.00 ATOM 49 CA CYS 7 14.910 21.179 15.626 1.00 0.00 ATOM 50 CB CYS 7 15.157 21.597 14.176 1.00 0.00 ATOM 51 SG CYS 7 13.838 22.599 13.450 1.00 0.00 ATOM 52 O CYS 7 17.202 20.869 16.243 1.00 0.00 ATOM 53 C CYS 7 16.082 20.362 16.150 1.00 0.00 ATOM 54 N ARG 8 15.837 19.104 16.492 1.00 0.00 ATOM 55 CA ARG 8 16.888 18.249 17.026 1.00 0.00 ATOM 56 CB ARG 8 16.410 17.542 18.296 1.00 0.00 ATOM 57 CG ARG 8 16.084 18.484 19.444 1.00 0.00 ATOM 58 CD ARG 8 15.542 17.725 20.643 1.00 0.00 ATOM 59 NE ARG 8 15.243 18.613 21.765 1.00 0.00 ATOM 60 CZ ARG 8 14.870 18.196 22.969 1.00 0.00 ATOM 61 NH1 ARG 8 14.618 19.076 23.928 1.00 0.00 ATOM 62 NH2 ARG 8 14.749 16.898 23.214 1.00 0.00 ATOM 63 O ARG 8 16.536 16.246 15.746 1.00 0.00 ATOM 64 C ARG 8 17.282 17.190 16.004 1.00 0.00 ATOM 65 N LEU 9 18.460 17.362 15.416 1.00 0.00 ATOM 66 CA LEU 9 18.935 16.456 14.374 1.00 0.00 ATOM 67 CB LEU 9 19.682 17.233 13.287 1.00 0.00 ATOM 68 CG LEU 9 18.816 17.919 12.229 1.00 0.00 ATOM 69 CD1 LEU 9 17.852 18.899 12.876 1.00 0.00 ATOM 70 CD2 LEU 9 19.682 18.685 11.241 1.00 0.00 ATOM 71 O LEU 9 20.787 15.643 15.660 1.00 0.00 ATOM 72 C LEU 9 19.894 15.374 14.854 1.00 0.00 ATOM 73 N ALA 10 19.713 14.157 14.353 1.00 0.00 ATOM 74 CA ALA 10 20.597 13.034 14.672 1.00 0.00 ATOM 75 CB ALA 10 19.783 11.782 14.957 1.00 0.00 ATOM 76 O ALA 10 20.954 12.585 12.353 1.00 0.00 ATOM 77 C ALA 10 21.472 12.857 13.434 1.00 0.00 ATOM 78 N LYS 11 22.791 12.994 13.575 1.00 0.00 ATOM 79 CA LYS 11 23.654 12.885 12.398 1.00 0.00 ATOM 80 CB LYS 11 25.122 13.055 12.793 1.00 0.00 ATOM 81 CG LYS 11 26.087 13.036 11.620 1.00 0.00 ATOM 82 CD LYS 11 27.517 13.275 12.075 1.00 0.00 ATOM 83 CE LYS 11 28.479 13.281 10.898 1.00 0.00 ATOM 84 NZ LYS 11 29.887 13.489 11.332 1.00 0.00 ATOM 85 O LYS 11 23.490 10.485 12.361 1.00 0.00 ATOM 86 C LYS 11 23.518 11.534 11.709 1.00 0.00 ATOM 87 N GLY 12 23.441 11.582 10.380 1.00 0.00 ATOM 88 CA GLY 12 23.258 10.385 9.578 1.00 0.00 ATOM 89 O GLY 12 25.558 10.464 8.946 1.00 0.00 ATOM 90 C GLY 12 24.472 9.903 8.808 1.00 0.00 ATOM 91 N GLU 13 24.299 8.875 7.953 1.00 0.00 ATOM 92 CA GLU 13 25.397 8.312 7.166 1.00 0.00 ATOM 93 CB GLU 13 24.857 7.345 6.109 1.00 0.00 ATOM 94 CG GLU 13 25.935 6.594 5.347 1.00 0.00 ATOM 95 CD GLU 13 25.363 5.577 4.379 1.00 0.00 ATOM 96 OE1 GLU 13 24.121 5.483 4.280 1.00 0.00 ATOM 97 OE2 GLU 13 26.157 4.874 3.717 1.00 0.00 ATOM 98 O GLU 13 27.466 9.066 6.264 1.00 0.00 ATOM 99 C GLU 13 26.262 9.290 6.396 1.00 0.00 ATOM 100 N ASN 14 25.672 10.368 5.892 1.00 0.00 ATOM 101 CA ASN 14 26.440 11.353 5.145 1.00 0.00 ATOM 102 CB ASN 14 25.871 11.522 3.735 1.00 0.00 ATOM 103 CG ASN 14 24.448 12.043 3.740 1.00 0.00 ATOM 104 ND2 ASN 14 23.880 12.221 2.553 1.00 0.00 ATOM 105 OD1 ASN 14 23.866 12.282 4.799 1.00 0.00 ATOM 106 O ASN 14 26.828 13.713 5.177 1.00 0.00 ATOM 107 C ASN 14 26.433 12.728 5.799 1.00 0.00 ATOM 108 N GLY 15 26.005 12.801 7.055 1.00 0.00 ATOM 109 CA GLY 15 25.981 14.086 7.733 1.00 0.00 ATOM 110 O GLY 15 23.680 13.675 8.257 1.00 0.00 ATOM 111 C GLY 15 24.573 14.511 8.114 1.00 0.00 ATOM 112 N TYR 16 24.383 15.815 8.273 1.00 0.00 ATOM 113 CA TYR 16 23.073 16.362 8.628 1.00 0.00 ATOM 114 CB TYR 16 23.232 17.667 9.409 1.00 0.00 ATOM 115 CG TYR 16 23.890 17.496 10.760 1.00 0.00 ATOM 116 CD1 TYR 16 25.233 17.800 10.940 1.00 0.00 ATOM 117 CD2 TYR 16 23.165 17.032 11.850 1.00 0.00 ATOM 118 CE1 TYR 16 25.843 17.648 12.171 1.00 0.00 ATOM 119 CE2 TYR 16 23.758 16.873 13.089 1.00 0.00 ATOM 120 CZ TYR 16 25.108 17.186 13.242 1.00 0.00 ATOM 121 OH TYR 16 25.712 17.033 14.469 1.00 0.00 ATOM 122 O TYR 16 21.004 16.674 7.469 1.00 0.00 ATOM 123 C TYR 16 22.225 16.661 7.398 1.00 0.00 ATOM 124 N GLY 17 22.868 16.937 6.279 1.00 0.00 ATOM 125 CA GLY 17 22.104 17.140 5.065 1.00 0.00 ATOM 126 O GLY 17 20.344 18.482 4.215 1.00 0.00 ATOM 127 C GLY 17 21.435 18.461 4.790 1.00 0.00 ATOM 128 N PHE 18 22.037 19.562 5.212 1.00 0.00 ATOM 129 CA PHE 18 21.473 20.852 4.863 1.00 0.00 ATOM 130 CB PHE 18 20.694 21.436 6.045 1.00 0.00 ATOM 131 CG PHE 18 21.551 21.748 7.238 1.00 0.00 ATOM 132 CD1 PHE 18 22.100 23.008 7.404 1.00 0.00 ATOM 133 CD2 PHE 18 21.809 20.782 8.197 1.00 0.00 ATOM 134 CE1 PHE 18 22.887 23.295 8.503 1.00 0.00 ATOM 135 CE2 PHE 18 22.595 21.069 9.295 1.00 0.00 ATOM 136 CZ PHE 18 23.135 22.319 9.450 1.00 0.00 ATOM 137 O PHE 18 23.786 21.442 4.660 1.00 0.00 ATOM 138 C PHE 18 22.608 21.788 4.494 1.00 0.00 ATOM 139 N HIS 19 22.250 22.962 3.983 1.00 0.00 ATOM 140 CA HIS 19 23.207 23.956 3.527 1.00 0.00 ATOM 141 CB HIS 19 23.202 24.044 2.000 1.00 0.00 ATOM 142 CG HIS 19 23.585 22.767 1.319 1.00 0.00 ATOM 143 CD2 HIS 19 22.864 21.647 0.733 1.00 0.00 ATOM 144 ND1 HIS 19 24.895 22.399 1.112 1.00 0.00 ATOM 145 CE1 HIS 19 24.922 21.211 0.482 1.00 0.00 ATOM 146 NE2 HIS 19 23.707 20.754 0.251 1.00 0.00 ATOM 147 O HIS 19 21.690 25.673 4.198 1.00 0.00 ATOM 148 C HIS 19 22.872 25.326 4.081 1.00 0.00 ATOM 149 N LEU 20 23.922 26.088 4.402 1.00 0.00 ATOM 150 CA LEU 20 23.773 27.428 4.953 1.00 0.00 ATOM 151 CB LEU 20 24.482 27.533 6.304 1.00 0.00 ATOM 152 CG LEU 20 23.997 26.582 7.400 1.00 0.00 ATOM 153 CD1 LEU 20 24.863 26.707 8.643 1.00 0.00 ATOM 154 CD2 LEU 20 22.561 26.897 7.789 1.00 0.00 ATOM 155 O LEU 20 25.292 28.294 3.312 1.00 0.00 ATOM 156 C LEU 20 24.352 28.517 4.070 1.00 0.00 ATOM 157 N ASN 21 23.775 29.704 4.184 1.00 0.00 ATOM 158 CA ASN 21 24.287 30.864 3.478 1.00 0.00 ATOM 159 CB ASN 21 23.880 30.815 2.003 1.00 0.00 ATOM 160 CG ASN 21 22.403 31.091 1.797 1.00 0.00 ATOM 161 ND2 ASN 21 21.945 30.956 0.558 1.00 0.00 ATOM 162 OD1 ASN 21 21.686 31.421 2.741 1.00 0.00 ATOM 163 O ASN 21 22.761 31.983 4.932 1.00 0.00 ATOM 164 C ASN 21 23.696 32.087 4.139 1.00 0.00 ATOM 165 N ALA 22 24.270 33.246 3.849 1.00 0.00 ATOM 166 CA ALA 22 23.755 34.472 4.426 1.00 0.00 ATOM 167 CB ALA 22 24.850 35.527 4.492 1.00 0.00 ATOM 168 O ALA 22 22.284 34.337 2.548 1.00 0.00 ATOM 169 C ALA 22 22.620 34.967 3.550 1.00 0.00 ATOM 170 N ILE 23 22.005 36.080 3.934 1.00 0.00 ATOM 171 CA ILE 23 20.929 36.639 3.135 1.00 0.00 ATOM 172 CB ILE 23 19.567 36.483 3.836 1.00 0.00 ATOM 173 CG1 ILE 23 18.439 36.980 2.928 1.00 0.00 ATOM 174 CG2 ILE 23 19.537 37.289 5.125 1.00 0.00 ATOM 175 CD1 ILE 23 17.056 36.601 3.409 1.00 0.00 ATOM 176 O ILE 23 21.834 38.779 3.713 1.00 0.00 ATOM 177 C ILE 23 21.182 38.113 2.903 1.00 0.00 ATOM 178 N ARG 24 20.665 38.608 1.785 1.00 0.00 ATOM 179 CA ARG 24 20.829 40.001 1.402 1.00 0.00 ATOM 180 CB ARG 24 20.115 40.280 0.077 1.00 0.00 ATOM 181 CG ARG 24 20.353 41.677 -0.472 1.00 0.00 ATOM 182 CD ARG 24 19.647 41.873 -1.804 1.00 0.00 ATOM 183 NE ARG 24 20.167 40.979 -2.837 1.00 0.00 ATOM 184 CZ ARG 24 21.267 41.213 -3.544 1.00 0.00 ATOM 185 NH1 ARG 24 21.663 40.343 -4.462 1.00 0.00 ATOM 186 NH2 ARG 24 21.969 42.317 -3.330 1.00 0.00 ATOM 187 O ARG 24 19.081 40.833 2.819 1.00 0.00 ATOM 188 C ARG 24 20.252 40.946 2.450 1.00 0.00 ATOM 189 N GLY 25 21.092 41.857 2.936 1.00 0.00 ATOM 190 CA GLY 25 20.665 42.819 3.938 1.00 0.00 ATOM 191 O GLY 25 20.256 43.042 6.282 1.00 0.00 ATOM 192 C GLY 25 20.611 42.299 5.362 1.00 0.00 ATOM 193 N LEU 26 20.978 41.036 5.563 1.00 0.00 ATOM 194 CA LEU 26 20.933 40.440 6.896 1.00 0.00 ATOM 195 CB LEU 26 20.052 39.188 6.895 1.00 0.00 ATOM 196 CG LEU 26 18.544 39.422 7.011 1.00 0.00 ATOM 197 CD1 LEU 26 18.021 40.174 5.798 1.00 0.00 ATOM 198 CD2 LEU 26 17.802 38.097 7.106 1.00 0.00 ATOM 199 O LEU 26 23.238 39.760 6.713 1.00 0.00 ATOM 200 C LEU 26 22.285 40.001 7.459 1.00 0.00 ATOM 201 N PRO 27 22.352 39.889 8.784 1.00 0.00 ATOM 202 CA PRO 27 23.581 39.505 9.477 1.00 0.00 ATOM 203 CB PRO 27 23.434 40.130 10.865 1.00 0.00 ATOM 204 CG PRO 27 21.960 40.205 11.087 1.00 0.00 ATOM 205 CD PRO 27 21.351 40.479 9.740 1.00 0.00 ATOM 206 O PRO 27 24.996 37.570 9.542 1.00 0.00 ATOM 207 C PRO 27 23.844 38.010 9.632 1.00 0.00 ATOM 208 N GLY 28 22.787 37.235 9.864 1.00 0.00 ATOM 209 CA GLY 28 22.963 35.812 10.099 1.00 0.00 ATOM 210 O GLY 28 22.933 35.147 7.776 1.00 0.00 ATOM 211 C GLY 28 22.928 34.810 8.962 1.00 0.00 ATOM 212 N SER 29 22.885 33.543 9.365 1.00 0.00 ATOM 213 CA SER 29 22.859 32.432 8.427 1.00 0.00 ATOM 214 CB SER 29 23.792 31.314 8.896 1.00 0.00 ATOM 215 OG SER 29 23.696 30.181 8.050 1.00 0.00 ATOM 216 O SER 29 20.721 31.751 9.264 1.00 0.00 ATOM 217 C SER 29 21.462 31.847 8.290 1.00 0.00 ATOM 218 N PHE 30 21.129 31.446 7.062 1.00 0.00 ATOM 219 CA PHE 30 19.827 30.881 6.728 1.00 0.00 ATOM 220 CB PHE 30 19.046 31.836 5.821 1.00 0.00 ATOM 221 CG PHE 30 18.778 33.178 6.441 1.00 0.00 ATOM 222 CD1 PHE 30 19.641 34.239 6.229 1.00 0.00 ATOM 223 CD2 PHE 30 17.664 33.378 7.236 1.00 0.00 ATOM 224 CE1 PHE 30 19.393 35.474 6.799 1.00 0.00 ATOM 225 CE2 PHE 30 17.417 34.612 7.808 1.00 0.00 ATOM 226 CZ PHE 30 18.277 35.658 7.591 1.00 0.00 ATOM 227 O PHE 30 21.041 29.305 5.393 1.00 0.00 ATOM 228 C PHE 30 20.001 29.563 6.006 1.00 0.00 ATOM 229 N ILE 31 18.981 28.718 6.077 1.00 0.00 ATOM 230 CA ILE 31 19.042 27.425 5.403 1.00 0.00 ATOM 231 CB ILE 31 18.001 26.442 5.972 1.00 0.00 ATOM 232 CG1 ILE 31 18.283 26.167 7.451 1.00 0.00 ATOM 233 CG2 ILE 31 18.048 25.122 5.219 1.00 0.00 ATOM 234 CD1 ILE 31 17.181 25.399 8.149 1.00 0.00 ATOM 235 O ILE 31 17.685 28.034 3.514 1.00 0.00 ATOM 236 C ILE 31 18.765 27.612 3.920 1.00 0.00 ATOM 237 N LYS 32 19.769 27.322 3.110 1.00 0.00 ATOM 238 CA LYS 32 19.652 27.459 1.664 1.00 0.00 ATOM 239 CB LYS 32 21.036 27.496 1.014 1.00 0.00 ATOM 240 CG LYS 32 21.012 27.714 -0.490 1.00 0.00 ATOM 241 CD LYS 32 22.413 27.913 -1.042 1.00 0.00 ATOM 242 CE LYS 32 22.387 28.136 -2.546 1.00 0.00 ATOM 243 NZ LYS 32 23.750 28.382 -3.094 1.00 0.00 ATOM 244 O LYS 32 18.117 26.511 0.071 1.00 0.00 ATOM 245 C LYS 32 18.879 26.306 1.020 1.00 0.00 ATOM 246 N GLU 33 19.076 25.095 1.536 1.00 0.00 ATOM 247 CA GLU 33 18.451 23.907 0.987 1.00 0.00 ATOM 248 CB GLU 33 19.155 23.476 -0.302 1.00 0.00 ATOM 249 CG GLU 33 18.518 22.281 -0.989 1.00 0.00 ATOM 250 CD GLU 33 19.234 21.892 -2.266 1.00 0.00 ATOM 251 OE1 GLU 33 20.242 22.549 -2.605 1.00 0.00 ATOM 252 OE2 GLU 33 18.789 20.932 -2.928 1.00 0.00 ATOM 253 O GLU 33 19.541 22.635 2.696 1.00 0.00 ATOM 254 C GLU 33 18.534 22.773 1.993 1.00 0.00 ATOM 255 N VAL 34 17.461 21.991 2.080 1.00 0.00 ATOM 256 CA VAL 34 17.417 20.814 2.941 1.00 0.00 ATOM 257 CB VAL 34 16.159 20.809 3.828 1.00 0.00 ATOM 258 CG1 VAL 34 16.118 19.556 4.689 1.00 0.00 ATOM 259 CG2 VAL 34 16.148 22.023 4.746 1.00 0.00 ATOM 260 O VAL 34 16.567 19.514 1.091 1.00 0.00 ATOM 261 C VAL 34 17.409 19.613 1.988 1.00 0.00 ATOM 262 N GLN 35 18.353 18.699 2.150 1.00 0.00 ATOM 263 CA GLN 35 18.400 17.548 1.257 1.00 0.00 ATOM 264 CB GLN 35 19.764 16.858 1.344 1.00 0.00 ATOM 265 CG GLN 35 19.915 15.663 0.417 1.00 0.00 ATOM 266 CD GLN 35 21.317 15.086 0.435 1.00 0.00 ATOM 267 OE1 GLN 35 22.202 15.602 1.116 1.00 0.00 ATOM 268 NE2 GLN 35 21.521 14.009 -0.315 1.00 0.00 ATOM 269 O GLN 35 17.137 16.179 2.774 1.00 0.00 ATOM 270 C GLN 35 17.338 16.518 1.606 1.00 0.00 ATOM 271 N LYS 36 16.608 16.026 0.593 1.00 0.00 ATOM 272 CA LYS 36 15.572 15.025 0.834 1.00 0.00 ATOM 273 CB LYS 36 14.954 14.565 -0.488 1.00 0.00 ATOM 274 CG LYS 36 13.809 13.578 -0.328 1.00 0.00 ATOM 275 CD LYS 36 13.201 13.214 -1.673 1.00 0.00 ATOM 276 CE LYS 36 12.038 12.249 -1.511 1.00 0.00 ATOM 277 NZ LYS 36 11.448 11.864 -2.823 1.00 0.00 ATOM 278 O LYS 36 17.221 13.338 1.203 1.00 0.00 ATOM 279 C LYS 36 16.133 13.798 1.541 1.00 0.00 ATOM 280 N GLY 37 15.371 13.288 2.510 1.00 0.00 ATOM 281 CA GLY 37 15.747 12.115 3.279 1.00 0.00 ATOM 282 O GLY 37 17.103 11.407 5.115 1.00 0.00 ATOM 283 C GLY 37 16.769 12.333 4.380 1.00 0.00 ATOM 284 N GLY 38 17.236 13.565 4.516 1.00 0.00 ATOM 285 CA GLY 38 18.263 13.896 5.496 1.00 0.00 ATOM 286 O GLY 38 16.613 14.128 7.204 1.00 0.00 ATOM 287 C GLY 38 17.800 14.028 6.930 1.00 0.00 ATOM 288 N PRO 39 18.753 13.994 7.868 1.00 0.00 ATOM 289 CA PRO 39 18.379 14.158 9.275 1.00 0.00 ATOM 290 CB PRO 39 19.707 14.043 10.027 1.00 0.00 ATOM 291 CG PRO 39 20.569 13.211 9.137 1.00 0.00 ATOM 292 CD PRO 39 20.224 13.613 7.730 1.00 0.00 ATOM 293 O PRO 39 16.841 15.733 10.263 1.00 0.00 ATOM 294 C PRO 39 17.722 15.541 9.430 1.00 0.00 ATOM 295 N ALA 40 18.157 16.503 8.628 1.00 0.00 ATOM 296 CA ALA 40 17.578 17.844 8.674 1.00 0.00 ATOM 297 CB ALA 40 18.291 18.762 7.693 1.00 0.00 ATOM 298 O ALA 40 15.267 18.410 8.953 1.00 0.00 ATOM 299 C ALA 40 16.104 17.776 8.305 1.00 0.00 ATOM 300 N ASP 41 15.771 17.024 7.258 1.00 0.00 ATOM 301 CA ASP 41 14.364 16.908 6.880 1.00 0.00 ATOM 302 CB ASP 41 14.222 16.109 5.583 1.00 0.00 ATOM 303 CG ASP 41 12.792 16.063 5.080 1.00 0.00 ATOM 304 OD1 ASP 41 12.234 17.136 4.776 1.00 0.00 ATOM 305 OD2 ASP 41 12.229 14.951 4.993 1.00 0.00 ATOM 306 O ASP 41 12.478 16.631 8.339 1.00 0.00 ATOM 307 C ASP 41 13.570 16.192 7.981 1.00 0.00 ATOM 308 N LEU 42 14.137 15.121 8.535 1.00 0.00 ATOM 309 CA LEU 42 13.464 14.349 9.585 1.00 0.00 ATOM 310 CB LEU 42 14.320 13.151 10.002 1.00 0.00 ATOM 311 CG LEU 42 14.482 12.039 8.963 1.00 0.00 ATOM 312 CD1 LEU 42 15.484 11.000 9.440 1.00 0.00 ATOM 313 CD2 LEU 42 13.155 11.341 8.710 1.00 0.00 ATOM 314 O LEU 42 12.238 14.903 11.577 1.00 0.00 ATOM 315 C LEU 42 13.196 15.176 10.839 1.00 0.00 ATOM 316 N ALA 43 14.043 16.172 11.085 1.00 0.00 ATOM 317 CA ALA 43 13.890 17.034 12.253 1.00 0.00 ATOM 318 CB ALA 43 15.245 17.550 12.713 1.00 0.00 ATOM 319 O ALA 43 12.819 19.078 12.868 1.00 0.00 ATOM 320 C ALA 43 13.010 18.248 11.979 1.00 0.00 ATOM 321 N GLY 44 12.510 18.369 10.752 1.00 0.00 ATOM 322 CA GLY 44 11.628 19.479 10.421 1.00 0.00 ATOM 323 O GLY 44 11.578 21.813 9.915 1.00 0.00 ATOM 324 C GLY 44 12.247 20.776 9.947 1.00 0.00 ATOM 325 N LEU 45 13.515 20.745 9.561 1.00 0.00 ATOM 326 CA LEU 45 14.143 21.971 9.071 1.00 0.00 ATOM 327 CB LEU 45 15.658 21.791 8.960 1.00 0.00 ATOM 328 CG LEU 45 16.408 21.546 10.272 1.00 0.00 ATOM 329 CD1 LEU 45 17.880 21.266 10.006 1.00 0.00 ATOM 330 CD2 LEU 45 16.314 22.763 11.180 1.00 0.00 ATOM 331 O LEU 45 13.248 21.400 6.911 1.00 0.00 ATOM 332 C LEU 45 13.570 22.299 7.687 1.00 0.00 ATOM 333 N GLU 46 13.467 23.590 7.392 1.00 0.00 ATOM 334 CA GLU 46 12.960 24.068 6.106 1.00 0.00 ATOM 335 CB GLU 46 11.591 24.727 6.281 1.00 0.00 ATOM 336 CG GLU 46 10.503 23.781 6.760 1.00 0.00 ATOM 337 CD GLU 46 9.159 24.466 6.911 1.00 0.00 ATOM 338 OE1 GLU 46 9.090 25.694 6.690 1.00 0.00 ATOM 339 OE2 GLU 46 8.174 23.776 7.249 1.00 0.00 ATOM 340 O GLU 46 14.533 25.881 6.129 1.00 0.00 ATOM 341 C GLU 46 13.875 25.099 5.450 1.00 0.00 ATOM 342 N ASP 47 13.905 25.109 4.117 1.00 0.00 ATOM 343 CA ASP 47 14.684 26.110 3.404 1.00 0.00 ATOM 344 CB ASP 47 14.584 25.891 1.892 1.00 0.00 ATOM 345 CG ASP 47 15.369 24.681 1.425 1.00 0.00 ATOM 346 OD1 ASP 47 16.145 24.128 2.233 1.00 0.00 ATOM 347 OD2 ASP 47 15.207 24.285 0.252 1.00 0.00 ATOM 348 O ASP 47 12.861 27.608 3.918 1.00 0.00 ATOM 349 C ASP 47 14.093 27.463 3.793 1.00 0.00 ATOM 350 N GLU 48 14.963 28.450 3.987 1.00 0.00 ATOM 351 CA GLU 48 14.506 29.772 4.383 1.00 0.00 ATOM 352 CB GLU 48 13.053 29.987 3.955 1.00 0.00 ATOM 353 CG GLU 48 12.852 30.053 2.450 1.00 0.00 ATOM 354 CD GLU 48 11.393 30.201 2.063 1.00 0.00 ATOM 355 OE1 GLU 48 10.537 30.225 2.972 1.00 0.00 ATOM 356 OE2 GLU 48 11.108 30.292 0.851 1.00 0.00 ATOM 357 O GLU 48 14.462 31.150 6.334 1.00 0.00 ATOM 358 C GLU 48 14.565 30.005 5.886 1.00 0.00 ATOM 359 N ASP 49 14.724 28.936 6.669 1.00 0.00 ATOM 360 CA ASP 49 14.819 29.072 8.129 1.00 0.00 ATOM 361 CB ASP 49 14.982 27.700 8.785 1.00 0.00 ATOM 362 CG ASP 49 13.702 26.888 8.762 1.00 0.00 ATOM 363 OD1 ASP 49 12.645 27.456 8.417 1.00 0.00 ATOM 364 OD2 ASP 49 13.756 25.684 9.088 1.00 0.00 ATOM 365 O ASP 49 17.103 29.803 7.916 1.00 0.00 ATOM 366 C ASP 49 16.018 29.931 8.507 1.00 0.00 ATOM 367 N VAL 50 15.825 30.796 9.499 1.00 0.00 ATOM 368 CA VAL 50 16.903 31.645 10.009 1.00 0.00 ATOM 369 CB VAL 50 16.391 33.053 10.368 1.00 0.00 ATOM 370 CG1 VAL 50 17.515 33.897 10.947 1.00 0.00 ATOM 371 CG2 VAL 50 15.852 33.754 9.131 1.00 0.00 ATOM 372 O VAL 50 16.687 30.569 12.139 1.00 0.00 ATOM 373 C VAL 50 17.447 30.955 11.258 1.00 0.00 ATOM 374 N ILE 51 18.764 30.801 11.346 1.00 0.00 ATOM 375 CA ILE 51 19.366 30.161 12.510 1.00 0.00 ATOM 376 CB ILE 51 20.727 29.528 12.165 1.00 0.00 ATOM 377 CG1 ILE 51 20.572 28.520 11.023 1.00 0.00 ATOM 378 CG2 ILE 51 21.299 28.803 13.374 1.00 0.00 ATOM 379 CD1 ILE 51 19.621 27.386 11.335 1.00 0.00 ATOM 380 O ILE 51 20.304 32.155 13.437 1.00 0.00 ATOM 381 C ILE 51 19.598 31.165 13.629 1.00 0.00 ATOM 382 N ILE 52 19.011 30.895 14.793 1.00 0.00 ATOM 383 CA ILE 52 19.161 31.753 15.966 1.00 0.00 ATOM 384 CB ILE 52 17.831 31.902 16.728 1.00 0.00 ATOM 385 CG1 ILE 52 16.787 32.592 15.847 1.00 0.00 ATOM 386 CG2 ILE 52 18.028 32.737 17.984 1.00 0.00 ATOM 387 CD1 ILE 52 15.390 32.577 16.430 1.00 0.00 ATOM 388 O ILE 52 21.062 31.871 17.427 1.00 0.00 ATOM 389 C ILE 52 20.196 31.154 16.924 1.00 0.00 ATOM 390 N GLU 53 20.103 29.850 17.187 1.00 0.00 ATOM 391 CA GLU 53 21.070 29.182 18.070 1.00 0.00 ATOM 392 CB GLU 53 20.467 28.966 19.460 1.00 0.00 ATOM 393 CG GLU 53 20.124 30.252 20.195 1.00 0.00 ATOM 394 CD GLU 53 19.547 29.999 21.573 1.00 0.00 ATOM 395 OE1 GLU 53 19.374 28.816 21.937 1.00 0.00 ATOM 396 OE2 GLU 53 19.271 30.982 22.291 1.00 0.00 ATOM 397 O GLU 53 20.710 27.158 16.846 1.00 0.00 ATOM 398 C GLU 53 21.484 27.828 17.534 1.00 0.00 ATOM 399 N VAL 54 22.715 27.441 17.866 1.00 0.00 ATOM 400 CA VAL 54 23.243 26.119 17.534 1.00 0.00 ATOM 401 CB VAL 54 24.401 26.209 16.523 1.00 0.00 ATOM 402 CG1 VAL 54 24.950 24.826 16.217 1.00 0.00 ATOM 403 CG2 VAL 54 23.924 26.838 15.222 1.00 0.00 ATOM 404 O VAL 54 24.608 26.144 19.519 1.00 0.00 ATOM 405 C VAL 54 23.722 25.567 18.879 1.00 0.00 ATOM 406 N ASN 55 23.118 24.461 19.309 1.00 0.00 ATOM 407 CA ASN 55 23.426 23.834 20.591 1.00 0.00 ATOM 408 CB ASN 55 24.805 23.173 20.547 1.00 0.00 ATOM 409 CG ASN 55 25.020 22.198 21.689 1.00 0.00 ATOM 410 ND2 ASN 55 26.277 22.011 22.075 1.00 0.00 ATOM 411 OD1 ASN 55 24.068 21.621 22.213 1.00 0.00 ATOM 412 O ASN 55 24.341 24.901 22.569 1.00 0.00 ATOM 413 C ASN 55 23.430 24.857 21.729 1.00 0.00 ATOM 414 N GLY 56 22.390 25.689 21.732 1.00 0.00 ATOM 415 CA GLY 56 22.200 26.672 22.783 1.00 0.00 ATOM 416 O GLY 56 22.845 28.796 23.641 1.00 0.00 ATOM 417 C GLY 56 22.996 27.953 22.743 1.00 0.00 ATOM 418 N VAL 57 23.841 28.104 21.729 1.00 0.00 ATOM 419 CA VAL 57 24.672 29.296 21.579 1.00 0.00 ATOM 420 CB VAL 57 26.119 28.931 21.196 1.00 0.00 ATOM 421 CG1 VAL 57 26.950 30.188 20.991 1.00 0.00 ATOM 422 CG2 VAL 57 26.767 28.101 22.294 1.00 0.00 ATOM 423 O VAL 57 23.809 29.727 19.383 1.00 0.00 ATOM 424 C VAL 57 24.100 30.191 20.486 1.00 0.00 ATOM 425 N ASN 58 23.955 31.479 20.777 1.00 0.00 ATOM 426 CA ASN 58 23.412 32.409 19.802 1.00 0.00 ATOM 427 CB ASN 58 23.164 33.774 20.445 1.00 0.00 ATOM 428 CG ASN 58 22.036 33.744 21.459 1.00 0.00 ATOM 429 ND2 ASN 58 22.050 34.696 22.385 1.00 0.00 ATOM 430 OD1 ASN 58 21.166 32.874 21.409 1.00 0.00 ATOM 431 O ASN 58 25.564 32.875 18.816 1.00 0.00 ATOM 432 C ASN 58 24.371 32.606 18.632 1.00 0.00 ATOM 433 N VAL 59 23.855 32.452 17.415 1.00 0.00 ATOM 434 CA VAL 59 24.685 32.591 16.220 1.00 0.00 ATOM 435 CB VAL 59 24.733 31.282 15.411 1.00 0.00 ATOM 436 CG1 VAL 59 25.419 30.186 16.212 1.00 0.00 ATOM 437 CG2 VAL 59 23.326 30.816 15.066 1.00 0.00 ATOM 438 O VAL 59 24.583 33.748 14.114 1.00 0.00 ATOM 439 C VAL 59 24.174 33.675 15.276 1.00 0.00 ATOM 440 N LEU 60 23.303 34.535 15.786 1.00 0.00 ATOM 441 CA LEU 60 22.722 35.593 14.965 1.00 0.00 ATOM 442 CB LEU 60 21.749 36.437 15.789 1.00 0.00 ATOM 443 CG LEU 60 20.456 35.747 16.227 1.00 0.00 ATOM 444 CD1 LEU 60 19.663 36.640 17.171 1.00 0.00 ATOM 445 CD2 LEU 60 19.580 35.431 15.026 1.00 0.00 ATOM 446 O LEU 60 23.450 37.171 13.319 1.00 0.00 ATOM 447 C LEU 60 23.720 36.571 14.366 1.00 0.00 ATOM 448 N ASP 61 24.864 36.738 15.014 1.00 0.00 ATOM 449 CA ASP 61 25.863 37.669 14.513 1.00 0.00 ATOM 450 CB ASP 61 26.233 38.688 15.592 1.00 0.00 ATOM 451 CG ASP 61 26.855 38.042 16.815 1.00 0.00 ATOM 452 OD1 ASP 61 26.968 36.798 16.837 1.00 0.00 ATOM 453 OD2 ASP 61 27.230 38.780 17.751 1.00 0.00 ATOM 454 O ASP 61 28.114 37.691 13.741 1.00 0.00 ATOM 455 C ASP 61 27.155 37.008 14.079 1.00 0.00 ATOM 456 N GLU 62 27.184 35.680 14.076 1.00 0.00 ATOM 457 CA GLU 62 28.396 34.979 13.683 1.00 0.00 ATOM 458 CB GLU 62 28.424 33.574 14.290 1.00 0.00 ATOM 459 CG GLU 62 28.516 33.555 15.807 1.00 0.00 ATOM 460 CD GLU 62 28.629 32.151 16.367 1.00 0.00 ATOM 461 OE1 GLU 62 28.516 31.187 15.580 1.00 0.00 ATOM 462 OE2 GLU 62 28.830 32.014 17.591 1.00 0.00 ATOM 463 O GLU 62 27.559 34.950 11.432 1.00 0.00 ATOM 464 C GLU 62 28.529 34.816 12.179 1.00 0.00 ATOM 465 N PRO 63 29.756 34.546 11.746 1.00 0.00 ATOM 466 CA PRO 63 30.047 34.365 10.332 1.00 0.00 ATOM 467 CB PRO 63 31.559 34.570 10.235 1.00 0.00 ATOM 468 CG PRO 63 32.084 34.100 11.551 1.00 0.00 ATOM 469 CD PRO 63 31.068 34.511 12.577 1.00 0.00 ATOM 470 O PRO 63 29.437 32.053 10.644 1.00 0.00 ATOM 471 C PRO 63 29.645 32.977 9.852 1.00 0.00 ATOM 472 N TYR 64 29.570 32.837 8.536 1.00 0.00 ATOM 473 CA TYR 64 29.252 31.559 7.926 1.00 0.00 ATOM 474 CB TYR 64 29.417 31.634 6.407 1.00 0.00 ATOM 475 CG TYR 64 29.163 30.324 5.698 1.00 0.00 ATOM 476 CD1 TYR 64 27.869 29.903 5.422 1.00 0.00 ATOM 477 CD2 TYR 64 30.219 29.511 5.305 1.00 0.00 ATOM 478 CE1 TYR 64 27.627 28.707 4.774 1.00 0.00 ATOM 479 CE2 TYR 64 29.997 28.311 4.656 1.00 0.00 ATOM 480 CZ TYR 64 28.686 27.913 4.392 1.00 0.00 ATOM 481 OH TYR 64 28.448 26.721 3.746 1.00 0.00 ATOM 482 O TYR 64 29.749 29.408 8.918 1.00 0.00 ATOM 483 C TYR 64 30.194 30.472 8.475 1.00 0.00 ATOM 484 N GLU 65 31.501 30.721 8.460 1.00 0.00 ATOM 485 CA GLU 65 32.413 29.692 8.948 1.00 0.00 ATOM 486 CB GLU 65 33.866 30.155 8.812 1.00 0.00 ATOM 487 CG GLU 65 34.365 30.221 7.379 1.00 0.00 ATOM 488 CD GLU 65 35.762 30.798 7.274 1.00 0.00 ATOM 489 OE1 GLU 65 36.312 31.216 8.315 1.00 0.00 ATOM 490 OE2 GLU 65 36.307 30.833 6.150 1.00 0.00 ATOM 491 O GLU 65 32.293 28.153 10.767 1.00 0.00 ATOM 492 C GLU 65 32.210 29.328 10.401 1.00 0.00 ATOM 493 N LYS 66 31.941 30.330 11.231 1.00 0.00 ATOM 494 CA LYS 66 31.742 30.080 12.651 1.00 0.00 ATOM 495 CB LYS 66 31.529 31.397 13.401 1.00 0.00 ATOM 496 CG LYS 66 31.371 31.237 14.904 1.00 0.00 ATOM 497 CD LYS 66 32.669 30.780 15.549 1.00 0.00 ATOM 498 CE LYS 66 32.552 30.750 17.065 1.00 0.00 ATOM 499 NZ LYS 66 33.820 30.312 17.711 1.00 0.00 ATOM 500 O LYS 66 30.572 28.259 13.665 1.00 0.00 ATOM 501 C LYS 66 30.524 29.198 12.875 1.00 0.00 ATOM 502 N VAL 67 29.442 29.475 12.157 1.00 0.00 ATOM 503 CA VAL 67 28.233 28.680 12.339 1.00 0.00 ATOM 504 CB VAL 67 27.035 29.294 11.592 1.00 0.00 ATOM 505 CG1 VAL 67 25.839 28.356 11.637 1.00 0.00 ATOM 506 CG2 VAL 67 26.631 30.618 12.225 1.00 0.00 ATOM 507 O VAL 67 28.078 26.297 12.461 1.00 0.00 ATOM 508 C VAL 67 28.449 27.268 11.808 1.00 0.00 ATOM 509 N VAL 68 29.052 27.160 10.631 1.00 0.00 ATOM 510 CA VAL 68 29.327 25.859 10.035 1.00 0.00 ATOM 511 CB VAL 68 30.074 25.999 8.695 1.00 0.00 ATOM 512 CG1 VAL 68 30.524 24.635 8.193 1.00 0.00 ATOM 513 CG2 VAL 68 29.171 26.624 7.644 1.00 0.00 ATOM 514 O VAL 68 29.932 23.823 11.159 1.00 0.00 ATOM 515 C VAL 68 30.192 25.008 10.966 1.00 0.00 ATOM 516 N ASP 69 31.219 25.605 11.560 1.00 0.00 ATOM 517 CA ASP 69 32.074 24.847 12.462 1.00 0.00 ATOM 518 CB ASP 69 33.245 25.707 12.938 1.00 0.00 ATOM 519 CG ASP 69 34.282 25.934 11.853 1.00 0.00 ATOM 520 OD1 ASP 69 34.214 25.243 10.814 1.00 0.00 ATOM 521 OD2 ASP 69 35.158 26.803 12.041 1.00 0.00 ATOM 522 O ASP 69 31.669 23.283 14.217 1.00 0.00 ATOM 523 C ASP 69 31.349 24.357 13.704 1.00 0.00 ATOM 524 N ARG 70 30.384 25.129 14.207 1.00 0.00 ATOM 525 CA ARG 70 29.645 24.679 15.384 1.00 0.00 ATOM 526 CB ARG 70 28.674 25.764 15.854 1.00 0.00 ATOM 527 CG ARG 70 29.352 26.985 16.457 1.00 0.00 ATOM 528 CD ARG 70 28.332 28.010 16.921 1.00 0.00 ATOM 529 NE ARG 70 28.967 29.213 17.452 1.00 0.00 ATOM 530 CZ ARG 70 29.416 29.334 18.698 1.00 0.00 ATOM 531 NH1 ARG 70 29.980 30.467 19.092 1.00 0.00 ATOM 532 NH2 ARG 70 29.299 28.322 19.545 1.00 0.00 ATOM 533 O ARG 70 28.657 22.553 15.893 1.00 0.00 ATOM 534 C ARG 70 28.850 23.423 15.044 1.00 0.00 ATOM 535 N ILE 71 28.380 23.336 13.800 1.00 0.00 ATOM 536 CA ILE 71 27.598 22.193 13.351 1.00 0.00 ATOM 537 CB ILE 71 26.776 22.530 12.093 1.00 0.00 ATOM 538 CG1 ILE 71 25.706 23.574 12.419 1.00 0.00 ATOM 539 CG2 ILE 71 26.086 21.285 11.558 1.00 0.00 ATOM 540 CD1 ILE 71 25.016 24.143 11.199 1.00 0.00 ATOM 541 O ILE 71 28.233 19.868 13.425 1.00 0.00 ATOM 542 C ILE 71 28.492 21.002 13.006 1.00 0.00 ATOM 543 N GLN 72 29.575 21.262 12.285 1.00 0.00 ATOM 544 CA GLN 72 30.466 20.176 11.892 1.00 0.00 ATOM 545 CB GLN 72 31.607 20.708 11.023 1.00 0.00 ATOM 546 CG GLN 72 31.177 21.150 9.633 1.00 0.00 ATOM 547 CD GLN 72 32.318 21.742 8.831 1.00 0.00 ATOM 548 OE1 GLN 72 33.439 21.864 9.324 1.00 0.00 ATOM 549 NE2 GLN 72 32.035 22.111 7.587 1.00 0.00 ATOM 550 O GLN 72 31.310 18.260 13.081 1.00 0.00 ATOM 551 C GLN 72 31.091 19.478 13.097 1.00 0.00 ATOM 552 N SER 73 31.368 20.248 14.148 1.00 0.00 ATOM 553 CA SER 73 31.958 19.687 15.360 1.00 0.00 ATOM 554 CB SER 73 32.596 20.789 16.207 1.00 0.00 ATOM 555 OG SER 73 31.615 21.678 16.712 1.00 0.00 ATOM 556 O SER 73 31.347 18.416 17.286 1.00 0.00 ATOM 557 C SER 73 30.958 18.967 16.267 1.00 0.00 ATOM 558 N SER 74 29.675 18.989 15.911 1.00 0.00 ATOM 559 CA SER 74 28.644 18.274 16.680 1.00 0.00 ATOM 560 CB SER 74 27.308 19.015 16.604 1.00 0.00 ATOM 561 OG SER 74 27.413 20.317 17.154 1.00 0.00 ATOM 562 O SER 74 27.937 16.747 14.957 1.00 0.00 ATOM 563 C SER 74 28.612 16.918 15.970 1.00 0.00 ATOM 564 N GLY 75 29.341 15.946 16.508 1.00 0.00 ATOM 565 CA GLY 75 29.480 14.661 15.846 1.00 0.00 ATOM 566 O GLY 75 28.273 12.768 15.085 1.00 0.00 ATOM 567 C GLY 75 28.323 13.694 15.895 1.00 0.00 ATOM 568 N LYS 76 27.396 13.903 16.816 1.00 0.00 ATOM 569 CA LYS 76 26.275 12.980 16.963 1.00 0.00 ATOM 570 CB LYS 76 26.285 12.343 18.354 1.00 0.00 ATOM 571 CG LYS 76 27.478 11.436 18.613 1.00 0.00 ATOM 572 CD LYS 76 27.438 10.860 20.019 1.00 0.00 ATOM 573 CE LYS 76 28.638 9.963 20.282 1.00 0.00 ATOM 574 NZ LYS 76 28.615 9.397 21.660 1.00 0.00 ATOM 575 O LYS 76 24.016 12.953 16.219 1.00 0.00 ATOM 576 C LYS 76 24.901 13.581 16.804 1.00 0.00 ATOM 577 N ASN 77 24.713 14.775 17.352 1.00 0.00 ATOM 578 CA ASN 77 23.434 15.459 17.291 1.00 0.00 ATOM 579 CB ASN 77 22.535 15.017 18.447 1.00 0.00 ATOM 580 CG ASN 77 22.131 13.559 18.346 1.00 0.00 ATOM 581 ND2 ASN 77 22.747 12.718 19.167 1.00 0.00 ATOM 582 OD1 ASN 77 21.274 13.198 17.539 1.00 0.00 ATOM 583 O ASN 77 24.592 17.449 17.970 1.00 0.00 ATOM 584 C ASN 77 23.621 16.959 17.382 1.00 0.00 ATOM 585 N VAL 78 22.703 17.700 16.778 1.00 0.00 ATOM 586 CA VAL 78 22.783 19.145 16.862 1.00 0.00 ATOM 587 CB VAL 78 23.410 19.749 15.591 1.00 0.00 ATOM 588 CG1 VAL 78 22.559 19.425 14.371 1.00 0.00 ATOM 589 CG2 VAL 78 23.514 21.262 15.716 1.00 0.00 ATOM 590 O VAL 78 20.431 19.263 16.387 1.00 0.00 ATOM 591 C VAL 78 21.385 19.717 17.029 1.00 0.00 ATOM 592 N THR 79 21.267 20.679 17.937 1.00 0.00 ATOM 593 CA THR 79 19.999 21.342 18.231 1.00 0.00 ATOM 594 CB THR 79 19.790 21.516 19.747 1.00 0.00 ATOM 595 CG2 THR 79 18.473 22.222 20.026 1.00 0.00 ATOM 596 OG1 THR 79 19.769 20.230 20.379 1.00 0.00 ATOM 597 O THR 79 20.894 23.535 17.864 1.00 0.00 ATOM 598 C THR 79 20.029 22.707 17.567 1.00 0.00 ATOM 599 N LEU 80 19.089 22.947 16.664 1.00 0.00 ATOM 600 CA LEU 80 19.030 24.218 15.958 1.00 0.00 ATOM 601 CB LEU 80 19.048 23.991 14.445 1.00 0.00 ATOM 602 CG LEU 80 20.279 23.278 13.881 1.00 0.00 ATOM 603 CD1 LEU 80 20.106 23.002 12.395 1.00 0.00 ATOM 604 CD2 LEU 80 21.525 24.128 14.066 1.00 0.00 ATOM 605 O LEU 80 16.659 24.469 16.103 1.00 0.00 ATOM 606 C LEU 80 17.762 24.976 16.310 1.00 0.00 ATOM 607 N LEU 81 17.914 26.169 16.867 1.00 0.00 ATOM 608 CA LEU 81 16.742 26.996 17.170 1.00 0.00 ATOM 609 CB LEU 81 16.979 27.815 18.441 1.00 0.00 ATOM 610 CG LEU 81 15.846 28.752 18.865 1.00 0.00 ATOM 611 CD1 LEU 81 14.602 27.958 19.234 1.00 0.00 ATOM 612 CD2 LEU 81 16.257 29.580 20.073 1.00 0.00 ATOM 613 O LEU 81 17.537 28.615 15.595 1.00 0.00 ATOM 614 C LEU 81 16.609 27.882 15.938 1.00 0.00 ATOM 615 N VAL 82 15.464 27.801 15.260 1.00 0.00 ATOM 616 CA VAL 82 15.258 28.545 14.030 1.00 0.00 ATOM 617 CB VAL 82 15.191 27.608 12.810 1.00 0.00 ATOM 618 CG1 VAL 82 16.505 26.859 12.639 1.00 0.00 ATOM 619 CG2 VAL 82 14.076 26.586 12.981 1.00 0.00 ATOM 620 O VAL 82 13.071 29.110 14.821 1.00 0.00 ATOM 621 C VAL 82 13.976 29.350 14.017 1.00 0.00 ATOM 622 N CYS 83 13.917 30.305 13.100 1.00 0.00 ATOM 623 CA CYS 83 12.704 31.078 12.896 1.00 0.00 ATOM 624 CB CYS 83 12.973 32.568 13.118 1.00 0.00 ATOM 625 SG CYS 83 11.518 33.626 12.941 1.00 0.00 ATOM 626 O CYS 83 13.143 30.974 10.531 1.00 0.00 ATOM 627 C CYS 83 12.340 30.769 11.451 1.00 0.00 ATOM 628 N GLY 84 11.135 30.242 11.267 1.00 0.00 ATOM 629 CA GLY 84 10.665 29.859 9.945 1.00 0.00 ATOM 630 O GLY 84 10.079 32.141 9.540 1.00 0.00 ATOM 631 C GLY 84 10.391 31.050 9.065 1.00 0.00 ATOM 632 N LYS 85 10.532 30.859 7.748 1.00 0.00 ATOM 633 CA LYS 85 10.291 31.936 6.800 1.00 0.00 ATOM 634 CB LYS 85 10.684 31.504 5.387 1.00 0.00 ATOM 635 CG LYS 85 10.456 32.571 4.327 1.00 0.00 ATOM 636 CD LYS 85 11.549 33.627 4.363 1.00 0.00 ATOM 637 CE LYS 85 11.281 34.732 3.354 1.00 0.00 ATOM 638 NZ LYS 85 12.312 35.805 3.419 1.00 0.00 ATOM 639 O LYS 85 7.937 31.493 6.958 1.00 0.00 ATOM 640 C LYS 85 8.825 32.329 6.785 1.00 0.00 ATOM 641 N LYS 86 8.590 33.613 6.597 1.00 0.00 ATOM 642 CA LYS 86 7.235 34.124 6.506 1.00 0.00 ATOM 643 CB LYS 86 6.853 34.861 7.791 1.00 0.00 ATOM 644 CG LYS 86 7.776 36.017 8.142 1.00 0.00 ATOM 645 CD LYS 86 7.323 36.720 9.410 1.00 0.00 ATOM 646 CE LYS 86 8.250 37.871 9.766 1.00 0.00 ATOM 647 NZ LYS 86 7.790 38.600 10.980 1.00 0.00 ATOM 648 O LYS 86 8.326 35.516 4.890 1.00 0.00 ATOM 649 C LYS 86 7.257 35.065 5.317 1.00 0.00 ATOM 650 N ALA 87 6.086 35.346 4.767 1.00 0.00 ATOM 651 CA ALA 87 5.980 36.240 3.621 1.00 0.00 ATOM 652 CB ALA 87 6.672 35.634 2.411 1.00 0.00 ATOM 653 O ALA 87 3.670 35.641 3.629 1.00 0.00 ATOM 654 C ALA 87 4.515 36.465 3.293 1.00 0.00 ATOM 655 N GLN 88 4.198 37.592 2.667 1.00 0.00 ATOM 656 CA GLN 88 2.811 37.820 2.271 1.00 0.00 ATOM 657 CB GLN 88 2.349 39.209 2.714 1.00 0.00 ATOM 658 CG GLN 88 2.351 39.414 4.220 1.00 0.00 ATOM 659 CD GLN 88 1.935 40.815 4.620 1.00 0.00 ATOM 660 OE1 GLN 88 1.694 41.668 3.766 1.00 0.00 ATOM 661 NE2 GLN 88 1.846 41.055 5.923 1.00 0.00 ATOM 662 O GLN 88 1.700 37.989 0.144 1.00 0.00 ATOM 663 C GLN 88 2.731 37.714 0.754 1.00 0.00 ATOM 664 N ASP 89 3.834 37.275 0.159 1.00 0.00 ATOM 665 CA ASP 89 3.926 37.118 -1.283 1.00 0.00 ATOM 666 CB ASP 89 5.352 37.396 -1.763 1.00 0.00 ATOM 667 CG ASP 89 5.491 37.288 -3.268 1.00 0.00 ATOM 668 OD1 ASP 89 4.511 36.885 -3.928 1.00 0.00 ATOM 669 OD2 ASP 89 6.581 37.606 -3.789 1.00 0.00 ATOM 670 O ASP 89 4.286 34.744 -1.426 1.00 0.00 ATOM 671 C ASP 89 3.547 35.691 -1.696 1.00 0.00 ATOM 672 N THR 90 2.390 35.547 -2.337 1.00 0.00 ATOM 673 CA THR 90 1.917 34.244 -2.806 1.00 0.00 ATOM 674 CB THR 90 0.451 33.998 -2.403 1.00 0.00 ATOM 675 CG2 THR 90 -0.020 32.646 -2.916 1.00 0.00 ATOM 676 OG1 THR 90 0.335 34.018 -0.975 1.00 0.00 ATOM 677 O THR 90 1.363 34.963 -5.043 1.00 0.00 ATOM 678 C THR 90 2.021 34.191 -4.343 1.00 0.00 ATOM 679 N VAL 91 2.870 33.305 -4.860 1.00 0.00 ATOM 680 CA VAL 91 3.051 33.142 -6.305 1.00 0.00 ATOM 681 CB VAL 91 4.541 33.168 -6.695 1.00 0.00 ATOM 682 CG1 VAL 91 5.140 34.537 -6.419 1.00 0.00 ATOM 683 CG2 VAL 91 5.317 32.134 -5.895 1.00 0.00 ATOM 684 O VAL 91 2.039 31.693 -7.905 1.00 0.00 ATOM 685 C VAL 91 2.459 31.807 -6.735 1.00 0.00 TER END