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 4 Mon May 5 19:36:28 2008 MODEL 4 PARENT N/A ATOM 2 N MET 2 6.927 34.134 12.425 1.00 0.00 ATOM 3 CA MET 2 6.712 32.961 13.258 1.00 0.00 ATOM 4 CB MET 2 6.860 31.683 12.431 1.00 0.00 ATOM 5 CG MET 2 5.761 31.478 11.403 1.00 0.00 ATOM 6 SD MET 2 6.007 29.996 10.405 1.00 0.00 ATOM 7 CE MET 2 5.535 28.721 11.572 1.00 0.00 ATOM 8 O MET 2 8.863 33.499 14.207 1.00 0.00 ATOM 9 C MET 2 7.753 32.978 14.371 1.00 0.00 ATOM 10 N LYS 3 7.365 32.443 15.518 1.00 0.00 ATOM 11 CA LYS 3 8.255 32.378 16.647 1.00 0.00 ATOM 12 CB LYS 3 7.501 31.922 17.899 1.00 0.00 ATOM 13 CG LYS 3 6.470 32.921 18.400 1.00 0.00 ATOM 14 CD LYS 3 5.784 32.420 19.661 1.00 0.00 ATOM 15 CE LYS 3 4.756 33.419 20.165 1.00 0.00 ATOM 16 NZ LYS 3 4.082 32.947 21.405 1.00 0.00 ATOM 17 O LYS 3 9.199 30.426 15.603 1.00 0.00 ATOM 18 C LYS 3 9.380 31.387 16.366 1.00 0.00 ATOM 19 N PRO 4 10.553 31.622 16.971 1.00 0.00 ATOM 20 CA PRO 4 11.608 30.604 16.920 1.00 0.00 ATOM 21 CB PRO 4 12.766 31.234 17.696 1.00 0.00 ATOM 22 CG PRO 4 12.521 32.703 17.608 1.00 0.00 ATOM 23 CD PRO 4 11.030 32.880 17.660 1.00 0.00 ATOM 24 O PRO 4 10.250 29.354 18.459 1.00 0.00 ATOM 25 C PRO 4 11.117 29.321 17.571 1.00 0.00 ATOM 26 N LYS 5 11.661 28.197 17.124 1.00 0.00 ATOM 27 CA LYS 5 11.378 26.926 17.758 1.00 0.00 ATOM 28 CB LYS 5 10.243 26.205 17.027 1.00 0.00 ATOM 29 CG LYS 5 8.904 26.920 17.100 1.00 0.00 ATOM 30 CD LYS 5 7.821 26.141 16.373 1.00 0.00 ATOM 31 CE LYS 5 6.482 26.856 16.448 1.00 0.00 ATOM 32 NZ LYS 5 5.402 26.082 15.776 1.00 0.00 ATOM 33 O LYS 5 13.564 26.238 16.987 1.00 0.00 ATOM 34 C LYS 5 12.596 26.021 17.743 1.00 0.00 ATOM 35 N LEU 6 12.542 25.004 18.599 1.00 0.00 ATOM 36 CA LEU 6 13.632 24.045 18.755 1.00 0.00 ATOM 37 CB LEU 6 13.680 23.517 20.190 1.00 0.00 ATOM 38 CG LEU 6 13.927 24.554 21.286 1.00 0.00 ATOM 39 CD1 LEU 6 13.856 23.910 22.662 1.00 0.00 ATOM 40 CD2 LEU 6 15.300 25.188 21.129 1.00 0.00 ATOM 41 O LEU 6 12.314 22.334 17.695 1.00 0.00 ATOM 42 C LEU 6 13.441 22.873 17.817 1.00 0.00 ATOM 43 N CYS 7 14.541 22.498 17.154 1.00 0.00 ATOM 44 CA CYS 7 14.595 21.390 16.200 1.00 0.00 ATOM 45 CB CYS 7 14.721 21.918 14.770 1.00 0.00 ATOM 46 SG CYS 7 14.763 20.632 13.500 1.00 0.00 ATOM 47 O CYS 7 16.918 21.077 16.651 1.00 0.00 ATOM 48 C CYS 7 15.807 20.548 16.554 1.00 0.00 ATOM 49 N ARG 8 15.595 19.257 16.800 1.00 0.00 ATOM 50 CA ARG 8 16.705 18.376 17.137 1.00 0.00 ATOM 51 CB ARG 8 16.446 17.676 18.472 1.00 0.00 ATOM 52 CG ARG 8 16.442 18.607 19.673 1.00 0.00 ATOM 53 CD ARG 8 16.192 17.844 20.963 1.00 0.00 ATOM 54 NE ARG 8 16.242 18.717 22.134 1.00 0.00 ATOM 55 CZ ARG 8 15.980 18.319 23.375 1.00 0.00 ATOM 56 NH1 ARG 8 16.050 19.183 24.377 1.00 0.00 ATOM 57 NH2 ARG 8 15.650 17.057 23.610 1.00 0.00 ATOM 58 O ARG 8 15.881 16.655 15.683 1.00 0.00 ATOM 59 C ARG 8 16.856 17.327 16.040 1.00 0.00 ATOM 60 N LEU 9 18.082 17.204 15.521 1.00 0.00 ATOM 61 CA LEU 9 18.404 16.271 14.446 1.00 0.00 ATOM 62 CB LEU 9 18.779 17.029 13.172 1.00 0.00 ATOM 63 CG LEU 9 17.692 17.926 12.571 1.00 0.00 ATOM 64 CD1 LEU 9 18.250 18.749 11.422 1.00 0.00 ATOM 65 CD2 LEU 9 16.539 17.088 12.042 1.00 0.00 ATOM 66 O LEU 9 20.381 15.806 15.715 1.00 0.00 ATOM 67 C LEU 9 19.570 15.405 14.864 1.00 0.00 ATOM 68 N ALA 10 19.650 14.214 14.274 1.00 0.00 ATOM 69 CA ALA 10 20.752 13.292 14.540 1.00 0.00 ATOM 70 CB ALA 10 20.220 11.966 15.058 1.00 0.00 ATOM 71 O ALA 10 20.958 12.504 12.291 1.00 0.00 ATOM 72 C ALA 10 21.498 13.077 13.229 1.00 0.00 ATOM 73 N LYS 11 22.741 13.536 13.174 1.00 0.00 ATOM 74 CA LYS 11 23.557 13.394 11.983 1.00 0.00 ATOM 75 CB LYS 11 24.958 13.958 12.222 1.00 0.00 ATOM 76 CG LYS 11 25.870 13.899 11.007 1.00 0.00 ATOM 77 CD LYS 11 27.238 14.484 11.311 1.00 0.00 ATOM 78 CE LYS 11 28.138 14.455 10.088 1.00 0.00 ATOM 79 NZ LYS 11 29.498 14.978 10.383 1.00 0.00 ATOM 80 O LYS 11 23.761 11.060 12.454 1.00 0.00 ATOM 81 C LYS 11 23.697 11.943 11.587 1.00 0.00 ATOM 82 N GLY 12 23.836 11.723 10.282 1.00 0.00 ATOM 83 CA GLY 12 24.109 10.407 9.737 1.00 0.00 ATOM 84 O GLY 12 26.129 11.281 8.736 1.00 0.00 ATOM 85 C GLY 12 25.187 10.466 8.663 1.00 0.00 ATOM 86 N GLU 13 25.014 9.616 7.652 1.00 0.00 ATOM 87 CA GLU 13 26.067 9.423 6.665 1.00 0.00 ATOM 88 CB GLU 13 25.696 8.294 5.702 1.00 0.00 ATOM 89 CG GLU 13 25.713 6.912 6.332 1.00 0.00 ATOM 90 CD GLU 13 25.271 5.827 5.369 1.00 0.00 ATOM 91 OE1 GLU 13 24.915 6.161 4.218 1.00 0.00 ATOM 92 OE2 GLU 13 25.282 4.642 5.763 1.00 0.00 ATOM 93 O GLU 13 27.402 10.770 5.224 1.00 0.00 ATOM 94 C GLU 13 26.327 10.671 5.817 1.00 0.00 ATOM 95 N ASN 14 25.374 11.615 5.799 1.00 0.00 ATOM 96 CA ASN 14 25.491 12.878 5.071 1.00 0.00 ATOM 97 CB ASN 14 24.454 12.946 3.948 1.00 0.00 ATOM 98 CG ASN 14 24.700 11.916 2.864 1.00 0.00 ATOM 99 ND2 ASN 14 23.886 10.866 2.851 1.00 0.00 ATOM 100 OD1 ASN 14 25.612 12.062 2.051 1.00 0.00 ATOM 101 O ASN 14 24.782 15.141 5.637 1.00 0.00 ATOM 102 C ASN 14 25.258 14.059 6.029 1.00 0.00 ATOM 103 N GLY 15 25.608 13.854 7.296 1.00 0.00 ATOM 104 CA GLY 15 25.479 14.898 8.283 1.00 0.00 ATOM 105 O GLY 15 23.210 14.205 8.646 1.00 0.00 ATOM 106 C GLY 15 24.020 15.140 8.591 1.00 0.00 ATOM 107 N TYR 16 23.704 16.401 8.864 1.00 0.00 ATOM 108 CA TYR 16 22.347 16.830 9.152 1.00 0.00 ATOM 109 CB TYR 16 22.344 18.248 9.728 1.00 0.00 ATOM 110 CG TYR 16 22.965 18.352 11.102 1.00 0.00 ATOM 111 CD1 TYR 16 23.244 17.211 11.845 1.00 0.00 ATOM 112 CD2 TYR 16 23.271 19.590 11.651 1.00 0.00 ATOM 113 CE1 TYR 16 23.811 17.299 13.102 1.00 0.00 ATOM 114 CE2 TYR 16 23.839 19.696 12.906 1.00 0.00 ATOM 115 CZ TYR 16 24.109 18.537 13.631 1.00 0.00 ATOM 116 OH TYR 16 24.675 18.625 14.883 1.00 0.00 ATOM 117 O TYR 16 20.246 16.805 8.010 1.00 0.00 ATOM 118 C TYR 16 21.479 16.835 7.910 1.00 0.00 ATOM 119 N GLY 17 22.105 16.899 6.738 1.00 0.00 ATOM 120 CA GLY 17 21.333 16.888 5.489 1.00 0.00 ATOM 121 O GLY 17 19.652 18.314 4.537 1.00 0.00 ATOM 122 C GLY 17 20.761 18.239 5.087 1.00 0.00 ATOM 123 N PHE 18 21.513 19.317 5.345 1.00 0.00 ATOM 124 CA PHE 18 21.123 20.614 4.828 1.00 0.00 ATOM 125 CB PHE 18 20.194 21.326 5.813 1.00 0.00 ATOM 126 CG PHE 18 20.837 21.642 7.134 1.00 0.00 ATOM 127 CD1 PHE 18 21.444 22.867 7.346 1.00 0.00 ATOM 128 CD2 PHE 18 20.834 20.716 8.161 1.00 0.00 ATOM 129 CE1 PHE 18 22.036 23.159 8.561 1.00 0.00 ATOM 130 CE2 PHE 18 21.428 21.007 9.375 1.00 0.00 ATOM 131 CZ PHE 18 22.026 22.223 9.578 1.00 0.00 ATOM 132 O PHE 18 23.415 21.210 5.070 1.00 0.00 ATOM 133 C PHE 18 22.315 21.507 4.595 1.00 0.00 ATOM 134 N HIS 19 22.085 22.558 3.807 1.00 0.00 ATOM 135 CA HIS 19 23.117 23.557 3.538 1.00 0.00 ATOM 136 CB HIS 19 23.234 23.815 2.034 1.00 0.00 ATOM 137 CG HIS 19 23.824 22.673 1.268 1.00 0.00 ATOM 138 CD2 HIS 19 24.472 21.415 1.614 1.00 0.00 ATOM 139 ND1 HIS 19 23.845 22.632 -0.108 1.00 0.00 ATOM 140 CE1 HIS 19 24.435 21.490 -0.504 1.00 0.00 ATOM 141 NE2 HIS 19 24.813 20.755 0.524 1.00 0.00 ATOM 142 O HIS 19 21.608 25.185 4.392 1.00 0.00 ATOM 143 C HIS 19 22.776 24.853 4.225 1.00 0.00 ATOM 144 N LEU 20 23.803 25.600 4.585 1.00 0.00 ATOM 145 CA LEU 20 23.617 26.967 5.057 1.00 0.00 ATOM 146 CB LEU 20 24.235 27.142 6.445 1.00 0.00 ATOM 147 CG LEU 20 23.678 26.244 7.553 1.00 0.00 ATOM 148 CD1 LEU 20 24.461 26.435 8.844 1.00 0.00 ATOM 149 CD2 LEU 20 22.220 26.573 7.829 1.00 0.00 ATOM 150 O LEU 20 25.328 27.682 3.480 1.00 0.00 ATOM 151 C LEU 20 24.286 27.956 4.098 1.00 0.00 ATOM 152 N ASN 21 23.687 29.130 4.052 1.00 0.00 ATOM 153 CA ASN 21 24.202 30.308 3.383 1.00 0.00 ATOM 154 CB ASN 21 23.391 30.604 2.120 1.00 0.00 ATOM 155 CG ASN 21 21.958 30.994 2.426 1.00 0.00 ATOM 156 ND2 ASN 21 21.169 31.214 1.379 1.00 0.00 ATOM 157 OD1 ASN 21 21.566 31.095 3.589 1.00 0.00 ATOM 158 O ASN 21 23.544 31.341 5.462 1.00 0.00 ATOM 159 C ASN 21 24.090 31.486 4.363 1.00 0.00 ATOM 160 N ALA 22 24.600 32.649 3.961 1.00 0.00 ATOM 161 CA ALA 22 24.584 33.815 4.830 1.00 0.00 ATOM 162 CB ALA 22 23.343 33.807 5.708 1.00 0.00 ATOM 163 O ALA 22 26.821 33.230 5.523 1.00 0.00 ATOM 164 C ALA 22 25.791 33.883 5.759 1.00 0.00 ATOM 165 N ILE 23 25.692 34.714 6.784 1.00 0.00 ATOM 166 CA ILE 23 26.838 34.980 7.647 1.00 0.00 ATOM 167 CB ILE 23 27.492 33.674 8.136 1.00 0.00 ATOM 168 CG1 ILE 23 26.476 32.821 8.897 1.00 0.00 ATOM 169 CG2 ILE 23 28.658 33.977 9.064 1.00 0.00 ATOM 170 CD1 ILE 23 27.018 31.484 9.351 1.00 0.00 ATOM 171 O ILE 23 29.116 35.695 7.304 1.00 0.00 ATOM 172 C ILE 23 27.933 35.778 6.958 1.00 0.00 ATOM 173 N ARG 24 27.517 36.537 5.956 1.00 0.00 ATOM 174 CA ARG 24 28.357 37.435 5.193 1.00 0.00 ATOM 175 CB ARG 24 28.898 36.734 3.947 1.00 0.00 ATOM 176 CG ARG 24 27.826 36.313 2.955 1.00 0.00 ATOM 177 CD ARG 24 28.428 35.586 1.763 1.00 0.00 ATOM 178 NE ARG 24 27.420 35.242 0.765 1.00 0.00 ATOM 179 CZ ARG 24 27.674 34.571 -0.353 1.00 0.00 ATOM 180 NH1 ARG 24 26.693 34.303 -1.204 1.00 0.00 ATOM 181 NH2 ARG 24 28.910 34.169 -0.618 1.00 0.00 ATOM 182 O ARG 24 26.263 38.511 4.756 1.00 0.00 ATOM 183 C ARG 24 27.498 38.619 4.794 1.00 0.00 ATOM 184 N GLY 25 28.146 39.749 4.508 1.00 0.00 ATOM 185 CA GLY 25 27.450 40.976 4.114 1.00 0.00 ATOM 186 O GLY 25 25.319 41.953 4.728 1.00 0.00 ATOM 187 C GLY 25 26.355 41.386 5.103 1.00 0.00 ATOM 188 N LEU 26 26.586 41.092 6.377 1.00 0.00 ATOM 189 CA LEU 26 25.636 41.445 7.440 1.00 0.00 ATOM 190 CB LEU 26 25.129 42.877 7.251 1.00 0.00 ATOM 191 CG LEU 26 26.195 43.970 7.183 1.00 0.00 ATOM 192 CD1 LEU 26 25.557 45.330 6.942 1.00 0.00 ATOM 193 CD2 LEU 26 26.980 44.038 8.485 1.00 0.00 ATOM 194 O LEU 26 23.451 40.957 8.263 1.00 0.00 ATOM 195 C LEU 26 24.391 40.592 7.542 1.00 0.00 ATOM 196 N PRO 27 24.395 39.442 6.863 1.00 0.00 ATOM 197 CA PRO 27 23.207 38.611 6.758 1.00 0.00 ATOM 198 CB PRO 27 23.279 38.041 5.340 1.00 0.00 ATOM 199 CG PRO 27 24.738 37.905 5.065 1.00 0.00 ATOM 200 CD PRO 27 25.410 39.022 5.814 1.00 0.00 ATOM 201 O PRO 27 24.308 37.053 8.233 1.00 0.00 ATOM 202 C PRO 27 23.236 37.506 7.817 1.00 0.00 ATOM 203 N GLY 28 22.048 37.047 8.192 1.00 0.00 ATOM 204 CA GLY 28 21.903 35.890 9.068 1.00 0.00 ATOM 205 O GLY 28 22.718 34.571 7.235 1.00 0.00 ATOM 206 C GLY 28 22.326 34.591 8.412 1.00 0.00 ATOM 207 N SER 29 22.202 33.501 9.167 1.00 0.00 ATOM 208 CA SER 29 22.505 32.157 8.686 1.00 0.00 ATOM 209 CB SER 29 23.161 31.327 9.791 1.00 0.00 ATOM 210 OG SER 29 23.386 29.995 9.364 1.00 0.00 ATOM 211 O SER 29 20.270 31.394 9.072 1.00 0.00 ATOM 212 C SER 29 21.192 31.511 8.264 1.00 0.00 ATOM 213 N PHE 30 21.098 31.129 6.997 1.00 0.00 ATOM 214 CA PHE 30 19.872 30.566 6.447 1.00 0.00 ATOM 215 CB PHE 30 19.364 31.421 5.283 1.00 0.00 ATOM 216 CG PHE 30 18.965 32.813 5.681 1.00 0.00 ATOM 217 CD1 PHE 30 19.870 33.857 5.604 1.00 0.00 ATOM 218 CD2 PHE 30 17.685 33.078 6.135 1.00 0.00 ATOM 219 CE1 PHE 30 19.503 35.137 5.970 1.00 0.00 ATOM 220 CE2 PHE 30 17.318 34.359 6.501 1.00 0.00 ATOM 221 CZ PHE 30 18.220 35.387 6.421 1.00 0.00 ATOM 222 O PHE 30 21.107 28.825 5.382 1.00 0.00 ATOM 223 C PHE 30 20.062 29.159 5.925 1.00 0.00 ATOM 224 N ILE 31 18.985 28.381 6.013 1.00 0.00 ATOM 225 CA ILE 31 18.913 27.082 5.361 1.00 0.00 ATOM 226 CB ILE 31 17.810 26.201 5.977 1.00 0.00 ATOM 227 CG1 ILE 31 18.110 25.924 7.452 1.00 0.00 ATOM 228 CG2 ILE 31 17.719 24.870 5.247 1.00 0.00 ATOM 229 CD1 ILE 31 16.968 25.266 8.195 1.00 0.00 ATOM 230 O ILE 31 17.567 27.879 3.550 1.00 0.00 ATOM 231 C ILE 31 18.607 27.316 3.887 1.00 0.00 ATOM 232 N LYS 32 19.497 26.857 3.011 1.00 0.00 ATOM 233 CA LYS 32 19.359 27.092 1.574 1.00 0.00 ATOM 234 CB LYS 32 20.699 27.516 0.969 1.00 0.00 ATOM 235 CG LYS 32 20.616 27.936 -0.490 1.00 0.00 ATOM 236 CD LYS 32 21.965 28.409 -1.005 1.00 0.00 ATOM 237 CE LYS 32 21.864 28.910 -2.437 1.00 0.00 ATOM 238 NZ LYS 32 23.177 29.387 -2.952 1.00 0.00 ATOM 239 O LYS 32 18.500 25.979 -0.358 1.00 0.00 ATOM 240 C LYS 32 18.890 25.861 0.788 1.00 0.00 ATOM 241 N GLU 33 18.976 24.681 1.405 1.00 0.00 ATOM 242 CA GLU 33 18.817 23.409 0.696 1.00 0.00 ATOM 243 CB GLU 33 20.033 23.136 -0.191 1.00 0.00 ATOM 244 CG GLU 33 19.952 21.833 -0.970 1.00 0.00 ATOM 245 CD GLU 33 21.141 21.630 -1.890 1.00 0.00 ATOM 246 OE1 GLU 33 22.048 22.488 -1.887 1.00 0.00 ATOM 247 OE2 GLU 33 21.166 20.612 -2.613 1.00 0.00 ATOM 248 O GLU 33 19.364 22.313 2.744 1.00 0.00 ATOM 249 C GLU 33 18.681 22.309 1.720 1.00 0.00 ATOM 250 N VAL 34 17.749 21.405 1.447 1.00 0.00 ATOM 251 CA VAL 34 17.534 20.241 2.291 1.00 0.00 ATOM 252 CB VAL 34 16.133 20.259 2.931 1.00 0.00 ATOM 253 CG1 VAL 34 15.919 19.013 3.778 1.00 0.00 ATOM 254 CG2 VAL 34 15.970 21.480 3.822 1.00 0.00 ATOM 255 O VAL 34 17.029 18.860 0.369 1.00 0.00 ATOM 256 C VAL 34 17.673 19.010 1.416 1.00 0.00 ATOM 257 N GLN 35 18.564 18.134 1.845 1.00 0.00 ATOM 258 CA GLN 35 18.936 16.958 1.076 1.00 0.00 ATOM 259 CB GLN 35 20.234 16.354 1.612 1.00 0.00 ATOM 260 CG GLN 35 20.725 15.144 0.835 1.00 0.00 ATOM 261 CD GLN 35 22.054 14.621 1.345 1.00 0.00 ATOM 262 OE1 GLN 35 22.613 15.152 2.305 1.00 0.00 ATOM 263 NE2 GLN 35 22.565 13.579 0.701 1.00 0.00 ATOM 264 O GLN 35 17.461 15.498 2.280 1.00 0.00 ATOM 265 C GLN 35 17.824 15.919 1.179 1.00 0.00 ATOM 266 N LYS 36 17.286 15.501 0.035 1.00 0.00 ATOM 267 CA LYS 36 16.235 14.498 0.012 1.00 0.00 ATOM 268 CB LYS 36 15.869 14.140 -1.429 1.00 0.00 ATOM 269 CG LYS 36 14.719 13.153 -1.550 1.00 0.00 ATOM 270 CD LYS 36 14.351 12.909 -3.004 1.00 0.00 ATOM 271 CE LYS 36 13.213 11.909 -3.125 1.00 0.00 ATOM 272 NZ LYS 36 12.832 11.671 -4.546 1.00 0.00 ATOM 273 O LYS 36 17.784 12.700 0.430 1.00 0.00 ATOM 274 C LYS 36 16.701 13.233 0.727 1.00 0.00 ATOM 275 N GLY 37 15.891 12.780 1.677 1.00 0.00 ATOM 276 CA GLY 37 16.159 11.550 2.421 1.00 0.00 ATOM 277 O GLY 37 17.184 10.798 4.438 1.00 0.00 ATOM 278 C GLY 37 17.036 11.736 3.645 1.00 0.00 ATOM 279 N GLY 38 17.646 12.914 3.789 1.00 0.00 ATOM 280 CA GLY 38 18.519 13.191 4.930 1.00 0.00 ATOM 281 O GLY 38 16.511 13.554 6.228 1.00 0.00 ATOM 282 C GLY 38 17.750 13.450 6.221 1.00 0.00 ATOM 283 N PRO 39 18.473 13.554 7.347 1.00 0.00 ATOM 284 CA PRO 39 17.791 13.760 8.626 1.00 0.00 ATOM 285 CB PRO 39 18.932 13.924 9.633 1.00 0.00 ATOM 286 CG PRO 39 20.064 13.150 9.043 1.00 0.00 ATOM 287 CD PRO 39 19.997 13.379 7.559 1.00 0.00 ATOM 288 O PRO 39 15.742 14.923 9.118 1.00 0.00 ATOM 289 C PRO 39 16.877 15.001 8.645 1.00 0.00 ATOM 290 N ALA 40 17.351 16.130 8.130 1.00 0.00 ATOM 291 CA ALA 40 16.524 17.337 8.107 1.00 0.00 ATOM 292 CB ALA 40 17.276 18.483 7.449 1.00 0.00 ATOM 293 O ALA 40 14.152 17.435 7.780 1.00 0.00 ATOM 294 C ALA 40 15.241 17.081 7.322 1.00 0.00 ATOM 295 N ASP 41 15.371 16.428 6.172 1.00 0.00 ATOM 296 CA ASP 41 14.198 16.125 5.335 1.00 0.00 ATOM 297 CB ASP 41 14.626 15.411 4.052 1.00 0.00 ATOM 298 CG ASP 41 13.462 15.139 3.121 1.00 0.00 ATOM 299 OD1 ASP 41 12.820 16.112 2.673 1.00 0.00 ATOM 300 OD2 ASP 41 13.191 13.952 2.838 1.00 0.00 ATOM 301 O ASP 41 12.017 15.547 6.217 1.00 0.00 ATOM 302 C ASP 41 13.194 15.218 6.064 1.00 0.00 ATOM 303 N LEU 42 13.691 14.085 6.544 1.00 0.00 ATOM 304 CA LEU 42 12.814 13.114 7.198 1.00 0.00 ATOM 305 CB LEU 42 13.614 11.893 7.658 1.00 0.00 ATOM 306 CG LEU 42 14.173 10.995 6.553 1.00 0.00 ATOM 307 CD1 LEU 42 15.079 9.923 7.138 1.00 0.00 ATOM 308 CD2 LEU 42 13.046 10.305 5.799 1.00 0.00 ATOM 309 O LEU 42 10.996 13.322 8.716 1.00 0.00 ATOM 310 C LEU 42 12.117 13.691 8.428 1.00 0.00 ATOM 311 N ALA 43 12.760 14.623 9.137 1.00 0.00 ATOM 312 CA ALA 43 12.144 15.244 10.311 1.00 0.00 ATOM 313 CB ALA 43 13.142 16.149 11.018 1.00 0.00 ATOM 314 O ALA 43 9.957 16.201 10.715 1.00 0.00 ATOM 315 C ALA 43 10.915 16.106 9.949 1.00 0.00 ATOM 316 N GLY 44 10.972 16.744 8.782 1.00 0.00 ATOM 317 CA GLY 44 9.937 17.676 8.349 1.00 0.00 ATOM 318 O GLY 44 8.945 19.717 9.049 1.00 0.00 ATOM 319 C GLY 44 9.901 18.963 9.144 1.00 0.00 ATOM 320 N LEU 45 12.513 21.463 9.339 1.00 0.00 ATOM 321 CA LEU 45 13.298 22.570 8.786 1.00 0.00 ATOM 322 CB LEU 45 14.791 22.244 8.832 1.00 0.00 ATOM 323 CG LEU 45 15.415 22.117 10.224 1.00 0.00 ATOM 324 CD1 LEU 45 16.864 21.665 10.124 1.00 0.00 ATOM 325 CD2 LEU 45 15.383 23.452 10.951 1.00 0.00 ATOM 326 O LEU 45 12.512 21.833 6.659 1.00 0.00 ATOM 327 C LEU 45 12.867 22.783 7.344 1.00 0.00 ATOM 328 N GLU 46 12.943 24.027 6.895 1.00 0.00 ATOM 329 CA GLU 46 12.661 24.384 5.510 1.00 0.00 ATOM 330 CB GLU 46 11.227 24.897 5.370 1.00 0.00 ATOM 331 CG GLU 46 10.163 23.866 5.711 1.00 0.00 ATOM 332 CD GLU 46 8.755 24.413 5.576 1.00 0.00 ATOM 333 OE1 GLU 46 8.613 25.604 5.223 1.00 0.00 ATOM 334 OE2 GLU 46 7.795 23.652 5.820 1.00 0.00 ATOM 335 O GLU 46 14.232 26.182 5.823 1.00 0.00 ATOM 336 C GLU 46 13.602 25.477 5.016 1.00 0.00 ATOM 337 N ASP 47 13.708 25.605 3.694 1.00 0.00 ATOM 338 CA ASP 47 14.494 26.691 3.111 1.00 0.00 ATOM 339 CB ASP 47 14.400 26.659 1.584 1.00 0.00 ATOM 340 CG ASP 47 15.190 25.517 0.975 1.00 0.00 ATOM 341 OD1 ASP 47 15.963 24.871 1.713 1.00 0.00 ATOM 342 OD2 ASP 47 15.035 25.269 -0.239 1.00 0.00 ATOM 343 O ASP 47 12.708 28.180 3.700 1.00 0.00 ATOM 344 C ASP 47 13.935 28.002 3.631 1.00 0.00 ATOM 345 N GLU 48 14.828 28.919 3.997 1.00 0.00 ATOM 346 CA GLU 48 14.392 30.199 4.541 1.00 0.00 ATOM 347 CB GLU 48 13.013 30.571 3.995 1.00 0.00 ATOM 348 CG GLU 48 12.993 30.854 2.501 1.00 0.00 ATOM 349 CD GLU 48 11.601 31.167 1.986 1.00 0.00 ATOM 350 OE1 GLU 48 10.648 31.134 2.793 1.00 0.00 ATOM 351 OE2 GLU 48 11.465 31.446 0.777 1.00 0.00 ATOM 352 O GLU 48 14.027 31.332 6.611 1.00 0.00 ATOM 353 C GLU 48 14.267 30.253 6.044 1.00 0.00 ATOM 354 N ASP 49 14.422 29.110 6.706 1.00 0.00 ATOM 355 CA ASP 49 14.679 29.131 8.142 1.00 0.00 ATOM 356 CB ASP 49 14.726 27.706 8.698 1.00 0.00 ATOM 357 CG ASP 49 13.356 27.062 8.768 1.00 0.00 ATOM 358 OD1 ASP 49 12.352 27.779 8.572 1.00 0.00 ATOM 359 OD2 ASP 49 13.285 25.841 9.022 1.00 0.00 ATOM 360 O ASP 49 17.008 29.531 7.768 1.00 0.00 ATOM 361 C ASP 49 16.008 29.804 8.432 1.00 0.00 ATOM 362 N VAL 50 16.009 30.685 9.424 1.00 0.00 ATOM 363 CA VAL 50 17.239 31.234 9.961 1.00 0.00 ATOM 364 CB VAL 50 17.053 32.690 10.425 1.00 0.00 ATOM 365 CG1 VAL 50 18.334 33.219 11.049 1.00 0.00 ATOM 366 CG2 VAL 50 16.686 33.582 9.249 1.00 0.00 ATOM 367 O VAL 50 16.858 30.053 12.011 1.00 0.00 ATOM 368 C VAL 50 17.675 30.389 11.151 1.00 0.00 ATOM 369 N ILE 51 18.968 30.062 11.195 1.00 0.00 ATOM 370 CA ILE 51 19.547 29.297 12.296 1.00 0.00 ATOM 371 CB ILE 51 20.753 28.462 11.829 1.00 0.00 ATOM 372 CG1 ILE 51 20.351 27.548 10.670 1.00 0.00 ATOM 373 CG2 ILE 51 21.273 27.596 12.966 1.00 0.00 ATOM 374 CD1 ILE 51 19.234 26.587 11.008 1.00 0.00 ATOM 375 O ILE 51 20.938 31.075 13.120 1.00 0.00 ATOM 376 C ILE 51 20.000 30.313 13.357 1.00 0.00 ATOM 377 N ILE 52 19.336 30.306 14.517 1.00 0.00 ATOM 378 CA ILE 52 19.624 31.268 15.590 1.00 0.00 ATOM 379 CB ILE 52 18.350 31.648 16.366 1.00 0.00 ATOM 380 CG1 ILE 52 17.375 32.399 15.457 1.00 0.00 ATOM 381 CG2 ILE 52 18.691 32.539 17.549 1.00 0.00 ATOM 382 CD1 ILE 52 16.007 32.607 16.066 1.00 0.00 ATOM 383 O ILE 52 21.376 31.511 17.162 1.00 0.00 ATOM 384 C ILE 52 20.609 30.738 16.611 1.00 0.00 ATOM 385 N GLU 53 20.594 29.431 16.853 1.00 0.00 ATOM 386 CA GLU 53 21.587 28.832 17.732 1.00 0.00 ATOM 387 CB GLU 53 21.197 29.034 19.197 1.00 0.00 ATOM 388 CG GLU 53 19.908 28.337 19.598 1.00 0.00 ATOM 389 CD GLU 53 19.509 28.628 21.032 1.00 0.00 ATOM 390 OE1 GLU 53 20.240 29.380 21.711 1.00 0.00 ATOM 391 OE2 GLU 53 18.465 28.105 21.477 1.00 0.00 ATOM 392 O GLU 53 20.823 26.695 16.959 1.00 0.00 ATOM 393 C GLU 53 21.720 27.339 17.486 1.00 0.00 ATOM 394 N VAL 54 22.900 26.820 17.834 1.00 0.00 ATOM 395 CA VAL 54 23.266 25.412 17.627 1.00 0.00 ATOM 396 CB VAL 54 24.242 25.249 16.447 1.00 0.00 ATOM 397 CG1 VAL 54 24.608 23.785 16.256 1.00 0.00 ATOM 398 CG2 VAL 54 23.610 25.757 15.160 1.00 0.00 ATOM 399 O VAL 54 24.972 25.449 19.296 1.00 0.00 ATOM 400 C VAL 54 23.929 24.932 18.913 1.00 0.00 ATOM 401 N ASN 55 23.300 23.971 19.590 1.00 0.00 ATOM 402 CA ASN 55 23.809 23.435 20.844 1.00 0.00 ATOM 403 CB ASN 55 25.012 22.524 20.587 1.00 0.00 ATOM 404 CG ASN 55 25.345 21.650 21.779 1.00 0.00 ATOM 405 ND2 ASN 55 26.613 21.269 21.897 1.00 0.00 ATOM 406 OD1 ASN 55 24.473 21.321 22.584 1.00 0.00 ATOM 407 O ASN 55 25.338 24.520 22.383 1.00 0.00 ATOM 408 C ASN 55 24.259 24.556 21.787 1.00 0.00 ATOM 409 N GLY 56 23.403 25.567 21.909 1.00 0.00 ATOM 410 CA GLY 56 23.626 26.670 22.832 1.00 0.00 ATOM 411 O GLY 56 24.884 28.682 23.097 1.00 0.00 ATOM 412 C GLY 56 24.623 27.713 22.371 1.00 0.00 ATOM 413 N VAL 57 25.175 27.539 21.171 1.00 0.00 ATOM 414 CA VAL 57 26.046 28.545 20.571 1.00 0.00 ATOM 415 CB VAL 57 27.058 27.908 19.599 1.00 0.00 ATOM 416 CG1 VAL 57 27.916 28.979 18.946 1.00 0.00 ATOM 417 CG2 VAL 57 27.971 26.944 20.339 1.00 0.00 ATOM 418 O VAL 57 24.485 29.157 18.855 1.00 0.00 ATOM 419 C VAL 57 25.160 29.525 19.809 1.00 0.00 ATOM 420 N ASN 58 25.152 30.776 20.257 1.00 0.00 ATOM 421 CA ASN 58 24.360 31.836 19.623 1.00 0.00 ATOM 422 CB ASN 58 24.371 33.101 20.484 1.00 0.00 ATOM 423 CG ASN 58 23.432 34.170 19.960 1.00 0.00 ATOM 424 ND2 ASN 58 22.995 35.058 20.846 1.00 0.00 ATOM 425 OD1 ASN 58 23.104 34.195 18.773 1.00 0.00 ATOM 426 O ASN 58 26.076 32.636 18.150 1.00 0.00 ATOM 427 C ASN 58 24.922 32.190 18.251 1.00 0.00 ATOM 428 N VAL 59 24.111 31.983 17.204 1.00 0.00 ATOM 429 CA VAL 59 24.532 32.294 15.819 1.00 0.00 ATOM 430 CB VAL 59 24.218 31.131 14.860 1.00 0.00 ATOM 431 CG1 VAL 59 25.002 29.889 15.253 1.00 0.00 ATOM 432 CG2 VAL 59 22.734 30.795 14.899 1.00 0.00 ATOM 433 O VAL 59 23.941 33.844 14.088 1.00 0.00 ATOM 434 C VAL 59 23.829 33.533 15.264 1.00 0.00 ATOM 435 N LEU 60 23.124 34.246 16.136 1.00 0.00 ATOM 436 CA LEU 60 22.635 35.560 15.809 1.00 0.00 ATOM 437 CB LEU 60 21.740 36.092 16.930 1.00 0.00 ATOM 438 CG LEU 60 21.091 37.457 16.690 1.00 0.00 ATOM 439 CD1 LEU 60 20.107 37.389 15.531 1.00 0.00 ATOM 440 CD2 LEU 60 20.338 37.920 17.927 1.00 0.00 ATOM 441 O LEU 60 24.761 36.547 16.542 1.00 0.00 ATOM 442 C LEU 60 23.896 36.438 15.642 1.00 0.00 ATOM 443 N ASP 61 24.010 37.033 14.475 1.00 0.00 ATOM 444 CA ASP 61 25.178 37.799 14.118 1.00 0.00 ATOM 445 CB ASP 61 25.579 38.728 15.266 1.00 0.00 ATOM 446 CG ASP 61 24.484 39.713 15.627 1.00 0.00 ATOM 447 OD1 ASP 61 23.904 40.321 14.703 1.00 0.00 ATOM 448 OD2 ASP 61 24.206 39.877 16.833 1.00 0.00 ATOM 449 O ASP 61 27.471 37.615 13.613 1.00 0.00 ATOM 450 C ASP 61 26.434 37.008 13.789 1.00 0.00 ATOM 451 N GLU 62 26.363 35.673 13.729 1.00 0.00 ATOM 452 CA GLU 62 27.559 34.859 13.471 1.00 0.00 ATOM 453 CB GLU 62 27.280 33.385 13.772 1.00 0.00 ATOM 454 CG GLU 62 27.039 33.087 15.243 1.00 0.00 ATOM 455 CD GLU 62 28.254 33.380 16.102 1.00 0.00 ATOM 456 OE1 GLU 62 29.327 32.800 15.834 1.00 0.00 ATOM 457 OE2 GLU 62 28.132 34.192 17.044 1.00 0.00 ATOM 458 O GLU 62 27.199 35.155 11.102 1.00 0.00 ATOM 459 C GLU 62 28.011 34.959 12.015 1.00 0.00 ATOM 460 N PRO 63 29.311 34.793 11.805 1.00 0.00 ATOM 461 CA PRO 63 29.854 34.680 10.466 1.00 0.00 ATOM 462 CB PRO 63 31.357 34.902 10.655 1.00 0.00 ATOM 463 CG PRO 63 31.478 35.485 12.023 1.00 0.00 ATOM 464 CD PRO 63 30.323 34.938 12.813 1.00 0.00 ATOM 465 O PRO 63 29.261 32.331 10.642 1.00 0.00 ATOM 466 C PRO 63 29.543 33.284 9.900 1.00 0.00 ATOM 467 N TYR 64 29.649 33.165 8.582 1.00 0.00 ATOM 468 CA TYR 64 29.498 31.877 7.932 1.00 0.00 ATOM 469 CB TYR 64 29.852 31.981 6.447 1.00 0.00 ATOM 470 CG TYR 64 29.786 30.665 5.707 1.00 0.00 ATOM 471 CD1 TYR 64 28.568 30.144 5.289 1.00 0.00 ATOM 472 CD2 TYR 64 30.942 29.946 5.428 1.00 0.00 ATOM 473 CE1 TYR 64 28.497 28.942 4.613 1.00 0.00 ATOM 474 CE2 TYR 64 30.890 28.742 4.753 1.00 0.00 ATOM 475 CZ TYR 64 29.654 28.242 4.345 1.00 0.00 ATOM 476 OH TYR 64 29.587 27.045 3.671 1.00 0.00 ATOM 477 O TYR 64 30.022 29.701 8.858 1.00 0.00 ATOM 478 C TYR 64 30.430 30.853 8.592 1.00 0.00 ATOM 479 N GLU 65 31.675 31.266 8.860 1.00 0.00 ATOM 480 CA GLU 65 32.666 30.364 9.442 1.00 0.00 ATOM 481 CB GLU 65 34.024 31.062 9.560 1.00 0.00 ATOM 482 CG GLU 65 34.713 31.307 8.226 1.00 0.00 ATOM 483 CD GLU 65 35.992 32.107 8.370 1.00 0.00 ATOM 484 OE1 GLU 65 36.301 32.533 9.503 1.00 0.00 ATOM 485 OE2 GLU 65 36.685 32.307 7.352 1.00 0.00 ATOM 486 O GLU 65 32.394 28.706 11.157 1.00 0.00 ATOM 487 C GLU 65 32.274 29.895 10.831 1.00 0.00 ATOM 488 N LYS 66 31.766 30.813 11.635 1.00 0.00 ATOM 489 CA LYS 66 31.343 30.469 12.991 1.00 0.00 ATOM 490 CB LYS 66 30.913 31.723 13.753 1.00 0.00 ATOM 491 CG LYS 66 32.055 32.667 14.089 1.00 0.00 ATOM 492 CD LYS 66 32.999 32.052 15.109 1.00 0.00 ATOM 493 CE LYS 66 34.138 32.999 15.451 1.00 0.00 ATOM 494 NZ LYS 66 35.066 32.411 16.454 1.00 0.00 ATOM 495 O LYS 66 30.096 28.562 13.754 1.00 0.00 ATOM 496 C LYS 66 30.157 29.493 12.958 1.00 0.00 ATOM 497 N VAL 67 29.227 29.703 12.026 1.00 0.00 ATOM 498 CA VAL 67 28.058 28.839 11.924 1.00 0.00 ATOM 499 CB VAL 67 27.020 29.407 10.939 1.00 0.00 ATOM 500 CG1 VAL 67 25.901 28.401 10.707 1.00 0.00 ATOM 501 CG2 VAL 67 26.411 30.687 11.486 1.00 0.00 ATOM 502 O VAL 67 28.017 26.432 11.946 1.00 0.00 ATOM 503 C VAL 67 28.488 27.449 11.429 1.00 0.00 ATOM 504 N VAL 68 29.342 27.414 10.400 1.00 0.00 ATOM 505 CA VAL 68 29.840 26.141 9.864 1.00 0.00 ATOM 506 CB VAL 68 30.797 26.364 8.678 1.00 0.00 ATOM 507 CG1 VAL 68 31.453 25.055 8.268 1.00 0.00 ATOM 508 CG2 VAL 68 30.041 26.919 7.481 1.00 0.00 ATOM 509 O VAL 68 30.419 24.164 11.088 1.00 0.00 ATOM 510 C VAL 68 30.595 25.381 10.949 1.00 0.00 ATOM 511 N ASP 69 31.415 26.091 11.732 1.00 0.00 ATOM 512 CA ASP 69 32.177 25.440 12.805 1.00 0.00 ATOM 513 CB ASP 69 33.118 26.441 13.478 1.00 0.00 ATOM 514 CG ASP 69 34.302 26.806 12.604 1.00 0.00 ATOM 515 OD1 ASP 69 34.524 26.115 11.587 1.00 0.00 ATOM 516 OD2 ASP 69 35.007 27.781 12.936 1.00 0.00 ATOM 517 O ASP 69 31.513 23.769 14.408 1.00 0.00 ATOM 518 C ASP 69 31.253 24.861 13.892 1.00 0.00 ATOM 519 N ARG 70 30.202 25.594 14.255 1.00 0.00 ATOM 520 CA ARG 70 29.236 25.126 15.265 1.00 0.00 ATOM 521 CB ARG 70 28.196 26.211 15.552 1.00 0.00 ATOM 522 CG ARG 70 28.754 27.436 16.255 1.00 0.00 ATOM 523 CD ARG 70 27.648 28.403 16.644 1.00 0.00 ATOM 524 NE ARG 70 28.173 29.616 17.265 1.00 0.00 ATOM 525 CZ ARG 70 28.487 30.723 16.599 1.00 0.00 ATOM 526 NH1 ARG 70 28.959 31.776 17.249 1.00 0.00 ATOM 527 NH2 ARG 70 28.329 30.771 15.283 1.00 0.00 ATOM 528 O ARG 70 28.410 22.854 15.465 1.00 0.00 ATOM 529 C ARG 70 28.504 23.868 14.764 1.00 0.00 ATOM 530 N ILE 71 28.016 23.933 13.535 1.00 0.00 ATOM 531 CA ILE 71 27.239 22.830 12.960 1.00 0.00 ATOM 532 CB ILE 71 26.596 23.230 11.618 1.00 0.00 ATOM 533 CG1 ILE 71 25.601 24.375 11.823 1.00 0.00 ATOM 534 CG2 ILE 71 25.857 22.051 11.009 1.00 0.00 ATOM 535 CD1 ILE 71 24.451 24.025 12.742 1.00 0.00 ATOM 536 O ILE 71 27.684 20.470 12.988 1.00 0.00 ATOM 537 C ILE 71 28.100 21.592 12.692 1.00 0.00 ATOM 538 N GLN 72 29.275 21.782 12.099 1.00 0.00 ATOM 539 CA GLN 72 30.133 20.652 11.708 1.00 0.00 ATOM 540 CB GLN 72 31.146 21.090 10.648 1.00 0.00 ATOM 541 CG GLN 72 30.520 21.530 9.335 1.00 0.00 ATOM 542 CD GLN 72 29.642 20.459 8.719 1.00 0.00 ATOM 543 OE1 GLN 72 30.054 19.306 8.585 1.00 0.00 ATOM 544 NE2 GLN 72 28.426 20.835 8.343 1.00 0.00 ATOM 545 O GLN 72 31.156 18.892 12.945 1.00 0.00 ATOM 546 C GLN 72 30.910 20.095 12.880 1.00 0.00 ATOM 547 N SER 73 31.293 20.968 13.805 1.00 0.00 ATOM 548 CA SER 73 31.992 20.563 15.003 1.00 0.00 ATOM 549 CB SER 73 32.551 21.783 15.738 1.00 0.00 ATOM 550 OG SER 73 33.527 22.446 14.954 1.00 0.00 ATOM 551 O SER 73 31.675 19.053 16.842 1.00 0.00 ATOM 552 C SER 73 31.142 19.815 16.013 1.00 0.00 ATOM 553 N SER 74 29.830 20.021 15.949 1.00 0.00 ATOM 554 CA SER 74 28.891 19.347 16.833 1.00 0.00 ATOM 555 CB SER 74 27.459 19.801 16.542 1.00 0.00 ATOM 556 OG SER 74 26.526 19.086 17.331 1.00 0.00 ATOM 557 O SER 74 29.276 17.363 15.520 1.00 0.00 ATOM 558 C SER 74 28.981 17.836 16.627 1.00 0.00 ATOM 559 N GLY 75 28.741 17.078 17.691 1.00 0.00 ATOM 560 CA GLY 75 28.524 15.640 17.566 1.00 0.00 ATOM 561 O GLY 75 26.522 16.289 16.430 1.00 0.00 ATOM 562 C GLY 75 27.173 15.374 16.921 1.00 0.00 ATOM 563 N LYS 76 26.722 14.127 16.924 1.00 0.00 ATOM 564 CA LYS 76 25.630 13.789 16.025 1.00 0.00 ATOM 565 CB LYS 76 25.407 12.275 15.999 1.00 0.00 ATOM 566 CG LYS 76 26.515 11.497 15.308 1.00 0.00 ATOM 567 CD LYS 76 26.229 10.004 15.314 1.00 0.00 ATOM 568 CE LYS 76 27.353 9.223 14.655 1.00 0.00 ATOM 569 NZ LYS 76 27.096 7.757 14.675 1.00 0.00 ATOM 570 O LYS 76 23.535 14.788 15.525 1.00 0.00 ATOM 571 C LYS 76 24.306 14.424 16.417 1.00 0.00 ATOM 572 N ASN 77 24.021 14.536 17.717 1.00 0.00 ATOM 573 CA ASN 77 22.752 15.136 18.151 1.00 0.00 ATOM 574 CB ASN 77 22.369 14.630 19.544 1.00 0.00 ATOM 575 CG ASN 77 21.005 15.119 19.988 1.00 0.00 ATOM 576 ND2 ASN 77 20.376 14.376 20.889 1.00 0.00 ATOM 577 OD1 ASN 77 20.524 16.152 19.522 1.00 0.00 ATOM 578 O ASN 77 23.729 17.158 18.966 1.00 0.00 ATOM 579 C ASN 77 22.928 16.645 18.189 1.00 0.00 ATOM 580 N VAL 78 22.204 17.346 17.317 1.00 0.00 ATOM 581 CA VAL 78 22.313 18.787 17.203 1.00 0.00 ATOM 582 CB VAL 78 22.721 19.212 15.780 1.00 0.00 ATOM 583 CG1 VAL 78 22.791 20.728 15.676 1.00 0.00 ATOM 584 CG2 VAL 78 24.084 18.642 15.424 1.00 0.00 ATOM 585 O VAL 78 19.961 19.179 16.864 1.00 0.00 ATOM 586 C VAL 78 20.972 19.443 17.529 1.00 0.00 ATOM 587 N THR 79 20.998 20.303 18.544 1.00 0.00 ATOM 588 CA THR 79 19.830 21.027 19.015 1.00 0.00 ATOM 589 CB THR 79 19.797 21.108 20.552 1.00 0.00 ATOM 590 CG2 THR 79 18.572 21.880 21.018 1.00 0.00 ATOM 591 OG1 THR 79 19.751 19.787 21.102 1.00 0.00 ATOM 592 O THR 79 20.737 23.235 18.810 1.00 0.00 ATOM 593 C THR 79 19.875 22.440 18.443 1.00 0.00 ATOM 594 N LEU 80 18.945 22.723 17.530 1.00 0.00 ATOM 595 CA LEU 80 18.914 23.967 16.760 1.00 0.00 ATOM 596 CB LEU 80 18.785 23.667 15.264 1.00 0.00 ATOM 597 CG LEU 80 19.903 22.829 14.642 1.00 0.00 ATOM 598 CD1 LEU 80 19.605 22.535 13.180 1.00 0.00 ATOM 599 CD2 LEU 80 21.233 23.566 14.716 1.00 0.00 ATOM 600 O LEU 80 16.642 24.256 17.416 1.00 0.00 ATOM 601 C LEU 80 17.721 24.798 17.210 1.00 0.00 ATOM 602 N LEU 81 17.923 26.098 17.374 1.00 0.00 ATOM 603 CA LEU 81 16.815 27.055 17.461 1.00 0.00 ATOM 604 CB LEU 81 17.070 28.071 18.577 1.00 0.00 ATOM 605 CG LEU 81 16.016 29.166 18.751 1.00 0.00 ATOM 606 CD1 LEU 81 14.686 28.568 19.184 1.00 0.00 ATOM 607 CD2 LEU 81 16.453 30.170 19.807 1.00 0.00 ATOM 608 O LEU 81 17.776 28.312 15.661 1.00 0.00 ATOM 609 C LEU 81 16.778 27.727 16.098 1.00 0.00 ATOM 610 N VAL 82 15.657 27.523 15.406 1.00 0.00 ATOM 611 CA VAL 82 15.424 28.049 14.065 1.00 0.00 ATOM 612 CB VAL 82 15.179 26.917 13.049 1.00 0.00 ATOM 613 CG1 VAL 82 16.407 26.026 12.937 1.00 0.00 ATOM 614 CG2 VAL 82 14.000 26.059 13.484 1.00 0.00 ATOM 615 O VAL 82 13.293 28.830 14.857 1.00 0.00 ATOM 616 C VAL 82 14.205 28.964 14.041 1.00 0.00 ATOM 617 N CYS 83 14.217 29.933 13.138 1.00 0.00 ATOM 618 CA CYS 83 13.079 30.847 12.969 1.00 0.00 ATOM 619 CB CYS 83 13.347 32.173 13.684 1.00 0.00 ATOM 620 SG CYS 83 11.996 33.369 13.570 1.00 0.00 ATOM 621 O CYS 83 13.777 31.539 10.791 1.00 0.00 ATOM 622 C CYS 83 12.858 31.119 11.503 1.00 0.00 ATOM 623 N GLY 84 11.647 30.841 11.042 1.00 0.00 ATOM 624 CA GLY 84 11.300 31.022 9.641 1.00 0.00 ATOM 625 O GLY 84 10.679 33.334 9.952 1.00 0.00 ATOM 626 C GLY 84 11.348 32.522 9.303 1.00 0.00 ATOM 627 N LYS 85 12.162 32.879 8.302 1.00 0.00 ATOM 628 CA LYS 85 12.378 34.277 7.915 1.00 0.00 ATOM 629 CB LYS 85 13.762 34.749 8.363 1.00 0.00 ATOM 630 CG LYS 85 14.041 36.215 8.076 1.00 0.00 ATOM 631 CD LYS 85 13.432 37.112 9.142 1.00 0.00 ATOM 632 CE LYS 85 13.795 38.570 8.909 1.00 0.00 ATOM 633 NZ LYS 85 13.186 39.464 9.933 1.00 0.00 ATOM 634 O LYS 85 13.267 34.690 5.687 1.00 0.00 ATOM 635 C LYS 85 12.276 34.412 6.387 1.00 0.00 TER END