PFRMAT TS TARGET T0495 AUTHOR SAM-T06-server METHOD The SAM-T06 server uses methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 8 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7 and METHOD AA, str2, near-backbone-11) for finding and aligning more remote METHOD homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. Helix and strand constraints METHOD generated from the secondary-structure predictions are passed to METHOD undertaker to use in the cost function. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. REMARK 6 REMARK 6 T0495 model 4 Thu Jul 10 14:00:04 2008 MODEL 4 PARENT N/A ATOM 2 N ARG 12 12.368 8.846 -3.342 1.00 0.00 ATOM 3 CA ARG 12 13.314 7.718 -3.396 1.00 0.00 ATOM 4 CB ARG 12 14.516 7.983 -2.488 1.00 0.00 ATOM 5 CG ARG 12 15.449 9.070 -2.997 1.00 0.00 ATOM 6 CD ARG 12 16.594 9.313 -2.025 1.00 0.00 ATOM 7 NE ARG 12 17.473 10.390 -2.475 1.00 0.00 ATOM 8 CZ ARG 12 18.517 10.840 -1.785 1.00 0.00 ATOM 9 NH1 ARG 12 19.260 11.823 -2.274 1.00 0.00 ATOM 10 NH2 ARG 12 18.813 10.304 -0.608 1.00 0.00 ATOM 11 O ARG 12 12.777 5.388 -3.607 1.00 0.00 ATOM 12 C ARG 12 12.669 6.413 -2.942 1.00 0.00 ATOM 13 N LEU 13 11.979 6.447 -1.803 1.00 0.00 ATOM 14 CA LEU 13 11.424 5.200 -1.224 1.00 0.00 ATOM 15 CB LEU 13 10.675 5.499 0.076 1.00 0.00 ATOM 16 CG LEU 13 11.531 5.926 1.269 1.00 0.00 ATOM 17 CD1 LEU 13 10.652 6.365 2.431 1.00 0.00 ATOM 18 CD2 LEU 13 12.406 4.776 1.742 1.00 0.00 ATOM 19 O LEU 13 10.524 3.288 -2.263 1.00 0.00 ATOM 20 C LEU 13 10.463 4.506 -2.133 1.00 0.00 ATOM 21 N ALA 14 9.569 5.281 -2.738 1.00 0.00 ATOM 22 CA ALA 14 8.553 4.761 -3.648 1.00 0.00 ATOM 23 CB ALA 14 7.617 5.875 -4.090 1.00 0.00 ATOM 24 O ALA 14 8.824 3.107 -5.341 1.00 0.00 ATOM 25 C ALA 14 9.214 4.165 -4.875 1.00 0.00 ATOM 26 N ARG 15 10.219 4.871 -5.412 1.00 0.00 ATOM 27 CA ARG 15 10.991 4.326 -6.529 1.00 0.00 ATOM 28 CB ARG 15 12.025 5.344 -7.013 1.00 0.00 ATOM 29 CG ARG 15 11.427 6.539 -7.738 1.00 0.00 ATOM 30 CD ARG 15 12.502 7.543 -8.125 1.00 0.00 ATOM 31 NE ARG 15 11.940 8.712 -8.798 1.00 0.00 ATOM 32 CZ ARG 15 12.651 9.769 -9.176 1.00 0.00 ATOM 33 NH1 ARG 15 12.054 10.787 -9.783 1.00 0.00 ATOM 34 NH2 ARG 15 13.956 9.807 -8.946 1.00 0.00 ATOM 35 O ARG 15 11.787 2.117 -6.966 1.00 0.00 ATOM 36 C ARG 15 11.758 3.045 -6.166 1.00 0.00 ATOM 37 N GLY 16 12.347 2.986 -4.978 1.00 0.00 ATOM 38 CA GLY 16 13.068 1.773 -4.548 1.00 0.00 ATOM 39 O GLY 16 12.339 -0.506 -4.937 1.00 0.00 ATOM 40 C GLY 16 12.090 0.603 -4.429 1.00 0.00 ATOM 41 N VAL 17 10.969 0.851 -3.751 1.00 0.00 ATOM 42 CA VAL 17 9.948 -0.183 -3.628 1.00 0.00 ATOM 43 CB VAL 17 8.741 0.309 -2.808 1.00 0.00 ATOM 44 CG1 VAL 17 7.611 -0.708 -2.861 1.00 0.00 ATOM 45 CG2 VAL 17 9.136 0.516 -1.353 1.00 0.00 ATOM 46 O VAL 17 9.276 -1.824 -5.215 1.00 0.00 ATOM 47 C VAL 17 9.401 -0.641 -4.991 1.00 0.00 ATOM 48 N ALA 18 9.126 0.283 -5.920 1.00 0.00 ATOM 49 CA ALA 18 8.611 -0.112 -7.226 1.00 0.00 ATOM 50 CB ALA 18 8.360 1.114 -8.090 1.00 0.00 ATOM 51 O ALA 18 9.283 -2.033 -8.512 1.00 0.00 ATOM 52 C ALA 18 9.631 -1.016 -7.924 1.00 0.00 ATOM 53 N ARG 19 10.893 -0.625 -7.836 1.00 0.00 ATOM 54 CA ARG 19 11.955 -1.403 -8.486 1.00 0.00 ATOM 55 CB ARG 19 13.314 -0.728 -8.284 1.00 0.00 ATOM 56 CG ARG 19 13.489 0.561 -9.069 1.00 0.00 ATOM 57 CD ARG 19 14.828 1.214 -8.766 1.00 0.00 ATOM 58 NE ARG 19 15.002 2.469 -9.492 1.00 0.00 ATOM 59 CZ ARG 19 16.048 3.276 -9.352 1.00 0.00 ATOM 60 NH1 ARG 19 16.122 4.397 -10.053 1.00 0.00 ATOM 61 NH2 ARG 19 17.022 2.958 -8.509 1.00 0.00 ATOM 62 O ARG 19 12.145 -3.819 -8.674 1.00 0.00 ATOM 63 C ARG 19 12.058 -2.836 -7.920 1.00 0.00 ATOM 64 N HIS 20 11.991 -2.971 -6.596 1.00 0.00 ATOM 65 CA HIS 20 11.985 -4.291 -5.968 1.00 0.00 ATOM 66 CB HIS 20 11.906 -4.161 -4.446 1.00 0.00 ATOM 67 CG HIS 20 11.898 -5.473 -3.726 1.00 0.00 ATOM 68 CD2 HIS 20 10.905 -6.254 -3.001 1.00 0.00 ATOM 69 ND1 HIS 20 13.014 -6.274 -3.624 1.00 0.00 ATOM 70 CE1 HIS 20 12.698 -7.379 -2.927 1.00 0.00 ATOM 71 NE2 HIS 20 11.435 -7.373 -2.549 1.00 0.00 ATOM 72 O HIS 20 10.913 -6.319 -6.674 1.00 0.00 ATOM 73 C HIS 20 10.789 -5.121 -6.434 1.00 0.00 ATOM 74 N LEU 21 9.622 -4.492 -6.596 1.00 0.00 ATOM 75 CA LEU 21 8.478 -5.262 -7.066 1.00 0.00 ATOM 76 CB LEU 21 7.184 -4.465 -6.883 1.00 0.00 ATOM 77 CG LEU 21 6.726 -4.239 -5.441 1.00 0.00 ATOM 78 CD1 LEU 21 5.538 -3.288 -5.397 1.00 0.00 ATOM 79 CD2 LEU 21 6.308 -5.552 -4.798 1.00 0.00 ATOM 80 O LEU 21 8.203 -6.714 -8.975 1.00 0.00 ATOM 81 C LEU 21 8.594 -5.620 -8.555 1.00 0.00 ATOM 82 N ARG 22 9.148 -4.709 -9.342 1.00 0.00 ATOM 83 CA ARG 22 9.384 -4.982 -10.757 1.00 0.00 ATOM 84 CB ARG 22 10.068 -3.788 -11.427 1.00 0.00 ATOM 85 CG ARG 22 9.179 -2.564 -11.571 1.00 0.00 ATOM 86 CD ARG 22 9.955 -1.380 -12.125 1.00 0.00 ATOM 87 NE ARG 22 10.432 -1.625 -13.483 1.00 0.00 ATOM 88 CZ ARG 22 11.302 -0.850 -14.121 1.00 0.00 ATOM 89 NH1 ARG 22 11.676 -1.152 -15.357 1.00 0.00 ATOM 90 NH2 ARG 22 11.797 0.223 -13.522 1.00 0.00 ATOM 91 O ARG 22 10.115 -7.009 -11.874 1.00 0.00 ATOM 92 C ARG 22 10.292 -6.223 -10.937 1.00 0.00 ATOM 93 N ALA 23 11.221 -6.400 -10.010 1.00 0.00 ATOM 94 CA ALA 23 12.118 -7.564 -10.012 1.00 0.00 ATOM 95 CB ALA 23 13.194 -7.406 -8.949 1.00 0.00 ATOM 96 O ALA 23 11.861 -9.954 -10.010 1.00 0.00 ATOM 97 C ALA 23 11.362 -8.852 -9.724 1.00 0.00 ATOM 98 N HIS 24 10.147 -8.717 -9.180 1.00 0.00 ATOM 99 CA HIS 24 9.339 -9.879 -8.832 1.00 0.00 ATOM 100 CB HIS 24 8.882 -9.796 -7.375 1.00 0.00 ATOM 101 CG HIS 24 10.009 -9.796 -6.387 1.00 0.00 ATOM 102 CD2 HIS 24 10.656 -8.794 -5.553 1.00 0.00 ATOM 103 ND1 HIS 24 10.719 -10.933 -6.068 1.00 0.00 ATOM 104 CE1 HIS 24 11.660 -10.619 -5.159 1.00 0.00 ATOM 105 NE2 HIS 24 11.629 -9.338 -4.846 1.00 0.00 ATOM 106 O HIS 24 7.108 -10.649 -9.312 1.00 0.00 ATOM 107 C HIS 24 8.091 -9.995 -9.699 1.00 0.00 ATOM 108 N GLY 25 8.150 -9.354 -10.861 1.00 0.00 ATOM 109 CA GLY 25 7.147 -9.505 -11.900 1.00 0.00 ATOM 110 O GLY 25 5.018 -8.733 -12.628 1.00 0.00 ATOM 111 C GLY 25 5.966 -8.543 -11.873 1.00 0.00 ATOM 112 N PHE 26 6.007 -7.528 -11.004 1.00 0.00 ATOM 113 CA PHE 26 4.974 -6.487 -10.973 1.00 0.00 ATOM 114 CB PHE 26 4.928 -5.817 -9.598 1.00 0.00 ATOM 115 CG PHE 26 4.539 -6.747 -8.484 1.00 0.00 ATOM 116 CD1 PHE 26 5.500 -7.280 -7.641 1.00 0.00 ATOM 117 CD2 PHE 26 3.214 -7.088 -8.277 1.00 0.00 ATOM 118 CE1 PHE 26 5.143 -8.135 -6.616 1.00 0.00 ATOM 119 CE2 PHE 26 2.858 -7.942 -7.252 1.00 0.00 ATOM 120 CZ PHE 26 3.815 -8.466 -6.423 1.00 0.00 ATOM 121 O PHE 26 6.300 -4.966 -12.247 1.00 0.00 ATOM 122 C PHE 26 5.167 -5.376 -11.978 1.00 0.00 ATOM 123 N VAL 27 4.540 -1.442 -12.298 1.00 0.00 ATOM 124 CA VAL 27 4.445 -0.409 -11.250 1.00 0.00 ATOM 125 CB VAL 27 5.703 -0.386 -10.362 1.00 0.00 ATOM 126 CG1 VAL 27 5.889 -1.727 -9.667 1.00 0.00 ATOM 127 CG2 VAL 27 6.940 -0.104 -11.200 1.00 0.00 ATOM 128 O VAL 27 4.720 1.292 -12.923 1.00 0.00 ATOM 129 C VAL 27 4.285 1.010 -11.811 1.00 0.00 ATOM 130 N SER 28 3.652 1.895 -11.030 1.00 0.00 ATOM 131 CA SER 28 3.653 3.333 -11.284 1.00 0.00 ATOM 132 CB SER 28 2.311 3.773 -11.870 1.00 0.00 ATOM 133 OG SER 28 2.294 5.170 -12.115 1.00 0.00 ATOM 134 O SER 28 3.393 3.470 -8.907 1.00 0.00 ATOM 135 C SER 28 3.899 3.973 -9.915 1.00 0.00 ATOM 136 N VAL 29 4.637 5.070 -9.856 1.00 0.00 ATOM 137 CA VAL 29 4.970 5.695 -8.572 1.00 0.00 ATOM 138 CB VAL 29 6.482 5.950 -8.444 1.00 0.00 ATOM 139 CG1 VAL 29 7.249 4.635 -8.473 1.00 0.00 ATOM 140 CG2 VAL 29 6.976 6.820 -9.590 1.00 0.00 ATOM 141 O VAL 29 4.003 7.721 -9.398 1.00 0.00 ATOM 142 C VAL 29 4.270 7.037 -8.400 1.00 0.00 ATOM 143 N GLU 30 4.007 7.430 -7.143 1.00 0.00 ATOM 144 CA GLU 30 3.507 8.780 -6.823 1.00 0.00 ATOM 145 CB GLU 30 4.577 9.832 -7.119 1.00 0.00 ATOM 146 CG GLU 30 5.860 9.654 -6.322 1.00 0.00 ATOM 147 CD GLU 30 6.915 10.681 -6.679 1.00 0.00 ATOM 148 OE1 GLU 30 6.607 11.601 -7.465 1.00 0.00 ATOM 149 OE2 GLU 30 8.051 10.567 -6.173 1.00 0.00 ATOM 150 O GLU 30 2.268 10.102 -8.450 1.00 0.00 ATOM 151 C GLU 30 2.265 9.151 -7.633 1.00 0.00 ATOM 152 N GLU 31 1.215 8.375 -7.432 1.00 0.00 ATOM 153 CA GLU 31 -0.034 8.522 -8.175 1.00 0.00 ATOM 154 CB GLU 31 -0.544 7.156 -8.639 1.00 0.00 ATOM 155 CG GLU 31 -1.855 7.211 -9.407 1.00 0.00 ATOM 156 CD GLU 31 -2.335 5.840 -9.843 1.00 0.00 ATOM 157 OE1 GLU 31 -1.650 4.846 -9.529 1.00 0.00 ATOM 158 OE2 GLU 31 -3.395 5.763 -10.498 1.00 0.00 ATOM 159 O GLU 31 -1.331 8.673 -6.172 1.00 0.00 ATOM 160 C GLU 31 -1.079 9.165 -7.271 1.00 0.00 ATOM 161 N PHE 32 -1.690 10.254 -7.713 1.00 0.00 ATOM 162 CA PHE 32 -2.827 10.781 -6.963 1.00 0.00 ATOM 163 CB PHE 32 -2.756 12.307 -6.887 1.00 0.00 ATOM 164 CG PHE 32 -1.610 12.820 -6.062 1.00 0.00 ATOM 165 CD1 PHE 32 -0.399 13.134 -6.654 1.00 0.00 ATOM 166 CD2 PHE 32 -1.743 12.989 -4.695 1.00 0.00 ATOM 167 CE1 PHE 32 0.655 13.606 -5.895 1.00 0.00 ATOM 168 CE2 PHE 32 -0.688 13.462 -3.937 1.00 0.00 ATOM 169 CZ PHE 32 0.506 13.769 -4.531 1.00 0.00 ATOM 170 O PHE 32 -4.150 10.515 -8.934 1.00 0.00 ATOM 171 C PHE 32 -4.071 10.347 -7.704 1.00 0.00 ATOM 172 N VAL 33 -5.024 9.719 -7.001 1.00 0.00 ATOM 173 CA VAL 33 -6.293 9.386 -7.640 1.00 0.00 ATOM 174 CB VAL 33 -6.579 7.874 -7.576 1.00 0.00 ATOM 175 CG1 VAL 33 -5.516 7.099 -8.340 1.00 0.00 ATOM 176 CG2 VAL 33 -6.580 7.394 -6.133 1.00 0.00 ATOM 177 O VAL 33 -7.292 10.445 -5.737 1.00 0.00 ATOM 178 C VAL 33 -7.432 10.135 -6.917 1.00 0.00 ATOM 179 N PRO 34 -8.498 10.474 -7.645 1.00 0.00 ATOM 180 CA PRO 34 -9.702 11.041 -7.016 1.00 0.00 ATOM 181 CB PRO 34 -10.471 11.664 -8.183 1.00 0.00 ATOM 182 CG PRO 34 -10.095 10.834 -9.363 1.00 0.00 ATOM 183 CD PRO 34 -8.664 10.423 -9.145 1.00 0.00 ATOM 184 O PRO 34 -11.024 9.010 -7.020 1.00 0.00 ATOM 185 C PRO 34 -10.467 9.897 -6.345 1.00 0.00 ATOM 186 N ALA 35 -10.476 9.896 -5.011 1.00 0.00 ATOM 187 CA ALA 35 -11.203 8.868 -4.300 1.00 0.00 ATOM 188 CB ALA 35 -10.803 8.854 -2.832 1.00 0.00 ATOM 189 O ALA 35 -13.203 10.066 -5.020 1.00 0.00 ATOM 190 C ALA 35 -12.711 9.093 -4.372 1.00 0.00 ATOM 191 N ARG 36 -13.451 8.193 -3.735 1.00 0.00 ATOM 192 CA ARG 36 -14.908 8.346 -3.635 1.00 0.00 ATOM 193 CB ARG 36 -15.505 7.233 -2.771 1.00 0.00 ATOM 194 CG ARG 36 -17.019 7.291 -2.642 1.00 0.00 ATOM 195 CD ARG 36 -17.553 6.096 -1.870 1.00 0.00 ATOM 196 NE ARG 36 -19.004 6.159 -1.702 1.00 0.00 ATOM 197 CZ ARG 36 -19.716 5.266 -1.022 1.00 0.00 ATOM 198 NH1 ARG 36 -21.031 5.404 -0.922 1.00 0.00 ATOM 199 NH2 ARG 36 -19.110 4.238 -0.444 1.00 0.00 ATOM 200 O ARG 36 -16.222 10.388 -3.379 1.00 0.00 ATOM 201 C ARG 36 -15.231 9.703 -2.998 1.00 0.00 ATOM 202 N GLY 37 -14.373 10.100 -2.055 1.00 0.00 ATOM 203 CA GLY 37 -14.587 11.325 -1.272 1.00 0.00 ATOM 204 O GLY 37 -13.971 13.579 -1.861 1.00 0.00 ATOM 205 C GLY 37 -13.585 12.434 -1.607 1.00 0.00 ATOM 206 N LEU 38 -6.436 11.134 -3.109 1.00 0.00 ATOM 207 CA LEU 38 -5.598 10.297 -2.249 1.00 0.00 ATOM 208 CB LEU 38 -6.287 8.960 -1.966 1.00 0.00 ATOM 209 CG LEU 38 -5.565 8.013 -1.008 1.00 0.00 ATOM 210 CD1 LEU 38 -5.501 8.609 0.391 1.00 0.00 ATOM 211 CD2 LEU 38 -6.287 6.678 -0.923 1.00 0.00 ATOM 212 O LEU 38 -4.297 9.657 -4.102 1.00 0.00 ATOM 213 C LEU 38 -4.282 10.042 -2.948 1.00 0.00 ATOM 214 N ARG 39 -3.181 10.203 -2.226 1.00 0.00 ATOM 215 CA ARG 39 -1.845 9.863 -2.730 1.00 0.00 ATOM 216 CB ARG 39 -0.772 10.659 -1.984 1.00 0.00 ATOM 217 CG ARG 39 0.643 10.408 -2.479 1.00 0.00 ATOM 218 CD ARG 39 1.652 11.254 -1.720 1.00 0.00 ATOM 219 NE ARG 39 3.017 11.031 -2.190 1.00 0.00 ATOM 220 CZ ARG 39 4.086 11.650 -1.700 1.00 0.00 ATOM 221 NH1 ARG 39 5.289 11.384 -2.190 1.00 0.00 ATOM 222 NH2 ARG 39 3.950 12.536 -0.723 1.00 0.00 ATOM 223 O ARG 39 -1.765 7.803 -1.472 1.00 0.00 ATOM 224 C ARG 39 -1.544 8.366 -2.542 1.00 0.00 ATOM 225 N VAL 40 -1.084 7.715 -3.605 1.00 0.00 ATOM 226 CA VAL 40 -0.677 6.296 -3.526 1.00 0.00 ATOM 227 CB VAL 40 -1.508 5.416 -4.477 1.00 0.00 ATOM 228 CG1 VAL 40 -1.046 3.969 -4.406 1.00 0.00 ATOM 229 CG2 VAL 40 -2.981 5.470 -4.103 1.00 0.00 ATOM 230 O VAL 40 1.167 6.635 -5.059 1.00 0.00 ATOM 231 C VAL 40 0.802 6.242 -3.922 1.00 0.00 ATOM 232 N ASP 41 1.656 5.794 -2.998 1.00 0.00 ATOM 233 CA ASP 41 3.130 5.847 -3.259 1.00 0.00 ATOM 234 CB ASP 41 3.910 5.416 -2.015 1.00 0.00 ATOM 235 CG ASP 41 3.881 6.461 -0.918 1.00 0.00 ATOM 236 OD1 ASP 41 3.474 7.608 -1.200 1.00 0.00 ATOM 237 OD2 ASP 41 4.263 6.134 0.225 1.00 0.00 ATOM 238 O ASP 41 4.416 5.289 -5.245 1.00 0.00 ATOM 239 C ASP 41 3.547 4.925 -4.407 1.00 0.00 ATOM 240 N VAL 42 2.944 3.740 -4.464 1.00 0.00 ATOM 241 CA VAL 42 3.175 2.826 -5.591 1.00 0.00 ATOM 242 CB VAL 42 4.266 1.791 -5.265 1.00 0.00 ATOM 243 CG1 VAL 42 4.481 0.852 -6.441 1.00 0.00 ATOM 244 CG2 VAL 42 5.585 2.486 -4.958 1.00 0.00 ATOM 245 O VAL 42 1.244 1.550 -4.985 1.00 0.00 ATOM 246 C VAL 42 1.881 2.101 -5.891 1.00 0.00 ATOM 247 N MET 43 1.529 2.055 -7.163 1.00 0.00 ATOM 248 CA MET 43 0.481 1.199 -7.643 1.00 0.00 ATOM 249 CB MET 43 -0.411 1.951 -8.633 1.00 0.00 ATOM 250 CG MET 43 -1.620 1.159 -9.102 1.00 0.00 ATOM 251 SD MET 43 -2.647 2.081 -10.263 1.00 0.00 ATOM 252 CE MET 43 -1.561 2.163 -11.684 1.00 0.00 ATOM 253 O MET 43 1.917 0.236 -9.288 1.00 0.00 ATOM 254 C MET 43 1.179 0.025 -8.329 1.00 0.00 ATOM 255 N GLY 44 0.947 -1.191 -7.851 1.00 0.00 ATOM 256 CA GLY 44 1.637 -2.379 -8.391 1.00 0.00 ATOM 257 O GLY 44 -0.291 -3.748 -8.066 1.00 0.00 ATOM 258 C GLY 44 0.637 -3.428 -8.808 1.00 0.00 ATOM 262 N LYS 48 -0.610 -10.273 -12.508 1.00 0.00 ATOM 263 CA LYS 48 -1.597 -11.313 -12.785 1.00 0.00 ATOM 264 CB LYS 48 -1.159 -12.645 -12.172 1.00 0.00 ATOM 265 CG LYS 48 0.081 -13.244 -12.812 1.00 0.00 ATOM 266 CD LYS 48 0.448 -14.573 -12.170 1.00 0.00 ATOM 267 CE LYS 48 1.698 -15.165 -12.799 1.00 0.00 ATOM 268 NZ LYS 48 2.076 -16.461 -12.171 1.00 0.00 ATOM 269 O LYS 48 -3.607 -11.856 -11.566 1.00 0.00 ATOM 270 C LYS 48 -2.981 -11.010 -12.229 1.00 0.00 ATOM 271 N GLY 49 -3.433 -9.803 -12.506 1.00 0.00 ATOM 272 CA GLY 49 -4.791 -9.403 -12.207 1.00 0.00 ATOM 273 O GLY 49 -6.178 -8.877 -10.372 1.00 0.00 ATOM 274 C GLY 49 -5.030 -9.015 -10.773 1.00 0.00 ATOM 275 N GLU 50 -3.965 -8.887 -9.986 1.00 0.00 ATOM 276 CA GLU 50 -4.098 -8.333 -8.629 1.00 0.00 ATOM 277 CB GLU 50 -3.355 -9.210 -7.618 1.00 0.00 ATOM 278 CG GLU 50 -3.944 -10.600 -7.450 1.00 0.00 ATOM 279 CD GLU 50 -3.228 -11.413 -6.390 1.00 0.00 ATOM 280 OE1 GLU 50 -2.234 -10.910 -5.826 1.00 0.00 ATOM 281 OE2 GLU 50 -3.663 -12.553 -6.121 1.00 0.00 ATOM 282 O GLU 50 -2.466 -6.784 -9.300 1.00 0.00 ATOM 283 C GLU 50 -3.499 -6.954 -8.667 1.00 0.00 ATOM 284 N ILE 51 -4.134 -5.965 -8.008 1.00 0.00 ATOM 285 CA ILE 51 -3.626 -4.590 -8.036 1.00 0.00 ATOM 286 CB ILE 51 -4.542 -3.667 -8.862 1.00 0.00 ATOM 287 CG1 ILE 51 -4.632 -4.160 -10.307 1.00 0.00 ATOM 288 CG2 ILE 51 -3.998 -2.247 -8.869 1.00 0.00 ATOM 289 CD1 ILE 51 -5.649 -3.415 -11.144 1.00 0.00 ATOM 290 O ILE 51 -4.567 -4.045 -5.906 1.00 0.00 ATOM 291 C ILE 51 -3.552 -4.052 -6.613 1.00 0.00 ATOM 292 N TRP 52 -2.366 -3.608 -6.213 1.00 0.00 ATOM 293 CA TRP 52 -2.113 -3.179 -4.828 1.00 0.00 ATOM 294 CB TRP 52 -0.824 -3.808 -4.299 1.00 0.00 ATOM 295 CG TRP 52 -0.905 -5.295 -4.135 1.00 0.00 ATOM 296 CD1 TRP 52 -1.947 -6.102 -4.487 1.00 0.00 ATOM 297 CD2 TRP 52 0.097 -6.153 -3.573 1.00 0.00 ATOM 298 CE2 TRP 52 -0.408 -7.467 -3.620 1.00 0.00 ATOM 299 CE3 TRP 52 1.370 -5.937 -3.037 1.00 0.00 ATOM 300 NE1 TRP 52 -1.658 -7.410 -4.182 1.00 0.00 ATOM 301 CZ2 TRP 52 0.316 -8.562 -3.150 1.00 0.00 ATOM 302 CZ3 TRP 52 2.083 -7.026 -2.572 1.00 0.00 ATOM 303 CH2 TRP 52 1.559 -8.321 -2.631 1.00 0.00 ATOM 304 O TRP 52 -1.346 -1.020 -5.555 1.00 0.00 ATOM 305 C TRP 52 -1.968 -1.677 -4.699 1.00 0.00 ATOM 306 N VAL 53 -2.542 -1.129 -3.630 1.00 0.00 ATOM 307 CA VAL 53 -2.338 0.261 -3.241 1.00 0.00 ATOM 308 CB VAL 53 -3.618 0.871 -2.640 1.00 0.00 ATOM 309 CG1 VAL 53 -3.374 2.313 -2.220 1.00 0.00 ATOM 310 CG2 VAL 53 -4.749 0.851 -3.659 1.00 0.00 ATOM 311 O VAL 53 -1.460 -0.046 -1.025 1.00 0.00 ATOM 312 C VAL 53 -1.233 0.301 -2.204 1.00 0.00 ATOM 313 N ILE 54 -0.032 0.742 -2.616 1.00 0.00 ATOM 314 CA ILE 54 1.124 0.700 -1.718 1.00 0.00 ATOM 315 CB ILE 54 2.387 0.205 -2.447 1.00 0.00 ATOM 316 CG1 ILE 54 2.179 -1.221 -2.964 1.00 0.00 ATOM 317 CG2 ILE 54 3.581 0.206 -1.506 1.00 0.00 ATOM 318 CD1 ILE 54 3.271 -1.698 -3.897 1.00 0.00 ATOM 319 O ILE 54 1.523 3.048 -1.863 1.00 0.00 ATOM 320 C ILE 54 1.460 2.062 -1.136 1.00 0.00 ATOM 321 N GLU 55 1.649 2.112 0.182 1.00 0.00 ATOM 322 CA GLU 55 2.148 3.315 0.875 1.00 0.00 ATOM 323 CB GLU 55 1.114 3.822 1.881 1.00 0.00 ATOM 324 CG GLU 55 -0.200 4.259 1.255 1.00 0.00 ATOM 325 CD GLU 55 -0.093 5.596 0.548 1.00 0.00 ATOM 326 OE1 GLU 55 0.953 6.263 0.695 1.00 0.00 ATOM 327 OE2 GLU 55 -1.053 5.975 -0.155 1.00 0.00 ATOM 328 O GLU 55 3.544 1.911 2.240 1.00 0.00 ATOM 329 C GLU 55 3.434 2.984 1.616 1.00 0.00 ATOM 330 N CYS 56 4.421 3.871 1.503 1.00 0.00 ATOM 331 CA CYS 56 5.666 3.744 2.245 1.00 0.00 ATOM 332 CB CYS 56 6.849 4.207 1.392 1.00 0.00 ATOM 333 SG CYS 56 7.118 3.229 -0.105 1.00 0.00 ATOM 334 O CYS 56 5.196 5.769 3.413 1.00 0.00 ATOM 335 C CYS 56 5.574 4.608 3.495 1.00 0.00 ATOM 336 N LYS 57 5.906 4.028 4.638 1.00 0.00 ATOM 337 CA LYS 57 6.056 4.775 5.871 1.00 0.00 ATOM 338 CB LYS 57 4.948 4.408 6.860 1.00 0.00 ATOM 339 CG LYS 57 3.550 4.781 6.392 1.00 0.00 ATOM 340 CD LYS 57 2.529 4.595 7.502 1.00 0.00 ATOM 341 CE LYS 57 1.137 5.000 7.045 1.00 0.00 ATOM 342 NZ LYS 57 0.097 4.641 8.047 1.00 0.00 ATOM 343 O LYS 57 7.538 3.440 7.188 1.00 0.00 ATOM 344 C LYS 57 7.418 4.410 6.445 1.00 0.00 ATOM 345 N SER 58 8.436 5.177 6.062 1.00 0.00 ATOM 346 CA SER 58 9.816 4.911 6.489 1.00 0.00 ATOM 347 CB SER 58 10.791 5.163 5.336 1.00 0.00 ATOM 348 OG SER 58 10.515 4.310 4.239 1.00 0.00 ATOM 349 O SER 58 9.497 6.860 7.864 1.00 0.00 ATOM 350 C SER 58 10.162 5.839 7.654 1.00 0.00 ATOM 351 N SER 59 3.044 2.161 13.432 1.00 0.00 ATOM 352 CA SER 59 2.038 1.680 14.381 1.00 0.00 ATOM 353 CB SER 59 2.002 2.574 15.622 1.00 0.00 ATOM 354 OG SER 59 1.533 3.872 15.301 1.00 0.00 ATOM 355 O SER 59 0.288 1.706 12.722 1.00 0.00 ATOM 356 C SER 59 0.600 1.618 13.916 1.00 0.00 ATOM 357 N ARG 60 -0.295 1.433 14.893 1.00 0.00 ATOM 358 CA ARG 60 -1.689 1.143 14.593 1.00 0.00 ATOM 359 CB ARG 60 -2.464 0.853 15.880 1.00 0.00 ATOM 360 CG ARG 60 -2.113 -0.475 16.531 1.00 0.00 ATOM 361 CD ARG 60 -2.860 -0.662 17.842 1.00 0.00 ATOM 362 NE ARG 60 -2.529 -1.933 18.484 1.00 0.00 ATOM 363 CZ ARG 60 -2.982 -2.308 19.674 1.00 0.00 ATOM 364 NH1 ARG 60 -2.628 -3.482 20.178 1.00 0.00 ATOM 365 NH2 ARG 60 -3.788 -1.510 20.360 1.00 0.00 ATOM 366 O ARG 60 -3.103 2.123 12.960 1.00 0.00 ATOM 367 C ARG 60 -2.367 2.319 13.891 1.00 0.00 ATOM 368 N ALA 61 -2.086 3.542 14.319 1.00 0.00 ATOM 369 CA ALA 61 -2.707 4.688 13.704 1.00 0.00 ATOM 370 CB ALA 61 -2.189 5.973 14.331 1.00 0.00 ATOM 371 O ALA 61 -3.307 4.913 11.408 1.00 0.00 ATOM 372 C ALA 61 -2.408 4.736 12.200 1.00 0.00 ATOM 373 N ASP 62 -1.139 4.539 11.831 1.00 0.00 ATOM 374 CA ASP 62 -0.759 4.497 10.409 1.00 0.00 ATOM 375 CB ASP 62 0.740 4.223 10.263 1.00 0.00 ATOM 376 CG ASP 62 1.591 5.417 10.647 1.00 0.00 ATOM 377 OD1 ASP 62 1.031 6.522 10.798 1.00 0.00 ATOM 378 OD2 ASP 62 2.819 5.246 10.799 1.00 0.00 ATOM 379 O ASP 62 -1.947 3.666 8.509 1.00 0.00 ATOM 380 C ASP 62 -1.488 3.420 9.636 1.00 0.00 ATOM 381 N PHE 63 -1.588 2.222 10.218 1.00 0.00 ATOM 382 CA PHE 63 -2.329 1.124 9.604 1.00 0.00 ATOM 383 CB PHE 63 -2.283 -0.118 10.498 1.00 0.00 ATOM 384 CG PHE 63 -0.927 -0.758 10.576 1.00 0.00 ATOM 385 CD1 PHE 63 0.071 -0.414 9.680 1.00 0.00 ATOM 386 CD2 PHE 63 -0.647 -1.706 11.546 1.00 0.00 ATOM 387 CE1 PHE 63 1.318 -1.003 9.753 1.00 0.00 ATOM 388 CE2 PHE 63 0.600 -2.295 11.618 1.00 0.00 ATOM 389 CZ PHE 63 1.581 -1.948 10.727 1.00 0.00 ATOM 390 O PHE 63 -4.379 1.229 8.302 1.00 0.00 ATOM 391 C PHE 63 -3.814 1.468 9.372 1.00 0.00 ATOM 392 N GLN 64 -4.443 2.053 10.390 1.00 0.00 ATOM 393 CA GLN 64 -5.845 2.381 10.296 1.00 0.00 ATOM 394 CB GLN 64 -6.377 2.854 11.650 1.00 0.00 ATOM 395 CG GLN 64 -6.465 1.758 12.699 1.00 0.00 ATOM 396 CD GLN 64 -6.890 2.284 14.057 1.00 0.00 ATOM 397 OE1 GLN 64 -7.026 3.491 14.251 1.00 0.00 ATOM 398 NE2 GLN 64 -7.102 1.376 15.001 1.00 0.00 ATOM 399 O GLN 64 -7.096 3.423 8.531 1.00 0.00 ATOM 400 C GLN 64 -6.124 3.493 9.285 1.00 0.00 ATOM 401 N ALA 65 -5.313 4.549 9.264 1.00 0.00 ATOM 402 CA ALA 65 -5.299 5.600 8.206 1.00 0.00 ATOM 403 CB ALA 65 -4.079 6.495 8.365 1.00 0.00 ATOM 404 O ALA 65 -5.950 5.375 5.885 1.00 0.00 ATOM 405 C ALA 65 -5.252 4.996 6.823 1.00 0.00 ATOM 406 N ASP 66 -4.300 4.063 6.677 1.00 0.00 ATOM 407 CA ASP 66 -4.070 3.412 5.395 1.00 0.00 ATOM 408 CB ASP 66 -2.874 2.464 5.483 1.00 0.00 ATOM 409 CG ASP 66 -2.409 1.983 4.122 1.00 0.00 ATOM 410 OD1 ASP 66 -3.244 1.443 3.367 1.00 0.00 ATOM 411 OD2 ASP 66 -1.212 2.148 3.811 1.00 0.00 ATOM 412 O ASP 66 -5.624 2.615 3.810 1.00 0.00 ATOM 413 C ASP 66 -5.272 2.612 4.972 1.00 0.00 ATOM 414 N ALA 67 -8.396 3.232 5.807 1.00 0.00 ATOM 415 CA ALA 67 -9.385 4.243 5.345 1.00 0.00 ATOM 416 CB ALA 67 -9.410 5.432 6.294 1.00 0.00 ATOM 417 O ALA 67 -9.965 4.977 3.122 1.00 0.00 ATOM 418 C ALA 67 -9.064 4.777 3.948 1.00 0.00 ATOM 419 N LYS 68 -7.780 4.997 3.655 1.00 0.00 ATOM 420 CA LYS 68 -7.348 5.425 2.317 1.00 0.00 ATOM 421 CB LYS 68 -5.826 5.579 2.270 1.00 0.00 ATOM 422 CG LYS 68 -5.298 6.759 3.069 1.00 0.00 ATOM 423 CD LYS 68 -3.783 6.853 2.981 1.00 0.00 ATOM 424 CE LYS 68 -3.252 8.017 3.801 1.00 0.00 ATOM 425 NZ LYS 68 -1.766 8.099 3.752 1.00 0.00 ATOM 426 O LYS 68 -8.286 4.760 0.216 1.00 0.00 ATOM 427 C LYS 68 -7.758 4.403 1.273 1.00 0.00 ATOM 428 N TRP 69 -7.451 3.134 1.560 1.00 0.00 ATOM 429 CA TRP 69 -7.827 2.027 0.670 1.00 0.00 ATOM 430 CB TRP 69 -7.477 0.682 1.310 1.00 0.00 ATOM 431 CG TRP 69 -7.805 -0.497 0.445 1.00 0.00 ATOM 432 CD1 TRP 69 -7.021 -1.043 -0.530 1.00 0.00 ATOM 433 CD2 TRP 69 -9.006 -1.277 0.479 1.00 0.00 ATOM 434 CE2 TRP 69 -8.879 -2.278 -0.505 1.00 0.00 ATOM 435 CE3 TRP 69 -10.176 -1.226 1.241 1.00 0.00 ATOM 436 NE1 TRP 69 -7.657 -2.114 -1.107 1.00 0.00 ATOM 437 CZ2 TRP 69 -9.879 -3.221 -0.744 1.00 0.00 ATOM 438 CZ3 TRP 69 -11.164 -2.163 1.002 1.00 0.00 ATOM 439 CH2 TRP 69 -11.013 -3.148 0.019 1.00 0.00 ATOM 440 O TRP 69 -9.796 1.983 -0.740 1.00 0.00 ATOM 441 C TRP 69 -9.345 2.062 0.393 1.00 0.00 ATOM 442 N GLN 70 -10.161 2.210 1.433 1.00 0.00 ATOM 443 CA GLN 70 -11.611 2.204 1.202 1.00 0.00 ATOM 444 CB GLN 70 -12.364 2.386 2.520 1.00 0.00 ATOM 445 CG GLN 70 -12.288 1.186 3.450 1.00 0.00 ATOM 446 CD GLN 70 -12.948 1.443 4.790 1.00 0.00 ATOM 447 OE1 GLN 70 -13.393 2.557 5.070 1.00 0.00 ATOM 448 NE2 GLN 70 -13.016 0.413 5.624 1.00 0.00 ATOM 449 O GLN 70 -12.917 3.156 -0.589 1.00 0.00 ATOM 450 C GLN 70 -12.029 3.335 0.258 1.00 0.00 ATOM 451 N GLY 71 -11.371 4.487 0.385 1.00 0.00 ATOM 452 CA GLY 71 -11.705 5.651 -0.451 1.00 0.00 ATOM 453 O GLY 71 -11.848 6.130 -2.798 1.00 0.00 ATOM 454 C GLY 71 -11.270 5.482 -1.934 1.00 0.00 ATOM 455 N TYR 72 -10.262 4.633 -2.210 1.00 0.00 ATOM 456 CA TYR 72 -9.793 4.425 -3.607 1.00 0.00 ATOM 457 CB TYR 72 -8.265 4.476 -3.673 1.00 0.00 ATOM 458 CG TYR 72 -7.581 3.381 -2.886 1.00 0.00 ATOM 459 CD1 TYR 72 -7.345 2.136 -3.455 1.00 0.00 ATOM 460 CD2 TYR 72 -7.173 3.597 -1.575 1.00 0.00 ATOM 461 CE1 TYR 72 -6.721 1.131 -2.741 1.00 0.00 ATOM 462 CE2 TYR 72 -6.546 2.604 -0.848 1.00 0.00 ATOM 463 CZ TYR 72 -6.323 1.363 -1.443 1.00 0.00 ATOM 464 OH TYR 72 -5.700 0.363 -0.731 1.00 0.00 ATOM 465 O TYR 72 -10.049 2.860 -5.385 1.00 0.00 ATOM 466 C TYR 72 -10.213 3.092 -4.195 1.00 0.00 ATOM 467 N LEU 73 -10.808 2.245 -3.361 1.00 0.00 ATOM 468 CA LEU 73 -11.075 0.851 -3.723 1.00 0.00 ATOM 469 CB LEU 73 -11.891 0.160 -2.628 1.00 0.00 ATOM 470 CG LEU 73 -12.232 -1.313 -2.865 1.00 0.00 ATOM 471 CD1 LEU 73 -10.965 -2.152 -2.939 1.00 0.00 ATOM 472 CD2 LEU 73 -13.095 -1.853 -1.736 1.00 0.00 ATOM 473 O LEU 73 -11.614 -0.198 -5.800 1.00 0.00 ATOM 474 C LEU 73 -11.860 0.723 -5.023 1.00 0.00 ATOM 475 N GLU 74 -12.809 1.638 -5.265 1.00 0.00 ATOM 476 CA GLU 74 -13.626 1.638 -6.493 1.00 0.00 ATOM 477 CB GLU 74 -14.627 2.795 -6.472 1.00 0.00 ATOM 478 CG GLU 74 -15.758 2.618 -5.472 1.00 0.00 ATOM 479 CD GLU 74 -16.678 3.821 -5.414 1.00 0.00 ATOM 480 OE1 GLU 74 -16.384 4.827 -6.092 1.00 0.00 ATOM 481 OE2 GLU 74 -17.695 3.758 -4.691 1.00 0.00 ATOM 482 O GLU 74 -13.315 1.460 -8.879 1.00 0.00 ATOM 483 C GLU 74 -12.818 1.789 -7.789 1.00 0.00 ATOM 484 N TRP 75 -11.579 2.282 -7.678 1.00 0.00 ATOM 485 CA TRP 75 -10.656 2.345 -8.819 1.00 0.00 ATOM 486 CB TRP 75 -9.489 3.285 -8.513 1.00 0.00 ATOM 487 CG TRP 75 -8.650 3.610 -9.712 1.00 0.00 ATOM 488 CD1 TRP 75 -7.389 3.160 -9.976 1.00 0.00 ATOM 489 CD2 TRP 75 -9.013 4.458 -10.810 1.00 0.00 ATOM 490 CE2 TRP 75 -7.923 4.472 -11.701 1.00 0.00 ATOM 491 CE3 TRP 75 -10.152 5.202 -11.125 1.00 0.00 ATOM 492 NE1 TRP 75 -6.942 3.672 -11.170 1.00 0.00 ATOM 493 CZ2 TRP 75 -7.938 5.205 -12.887 1.00 0.00 ATOM 494 CZ3 TRP 75 -10.162 5.928 -12.301 1.00 0.00 ATOM 495 CH2 TRP 75 -9.066 5.925 -13.170 1.00 0.00 ATOM 496 O TRP 75 -9.235 0.925 -10.149 1.00 0.00 ATOM 497 C TRP 75 -10.043 0.991 -9.196 1.00 0.00 ATOM 498 N CYS 76 -8.711 -1.752 -6.660 1.00 0.00 ATOM 499 CA CYS 76 -7.569 -2.155 -5.817 1.00 0.00 ATOM 500 CB CYS 76 -7.200 -1.034 -4.845 1.00 0.00 ATOM 501 SG CYS 76 -5.802 -1.416 -3.760 1.00 0.00 ATOM 502 O CYS 76 -9.010 -3.403 -4.399 1.00 0.00 ATOM 503 C CYS 76 -7.945 -3.373 -5.044 1.00 0.00 ATOM 504 N ASP 77 -7.069 -4.379 -5.104 1.00 0.00 ATOM 505 CA ASP 77 -7.275 -5.652 -4.436 1.00 0.00 ATOM 506 CB ASP 77 -6.281 -6.694 -4.953 1.00 0.00 ATOM 507 CG ASP 77 -6.495 -8.061 -4.334 1.00 0.00 ATOM 508 OD1 ASP 77 -7.589 -8.633 -4.522 1.00 0.00 ATOM 509 OD2 ASP 77 -5.569 -8.560 -3.659 1.00 0.00 ATOM 510 O ASP 77 -7.913 -6.030 -2.155 1.00 0.00 ATOM 511 C ASP 77 -7.086 -5.540 -2.927 1.00 0.00 ATOM 512 N ARG 78 -6.005 -4.875 -2.531 1.00 0.00 ATOM 513 CA ARG 78 -5.562 -4.821 -1.159 1.00 0.00 ATOM 514 CB ARG 78 -4.824 -6.106 -0.783 1.00 0.00 ATOM 515 CG ARG 78 -4.433 -6.192 0.684 1.00 0.00 ATOM 516 CD ARG 78 -3.738 -7.507 0.995 1.00 0.00 ATOM 517 NE ARG 78 -3.443 -7.647 2.419 1.00 0.00 ATOM 518 CZ ARG 78 -2.981 -8.759 2.980 1.00 0.00 ATOM 519 NH1 ARG 78 -2.741 -8.793 4.284 1.00 0.00 ATOM 520 NH2 ARG 78 -2.762 -9.835 2.238 1.00 0.00 ATOM 521 O ARG 78 -3.924 -3.309 -1.966 1.00 0.00 ATOM 522 C ARG 78 -4.641 -3.653 -1.011 1.00 0.00 ATOM 523 N TYR 79 -4.625 -3.039 0.191 1.00 0.00 ATOM 524 CA TYR 79 -3.570 -2.089 0.508 1.00 0.00 ATOM 525 CB TYR 79 -4.043 -1.099 1.575 1.00 0.00 ATOM 526 CG TYR 79 -4.329 -1.733 2.917 1.00 0.00 ATOM 527 CD1 TYR 79 -3.302 -1.977 3.820 1.00 0.00 ATOM 528 CD2 TYR 79 -5.622 -2.087 3.275 1.00 0.00 ATOM 529 CE1 TYR 79 -3.554 -2.557 5.050 1.00 0.00 ATOM 530 CE2 TYR 79 -5.893 -2.667 4.500 1.00 0.00 ATOM 531 CZ TYR 79 -4.844 -2.901 5.389 1.00 0.00 ATOM 532 OH TYR 79 -5.097 -3.478 6.613 1.00 0.00 ATOM 533 O TYR 79 -2.457 -3.961 1.529 1.00 0.00 ATOM 534 C TYR 79 -2.341 -2.829 1.039 1.00 0.00 ATOM 535 N PHE 80 -1.187 -2.169 0.977 1.00 0.00 ATOM 536 CA PHE 80 0.104 -2.792 1.334 1.00 0.00 ATOM 537 CB PHE 80 0.740 -3.447 0.107 1.00 0.00 ATOM 538 CG PHE 80 1.997 -4.210 0.411 1.00 0.00 ATOM 539 CD1 PHE 80 1.939 -5.474 0.973 1.00 0.00 ATOM 540 CD2 PHE 80 3.240 -3.665 0.136 1.00 0.00 ATOM 541 CE1 PHE 80 3.095 -6.176 1.253 1.00 0.00 ATOM 542 CE2 PHE 80 4.396 -4.368 0.416 1.00 0.00 ATOM 543 CZ PHE 80 4.328 -5.617 0.973 1.00 0.00 ATOM 544 O PHE 80 1.202 -0.656 1.188 1.00 0.00 ATOM 545 C PHE 80 1.007 -1.684 1.864 1.00 0.00 ATOM 546 N TRP 81 1.521 -1.850 3.074 1.00 0.00 ATOM 547 CA TRP 81 2.425 -0.857 3.652 1.00 0.00 ATOM 548 CB TRP 81 2.018 -0.537 5.092 1.00 0.00 ATOM 549 CG TRP 81 0.723 0.210 5.198 1.00 0.00 ATOM 550 CD1 TRP 81 -0.524 -0.328 5.323 1.00 0.00 ATOM 551 CD2 TRP 81 0.550 1.632 5.188 1.00 0.00 ATOM 552 CE2 TRP 81 -0.831 1.884 5.312 1.00 0.00 ATOM 553 CE3 TRP 81 1.425 2.718 5.087 1.00 0.00 ATOM 554 NE1 TRP 81 -1.466 0.671 5.392 1.00 0.00 ATOM 555 CZ2 TRP 81 -1.356 3.175 5.335 1.00 0.00 ATOM 556 CZ3 TRP 81 0.902 3.996 5.112 1.00 0.00 ATOM 557 CH2 TRP 81 -0.474 4.217 5.235 1.00 0.00 ATOM 558 O TRP 81 4.077 -2.563 4.074 1.00 0.00 ATOM 559 C TRP 81 3.845 -1.416 3.642 1.00 0.00 ATOM 560 N ALA 82 4.781 -0.597 3.175 1.00 0.00 ATOM 561 CA ALA 82 6.211 -0.886 3.335 1.00 0.00 ATOM 562 CB ALA 82 6.943 -0.686 2.017 1.00 0.00 ATOM 563 O ALA 82 6.584 1.244 4.340 1.00 0.00 ATOM 564 C ALA 82 6.813 0.035 4.366 1.00 0.00 ATOM 565 N VAL 83 7.591 -0.537 5.280 1.00 0.00 ATOM 566 CA VAL 83 8.349 0.277 6.194 1.00 0.00 ATOM 567 CB VAL 83 7.749 0.242 7.611 1.00 0.00 ATOM 568 CG1 VAL 83 6.344 0.822 7.610 1.00 0.00 ATOM 569 CG2 VAL 83 7.677 -1.189 8.124 1.00 0.00 ATOM 570 O VAL 83 10.033 -1.437 6.055 1.00 0.00 ATOM 571 C VAL 83 9.786 -0.244 6.260 1.00 0.00 ATOM 572 N ASP 84 10.713 0.645 6.567 1.00 0.00 ATOM 573 CA ASP 84 12.107 0.258 6.709 1.00 0.00 ATOM 574 CB ASP 84 13.027 1.403 6.278 1.00 0.00 ATOM 575 CG ASP 84 12.882 2.630 7.158 1.00 0.00 ATOM 576 OD1 ASP 84 12.043 2.601 8.081 1.00 0.00 ATOM 577 OD2 ASP 84 13.609 3.618 6.923 1.00 0.00 ATOM 578 O ASP 84 13.621 -0.404 8.414 1.00 0.00 ATOM 579 C ASP 84 12.474 -0.103 8.151 1.00 0.00 ATOM 580 N MET 85 11.507 -0.052 9.076 1.00 0.00 ATOM 581 CA MET 85 11.746 -0.523 10.442 1.00 0.00 ATOM 582 CB MET 85 11.360 0.556 11.456 1.00 0.00 ATOM 583 CG MET 85 12.205 1.816 11.373 1.00 0.00 ATOM 584 SD MET 85 13.953 1.506 11.686 1.00 0.00 ATOM 585 CE MET 85 13.920 1.135 13.438 1.00 0.00 ATOM 586 O MET 85 11.072 -2.811 10.030 1.00 0.00 ATOM 587 C MET 85 10.901 -1.779 10.704 1.00 0.00 TER END