PFRMAT TS TARGET T0507 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 T0507 model 4 Wed Jul 16 14:45:49 2008 MODEL 4 PARENT N/A ATOM 2 N LYS 2 -11.099 -8.961 7.890 1.00 0.00 ATOM 3 CA LYS 2 -10.172 -7.831 7.944 1.00 0.00 ATOM 4 CB LYS 2 -9.338 -7.884 9.226 1.00 0.00 ATOM 5 CG LYS 2 -10.136 -7.644 10.497 1.00 0.00 ATOM 6 CD LYS 2 -9.244 -7.691 11.727 1.00 0.00 ATOM 7 CE LYS 2 -10.045 -7.472 12.999 1.00 0.00 ATOM 8 NZ LYS 2 -9.190 -7.553 14.215 1.00 0.00 ATOM 9 O LYS 2 -8.562 -8.834 6.469 1.00 0.00 ATOM 10 C LYS 2 -9.208 -7.825 6.768 1.00 0.00 ATOM 11 N VAL 3 -9.072 -6.680 6.082 1.00 0.00 ATOM 12 CA VAL 3 -8.060 -6.597 5.045 1.00 0.00 ATOM 13 CB VAL 3 -8.598 -5.887 3.789 1.00 0.00 ATOM 14 CG1 VAL 3 -7.491 -5.716 2.759 1.00 0.00 ATOM 15 CG2 VAL 3 -9.720 -6.695 3.158 1.00 0.00 ATOM 16 O VAL 3 -6.928 -5.038 6.491 1.00 0.00 ATOM 17 C VAL 3 -6.844 -5.815 5.543 1.00 0.00 ATOM 18 N ALA 4 -5.737 -6.023 4.857 1.00 0.00 ATOM 19 CA ALA 4 -4.492 -5.303 5.077 1.00 0.00 ATOM 20 CB ALA 4 -3.454 -6.220 5.705 1.00 0.00 ATOM 21 O ALA 4 -3.777 -5.600 2.815 1.00 0.00 ATOM 22 C ALA 4 -3.998 -4.810 3.718 1.00 0.00 ATOM 23 N LEU 5 -3.866 -3.500 3.547 1.00 0.00 ATOM 24 CA LEU 5 -3.400 -2.887 2.302 1.00 0.00 ATOM 25 CB LEU 5 -4.446 -1.912 1.760 1.00 0.00 ATOM 26 CG LEU 5 -4.087 -1.184 0.463 1.00 0.00 ATOM 27 CD1 LEU 5 -3.875 -2.178 -0.670 1.00 0.00 ATOM 28 CD2 LEU 5 -5.200 -0.230 0.055 1.00 0.00 ATOM 29 O LEU 5 -2.195 -1.090 3.259 1.00 0.00 ATOM 30 C LEU 5 -2.107 -2.150 2.637 1.00 0.00 ATOM 31 N GLY 6 -0.979 -2.714 2.240 1.00 0.00 ATOM 32 CA GLY 6 0.278 -2.059 2.596 1.00 0.00 ATOM 33 O GLY 6 0.527 -1.473 0.305 1.00 0.00 ATOM 34 C GLY 6 0.751 -1.155 1.478 1.00 0.00 ATOM 35 N GLY 7 1.402 -0.036 1.813 1.00 0.00 ATOM 36 CA GLY 7 2.004 0.768 0.755 1.00 0.00 ATOM 37 O GLY 7 2.813 2.116 2.565 1.00 0.00 ATOM 38 C GLY 7 2.892 1.856 1.368 1.00 0.00 ATOM 39 N THR 8 3.698 2.459 0.509 1.00 0.00 ATOM 40 CA THR 8 4.408 3.676 0.873 1.00 0.00 ATOM 41 CB THR 8 5.546 3.985 -0.117 1.00 0.00 ATOM 42 CG2 THR 8 6.273 5.257 0.287 1.00 0.00 ATOM 43 OG1 THR 8 6.480 2.899 -0.128 1.00 0.00 ATOM 44 O THR 8 3.589 5.705 1.818 1.00 0.00 ATOM 45 C THR 8 3.485 4.892 0.891 1.00 0.00 ATOM 46 N PHE 9 2.571 5.078 -0.061 1.00 0.00 ATOM 47 CA PHE 9 1.616 6.189 0.008 1.00 0.00 ATOM 48 CB PHE 9 0.733 6.060 1.250 1.00 0.00 ATOM 49 CG PHE 9 -0.138 4.837 1.251 1.00 0.00 ATOM 50 CD1 PHE 9 -0.435 4.180 0.070 1.00 0.00 ATOM 51 CD2 PHE 9 -0.662 4.342 2.433 1.00 0.00 ATOM 52 CE1 PHE 9 -1.235 3.054 0.069 1.00 0.00 ATOM 53 CE2 PHE 9 -1.463 3.216 2.433 1.00 0.00 ATOM 54 CZ PHE 9 -1.752 2.573 1.258 1.00 0.00 ATOM 55 O PHE 9 2.126 8.274 1.086 1.00 0.00 ATOM 56 C PHE 9 2.286 7.575 0.080 1.00 0.00 ATOM 57 N GLU 10 2.974 7.968 -0.972 1.00 0.00 ATOM 58 CA GLU 10 3.833 9.159 -1.026 1.00 0.00 ATOM 59 CB GLU 10 5.306 8.755 -1.115 1.00 0.00 ATOM 60 CG GLU 10 5.633 7.865 -2.302 1.00 0.00 ATOM 61 CD GLU 10 7.083 7.419 -2.313 1.00 0.00 ATOM 62 OE1 GLU 10 7.778 7.634 -1.298 1.00 0.00 ATOM 63 OE2 GLU 10 7.523 6.855 -3.336 1.00 0.00 ATOM 64 O GLU 10 4.414 10.262 -3.067 1.00 0.00 ATOM 65 C GLU 10 3.539 10.043 -2.218 1.00 0.00 ATOM 66 N PRO 11 2.357 10.639 -2.310 1.00 0.00 ATOM 67 CA PRO 11 1.264 10.419 -1.390 1.00 0.00 ATOM 68 CB PRO 11 0.581 11.784 -1.293 1.00 0.00 ATOM 69 CG PRO 11 0.708 12.364 -2.661 1.00 0.00 ATOM 70 CD PRO 11 2.071 11.967 -3.157 1.00 0.00 ATOM 71 O PRO 11 0.188 8.884 -2.884 1.00 0.00 ATOM 72 C PRO 11 0.219 9.384 -1.770 1.00 0.00 ATOM 73 N LEU 12 -0.645 9.136 -0.802 1.00 0.00 ATOM 74 CA LEU 12 -1.820 8.290 -1.062 1.00 0.00 ATOM 75 CB LEU 12 -2.662 8.136 0.206 1.00 0.00 ATOM 76 CG LEU 12 -3.871 7.204 0.109 1.00 0.00 ATOM 77 CD1 LEU 12 -3.424 5.765 -0.103 1.00 0.00 ATOM 78 CD2 LEU 12 -4.699 7.263 1.384 1.00 0.00 ATOM 79 O LEU 12 -2.896 10.174 -2.150 1.00 0.00 ATOM 80 C LEU 12 -2.656 8.951 -2.150 1.00 0.00 ATOM 81 N HIS 13 -3.126 8.175 -3.150 1.00 0.00 ATOM 82 CA HIS 13 -3.878 8.903 -4.211 1.00 0.00 ATOM 83 CB HIS 13 -3.035 9.018 -5.483 1.00 0.00 ATOM 84 CG HIS 13 -2.709 7.698 -6.111 1.00 0.00 ATOM 85 CD2 HIS 13 -3.334 6.840 -7.106 1.00 0.00 ATOM 86 ND1 HIS 13 -1.578 6.980 -5.789 1.00 0.00 ATOM 87 CE1 HIS 13 -1.560 5.846 -6.513 1.00 0.00 ATOM 88 NE2 HIS 13 -2.611 5.755 -7.304 1.00 0.00 ATOM 89 O HIS 13 -5.467 7.158 -3.950 1.00 0.00 ATOM 90 C HIS 13 -5.171 8.181 -4.565 1.00 0.00 ATOM 91 N GLU 14 -5.968 8.677 -5.524 1.00 0.00 ATOM 92 CA GLU 14 -7.227 7.976 -5.793 1.00 0.00 ATOM 93 CB GLU 14 -8.093 8.782 -6.764 1.00 0.00 ATOM 94 CG GLU 14 -8.661 10.061 -6.172 1.00 0.00 ATOM 95 CD GLU 14 -9.451 10.870 -7.183 1.00 0.00 ATOM 96 OE1 GLU 14 -9.523 10.447 -8.356 1.00 0.00 ATOM 97 OE2 GLU 14 -10.002 11.925 -6.801 1.00 0.00 ATOM 98 O GLU 14 -8.010 5.784 -6.393 1.00 0.00 ATOM 99 C GLU 14 -7.052 6.590 -6.416 1.00 0.00 ATOM 100 N GLY 15 -5.886 6.314 -6.978 1.00 0.00 ATOM 101 CA GLY 15 -5.571 4.979 -7.484 1.00 0.00 ATOM 102 O GLY 15 -6.141 2.895 -6.434 1.00 0.00 ATOM 103 C GLY 15 -5.549 3.964 -6.357 1.00 0.00 ATOM 104 N HIS 16 -4.852 4.283 -5.266 1.00 0.00 ATOM 105 CA HIS 16 -4.871 3.472 -4.063 1.00 0.00 ATOM 106 CB HIS 16 -3.926 4.055 -3.009 1.00 0.00 ATOM 107 CG HIS 16 -2.476 3.911 -3.353 1.00 0.00 ATOM 108 CD2 HIS 16 -1.709 3.139 -4.320 1.00 0.00 ATOM 109 ND1 HIS 16 -1.484 4.604 -2.695 1.00 0.00 ATOM 110 CE1 HIS 16 -0.293 4.268 -3.222 1.00 0.00 ATOM 111 NE2 HIS 16 -0.421 3.390 -4.197 1.00 0.00 ATOM 112 O HIS 16 -6.730 2.353 -3.002 1.00 0.00 ATOM 113 C HIS 16 -6.259 3.397 -3.445 1.00 0.00 ATOM 114 N LYS 17 -6.900 4.572 -3.415 1.00 0.00 ATOM 115 CA LYS 17 -8.158 4.644 -2.669 1.00 0.00 ATOM 116 CB LYS 17 -8.585 6.101 -2.475 1.00 0.00 ATOM 117 CG LYS 17 -9.852 6.273 -1.653 1.00 0.00 ATOM 118 CD LYS 17 -10.164 7.742 -1.424 1.00 0.00 ATOM 119 CE LYS 17 -11.445 7.915 -0.622 1.00 0.00 ATOM 120 NZ LYS 17 -11.777 9.350 -0.407 1.00 0.00 ATOM 121 O LYS 17 -10.129 3.252 -2.763 1.00 0.00 ATOM 122 C LYS 17 -9.294 3.926 -3.382 1.00 0.00 ATOM 123 N LYS 18 -9.322 4.063 -4.702 1.00 0.00 ATOM 124 CA LYS 18 -10.332 3.339 -5.495 1.00 0.00 ATOM 125 CB LYS 18 -10.280 3.778 -6.960 1.00 0.00 ATOM 126 CG LYS 18 -11.331 3.125 -7.842 1.00 0.00 ATOM 127 CD LYS 18 -11.281 3.673 -9.258 1.00 0.00 ATOM 128 CE LYS 18 -12.317 3.003 -10.146 1.00 0.00 ATOM 129 NZ LYS 18 -12.266 3.515 -11.543 1.00 0.00 ATOM 130 O LYS 18 -10.966 1.065 -5.243 1.00 0.00 ATOM 131 C LYS 18 -10.024 1.860 -5.387 1.00 0.00 ATOM 132 N LEU 19 -8.762 1.440 -5.362 1.00 0.00 ATOM 133 CA LEU 19 -8.441 0.019 -5.205 1.00 0.00 ATOM 134 CB LEU 19 -6.933 -0.207 -5.340 1.00 0.00 ATOM 135 CG LEU 19 -6.339 0.004 -6.734 1.00 0.00 ATOM 136 CD1 LEU 19 -4.821 -0.077 -6.690 1.00 0.00 ATOM 137 CD2 LEU 19 -6.844 -1.055 -7.701 1.00 0.00 ATOM 138 O LEU 19 -9.315 -1.673 -3.705 1.00 0.00 ATOM 139 C LEU 19 -8.861 -0.523 -3.852 1.00 0.00 ATOM 140 N ILE 20 -8.783 0.251 -2.773 1.00 0.00 ATOM 141 CA ILE 20 -9.222 -0.221 -1.461 1.00 0.00 ATOM 142 CB ILE 20 -8.684 0.677 -0.331 1.00 0.00 ATOM 143 CG1 ILE 20 -8.787 -0.044 1.015 1.00 0.00 ATOM 144 CG2 ILE 20 -9.485 1.966 -0.249 1.00 0.00 ATOM 145 CD1 ILE 20 -8.076 0.669 2.145 1.00 0.00 ATOM 146 O ILE 20 -11.316 -1.096 -0.609 1.00 0.00 ATOM 147 C ILE 20 -10.742 -0.250 -1.300 1.00 0.00 ATOM 148 N ASP 21 -11.464 0.696 -1.901 1.00 0.00 ATOM 149 CA ASP 21 -12.929 0.603 -1.879 1.00 0.00 ATOM 150 CB ASP 21 -13.551 1.794 -2.608 1.00 0.00 ATOM 151 CG ASP 21 -15.053 1.876 -2.411 1.00 0.00 ATOM 152 OD1 ASP 21 -15.592 1.081 -1.611 1.00 0.00 ATOM 153 OD2 ASP 21 -15.691 2.735 -3.055 1.00 0.00 ATOM 154 O ASP 21 -14.120 -1.467 -2.004 1.00 0.00 ATOM 155 C ASP 21 -13.354 -0.693 -2.573 1.00 0.00 ATOM 159 N ILE 24 -12.600 -3.870 -0.774 1.00 0.00 ATOM 160 CA ILE 24 -13.435 -4.157 0.399 1.00 0.00 ATOM 161 CB ILE 24 -13.656 -2.898 1.257 1.00 0.00 ATOM 162 CG1 ILE 24 -12.329 -2.407 1.837 1.00 0.00 ATOM 163 CG2 ILE 24 -14.604 -3.197 2.408 1.00 0.00 ATOM 164 CD1 ILE 24 -11.654 -3.407 2.749 1.00 0.00 ATOM 165 O ILE 24 -15.433 -5.549 0.582 1.00 0.00 ATOM 166 C ILE 24 -14.800 -4.678 -0.037 1.00 0.00 ATOM 167 N LYS 25 -15.299 -4.142 -1.161 1.00 0.00 ATOM 168 CA LYS 25 -16.624 -4.565 -1.623 1.00 0.00 ATOM 169 CB LYS 25 -17.138 -3.621 -2.711 1.00 0.00 ATOM 170 CG LYS 25 -17.510 -2.237 -2.208 1.00 0.00 ATOM 171 CD LYS 25 -18.016 -1.356 -3.337 1.00 0.00 ATOM 172 CE LYS 25 -18.357 0.039 -2.839 1.00 0.00 ATOM 173 NZ LYS 25 -18.832 0.922 -3.940 1.00 0.00 ATOM 174 O LYS 25 -17.376 -6.858 -2.024 1.00 0.00 ATOM 175 C LYS 25 -16.541 -5.972 -2.191 1.00 0.00 ATOM 176 N LEU 26 -15.458 -6.229 -2.929 1.00 0.00 ATOM 177 CA LEU 26 -15.379 -7.594 -3.439 1.00 0.00 ATOM 178 CB LEU 26 -14.167 -7.753 -4.360 1.00 0.00 ATOM 179 CG LEU 26 -14.229 -7.008 -5.696 1.00 0.00 ATOM 180 CD1 LEU 26 -12.902 -7.116 -6.431 1.00 0.00 ATOM 181 CD2 LEU 26 -15.316 -7.590 -6.586 1.00 0.00 ATOM 182 O LEU 26 -15.677 -9.784 -2.513 1.00 0.00 ATOM 183 C LEU 26 -15.243 -8.636 -2.334 1.00 0.00 ATOM 184 N GLY 27 -14.659 -8.262 -1.206 1.00 0.00 ATOM 185 CA GLY 27 -14.419 -9.243 -0.147 1.00 0.00 ATOM 186 O GLY 27 -15.268 -9.845 1.972 1.00 0.00 ATOM 187 C GLY 27 -15.392 -9.103 0.999 1.00 0.00 ATOM 188 N GLY 28 -16.347 -8.189 0.889 1.00 0.00 ATOM 189 CA GLY 28 -17.278 -7.876 1.974 1.00 0.00 ATOM 190 O GLY 28 -16.944 -8.320 4.352 1.00 0.00 ATOM 191 C GLY 28 -16.570 -7.775 3.315 1.00 0.00 ATOM 192 N ARG 29 -15.437 -7.042 3.353 1.00 0.00 ATOM 193 CA ARG 29 -14.724 -6.889 4.607 1.00 0.00 ATOM 194 CB ARG 29 -13.367 -6.221 4.374 1.00 0.00 ATOM 195 CG ARG 29 -12.242 -7.193 4.056 1.00 0.00 ATOM 196 CD ARG 29 -12.459 -7.868 2.712 1.00 0.00 ATOM 197 NE ARG 29 -11.292 -8.644 2.295 1.00 0.00 ATOM 198 CZ ARG 29 -11.233 -9.361 1.178 1.00 0.00 ATOM 199 NH1 ARG 29 -10.130 -10.034 0.880 1.00 0.00 ATOM 200 NH2 ARG 29 -12.277 -9.405 0.362 1.00 0.00 ATOM 201 O ARG 29 -16.164 -5.077 5.252 1.00 0.00 ATOM 202 C ARG 29 -15.479 -6.038 5.608 1.00 0.00 ATOM 203 N ASP 30 -15.326 -6.368 6.885 1.00 0.00 ATOM 204 CA ASP 30 -15.752 -5.479 7.943 1.00 0.00 ATOM 205 CB ASP 30 -15.497 -6.114 9.310 1.00 0.00 ATOM 206 CG ASP 30 -16.461 -7.244 9.618 1.00 0.00 ATOM 207 OD1 ASP 30 -17.466 -7.381 8.888 1.00 0.00 ATOM 208 OD2 ASP 30 -16.212 -7.991 10.587 1.00 0.00 ATOM 209 O ASP 30 -15.487 -3.083 8.021 1.00 0.00 ATOM 210 C ASP 30 -14.958 -4.175 7.829 1.00 0.00 ATOM 211 N ILE 31 -13.677 -4.343 7.516 1.00 0.00 ATOM 212 CA ILE 31 -12.776 -3.183 7.486 1.00 0.00 ATOM 213 CB ILE 31 -12.341 -2.769 8.904 1.00 0.00 ATOM 214 CG1 ILE 31 -11.542 -1.464 8.857 1.00 0.00 ATOM 215 CG2 ILE 31 -11.470 -3.848 9.530 1.00 0.00 ATOM 216 CD1 ILE 31 -11.354 -0.817 10.212 1.00 0.00 ATOM 217 O ILE 31 -10.980 -4.597 6.730 1.00 0.00 ATOM 218 C ILE 31 -11.517 -3.485 6.692 1.00 0.00 ATOM 219 N THR 32 -11.041 -2.484 5.947 1.00 0.00 ATOM 220 CA THR 32 -9.781 -2.622 5.226 1.00 0.00 ATOM 221 CB THR 32 -9.957 -2.335 3.722 1.00 0.00 ATOM 222 CG2 THR 32 -8.630 -2.481 2.993 1.00 0.00 ATOM 223 OG1 THR 32 -10.898 -3.259 3.163 1.00 0.00 ATOM 224 O THR 32 -9.113 -0.423 5.701 1.00 0.00 ATOM 225 C THR 32 -8.787 -1.620 5.822 1.00 0.00 ATOM 226 N ILE 33 -7.698 -2.086 6.405 1.00 0.00 ATOM 227 CA ILE 33 -6.674 -1.211 6.990 1.00 0.00 ATOM 228 CB ILE 33 -5.958 -1.891 8.171 1.00 0.00 ATOM 229 CG1 ILE 33 -6.955 -2.219 9.283 1.00 0.00 ATOM 230 CG2 ILE 33 -4.884 -0.978 8.741 1.00 0.00 ATOM 231 CD1 ILE 33 -6.382 -3.087 10.381 1.00 0.00 ATOM 232 O ILE 33 -4.888 -1.655 5.388 1.00 0.00 ATOM 233 C ILE 33 -5.606 -0.828 5.979 1.00 0.00 ATOM 234 N GLY 34 -5.431 0.484 5.712 1.00 0.00 ATOM 235 CA GLY 34 -4.257 0.869 4.951 1.00 0.00 ATOM 236 O GLY 34 -3.107 1.186 7.042 1.00 0.00 ATOM 237 C GLY 34 -3.042 0.782 5.876 1.00 0.00 ATOM 238 N VAL 35 -1.947 0.245 5.347 1.00 0.00 ATOM 239 CA VAL 35 -0.789 -0.001 6.212 1.00 0.00 ATOM 240 CB VAL 35 -0.481 -1.505 6.331 1.00 0.00 ATOM 241 CG1 VAL 35 0.695 -1.736 7.266 1.00 0.00 ATOM 242 CG2 VAL 35 -1.687 -2.254 6.880 1.00 0.00 ATOM 243 O VAL 35 1.214 0.119 4.892 1.00 0.00 ATOM 244 C VAL 35 0.440 0.687 5.648 1.00 0.00 ATOM 245 N THR 36 0.620 1.962 6.005 1.00 0.00 ATOM 246 CA THR 36 1.777 2.688 5.519 1.00 0.00 ATOM 247 CB THR 36 1.776 4.148 6.010 1.00 0.00 ATOM 248 CG2 THR 36 2.975 4.898 5.453 1.00 0.00 ATOM 249 OG1 THR 36 0.576 4.800 5.573 1.00 0.00 ATOM 250 O THR 36 3.278 1.713 7.164 1.00 0.00 ATOM 251 C THR 36 3.079 2.044 5.999 1.00 0.00 ATOM 252 N SER 37 3.952 1.886 5.018 1.00 0.00 ATOM 253 CA SER 37 5.200 1.160 5.181 1.00 0.00 ATOM 254 CB SER 37 5.707 0.657 3.827 1.00 0.00 ATOM 255 OG SER 37 6.087 1.735 2.992 1.00 0.00 ATOM 256 O SER 37 6.276 3.287 5.577 1.00 0.00 ATOM 257 C SER 37 6.256 2.080 5.791 1.00 0.00 ATOM 258 N ASP 38 7.121 1.448 6.564 1.00 0.00 ATOM 259 CA ASP 38 8.282 2.026 7.201 1.00 0.00 ATOM 260 CB ASP 38 8.652 1.236 8.458 1.00 0.00 ATOM 261 CG ASP 38 9.834 1.834 9.195 1.00 0.00 ATOM 262 OD1 ASP 38 9.704 2.966 9.707 1.00 0.00 ATOM 263 OD2 ASP 38 10.890 1.171 9.260 1.00 0.00 ATOM 264 O ASP 38 9.545 0.990 5.468 1.00 0.00 ATOM 265 C ASP 38 9.427 1.975 6.202 1.00 0.00 ATOM 266 N ARG 39 10.243 3.020 6.201 1.00 0.00 ATOM 267 CA ARG 39 11.455 2.975 5.382 1.00 0.00 ATOM 268 CB ARG 39 11.174 3.521 3.980 1.00 0.00 ATOM 269 CG ARG 39 10.143 2.724 3.199 1.00 0.00 ATOM 270 CD ARG 39 10.688 1.366 2.788 1.00 0.00 ATOM 271 NE ARG 39 9.783 0.663 1.883 1.00 0.00 ATOM 272 CZ ARG 39 8.786 -0.121 2.283 1.00 0.00 ATOM 273 NH1 ARG 39 8.014 -0.720 1.386 1.00 0.00 ATOM 274 NH2 ARG 39 8.564 -0.303 3.577 1.00 0.00 ATOM 275 O ARG 39 12.104 4.598 6.997 1.00 0.00 ATOM 276 C ARG 39 12.491 3.843 6.097 1.00 0.00 ATOM 277 N MET 40 13.760 3.737 5.724 1.00 0.00 ATOM 278 CA MET 40 14.801 4.574 6.338 1.00 0.00 ATOM 279 CB MET 40 16.149 4.342 5.654 1.00 0.00 ATOM 280 CG MET 40 16.719 2.948 5.862 1.00 0.00 ATOM 281 SD MET 40 17.065 2.589 7.595 1.00 0.00 ATOM 282 CE MET 40 18.460 3.673 7.894 1.00 0.00 ATOM 283 O MET 40 13.866 6.378 5.150 1.00 0.00 ATOM 284 C MET 40 14.427 6.039 6.202 1.00 0.00 ATOM 288 N ALA 43 15.102 7.668 2.937 1.00 0.00 ATOM 289 CA ALA 43 14.349 7.099 1.834 1.00 0.00 ATOM 290 CB ALA 43 14.038 5.635 2.103 1.00 0.00 ATOM 291 O ALA 43 12.287 7.551 0.677 1.00 0.00 ATOM 292 C ALA 43 13.024 7.829 1.620 1.00 0.00 ATOM 293 N ILE 45 12.751 8.759 2.534 1.00 0.00 ATOM 294 CA ILE 45 11.522 9.543 2.489 1.00 0.00 ATOM 295 CB ILE 45 11.166 10.114 3.874 1.00 0.00 ATOM 296 CG1 ILE 45 12.262 11.066 4.355 1.00 0.00 ATOM 297 CG2 ILE 45 11.021 8.993 4.891 1.00 0.00 ATOM 298 CD1 ILE 45 11.897 11.834 5.606 1.00 0.00 ATOM 299 O ILE 45 12.784 11.207 1.346 1.00 0.00 ATOM 300 C ILE 45 11.670 10.708 1.525 1.00 0.00 ATOM 301 N ARG 46 10.548 11.141 0.959 1.00 0.00 ATOM 302 CA ARG 46 10.638 12.342 0.117 1.00 0.00 ATOM 303 CB ARG 46 9.263 12.703 -0.450 1.00 0.00 ATOM 304 CG ARG 46 9.272 13.902 -1.384 1.00 0.00 ATOM 305 CD ARG 46 7.895 14.152 -1.975 1.00 0.00 ATOM 306 NE ARG 46 7.898 15.271 -2.916 1.00 0.00 ATOM 307 CZ ARG 46 7.763 16.544 -2.562 1.00 0.00 ATOM 308 NH1 ARG 46 7.778 17.495 -3.487 1.00 0.00 ATOM 309 NH2 ARG 46 7.615 16.866 -1.284 1.00 0.00 ATOM 310 O ARG 46 10.626 13.597 2.107 1.00 0.00 ATOM 311 C ARG 46 11.154 13.452 1.011 1.00 0.00 ATOM 315 N LEU 49 8.973 15.379 3.376 1.00 0.00 ATOM 316 CA LEU 49 7.678 14.729 3.649 1.00 0.00 ATOM 317 CB LEU 49 7.035 14.244 2.348 1.00 0.00 ATOM 318 CG LEU 49 5.612 13.697 2.459 1.00 0.00 ATOM 319 CD1 LEU 49 4.660 14.768 2.967 1.00 0.00 ATOM 320 CD2 LEU 49 5.111 13.222 1.103 1.00 0.00 ATOM 321 O LEU 49 8.479 12.521 4.116 1.00 0.00 ATOM 322 C LEU 49 7.960 13.545 4.571 1.00 0.00 ATOM 323 N PRO 50 7.678 13.698 5.846 1.00 0.00 ATOM 324 CA PRO 50 8.025 12.732 6.876 1.00 0.00 ATOM 325 CB PRO 50 7.781 13.485 8.187 1.00 0.00 ATOM 326 CG PRO 50 7.779 14.925 7.794 1.00 0.00 ATOM 327 CD PRO 50 7.210 14.978 6.404 1.00 0.00 ATOM 328 O PRO 50 6.105 11.438 6.161 1.00 0.00 ATOM 329 C PRO 50 7.160 11.477 6.796 1.00 0.00 ATOM 330 N PHE 51 7.614 10.434 7.492 1.00 0.00 ATOM 331 CA PHE 51 6.720 9.268 7.576 1.00 0.00 ATOM 332 CB PHE 51 7.413 8.111 8.297 1.00 0.00 ATOM 333 CG PHE 51 7.543 8.312 9.780 1.00 0.00 ATOM 334 CD1 PHE 51 6.554 7.871 10.642 1.00 0.00 ATOM 335 CD2 PHE 51 8.654 8.943 10.313 1.00 0.00 ATOM 336 CE1 PHE 51 6.673 8.056 12.007 1.00 0.00 ATOM 337 CE2 PHE 51 8.773 9.127 11.677 1.00 0.00 ATOM 338 CZ PHE 51 7.790 8.687 12.522 1.00 0.00 ATOM 339 O PHE 51 4.390 9.083 8.151 1.00 0.00 ATOM 340 C PHE 51 5.467 9.650 8.343 1.00 0.00 ATOM 341 N ALA 52 5.608 10.622 9.254 1.00 0.00 ATOM 342 CA ALA 52 4.449 11.136 9.975 1.00 0.00 ATOM 343 CB ALA 52 4.878 12.177 10.996 1.00 0.00 ATOM 344 O ALA 52 2.187 11.729 9.254 1.00 0.00 ATOM 345 C ALA 52 3.419 11.798 9.078 1.00 0.00 ATOM 346 N ILE 53 3.896 12.498 8.043 1.00 0.00 ATOM 347 CA ILE 53 2.934 13.165 7.163 1.00 0.00 ATOM 348 CB ILE 53 3.593 14.309 6.371 1.00 0.00 ATOM 349 CG1 ILE 53 4.176 15.352 7.326 1.00 0.00 ATOM 350 CG2 ILE 53 2.572 14.994 5.475 1.00 0.00 ATOM 351 CD1 ILE 53 3.158 15.951 8.272 1.00 0.00 ATOM 352 O ILE 53 1.210 12.307 5.768 1.00 0.00 ATOM 353 C ILE 53 2.365 12.157 6.171 1.00 0.00 ATOM 354 N ARG 54 3.131 11.139 5.766 1.00 0.00 ATOM 355 CA ARG 54 2.504 10.100 4.919 1.00 0.00 ATOM 356 CB ARG 54 3.520 9.013 4.567 1.00 0.00 ATOM 357 CG ARG 54 4.593 9.458 3.588 1.00 0.00 ATOM 358 CD ARG 54 5.608 8.354 3.340 1.00 0.00 ATOM 359 NE ARG 54 6.664 8.778 2.422 1.00 0.00 ATOM 360 CZ ARG 54 7.712 8.030 2.095 1.00 0.00 ATOM 361 NH1 ARG 54 8.622 8.498 1.251 1.00 0.00 ATOM 362 NH2 ARG 54 7.849 6.817 2.611 1.00 0.00 ATOM 363 O ARG 54 0.230 9.197 5.252 1.00 0.00 ATOM 364 C ARG 54 1.347 9.489 5.700 1.00 0.00 ATOM 365 N ALA 55 1.602 9.250 6.998 1.00 0.00 ATOM 366 CA ALA 55 0.573 8.748 7.893 1.00 0.00 ATOM 367 CB ALA 55 1.117 8.623 9.309 1.00 0.00 ATOM 368 O ALA 55 -1.772 9.275 7.708 1.00 0.00 ATOM 369 C ALA 55 -0.632 9.677 7.936 1.00 0.00 ATOM 370 N GLU 56 -0.446 10.952 8.227 1.00 0.00 ATOM 371 CA GLU 56 -1.598 11.829 8.369 1.00 0.00 ATOM 372 CB GLU 56 -1.148 13.251 8.716 1.00 0.00 ATOM 373 CG GLU 56 -0.592 13.400 10.122 1.00 0.00 ATOM 374 CD GLU 56 -0.045 14.788 10.388 1.00 0.00 ATOM 375 OE1 GLU 56 -0.033 15.611 9.449 1.00 0.00 ATOM 376 OE2 GLU 56 0.372 15.052 11.534 1.00 0.00 ATOM 377 O GLU 56 -3.647 12.045 7.136 1.00 0.00 ATOM 378 C GLU 56 -2.435 11.919 7.092 1.00 0.00 ATOM 379 N ASN 57 -1.764 11.869 5.941 1.00 0.00 ATOM 380 CA ASN 57 -2.507 11.941 4.685 1.00 0.00 ATOM 381 CB ASN 57 -1.547 12.029 3.497 1.00 0.00 ATOM 382 CG ASN 57 -0.874 13.384 3.392 1.00 0.00 ATOM 383 ND2 ASN 57 0.256 13.428 2.697 1.00 0.00 ATOM 384 OD1 ASN 57 -1.366 14.376 3.931 1.00 0.00 ATOM 385 O ASN 57 -4.512 10.786 3.978 1.00 0.00 ATOM 386 C ASN 57 -3.390 10.698 4.494 1.00 0.00 ATOM 387 N VAL 58 -2.888 9.528 4.903 1.00 0.00 ATOM 388 CA VAL 58 -3.770 8.350 4.815 1.00 0.00 ATOM 389 CB VAL 58 -3.011 7.050 5.142 1.00 0.00 ATOM 390 CG1 VAL 58 -3.975 5.877 5.222 1.00 0.00 ATOM 391 CG2 VAL 58 -1.979 6.751 4.066 1.00 0.00 ATOM 392 O VAL 58 -6.068 8.073 5.641 1.00 0.00 ATOM 393 C VAL 58 -4.911 8.483 5.787 1.00 0.00 ATOM 394 N LYS 59 -4.614 9.116 6.938 1.00 0.00 ATOM 395 CA LYS 59 -5.684 9.307 7.907 1.00 0.00 ATOM 396 CB LYS 59 -5.141 9.956 9.183 1.00 0.00 ATOM 397 CG LYS 59 -4.251 9.045 10.013 1.00 0.00 ATOM 398 CD LYS 59 -3.751 9.751 11.262 1.00 0.00 ATOM 399 CE LYS 59 -2.842 8.848 12.080 1.00 0.00 ATOM 400 NZ LYS 59 -2.316 9.538 13.290 1.00 0.00 ATOM 401 O LYS 59 -7.956 9.909 7.634 1.00 0.00 ATOM 402 C LYS 59 -6.791 10.209 7.359 1.00 0.00 ATOM 403 N ARG 60 -6.388 11.233 6.621 1.00 0.00 ATOM 404 CA ARG 60 -7.277 12.200 6.015 1.00 0.00 ATOM 405 CB ARG 60 -6.476 13.334 5.371 1.00 0.00 ATOM 406 CG ARG 60 -5.808 14.266 6.369 1.00 0.00 ATOM 407 CD ARG 60 -4.968 15.318 5.665 1.00 0.00 ATOM 408 NE ARG 60 -4.315 16.220 6.611 1.00 0.00 ATOM 409 CZ ARG 60 -3.463 17.179 6.263 1.00 0.00 ATOM 410 NH1 ARG 60 -2.918 17.952 7.192 1.00 0.00 ATOM 411 NH2 ARG 60 -3.159 17.363 4.985 1.00 0.00 ATOM 412 O ARG 60 -9.291 11.709 4.824 1.00 0.00 ATOM 413 C ARG 60 -8.101 11.470 4.941 1.00 0.00 ATOM 414 N TYR 61 -7.382 10.593 4.238 1.00 0.00 ATOM 415 CA TYR 61 -7.973 9.758 3.211 1.00 0.00 ATOM 416 CB TYR 61 -6.922 8.821 2.611 1.00 0.00 ATOM 417 CG TYR 61 -5.946 9.509 1.681 1.00 0.00 ATOM 418 CD1 TYR 61 -4.646 9.778 2.087 1.00 0.00 ATOM 419 CD2 TYR 61 -6.331 9.886 0.402 1.00 0.00 ATOM 420 CE1 TYR 61 -3.749 10.406 1.244 1.00 0.00 ATOM 421 CE2 TYR 61 -5.449 10.515 -0.456 1.00 0.00 ATOM 422 CZ TYR 61 -4.148 10.774 -0.023 1.00 0.00 ATOM 423 OH TYR 61 -3.257 11.399 -0.865 1.00 0.00 ATOM 424 O TYR 61 -10.092 8.690 2.945 1.00 0.00 ATOM 425 C TYR 61 -9.112 8.863 3.676 1.00 0.00 ATOM 426 N VAL 62 -8.978 8.261 4.861 1.00 0.00 ATOM 427 CA VAL 62 -10.021 7.313 5.269 1.00 0.00 ATOM 428 CB VAL 62 -9.423 6.095 5.995 1.00 0.00 ATOM 429 CG1 VAL 62 -8.451 5.357 5.088 1.00 0.00 ATOM 430 CG2 VAL 62 -8.675 6.535 7.244 1.00 0.00 ATOM 431 O VAL 62 -12.003 7.229 6.594 1.00 0.00 ATOM 432 C VAL 62 -11.047 7.910 6.212 1.00 0.00 ATOM 433 N MET 63 -10.837 9.171 6.554 1.00 0.00 ATOM 434 CA MET 63 -11.676 9.922 7.484 1.00 0.00 ATOM 435 CB MET 63 -11.298 11.404 7.470 1.00 0.00 ATOM 436 CG MET 63 -12.041 12.244 8.495 1.00 0.00 ATOM 437 SD MET 63 -11.508 13.966 8.503 1.00 0.00 ATOM 438 CE MET 63 -9.894 13.816 9.266 1.00 0.00 ATOM 439 O MET 63 -13.498 10.316 6.051 1.00 0.00 ATOM 440 C MET 63 -13.143 9.804 7.112 1.00 0.00 ATOM 441 N ARG 64 -13.955 9.173 7.945 1.00 0.00 ATOM 442 CA ARG 64 -15.378 9.003 7.662 1.00 0.00 ATOM 443 CB ARG 64 -16.058 10.363 7.496 1.00 0.00 ATOM 444 CG ARG 64 -15.932 11.272 8.707 1.00 0.00 ATOM 445 CD ARG 64 -16.550 12.636 8.442 1.00 0.00 ATOM 446 NE ARG 64 -16.268 13.583 9.517 1.00 0.00 ATOM 447 CZ ARG 64 -16.695 14.842 9.535 1.00 0.00 ATOM 448 NH1 ARG 64 -16.390 15.632 10.556 1.00 0.00 ATOM 449 NH2 ARG 64 -17.425 15.308 8.532 1.00 0.00 ATOM 450 O ARG 64 -16.726 8.321 5.758 1.00 0.00 ATOM 451 C ARG 64 -15.675 8.225 6.407 1.00 0.00 ATOM 452 N LYS 65 -14.726 7.395 5.975 1.00 0.00 ATOM 453 CA LYS 65 -15.016 6.529 4.840 1.00 0.00 ATOM 454 CB LYS 65 -13.797 6.429 3.919 1.00 0.00 ATOM 455 CG LYS 65 -14.029 5.590 2.673 1.00 0.00 ATOM 456 CD LYS 65 -12.775 5.512 1.819 1.00 0.00 ATOM 457 CE LYS 65 -13.001 4.658 0.583 1.00 0.00 ATOM 458 NZ LYS 65 -11.786 4.592 -0.276 1.00 0.00 ATOM 459 O LYS 65 -14.619 4.714 6.288 1.00 0.00 ATOM 460 C LYS 65 -15.366 5.155 5.407 1.00 0.00 ATOM 461 N TYR 66 -16.445 4.593 4.881 1.00 0.00 ATOM 462 CA TYR 66 -16.930 3.321 5.385 1.00 0.00 ATOM 463 CB TYR 66 -18.255 2.949 4.715 1.00 0.00 ATOM 464 CG TYR 66 -18.825 1.628 5.179 1.00 0.00 ATOM 465 CD1 TYR 66 -19.428 1.510 6.424 1.00 0.00 ATOM 466 CD2 TYR 66 -18.760 0.502 4.367 1.00 0.00 ATOM 467 CE1 TYR 66 -19.951 0.307 6.856 1.00 0.00 ATOM 468 CE2 TYR 66 -19.278 -0.710 4.782 1.00 0.00 ATOM 469 CZ TYR 66 -19.878 -0.801 6.038 1.00 0.00 ATOM 470 OH TYR 66 -20.398 -2.001 6.465 1.00 0.00 ATOM 471 O TYR 66 -15.519 2.031 3.957 1.00 0.00 ATOM 472 C TYR 66 -15.931 2.195 5.109 1.00 0.00 ATOM 473 N GLY 67 -15.650 1.481 6.181 1.00 0.00 ATOM 474 CA GLY 67 -14.924 0.233 6.226 1.00 0.00 ATOM 475 O GLY 67 -12.771 -0.600 5.701 1.00 0.00 ATOM 476 C GLY 67 -13.429 0.407 5.961 1.00 0.00 ATOM 477 N PHE 68 -12.935 1.646 6.034 1.00 0.00 ATOM 478 CA PHE 68 -11.518 1.901 5.736 1.00 0.00 ATOM 479 CB PHE 68 -11.384 2.834 4.530 1.00 0.00 ATOM 480 CG PHE 68 -11.908 2.250 3.250 1.00 0.00 ATOM 481 CD1 PHE 68 -13.220 2.460 2.863 1.00 0.00 ATOM 482 CD2 PHE 68 -11.090 1.490 2.433 1.00 0.00 ATOM 483 CE1 PHE 68 -13.702 1.923 1.684 1.00 0.00 ATOM 484 CE2 PHE 68 -11.572 0.952 1.255 1.00 0.00 ATOM 485 CZ PHE 68 -12.872 1.167 0.879 1.00 0.00 ATOM 486 O PHE 68 -11.287 3.560 7.484 1.00 0.00 ATOM 487 C PHE 68 -10.837 2.554 6.937 1.00 0.00 ATOM 488 N GLU 69 -9.714 1.971 7.353 1.00 0.00 ATOM 489 CA GLU 69 -8.999 2.475 8.525 1.00 0.00 ATOM 490 CB GLU 69 -9.181 1.527 9.712 1.00 0.00 ATOM 491 CG GLU 69 -8.705 2.096 11.039 1.00 0.00 ATOM 492 CD GLU 69 -8.878 1.121 12.187 1.00 0.00 ATOM 493 OE1 GLU 69 -10.012 0.636 12.388 1.00 0.00 ATOM 494 OE2 GLU 69 -7.881 0.843 12.885 1.00 0.00 ATOM 495 O GLU 69 -7.120 2.227 7.087 1.00 0.00 ATOM 496 C GLU 69 -7.521 2.588 8.210 1.00 0.00 ATOM 497 N PRO 70 -6.712 3.071 9.153 1.00 0.00 ATOM 498 CA PRO 70 -5.272 3.107 8.980 1.00 0.00 ATOM 499 CB PRO 70 -4.942 4.601 8.923 1.00 0.00 ATOM 500 CG PRO 70 -6.029 5.253 9.709 1.00 0.00 ATOM 501 CD PRO 70 -7.270 4.444 9.455 1.00 0.00 ATOM 502 O PRO 70 -4.926 2.719 11.339 1.00 0.00 ATOM 503 C PRO 70 -4.624 2.406 10.182 1.00 0.00 ATOM 504 N GLU 71 -3.764 1.438 9.906 1.00 0.00 ATOM 505 CA GLU 71 -2.928 0.795 10.916 1.00 0.00 ATOM 506 CB GLU 71 -2.806 -0.704 10.635 1.00 0.00 ATOM 507 CG GLU 71 -1.993 -1.466 11.670 1.00 0.00 ATOM 508 CD GLU 71 -2.610 -1.404 13.054 1.00 0.00 ATOM 509 OE1 GLU 71 -3.778 -1.820 13.201 1.00 0.00 ATOM 510 OE2 GLU 71 -1.927 -0.940 13.990 1.00 0.00 ATOM 511 O GLU 71 -0.770 1.153 9.964 1.00 0.00 ATOM 512 C GLU 71 -1.533 1.395 10.919 1.00 0.00 ATOM 513 N ILE 72 -1.120 2.159 11.934 1.00 0.00 ATOM 514 CA ILE 72 0.193 2.806 11.884 1.00 0.00 ATOM 515 CB ILE 72 0.210 4.112 12.700 1.00 0.00 ATOM 516 CG1 ILE 72 -0.009 3.815 14.185 1.00 0.00 ATOM 517 CG2 ILE 72 -0.891 5.049 12.228 1.00 0.00 ATOM 518 CD1 ILE 72 0.201 5.014 15.084 1.00 0.00 ATOM 519 O ILE 72 2.521 2.433 12.354 1.00 0.00 ATOM 520 C ILE 72 1.363 1.994 12.423 1.00 0.00 ATOM 521 N VAL 73 1.070 0.806 12.933 1.00 0.00 ATOM 522 CA VAL 73 1.986 -0.019 13.691 1.00 0.00 ATOM 523 CB VAL 73 1.421 -1.436 13.907 1.00 0.00 ATOM 524 CG1 VAL 73 2.478 -2.342 14.519 1.00 0.00 ATOM 525 CG2 VAL 73 0.223 -1.396 14.841 1.00 0.00 ATOM 526 O VAL 73 4.324 -0.336 13.781 1.00 0.00 ATOM 527 C VAL 73 3.344 -0.207 13.034 1.00 0.00 ATOM 528 N LYS 74 3.517 -0.229 11.707 1.00 0.00 ATOM 529 CA LYS 74 4.877 -0.311 11.183 1.00 0.00 ATOM 530 CB LYS 74 4.855 -0.581 9.677 1.00 0.00 ATOM 531 CG LYS 74 4.308 -1.948 9.298 1.00 0.00 ATOM 532 CD LYS 74 4.384 -2.176 7.797 1.00 0.00 ATOM 533 CE LYS 74 3.817 -3.535 7.417 1.00 0.00 ATOM 534 NZ LYS 74 3.857 -3.761 5.946 1.00 0.00 ATOM 535 O LYS 74 6.910 0.944 11.464 1.00 0.00 ATOM 536 C LYS 74 5.675 0.969 11.400 1.00 0.00 ATOM 540 N ASN 77 9.484 -6.458 9.346 1.00 0.00 ATOM 541 CA ASN 77 9.028 -7.491 8.415 1.00 0.00 ATOM 542 CB ASN 77 9.664 -8.840 8.757 1.00 0.00 ATOM 543 CG ASN 77 11.145 -8.884 8.439 1.00 0.00 ATOM 544 ND2 ASN 77 11.857 -9.810 9.069 1.00 0.00 ATOM 545 OD1 ASN 77 11.640 -8.092 7.636 1.00 0.00 ATOM 546 O ASN 77 6.795 -7.580 9.417 1.00 0.00 ATOM 547 C ASN 77 7.533 -7.692 8.433 1.00 0.00 ATOM 548 N PRO 78 7.022 -8.003 7.228 1.00 0.00 ATOM 549 CA PRO 78 5.573 -8.168 7.103 1.00 0.00 ATOM 550 CB PRO 78 5.364 -8.501 5.624 1.00 0.00 ATOM 551 CG PRO 78 6.530 -7.880 4.934 1.00 0.00 ATOM 552 CD PRO 78 7.702 -8.049 5.860 1.00 0.00 ATOM 553 O PRO 78 4.021 -9.307 8.567 1.00 0.00 ATOM 554 C PRO 78 5.098 -9.285 8.003 1.00 0.00 ATOM 555 N TYR 79 5.983 -10.292 8.190 1.00 0.00 ATOM 556 CA TYR 79 5.589 -11.411 9.029 1.00 0.00 ATOM 557 CB TYR 79 6.644 -12.517 8.976 1.00 0.00 ATOM 558 CG TYR 79 6.278 -13.752 9.769 1.00 0.00 ATOM 559 CD1 TYR 79 5.327 -14.646 9.293 1.00 0.00 ATOM 560 CD2 TYR 79 6.885 -14.018 10.989 1.00 0.00 ATOM 561 CE1 TYR 79 4.986 -15.777 10.011 1.00 0.00 ATOM 562 CE2 TYR 79 6.556 -15.145 11.721 1.00 0.00 ATOM 563 CZ TYR 79 5.598 -16.025 11.221 1.00 0.00 ATOM 564 OH TYR 79 5.261 -17.150 11.938 1.00 0.00 ATOM 565 O TYR 79 4.554 -11.560 11.158 1.00 0.00 ATOM 566 C TYR 79 5.424 -10.998 10.484 1.00 0.00 ATOM 567 N GLY 80 6.244 -10.055 10.944 1.00 0.00 ATOM 568 CA GLY 80 6.103 -9.409 12.239 1.00 0.00 ATOM 569 O GLY 80 4.088 -8.676 13.353 1.00 0.00 ATOM 570 C GLY 80 4.786 -8.645 12.342 1.00 0.00 ATOM 571 N LYS 81 4.456 -7.936 11.248 1.00 0.00 ATOM 572 CA LYS 81 3.179 -7.218 11.221 1.00 0.00 ATOM 573 CB LYS 81 3.066 -6.372 9.951 1.00 0.00 ATOM 574 CG LYS 81 1.787 -5.556 9.861 1.00 0.00 ATOM 575 CD LYS 81 1.730 -4.496 10.947 1.00 0.00 ATOM 576 CE LYS 81 0.511 -3.602 10.783 1.00 0.00 ATOM 577 NZ LYS 81 0.429 -2.572 11.855 1.00 0.00 ATOM 578 O LYS 81 1.115 -8.117 12.029 1.00 0.00 ATOM 579 C LYS 81 2.045 -8.228 11.251 1.00 0.00 ATOM 580 N THR 82 2.142 -9.263 10.407 1.00 0.00 ATOM 581 CA THR 82 1.123 -10.306 10.489 1.00 0.00 ATOM 582 CB THR 82 1.430 -11.472 9.530 1.00 0.00 ATOM 583 CG2 THR 82 0.377 -12.562 9.662 1.00 0.00 ATOM 584 OG1 THR 82 1.436 -10.995 8.180 1.00 0.00 ATOM 585 O THR 82 -0.158 -11.119 12.314 1.00 0.00 ATOM 586 C THR 82 0.980 -10.925 11.870 1.00 0.00 ATOM 587 N LEU 83 2.099 -11.240 12.527 1.00 0.00 ATOM 588 CA LEU 83 2.029 -11.872 13.853 1.00 0.00 ATOM 589 CB LEU 83 3.431 -12.213 14.358 1.00 0.00 ATOM 590 CG LEU 83 3.515 -12.864 15.740 1.00 0.00 ATOM 591 CD1 LEU 83 2.786 -14.199 15.751 1.00 0.00 ATOM 592 CD2 LEU 83 4.963 -13.110 16.133 1.00 0.00 ATOM 593 O LEU 83 0.472 -11.360 15.567 1.00 0.00 ATOM 594 C LEU 83 1.369 -10.919 14.841 1.00 0.00 ATOM 595 N ASP 84 1.788 -9.660 14.836 1.00 0.00 ATOM 596 CA ASP 84 1.199 -8.630 15.689 1.00 0.00 ATOM 597 CB ASP 84 1.906 -7.290 15.475 1.00 0.00 ATOM 598 CG ASP 84 3.298 -7.262 16.074 1.00 0.00 ATOM 599 OD1 ASP 84 3.627 -8.181 16.853 1.00 0.00 ATOM 600 OD2 ASP 84 4.060 -6.323 15.763 1.00 0.00 ATOM 601 O ASP 84 -1.081 -8.354 16.389 1.00 0.00 ATOM 602 C ASP 84 -0.274 -8.373 15.449 1.00 0.00 ATOM 603 N VAL 85 -0.714 -8.153 14.203 1.00 0.00 ATOM 604 CA VAL 85 -2.161 -8.081 14.002 1.00 0.00 ATOM 605 CB VAL 85 -2.516 -7.929 12.511 1.00 0.00 ATOM 606 CG1 VAL 85 -4.025 -7.937 12.321 1.00 0.00 ATOM 607 CG2 VAL 85 -1.970 -6.618 11.964 1.00 0.00 ATOM 608 O VAL 85 -3.976 -9.184 15.099 1.00 0.00 ATOM 609 C VAL 85 -2.901 -9.321 14.499 1.00 0.00 ATOM 613 N TYR 89 -6.895 -10.844 5.177 1.00 0.00 ATOM 614 CA TYR 89 -6.646 -10.765 3.759 1.00 0.00 ATOM 615 CB TYR 89 -7.931 -10.409 3.008 1.00 0.00 ATOM 616 CG TYR 89 -8.968 -11.510 3.009 1.00 0.00 ATOM 617 CD1 TYR 89 -10.053 -11.466 3.875 1.00 0.00 ATOM 618 CD2 TYR 89 -8.856 -12.592 2.145 1.00 0.00 ATOM 619 CE1 TYR 89 -11.005 -12.468 3.882 1.00 0.00 ATOM 620 CE2 TYR 89 -9.797 -13.604 2.139 1.00 0.00 ATOM 621 CZ TYR 89 -10.878 -13.533 3.018 1.00 0.00 ATOM 622 OH TYR 89 -11.823 -14.533 3.023 1.00 0.00 ATOM 623 O TYR 89 -5.745 -8.539 3.977 1.00 0.00 ATOM 624 C TYR 89 -5.594 -9.680 3.542 1.00 0.00 ATOM 625 N LEU 90 -4.520 -10.084 2.879 1.00 0.00 ATOM 626 CA LEU 90 -3.430 -9.111 2.707 1.00 0.00 ATOM 627 CB LEU 90 -2.119 -9.669 3.262 1.00 0.00 ATOM 628 CG LEU 90 -0.884 -8.778 3.113 1.00 0.00 ATOM 629 CD1 LEU 90 -1.071 -7.469 3.864 1.00 0.00 ATOM 630 CD2 LEU 90 0.351 -9.473 3.665 1.00 0.00 ATOM 631 O LEU 90 -2.977 -9.729 0.417 1.00 0.00 ATOM 632 C LEU 90 -3.294 -8.846 1.212 1.00 0.00 ATOM 633 N VAL 91 -3.603 -7.595 0.841 1.00 0.00 ATOM 634 CA VAL 91 -3.614 -7.196 -0.563 1.00 0.00 ATOM 635 CB VAL 91 -4.463 -5.930 -0.782 1.00 0.00 ATOM 636 CG1 VAL 91 -4.387 -5.482 -2.235 1.00 0.00 ATOM 637 CG2 VAL 91 -5.920 -6.198 -0.439 1.00 0.00 ATOM 638 O VAL 91 -1.469 -6.131 -0.396 1.00 0.00 ATOM 639 C VAL 91 -2.194 -6.906 -1.027 1.00 0.00 ATOM 640 N VAL 92 -1.822 -7.545 -2.111 1.00 0.00 ATOM 641 CA VAL 92 -0.497 -7.609 -2.701 1.00 0.00 ATOM 642 CB VAL 92 0.119 -9.013 -2.557 1.00 0.00 ATOM 643 CG1 VAL 92 1.483 -9.068 -3.226 1.00 0.00 ATOM 644 CG2 VAL 92 0.287 -9.372 -1.089 1.00 0.00 ATOM 645 O VAL 92 -1.569 -7.684 -4.849 1.00 0.00 ATOM 646 C VAL 92 -0.613 -7.266 -4.183 1.00 0.00 ATOM 647 N SER 93 0.315 -6.493 -4.749 1.00 0.00 ATOM 648 CA SER 93 0.226 -6.226 -6.194 1.00 0.00 ATOM 649 CB SER 93 0.895 -4.893 -6.535 1.00 0.00 ATOM 650 OG SER 93 2.289 -4.944 -6.288 1.00 0.00 ATOM 651 O SER 93 1.817 -8.006 -6.304 1.00 0.00 ATOM 652 C SER 93 0.941 -7.372 -6.906 1.00 0.00 ATOM 653 N PRO 94 0.612 -7.694 -8.150 1.00 0.00 ATOM 654 CA PRO 94 1.315 -8.801 -8.811 1.00 0.00 ATOM 655 CB PRO 94 0.767 -8.788 -10.239 1.00 0.00 ATOM 656 CG PRO 94 -0.615 -8.241 -10.103 1.00 0.00 ATOM 657 CD PRO 94 -0.530 -7.145 -9.077 1.00 0.00 ATOM 658 O PRO 94 3.610 -9.567 -8.540 1.00 0.00 ATOM 659 C PRO 94 2.829 -8.646 -8.829 1.00 0.00 ATOM 660 N GLU 95 3.316 -7.456 -9.176 1.00 0.00 ATOM 661 CA GLU 95 4.773 -7.281 -9.243 1.00 0.00 ATOM 662 CB GLU 95 5.122 -5.862 -9.694 1.00 0.00 ATOM 663 CG GLU 95 4.806 -5.579 -11.153 1.00 0.00 ATOM 664 CD GLU 95 5.049 -4.130 -11.532 1.00 0.00 ATOM 665 OE1 GLU 95 5.394 -3.333 -10.636 1.00 0.00 ATOM 666 OE2 GLU 95 4.894 -3.794 -12.724 1.00 0.00 ATOM 667 O GLU 95 6.472 -8.090 -7.746 1.00 0.00 ATOM 668 C GLU 95 5.388 -7.522 -7.881 1.00 0.00 ATOM 669 N THR 96 4.687 -7.140 -6.807 1.00 0.00 ATOM 670 CA THR 96 5.274 -7.458 -5.504 1.00 0.00 ATOM 671 CB THR 96 4.515 -6.763 -4.358 1.00 0.00 ATOM 672 CG2 THR 96 5.119 -7.140 -3.014 1.00 0.00 ATOM 673 OG1 THR 96 4.598 -5.342 -4.520 1.00 0.00 ATOM 674 O THR 96 6.175 -9.550 -4.773 1.00 0.00 ATOM 675 C THR 96 5.218 -8.954 -5.274 1.00 0.00 ATOM 676 N TYR 97 4.083 -9.575 -5.618 1.00 0.00 ATOM 677 CA TYR 97 3.996 -11.008 -5.280 1.00 0.00 ATOM 678 CB TYR 97 2.638 -11.576 -5.698 1.00 0.00 ATOM 679 CG TYR 97 2.451 -13.035 -5.350 1.00 0.00 ATOM 680 CD1 TYR 97 2.193 -13.426 -4.042 1.00 0.00 ATOM 681 CD2 TYR 97 2.532 -14.016 -6.330 1.00 0.00 ATOM 682 CE1 TYR 97 2.019 -14.758 -3.714 1.00 0.00 ATOM 683 CE2 TYR 97 2.362 -15.352 -6.020 1.00 0.00 ATOM 684 CZ TYR 97 2.104 -15.718 -4.700 1.00 0.00 ATOM 685 OH TYR 97 1.931 -17.045 -4.376 1.00 0.00 ATOM 686 O TYR 97 5.579 -12.802 -5.464 1.00 0.00 ATOM 687 C TYR 97 5.077 -11.811 -5.985 1.00 0.00 ATOM 688 N GLU 98 5.505 -11.413 -7.173 1.00 0.00 ATOM 689 CA GLU 98 6.534 -12.192 -7.865 1.00 0.00 ATOM 690 CB GLU 98 6.741 -11.664 -9.286 1.00 0.00 ATOM 691 CG GLU 98 5.562 -11.903 -10.214 1.00 0.00 ATOM 692 CD GLU 98 5.728 -11.216 -11.556 1.00 0.00 ATOM 693 OE1 GLU 98 6.731 -10.491 -11.731 1.00 0.00 ATOM 694 OE2 GLU 98 4.858 -11.402 -12.431 1.00 0.00 ATOM 695 O GLU 98 8.845 -12.805 -7.643 1.00 0.00 ATOM 696 C GLU 98 7.889 -12.160 -7.190 1.00 0.00 ATOM 697 N MET 99 8.039 -11.429 -6.083 1.00 0.00 ATOM 698 CA MET 99 9.317 -11.458 -5.381 1.00 0.00 ATOM 699 CB MET 99 9.939 -10.060 -5.340 1.00 0.00 ATOM 700 CG MET 99 10.291 -9.498 -6.709 1.00 0.00 ATOM 701 SD MET 99 11.030 -7.857 -6.616 1.00 0.00 ATOM 702 CE MET 99 12.637 -8.246 -5.929 1.00 0.00 ATOM 703 O MET 99 9.937 -11.781 -3.081 1.00 0.00 ATOM 704 C MET 99 9.116 -11.940 -3.961 1.00 0.00 ATOM 705 N ALA 100 7.956 -12.563 -3.724 1.00 0.00 ATOM 706 CA ALA 100 7.623 -13.044 -2.386 1.00 0.00 ATOM 707 CB ALA 100 6.324 -13.835 -2.415 1.00 0.00 ATOM 708 O ALA 100 8.983 -13.877 -0.594 1.00 0.00 ATOM 709 C ALA 100 8.687 -13.952 -1.803 1.00 0.00 ATOM 710 N LEU 101 9.345 -14.847 -2.530 1.00 0.00 ATOM 711 CA LEU 101 10.330 -15.673 -1.807 1.00 0.00 ATOM 712 CB LEU 101 10.753 -16.871 -2.660 1.00 0.00 ATOM 713 CG LEU 101 9.662 -17.895 -2.978 1.00 0.00 ATOM 714 CD1 LEU 101 10.187 -18.965 -3.923 1.00 0.00 ATOM 715 CD2 LEU 101 9.177 -18.577 -1.708 1.00 0.00 ATOM 716 O LEU 101 12.499 -15.445 -0.841 1.00 0.00 ATOM 717 C LEU 101 11.591 -14.883 -1.459 1.00 0.00 ATOM 718 N LYS 102 11.658 -13.603 -1.811 1.00 0.00 ATOM 719 CA LYS 102 12.725 -12.735 -1.326 1.00 0.00 ATOM 720 CB LYS 102 13.119 -11.720 -2.399 1.00 0.00 ATOM 721 CG LYS 102 13.716 -12.339 -3.652 1.00 0.00 ATOM 722 CD LYS 102 14.186 -11.271 -4.627 1.00 0.00 ATOM 723 CE LYS 102 14.743 -11.890 -5.898 1.00 0.00 ATOM 724 NZ LYS 102 15.231 -10.856 -6.852 1.00 0.00 ATOM 725 O LYS 102 13.023 -11.062 0.391 1.00 0.00 ATOM 726 C LYS 102 12.309 -11.956 -0.083 1.00 0.00 ATOM 727 N ILE 103 11.146 -12.280 0.469 1.00 0.00 ATOM 728 CA ILE 103 10.747 -11.705 1.741 1.00 0.00 ATOM 729 CB ILE 103 9.225 -11.484 1.810 1.00 0.00 ATOM 730 CG1 ILE 103 8.788 -10.448 0.772 1.00 0.00 ATOM 731 CG2 ILE 103 8.820 -10.985 3.187 1.00 0.00 ATOM 732 CD1 ILE 103 7.289 -10.370 0.580 1.00 0.00 ATOM 733 O ILE 103 11.341 -13.803 2.734 1.00 0.00 ATOM 734 C ILE 103 11.127 -12.606 2.923 1.00 0.00 ATOM 735 N ASN 104 11.155 -12.006 4.105 1.00 0.00 ATOM 736 CA ASN 104 11.566 -12.650 5.350 1.00 0.00 ATOM 737 CB ASN 104 11.846 -11.601 6.428 1.00 0.00 ATOM 738 CG ASN 104 12.408 -12.207 7.700 1.00 0.00 ATOM 739 ND2 ASN 104 13.685 -11.956 7.959 1.00 0.00 ATOM 740 OD1 ASN 104 11.700 -12.892 8.437 1.00 0.00 ATOM 741 O ASN 104 9.333 -13.231 6.026 1.00 0.00 ATOM 742 C ASN 104 10.501 -13.593 5.897 1.00 0.00 ATOM 743 N GLN 105 10.952 -14.798 6.209 1.00 0.00 ATOM 744 CA GLN 105 10.175 -15.961 6.590 1.00 0.00 ATOM 745 CB GLN 105 9.696 -15.836 8.038 1.00 0.00 ATOM 746 CG GLN 105 10.811 -15.911 9.069 1.00 0.00 ATOM 747 CD GLN 105 10.310 -15.703 10.484 1.00 0.00 ATOM 748 OE1 GLN 105 9.104 -15.683 10.730 1.00 0.00 ATOM 749 NE2 GLN 105 11.239 -15.547 11.423 1.00 0.00 ATOM 750 O GLN 105 7.862 -16.472 6.191 1.00 0.00 ATOM 751 C GLN 105 8.943 -16.128 5.701 1.00 0.00 ATOM 752 N LYS 106 9.094 -15.911 4.401 1.00 0.00 ATOM 753 CA LYS 106 7.924 -15.823 3.523 1.00 0.00 ATOM 754 CB LYS 106 8.360 -15.674 2.064 1.00 0.00 ATOM 755 CG LYS 106 9.097 -16.883 1.509 1.00 0.00 ATOM 756 CD LYS 106 9.466 -16.683 0.049 1.00 0.00 ATOM 757 CE LYS 106 10.125 -17.925 -0.529 1.00 0.00 ATOM 758 NZ LYS 106 11.491 -18.139 0.027 1.00 0.00 ATOM 759 O LYS 106 5.871 -16.959 3.064 1.00 0.00 ATOM 760 C LYS 106 7.003 -17.030 3.568 1.00 0.00 ATOM 761 N ARG 107 7.386 -18.158 4.155 1.00 0.00 ATOM 762 CA ARG 107 6.504 -19.322 4.127 1.00 0.00 ATOM 763 CB ARG 107 7.323 -20.615 4.143 1.00 0.00 ATOM 764 CG ARG 107 8.175 -20.825 2.902 1.00 0.00 ATOM 765 CD ARG 107 8.983 -22.109 2.999 1.00 0.00 ATOM 766 NE ARG 107 9.837 -22.306 1.830 1.00 0.00 ATOM 767 CZ ARG 107 10.766 -23.254 1.735 1.00 0.00 ATOM 768 NH1 ARG 107 11.496 -23.357 0.633 1.00 0.00 ATOM 769 NH2 ARG 107 10.960 -24.095 2.741 1.00 0.00 ATOM 770 O ARG 107 4.591 -20.173 5.270 1.00 0.00 ATOM 771 C ARG 107 5.549 -19.393 5.309 1.00 0.00 ATOM 772 N GLU 108 5.724 -18.606 6.360 1.00 0.00 ATOM 773 CA GLU 108 4.785 -18.497 7.458 1.00 0.00 ATOM 774 CB GLU 108 5.523 -18.228 8.771 1.00 0.00 ATOM 775 CG GLU 108 6.396 -19.382 9.238 1.00 0.00 ATOM 776 CD GLU 108 7.150 -19.061 10.514 1.00 0.00 ATOM 777 OE1 GLU 108 7.008 -17.927 11.019 1.00 0.00 ATOM 778 OE2 GLU 108 7.882 -19.943 11.010 1.00 0.00 ATOM 779 O GLU 108 2.971 -17.084 8.114 1.00 0.00 ATOM 780 C GLU 108 3.794 -17.349 7.224 1.00 0.00 ATOM 781 N GLU 109 3.886 -16.681 6.081 1.00 0.00 ATOM 782 CA GLU 109 2.937 -15.588 5.818 1.00 0.00 ATOM 783 CB GLU 109 3.217 -14.950 4.456 1.00 0.00 ATOM 784 CG GLU 109 2.309 -13.778 4.122 1.00 0.00 ATOM 785 CD GLU 109 2.640 -13.151 2.780 1.00 0.00 ATOM 786 OE1 GLU 109 3.588 -13.625 2.120 1.00 0.00 ATOM 787 OE2 GLU 109 1.950 -12.184 2.391 1.00 0.00 ATOM 788 O GLU 109 0.624 -15.684 6.555 1.00 0.00 ATOM 789 C GLU 109 1.515 -16.132 5.822 1.00 0.00 ATOM 790 N LEU 110 1.303 -17.140 4.989 1.00 0.00 ATOM 791 CA LEU 110 -0.018 -17.769 4.840 1.00 0.00 ATOM 792 CB LEU 110 0.023 -18.854 3.762 1.00 0.00 ATOM 793 CG LEU 110 0.258 -18.377 2.327 1.00 0.00 ATOM 794 CD1 LEU 110 0.398 -19.560 1.383 1.00 0.00 ATOM 795 CD2 LEU 110 -0.906 -17.522 1.849 1.00 0.00 ATOM 796 O LEU 110 -1.704 -18.744 6.287 1.00 0.00 ATOM 797 C LEU 110 -0.528 -18.428 6.098 1.00 0.00 ATOM 798 N GLY 111 0.364 -18.633 7.076 1.00 0.00 ATOM 799 CA GLY 111 -0.070 -19.126 8.363 1.00 0.00 ATOM 800 O GLY 111 -1.892 -18.607 9.887 1.00 0.00 ATOM 801 C GLY 111 -1.111 -18.225 9.018 1.00 0.00 ATOM 802 N LYS 112 -1.077 -16.945 8.642 1.00 0.00 ATOM 803 CA LYS 112 -1.813 -15.963 9.427 1.00 0.00 ATOM 804 CB LYS 112 -0.860 -14.914 10.001 1.00 0.00 ATOM 805 CG LYS 112 0.236 -15.488 10.882 1.00 0.00 ATOM 806 CD LYS 112 -0.340 -16.151 12.122 1.00 0.00 ATOM 807 CE LYS 112 0.759 -16.642 13.050 1.00 0.00 ATOM 808 NZ LYS 112 0.209 -17.367 14.228 1.00 0.00 ATOM 809 O LYS 112 -3.708 -14.523 9.126 1.00 0.00 ATOM 810 C LYS 112 -2.856 -15.227 8.602 1.00 0.00 ATOM 811 N ARG 113 -2.765 -15.400 7.286 1.00 0.00 ATOM 812 CA ARG 113 -3.721 -14.701 6.445 1.00 0.00 ATOM 813 CB ARG 113 -3.235 -13.282 6.146 1.00 0.00 ATOM 814 CG ARG 113 -3.053 -12.414 7.380 1.00 0.00 ATOM 815 CD ARG 113 -4.394 -12.040 7.992 1.00 0.00 ATOM 816 NE ARG 113 -4.247 -11.090 9.093 1.00 0.00 ATOM 817 CZ ARG 113 -4.088 -11.441 10.365 1.00 0.00 ATOM 818 NH1 ARG 113 -3.963 -10.507 11.299 1.00 0.00 ATOM 819 NH2 ARG 113 -4.056 -12.722 10.701 1.00 0.00 ATOM 820 O ARG 113 -3.202 -16.471 4.891 1.00 0.00 ATOM 821 C ARG 113 -3.871 -15.472 5.142 1.00 0.00 ATOM 822 N LYS 114 -4.791 -14.930 4.364 1.00 0.00 ATOM 823 CA LYS 114 -4.893 -15.236 2.966 1.00 0.00 ATOM 824 CB LYS 114 -6.361 -15.356 2.548 1.00 0.00 ATOM 825 CG LYS 114 -7.101 -16.510 3.204 1.00 0.00 ATOM 826 CD LYS 114 -8.559 -16.546 2.775 1.00 0.00 ATOM 827 CE LYS 114 -9.295 -17.708 3.419 1.00 0.00 ATOM 828 NZ LYS 114 -10.715 -17.781 2.976 1.00 0.00 ATOM 829 O LYS 114 -4.272 -12.942 2.679 1.00 0.00 ATOM 830 C LYS 114 -4.217 -14.086 2.214 1.00 0.00 ATOM 831 N ILE 115 -3.606 -14.390 1.080 1.00 0.00 ATOM 832 CA ILE 115 -3.011 -13.346 0.255 1.00 0.00 ATOM 833 CB ILE 115 -1.611 -13.749 -0.245 1.00 0.00 ATOM 834 CG1 ILE 115 -0.666 -13.967 0.939 1.00 0.00 ATOM 835 CG2 ILE 115 -1.028 -12.662 -1.134 1.00 0.00 ATOM 836 CD1 ILE 115 0.656 -14.596 0.557 1.00 0.00 ATOM 837 O ILE 115 -4.262 -14.020 -1.652 1.00 0.00 ATOM 838 C ILE 115 -3.882 -13.071 -0.963 1.00 0.00 ATOM 839 N THR 116 -4.211 -11.805 -1.207 1.00 0.00 ATOM 840 CA THR 116 -4.949 -11.466 -2.416 1.00 0.00 ATOM 841 CB THR 116 -6.200 -10.627 -2.097 1.00 0.00 ATOM 842 CG2 THR 116 -7.159 -11.415 -1.218 1.00 0.00 ATOM 843 OG1 THR 116 -5.815 -9.432 -1.409 1.00 0.00 ATOM 844 O THR 116 -3.684 -9.530 -3.023 1.00 0.00 ATOM 845 C THR 116 -4.041 -10.656 -3.350 1.00 0.00 ATOM 849 N LYS 119 -4.138 -8.277 -9.887 1.00 0.00 ATOM 850 CA LYS 119 -3.858 -8.413 -11.313 1.00 0.00 ATOM 851 CB LYS 119 -4.627 -9.598 -11.899 1.00 0.00 ATOM 852 CG LYS 119 -4.333 -9.864 -13.367 1.00 0.00 ATOM 853 CD LYS 119 -5.078 -11.092 -13.865 1.00 0.00 ATOM 854 CE LYS 119 -4.764 -11.373 -15.326 1.00 0.00 ATOM 855 NZ LYS 119 -5.507 -12.558 -15.835 1.00 0.00 ATOM 856 O LYS 119 -5.275 -6.504 -11.652 1.00 0.00 ATOM 857 C LYS 119 -4.283 -7.141 -12.030 1.00 0.00 ATOM 858 N VAL 120 -3.542 -6.711 -13.059 1.00 0.00 ATOM 859 CA VAL 120 -3.891 -5.430 -13.677 1.00 0.00 ATOM 860 CB VAL 120 -3.209 -4.252 -12.958 1.00 0.00 ATOM 861 CG1 VAL 120 -3.691 -4.154 -11.519 1.00 0.00 ATOM 862 CG2 VAL 120 -1.699 -4.437 -12.947 1.00 0.00 ATOM 863 O VAL 120 -2.678 -6.236 -15.592 1.00 0.00 ATOM 864 C VAL 120 -3.457 -5.401 -15.133 1.00 0.00 ATOM 865 N ASP 121 -3.960 -4.437 -15.888 1.00 0.00 ATOM 866 CA ASP 121 -3.406 -4.233 -17.234 1.00 0.00 ATOM 867 CB ASP 121 -4.303 -3.295 -18.046 1.00 0.00 ATOM 868 CG ASP 121 -3.822 -3.122 -19.473 1.00 0.00 ATOM 869 OD1 ASP 121 -2.723 -3.619 -19.795 1.00 0.00 ATOM 870 OD2 ASP 121 -4.545 -2.488 -20.270 1.00 0.00 ATOM 871 O ASP 121 -1.963 -2.450 -16.687 1.00 0.00 ATOM 872 C ASP 121 -2.012 -3.616 -17.082 1.00 0.00 ATOM 873 N TRP 122 -0.983 -4.382 -17.375 1.00 0.00 ATOM 874 CA TRP 122 0.432 -4.112 -17.226 1.00 0.00 ATOM 875 CB TRP 122 0.654 -2.912 -16.305 1.00 0.00 ATOM 876 CG TRP 122 2.095 -2.531 -16.150 1.00 0.00 ATOM 877 CD1 TRP 122 2.893 -2.764 -15.070 1.00 0.00 ATOM 878 CD2 TRP 122 2.909 -1.850 -17.113 1.00 0.00 ATOM 879 CE2 TRP 122 4.192 -1.704 -16.546 1.00 0.00 ATOM 880 CE3 TRP 122 2.681 -1.350 -18.399 1.00 0.00 ATOM 881 NE1 TRP 122 4.157 -2.270 -15.295 1.00 0.00 ATOM 882 CZ2 TRP 122 5.240 -1.079 -17.219 1.00 0.00 ATOM 883 CZ3 TRP 122 3.724 -0.731 -19.062 1.00 0.00 ATOM 884 CH2 TRP 122 4.987 -0.599 -18.475 1.00 0.00 ATOM 885 O TRP 122 1.576 -6.222 -17.352 1.00 0.00 ATOM 886 C TRP 122 1.113 -5.353 -16.618 1.00 0.00 ATOM 887 N MET 123 1.137 -5.367 -15.291 1.00 0.00 ATOM 888 CA MET 123 1.752 -6.427 -14.509 1.00 0.00 ATOM 889 CB MET 123 1.305 -6.342 -13.048 1.00 0.00 ATOM 890 CG MET 123 1.822 -5.119 -12.310 1.00 0.00 ATOM 891 SD MET 123 1.250 -5.042 -10.602 1.00 0.00 ATOM 892 CE MET 123 1.950 -3.477 -10.080 1.00 0.00 ATOM 893 O MET 123 0.188 -8.166 -14.950 1.00 0.00 ATOM 894 C MET 123 1.355 -7.798 -15.056 1.00 0.00 ATOM 895 N MET 124 2.338 -8.484 -15.613 1.00 0.00 ATOM 896 CA MET 124 2.248 -9.799 -16.223 1.00 0.00 ATOM 897 CB MET 124 3.646 -10.366 -16.481 1.00 0.00 ATOM 898 CG MET 124 4.447 -9.596 -17.519 1.00 0.00 ATOM 899 SD MET 124 3.671 -9.609 -19.146 1.00 0.00 ATOM 900 CE MET 124 3.886 -11.326 -19.610 1.00 0.00 ATOM 901 O MET 124 1.058 -10.460 -14.246 1.00 0.00 ATOM 902 C MET 124 1.507 -10.795 -15.346 1.00 0.00 ATOM 903 N ALA 125 1.358 -12.053 -15.794 1.00 0.00 ATOM 904 CA ALA 125 0.833 -13.032 -14.852 1.00 0.00 ATOM 905 CB ALA 125 -0.663 -13.214 -15.054 1.00 0.00 ATOM 906 O ALA 125 0.744 -15.418 -14.867 1.00 0.00 ATOM 907 C ALA 125 1.462 -14.421 -14.976 1.00 0.00 ATOM 908 N GLU 126 2.769 -14.501 -15.169 1.00 0.00 ATOM 909 CA GLU 126 3.451 -15.791 -15.137 1.00 0.00 ATOM 910 CB GLU 126 3.923 -16.182 -16.539 1.00 0.00 ATOM 911 CG GLU 126 4.587 -17.547 -16.612 1.00 0.00 ATOM 912 CD GLU 126 5.084 -17.878 -18.005 1.00 0.00 ATOM 913 OE1 GLU 126 4.967 -17.015 -18.900 1.00 0.00 ATOM 914 OE2 GLU 126 5.593 -19.002 -18.203 1.00 0.00 ATOM 915 O GLU 126 5.720 -15.200 -14.579 1.00 0.00 ATOM 916 C GLU 126 4.670 -15.725 -14.215 1.00 0.00 ATOM 917 N ASP 127 4.461 -16.291 -13.031 1.00 0.00 ATOM 918 CA ASP 127 5.417 -16.277 -11.936 1.00 0.00 ATOM 919 CB ASP 127 4.786 -16.854 -10.666 1.00 0.00 ATOM 920 CG ASP 127 5.628 -16.602 -9.432 1.00 0.00 ATOM 921 OD1 ASP 127 6.592 -15.813 -9.520 1.00 0.00 ATOM 922 OD2 ASP 127 5.325 -17.195 -8.375 1.00 0.00 ATOM 923 O ASP 127 6.733 -17.939 -13.117 1.00 0.00 ATOM 924 C ASP 127 6.673 -17.098 -12.225 1.00 0.00 ATOM 925 N GLY 128 -7.035 -0.074 -12.525 1.00 0.00 ATOM 926 CA GLY 128 -6.814 1.092 -11.661 1.00 0.00 ATOM 927 O GLY 128 -6.151 2.244 -13.629 1.00 0.00 ATOM 928 C GLY 128 -6.694 2.340 -12.536 1.00 0.00 ATOM 929 N LYS 129 -7.228 3.449 -12.042 1.00 0.00 ATOM 930 CA LYS 129 -7.078 4.705 -12.761 1.00 0.00 ATOM 931 CB LYS 129 -7.677 5.859 -11.955 1.00 0.00 ATOM 932 CG LYS 129 -9.186 5.784 -11.789 1.00 0.00 ATOM 933 CD LYS 129 -9.714 6.971 -11.001 1.00 0.00 ATOM 934 CE LYS 129 -11.221 6.884 -10.816 1.00 0.00 ATOM 935 NZ LYS 129 -11.756 8.049 -10.060 1.00 0.00 ATOM 936 O LYS 129 -4.751 4.475 -12.135 1.00 0.00 ATOM 937 C LYS 129 -5.582 4.900 -12.951 1.00 0.00 ATOM 938 N PRO 130 -5.181 5.532 -14.036 1.00 0.00 ATOM 939 CA PRO 130 -3.730 5.675 -14.219 1.00 0.00 ATOM 940 CB PRO 130 -3.550 5.703 -15.738 1.00 0.00 ATOM 941 CG PRO 130 -4.843 6.237 -16.259 1.00 0.00 ATOM 942 CD PRO 130 -5.901 5.785 -15.289 1.00 0.00 ATOM 943 O PRO 130 -3.284 8.058 -14.138 1.00 0.00 ATOM 944 C PRO 130 -3.303 6.984 -13.544 1.00 0.00 ATOM 945 N ILE 131 -3.000 6.793 -12.275 1.00 0.00 ATOM 946 CA ILE 131 -2.541 7.806 -11.338 1.00 0.00 ATOM 947 CB ILE 131 -3.634 8.164 -10.313 1.00 0.00 ATOM 948 CG1 ILE 131 -4.869 8.722 -11.023 1.00 0.00 ATOM 949 CG2 ILE 131 -3.125 9.211 -9.336 1.00 0.00 ATOM 950 CD1 ILE 131 -6.065 8.904 -10.113 1.00 0.00 ATOM 951 O ILE 131 -1.382 6.120 -10.111 1.00 0.00 ATOM 952 C ILE 131 -1.318 7.252 -10.598 1.00 0.00 ATOM 953 N SER 132 -0.231 8.028 -10.518 1.00 0.00 ATOM 954 CA SER 132 0.944 7.503 -9.821 1.00 0.00 ATOM 955 CB SER 132 2.038 7.129 -10.824 1.00 0.00 ATOM 956 OG SER 132 1.604 6.098 -11.693 1.00 0.00 ATOM 957 O SER 132 1.342 9.744 -9.111 1.00 0.00 ATOM 958 C SER 132 1.503 8.555 -8.858 1.00 0.00 ATOM 959 N SER 133 2.096 8.084 -7.775 1.00 0.00 ATOM 960 CA SER 133 2.677 8.958 -6.760 1.00 0.00 ATOM 961 CB SER 133 3.220 8.135 -5.590 1.00 0.00 ATOM 962 OG SER 133 2.171 7.480 -4.898 1.00 0.00 ATOM 963 O SER 133 3.976 10.932 -7.137 1.00 0.00 ATOM 964 C SER 133 3.813 9.743 -7.401 1.00 0.00 ATOM 965 N THR 134 4.605 9.078 -8.258 1.00 0.00 ATOM 966 CA THR 134 5.674 9.823 -8.930 1.00 0.00 ATOM 967 CB THR 134 6.490 8.915 -9.870 1.00 0.00 ATOM 968 CG2 THR 134 7.567 9.718 -10.584 1.00 0.00 ATOM 969 OG1 THR 134 7.116 7.875 -9.108 1.00 0.00 ATOM 970 O THR 134 5.838 12.063 -9.814 1.00 0.00 ATOM 971 C THR 134 5.232 10.980 -9.795 1.00 0.00 ATOM 972 N ARG 135 4.157 10.763 -10.556 1.00 0.00 ATOM 973 CA ARG 135 3.571 11.833 -11.356 1.00 0.00 ATOM 974 CB ARG 135 2.436 11.290 -12.228 1.00 0.00 ATOM 975 CG ARG 135 2.902 10.407 -13.374 1.00 0.00 ATOM 976 CD ARG 135 1.722 9.842 -14.148 1.00 0.00 ATOM 977 NE ARG 135 2.153 8.985 -15.252 1.00 0.00 ATOM 978 CZ ARG 135 1.323 8.305 -16.036 1.00 0.00 ATOM 979 NH1 ARG 135 1.805 7.552 -17.015 1.00 0.00 ATOM 980 NH2 ARG 135 0.014 8.379 -15.839 1.00 0.00 ATOM 981 O ARG 135 3.107 14.127 -10.740 1.00 0.00 ATOM 982 C ARG 135 3.001 12.936 -10.482 1.00 0.00 ATOM 983 N ILE 136 2.335 12.560 -9.376 1.00 0.00 ATOM 984 CA ILE 136 1.821 13.654 -8.537 1.00 0.00 ATOM 985 CB ILE 136 0.951 13.120 -7.384 1.00 0.00 ATOM 986 CG1 ILE 136 -0.340 12.506 -7.930 1.00 0.00 ATOM 987 CG2 ILE 136 0.584 14.245 -6.428 1.00 0.00 ATOM 988 CD1 ILE 136 -1.128 11.727 -6.901 1.00 0.00 ATOM 989 O ILE 136 2.850 15.666 -7.906 1.00 0.00 ATOM 990 C ILE 136 2.980 14.438 -7.932 1.00 0.00 ATOM 991 N LYS 137 4.054 13.770 -7.498 1.00 0.00 ATOM 992 CA LYS 137 5.183 14.504 -6.923 1.00 0.00 ATOM 993 CB LYS 137 6.292 13.536 -6.502 1.00 0.00 ATOM 994 CG LYS 137 7.489 14.210 -5.852 1.00 0.00 ATOM 995 CD LYS 137 8.514 13.188 -5.388 1.00 0.00 ATOM 996 CE LYS 137 9.725 13.863 -4.765 1.00 0.00 ATOM 997 NZ LYS 137 10.744 12.874 -4.319 1.00 0.00 ATOM 998 O LYS 137 6.043 16.601 -7.585 1.00 0.00 ATOM 999 C LYS 137 5.737 15.470 -7.956 1.00 0.00 ATOM 1000 N ARG 138 5.862 15.040 -9.208 1.00 0.00 ATOM 1001 CA ARG 138 6.352 15.951 -10.251 1.00 0.00 ATOM 1002 CB ARG 138 6.448 15.225 -11.594 1.00 0.00 ATOM 1003 CG ARG 138 7.570 14.201 -11.667 1.00 0.00 ATOM 1004 CD ARG 138 7.562 13.468 -12.999 1.00 0.00 ATOM 1005 NE ARG 138 8.617 12.461 -13.075 1.00 0.00 ATOM 1006 CZ ARG 138 8.786 11.631 -14.100 1.00 0.00 ATOM 1007 NH1 ARG 138 9.774 10.747 -14.082 1.00 0.00 ATOM 1008 NH2 ARG 138 7.965 11.687 -15.139 1.00 0.00 ATOM 1009 O ARG 138 5.943 18.296 -10.633 1.00 0.00 ATOM 1010 C ARG 138 5.458 17.165 -10.469 1.00 0.00 ATOM 1011 N GLY 139 4.136 16.976 -10.489 1.00 0.00 ATOM 1012 CA GLY 139 3.220 18.091 -10.688 1.00 0.00 ATOM 1013 O GLY 139 3.320 20.338 -9.819 1.00 0.00 ATOM 1014 C GLY 139 3.318 19.125 -9.577 1.00 0.00 ATOM 1015 N GLU 140 3.382 18.631 -8.342 1.00 0.00 ATOM 1016 CA GLU 140 3.454 19.487 -7.156 1.00 0.00 ATOM 1017 CB GLU 140 3.420 18.641 -5.881 1.00 0.00 ATOM 1018 CG GLU 140 2.073 17.997 -5.599 1.00 0.00 ATOM 1019 CD GLU 140 2.110 17.070 -4.400 1.00 0.00 ATOM 1020 OE1 GLU 140 3.206 16.873 -3.835 1.00 0.00 ATOM 1021 OE2 GLU 140 1.043 16.539 -4.026 1.00 0.00 ATOM 1022 O GLU 140 4.755 21.489 -6.928 1.00 0.00 ATOM 1023 C GLU 140 4.755 20.284 -7.193 1.00 0.00 ATOM 1024 N ILE 141 5.857 19.615 -7.528 1.00 0.00 ATOM 1025 CA ILE 141 7.144 20.272 -7.672 1.00 0.00 ATOM 1026 CB ILE 141 8.218 19.301 -8.196 1.00 0.00 ATOM 1027 CG1 ILE 141 8.534 18.236 -7.145 1.00 0.00 ATOM 1028 CG2 ILE 141 9.501 20.052 -8.522 1.00 0.00 ATOM 1029 CD1 ILE 141 9.383 17.097 -7.666 1.00 0.00 ATOM 1030 O ILE 141 7.812 22.447 -8.446 1.00 0.00 ATOM 1031 C ILE 141 7.106 21.443 -8.641 1.00 0.00 ATOM 1032 N ASP 142 6.294 21.342 -9.689 1.00 0.00 ATOM 1033 CA ASP 142 6.127 22.392 -10.691 1.00 0.00 ATOM 1034 CB ASP 142 5.812 21.784 -12.058 1.00 0.00 ATOM 1035 CG ASP 142 6.945 20.925 -12.588 1.00 0.00 ATOM 1036 OD1 ASP 142 8.108 21.377 -12.534 1.00 0.00 ATOM 1037 OD2 ASP 142 6.669 19.803 -13.058 1.00 0.00 ATOM 1038 O ASP 142 4.539 24.126 -11.160 1.00 0.00 ATOM 1039 C ASP 142 4.985 23.336 -10.320 1.00 0.00 ATOM 1040 N ARG 143 4.517 23.265 -9.075 1.00 0.00 ATOM 1041 CA ARG 143 3.472 24.193 -8.628 1.00 0.00 ATOM 1042 CB ARG 143 3.895 25.641 -8.887 1.00 0.00 ATOM 1043 CG ARG 143 5.162 26.057 -8.158 1.00 0.00 ATOM 1044 CD ARG 143 5.548 27.488 -8.494 1.00 0.00 ATOM 1045 NE ARG 143 6.835 27.858 -7.910 1.00 0.00 ATOM 1046 CZ ARG 143 7.412 29.046 -8.067 1.00 0.00 ATOM 1047 NH1 ARG 143 8.584 29.294 -7.498 1.00 0.00 ATOM 1048 NH2 ARG 143 6.816 29.982 -8.792 1.00 0.00 ATOM 1049 O ARG 143 1.303 24.889 -9.476 1.00 0.00 ATOM 1050 C ARG 143 2.146 23.991 -9.330 1.00 0.00 ATOM 1051 N TYR 144 1.929 22.766 -9.806 1.00 0.00 ATOM 1052 CA TYR 144 0.671 22.493 -10.501 1.00 0.00 ATOM 1053 CB TYR 144 0.914 21.596 -11.715 1.00 0.00 ATOM 1054 CG TYR 144 1.817 22.211 -12.761 1.00 0.00 ATOM 1055 CD1 TYR 144 1.937 23.590 -12.874 1.00 0.00 ATOM 1056 CD2 TYR 144 2.546 21.411 -13.631 1.00 0.00 ATOM 1057 CE1 TYR 144 2.761 24.161 -13.826 1.00 0.00 ATOM 1058 CE2 TYR 144 3.374 21.965 -14.589 1.00 0.00 ATOM 1059 CZ TYR 144 3.477 23.351 -14.680 1.00 0.00 ATOM 1060 OH TYR 144 4.296 23.917 -15.629 1.00 0.00 ATOM 1061 O TYR 144 0.063 21.186 -8.585 1.00 0.00 ATOM 1062 C TYR 144 -0.328 21.789 -9.593 1.00 0.00 ATOM 1063 N GLY 145 -1.601 21.877 -9.973 1.00 0.00 ATOM 1064 CA GLY 145 -2.711 21.375 -9.159 1.00 0.00 ATOM 1065 O GLY 145 -3.052 19.341 -10.357 1.00 0.00 ATOM 1066 C GLY 145 -2.896 19.866 -9.253 1.00 0.00 TER END