PFRMAT TS TARGET T0545 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 T0545 model 5 Tue May 18 18:41:22 2010 MODEL 5 PARENT N/A ATOM 2 N PHE 6 -10.163 3.342 -2.995 1.00 0.00 ATOM 3 CA PHE 6 -8.944 3.687 -2.225 1.00 0.00 ATOM 4 CB PHE 6 -8.350 2.438 -1.574 1.00 0.00 ATOM 5 CG PHE 6 -7.135 2.712 -0.732 1.00 0.00 ATOM 6 CD1 PHE 6 -7.173 3.659 0.276 1.00 0.00 ATOM 7 CD2 PHE 6 -5.955 2.023 -0.949 1.00 0.00 ATOM 8 CE1 PHE 6 -6.057 3.912 1.050 1.00 0.00 ATOM 9 CE2 PHE 6 -4.839 2.275 -0.175 1.00 0.00 ATOM 10 CZ PHE 6 -4.887 3.215 0.821 1.00 0.00 ATOM 11 O PHE 6 -7.611 3.759 -4.210 1.00 0.00 ATOM 12 C PHE 6 -7.973 4.347 -3.190 1.00 0.00 ATOM 13 N PRO 7 -7.541 5.574 -2.903 1.00 0.00 ATOM 14 CA PRO 7 -6.822 6.265 -3.989 1.00 0.00 ATOM 15 CB PRO 7 -7.159 7.741 -3.776 1.00 0.00 ATOM 16 CG PRO 7 -7.444 7.853 -2.317 1.00 0.00 ATOM 17 CD PRO 7 -7.605 6.446 -1.815 1.00 0.00 ATOM 18 O PRO 7 -4.768 5.944 -2.836 1.00 0.00 ATOM 19 C PRO 7 -5.314 6.037 -3.933 1.00 0.00 ATOM 20 N ALA 8 -4.647 5.903 -5.083 1.00 0.00 ATOM 21 CA ALA 8 -3.183 5.771 -5.123 1.00 0.00 ATOM 22 CB ALA 8 -2.700 5.668 -6.562 1.00 0.00 ATOM 23 O ALA 8 -3.223 8.011 -4.355 1.00 0.00 ATOM 24 C ALA 8 -2.593 6.970 -4.414 1.00 0.00 ATOM 25 N VAL 9 -1.399 6.858 -3.861 1.00 0.00 ATOM 26 CA VAL 9 -0.736 8.079 -3.385 1.00 0.00 ATOM 27 CB VAL 9 -0.703 8.140 -1.846 1.00 0.00 ATOM 28 CG1 VAL 9 -0.016 9.414 -1.379 1.00 0.00 ATOM 29 CG2 VAL 9 -2.113 8.053 -1.280 1.00 0.00 ATOM 30 O VAL 9 1.431 7.171 -3.669 1.00 0.00 ATOM 31 C VAL 9 0.636 8.012 -4.023 1.00 0.00 ATOM 32 N LEU 10 0.869 8.808 -5.049 1.00 0.00 ATOM 33 CA LEU 10 1.983 8.567 -5.946 1.00 0.00 ATOM 34 CB LEU 10 1.536 7.723 -7.141 1.00 0.00 ATOM 35 CG LEU 10 1.203 6.259 -6.851 1.00 0.00 ATOM 36 CD1 LEU 10 0.771 5.543 -8.122 1.00 0.00 ATOM 37 CD2 LEU 10 2.395 5.551 -6.224 1.00 0.00 ATOM 38 O LEU 10 1.842 10.803 -6.721 1.00 0.00 ATOM 39 C LEU 10 2.566 9.873 -6.408 1.00 0.00 ATOM 40 N ASP 11 3.878 9.987 -6.414 1.00 0.00 ATOM 41 CA ASP 11 4.423 11.178 -7.010 1.00 0.00 ATOM 42 CB ASP 11 4.975 12.114 -5.932 1.00 0.00 ATOM 43 CG ASP 11 5.001 13.564 -6.376 1.00 0.00 ATOM 44 OD1 ASP 11 4.642 13.834 -7.541 1.00 0.00 ATOM 45 OD2 ASP 11 5.379 14.428 -5.558 1.00 0.00 ATOM 46 O ASP 11 5.517 9.530 -8.316 1.00 0.00 ATOM 47 C ASP 11 5.471 10.702 -7.969 1.00 0.00 ATOM 48 N GLU 12 6.291 11.610 -8.436 1.00 0.00 ATOM 49 CA GLU 12 7.456 11.239 -9.177 1.00 0.00 ATOM 50 CB GLU 12 7.645 12.166 -10.379 1.00 0.00 ATOM 51 CG GLU 12 6.495 12.141 -11.370 1.00 0.00 ATOM 52 CD GLU 12 6.381 10.814 -12.096 1.00 0.00 ATOM 53 OE1 GLU 12 7.394 10.087 -12.169 1.00 0.00 ATOM 54 OE2 GLU 12 5.278 10.500 -12.591 1.00 0.00 ATOM 55 O GLU 12 8.312 12.009 -7.105 1.00 0.00 ATOM 56 C GLU 12 8.532 11.335 -8.121 1.00 0.00 ATOM 57 N ASN 13 9.693 10.707 -8.349 1.00 0.00 ATOM 58 CA ASN 13 10.828 10.810 -7.416 1.00 0.00 ATOM 59 CB ASN 13 11.124 12.275 -7.092 1.00 0.00 ATOM 60 CG ASN 13 12.562 12.500 -6.669 1.00 0.00 ATOM 61 ND2 ASN 13 12.977 13.760 -6.632 1.00 0.00 ATOM 62 OD1 ASN 13 13.290 11.550 -6.381 1.00 0.00 ATOM 63 O ASN 13 11.236 10.359 -5.114 1.00 0.00 ATOM 64 C ASN 13 10.613 10.035 -6.119 1.00 0.00 ATOM 65 N THR 14 9.729 9.039 -6.097 1.00 0.00 ATOM 66 CA THR 14 9.658 8.266 -4.876 1.00 0.00 ATOM 67 CB THR 14 8.301 7.550 -4.740 1.00 0.00 ATOM 68 CG2 THR 14 8.250 6.748 -3.450 1.00 0.00 ATOM 69 OG1 THR 14 7.246 8.519 -4.720 1.00 0.00 ATOM 70 O THR 14 11.140 6.537 -5.703 1.00 0.00 ATOM 71 C THR 14 10.788 7.184 -4.739 1.00 0.00 ATOM 75 N LEU 17 7.553 2.367 -3.074 1.00 0.00 ATOM 76 CA LEU 17 6.150 2.382 -3.315 1.00 0.00 ATOM 77 CB LEU 17 5.864 2.583 -4.804 1.00 0.00 ATOM 78 CG LEU 17 4.418 2.909 -5.179 1.00 0.00 ATOM 79 CD1 LEU 17 4.337 3.430 -6.606 1.00 0.00 ATOM 80 CD2 LEU 17 3.531 1.684 -5.013 1.00 0.00 ATOM 81 O LEU 17 5.537 -0.043 -3.512 1.00 0.00 ATOM 82 C LEU 17 5.458 1.061 -2.815 1.00 0.00 ATOM 83 N ILE 18 4.723 1.126 -1.683 1.00 0.00 ATOM 84 CA ILE 18 4.274 -0.127 -1.101 1.00 0.00 ATOM 85 CB ILE 18 3.754 0.072 0.335 1.00 0.00 ATOM 86 CG1 ILE 18 4.758 0.884 1.157 1.00 0.00 ATOM 87 CG2 ILE 18 3.447 -1.270 0.981 1.00 0.00 ATOM 88 CD1 ILE 18 6.102 0.207 1.322 1.00 0.00 ATOM 89 O ILE 18 2.434 0.117 -2.502 1.00 0.00 ATOM 90 C ILE 18 3.220 -0.646 -2.038 1.00 0.00 ATOM 91 N LEU 19 3.156 -1.908 -2.345 1.00 0.00 ATOM 92 CA LEU 19 2.152 -2.293 -3.291 1.00 0.00 ATOM 93 CB LEU 19 2.797 -2.744 -4.603 1.00 0.00 ATOM 94 CG LEU 19 1.844 -3.231 -5.696 1.00 0.00 ATOM 95 CD1 LEU 19 0.923 -2.107 -6.145 1.00 0.00 ATOM 96 CD2 LEU 19 2.620 -3.783 -6.880 1.00 0.00 ATOM 97 O LEU 19 1.916 -4.478 -2.349 1.00 0.00 ATOM 98 C LEU 19 1.382 -3.377 -2.595 1.00 0.00 ATOM 99 N GLY 20 0.129 -3.089 -2.258 1.00 0.00 ATOM 100 CA GLY 20 -0.682 -4.086 -1.577 1.00 0.00 ATOM 101 O GLY 20 -1.281 -4.547 -3.786 1.00 0.00 ATOM 102 C GLY 20 -1.369 -4.882 -2.614 1.00 0.00 ATOM 103 N SER 21 -2.043 -5.936 -2.189 1.00 0.00 ATOM 104 CA SER 21 -2.712 -6.842 -3.122 1.00 0.00 ATOM 105 CB SER 21 -3.159 -8.116 -2.403 1.00 0.00 ATOM 106 OG SER 21 -2.044 -8.871 -1.960 1.00 0.00 ATOM 107 O SER 21 -4.165 -6.203 -4.924 1.00 0.00 ATOM 108 C SER 21 -3.881 -6.102 -3.732 1.00 0.00 ATOM 109 N LEU 22 -4.569 -5.340 -2.887 1.00 0.00 ATOM 110 CA LEU 22 -5.920 -4.802 -3.178 1.00 0.00 ATOM 111 CB LEU 22 -6.808 -5.886 -3.792 1.00 0.00 ATOM 112 CG LEU 22 -7.263 -7.003 -2.849 1.00 0.00 ATOM 113 CD1 LEU 22 -8.385 -7.813 -3.478 1.00 0.00 ATOM 114 CD2 LEU 22 -6.095 -7.908 -2.486 1.00 0.00 ATOM 115 O LEU 22 -5.904 -4.466 -0.822 1.00 0.00 ATOM 116 C LEU 22 -6.494 -4.270 -1.888 1.00 0.00 ATOM 117 N PRO 23 -7.622 -3.567 -1.977 1.00 0.00 ATOM 118 CA PRO 23 -7.966 -2.845 -0.768 1.00 0.00 ATOM 119 CB PRO 23 -8.398 -1.466 -1.271 1.00 0.00 ATOM 120 CG PRO 23 -9.223 -1.751 -2.481 1.00 0.00 ATOM 121 CD PRO 23 -8.680 -3.027 -3.064 1.00 0.00 ATOM 122 O PRO 23 -10.224 -3.886 -0.563 1.00 0.00 ATOM 123 C PRO 23 -9.122 -3.587 -0.017 1.00 0.00 ATOM 124 N SER 24 -8.854 -3.960 1.222 1.00 0.00 ATOM 125 CA SER 24 -9.858 -4.770 1.926 1.00 0.00 ATOM 126 CB SER 24 -9.198 -5.604 3.025 1.00 0.00 ATOM 127 OG SER 24 -8.714 -4.780 4.070 1.00 0.00 ATOM 128 O SER 24 -10.887 -2.669 2.591 1.00 0.00 ATOM 129 C SER 24 -10.964 -3.919 2.530 1.00 0.00 ATOM 130 N ASP 25 -11.973 -4.613 3.040 1.00 0.00 ATOM 131 CA ASP 25 -13.079 -3.961 3.691 1.00 0.00 ATOM 132 CB ASP 25 -13.869 -4.963 4.536 1.00 0.00 ATOM 133 CG ASP 25 -14.664 -5.938 3.690 1.00 0.00 ATOM 134 OD1 ASP 25 -14.823 -5.682 2.478 1.00 0.00 ATOM 135 OD2 ASP 25 -15.126 -6.961 4.239 1.00 0.00 ATOM 136 O ASP 25 -13.451 -1.793 4.461 1.00 0.00 ATOM 137 C ASP 25 -12.779 -2.789 4.599 1.00 0.00 ATOM 138 N GLU 26 -11.823 -2.833 5.509 1.00 0.00 ATOM 139 CA GLU 26 -11.617 -1.582 6.278 1.00 0.00 ATOM 140 CB GLU 26 -10.547 -1.785 7.354 1.00 0.00 ATOM 141 CG GLU 26 -10.282 -0.554 8.203 1.00 0.00 ATOM 142 CD GLU 26 -11.466 -0.180 9.075 1.00 0.00 ATOM 143 OE1 GLU 26 -12.532 -0.815 8.931 1.00 0.00 ATOM 144 OE2 GLU 26 -11.328 0.747 9.899 1.00 0.00 ATOM 145 O GLU 26 -11.777 0.655 5.585 1.00 0.00 ATOM 146 C GLU 26 -11.234 -0.434 5.433 1.00 0.00 ATOM 147 N SER 27 -10.262 -0.685 4.552 1.00 0.00 ATOM 148 CA SER 27 -9.518 0.386 3.888 1.00 0.00 ATOM 149 CB SER 27 -8.275 -0.175 3.193 1.00 0.00 ATOM 150 OG SER 27 -8.633 -1.058 2.145 1.00 0.00 ATOM 151 O SER 27 -10.668 2.280 2.932 1.00 0.00 ATOM 152 C SER 27 -10.477 1.055 2.905 1.00 0.00 ATOM 153 N ILE 28 -11.126 0.209 2.101 1.00 0.00 ATOM 154 CA ILE 28 -12.278 0.607 1.329 1.00 0.00 ATOM 155 CB ILE 28 -13.069 -0.614 0.825 1.00 0.00 ATOM 156 CG1 ILE 28 -12.218 -1.438 -0.144 1.00 0.00 ATOM 157 CG2 ILE 28 -14.381 -0.175 0.194 1.00 0.00 ATOM 158 CD1 ILE 28 -11.804 -0.683 -1.387 1.00 0.00 ATOM 159 O ILE 28 -13.213 2.692 1.947 1.00 0.00 ATOM 160 C ILE 28 -13.110 1.501 2.222 1.00 0.00 ATOM 161 N ARG 29 -13.643 0.962 3.327 1.00 0.00 ATOM 162 CA ARG 29 -14.540 1.748 4.183 1.00 0.00 ATOM 163 CB ARG 29 -14.936 0.944 5.424 1.00 0.00 ATOM 164 CG ARG 29 -15.904 1.665 6.347 1.00 0.00 ATOM 165 CD ARG 29 -16.203 0.840 7.587 1.00 0.00 ATOM 166 NE ARG 29 -15.012 0.634 8.408 1.00 0.00 ATOM 167 CZ ARG 29 -14.517 1.541 9.245 1.00 0.00 ATOM 168 NH1 ARG 29 -13.428 1.267 9.951 1.00 0.00 ATOM 169 NH2 ARG 29 -15.111 2.719 9.375 1.00 0.00 ATOM 170 O ARG 29 -14.584 4.051 4.593 1.00 0.00 ATOM 171 C ARG 29 -13.915 3.052 4.603 1.00 0.00 ATOM 172 N LYS 30 -12.643 3.100 4.938 1.00 0.00 ATOM 173 CA LYS 30 -12.165 4.415 5.336 1.00 0.00 ATOM 174 CB LYS 30 -11.449 4.339 6.686 1.00 0.00 ATOM 175 CG LYS 30 -10.161 3.531 6.660 1.00 0.00 ATOM 176 CD LYS 30 -9.936 2.811 7.978 1.00 0.00 ATOM 177 CE LYS 30 -10.103 3.753 9.159 1.00 0.00 ATOM 178 NZ LYS 30 -9.724 3.105 10.445 1.00 0.00 ATOM 179 O LYS 30 -10.642 6.194 4.850 1.00 0.00 ATOM 180 C LYS 30 -11.212 5.194 4.422 1.00 0.00 ATOM 181 N GLN 31 -11.128 4.826 3.150 1.00 0.00 ATOM 182 CA GLN 31 -10.347 5.628 2.173 1.00 0.00 ATOM 183 CB GLN 31 -11.071 6.937 1.852 1.00 0.00 ATOM 184 CG GLN 31 -12.404 6.752 1.146 1.00 0.00 ATOM 185 CD GLN 31 -12.245 6.235 -0.271 1.00 0.00 ATOM 186 OE1 GLN 31 -11.747 6.941 -1.147 1.00 0.00 ATOM 187 NE2 GLN 31 -12.672 4.998 -0.498 1.00 0.00 ATOM 188 O GLN 31 -8.523 7.136 2.606 1.00 0.00 ATOM 189 C GLN 31 -8.912 5.973 2.616 1.00 0.00 ATOM 190 N GLN 32 -8.131 4.973 3.018 1.00 0.00 ATOM 191 CA GLN 32 -6.865 5.179 3.730 1.00 0.00 ATOM 192 CB GLN 32 -7.117 5.824 5.094 1.00 0.00 ATOM 193 CG GLN 32 -7.720 7.216 5.021 1.00 0.00 ATOM 194 CD GLN 32 -7.936 7.831 6.391 1.00 0.00 ATOM 195 OE1 GLN 32 -6.986 8.258 7.046 1.00 0.00 ATOM 196 NE2 GLN 32 -9.189 7.878 6.826 1.00 0.00 ATOM 197 O GLN 32 -6.845 2.806 4.046 1.00 0.00 ATOM 198 C GLN 32 -6.173 3.842 3.865 1.00 0.00 ATOM 199 N TYR 33 -4.848 3.851 3.718 1.00 0.00 ATOM 200 CA TYR 33 -4.100 2.615 3.440 1.00 0.00 ATOM 201 CB TYR 33 -2.883 2.911 2.559 1.00 0.00 ATOM 202 CG TYR 33 -2.063 1.688 2.218 1.00 0.00 ATOM 203 CD1 TYR 33 -2.668 0.543 1.716 1.00 0.00 ATOM 204 CD2 TYR 33 -0.686 1.682 2.400 1.00 0.00 ATOM 205 CE1 TYR 33 -1.926 -0.579 1.401 1.00 0.00 ATOM 206 CE2 TYR 33 0.073 0.569 2.090 1.00 0.00 ATOM 207 CZ TYR 33 -0.560 -0.567 1.586 1.00 0.00 ATOM 208 OH TYR 33 0.181 -1.683 1.273 1.00 0.00 ATOM 209 O TYR 33 -3.004 2.522 5.635 1.00 0.00 ATOM 210 C TYR 33 -3.632 1.893 4.737 1.00 0.00 ATOM 211 N TYR 34 -3.924 0.583 4.846 1.00 0.00 ATOM 212 CA TYR 34 -3.442 -0.165 6.027 1.00 0.00 ATOM 213 CB TYR 34 -1.919 -0.077 6.132 1.00 0.00 ATOM 214 CG TYR 34 -1.189 -0.631 4.929 1.00 0.00 ATOM 215 CD1 TYR 34 -1.481 -1.898 4.442 1.00 0.00 ATOM 216 CD2 TYR 34 -0.211 0.114 4.285 1.00 0.00 ATOM 217 CE1 TYR 34 -0.820 -2.413 3.343 1.00 0.00 ATOM 218 CE2 TYR 34 0.461 -0.384 3.185 1.00 0.00 ATOM 219 CZ TYR 34 0.148 -1.660 2.717 1.00 0.00 ATOM 220 OH TYR 34 0.809 -2.170 1.623 1.00 0.00 ATOM 221 O TYR 34 -3.305 0.648 8.275 1.00 0.00 ATOM 222 C TYR 34 -4.064 0.328 7.342 1.00 0.00 ATOM 223 N GLY 35 -5.427 0.434 7.423 1.00 0.00 ATOM 224 CA GLY 35 -6.001 0.848 8.698 1.00 0.00 ATOM 225 O GLY 35 -5.189 0.085 10.806 1.00 0.00 ATOM 226 C GLY 35 -5.821 -0.228 9.794 1.00 0.00 ATOM 230 N ASP 40 0.609 -4.558 10.513 1.00 0.00 ATOM 231 CA ASP 40 1.846 -4.232 11.119 1.00 0.00 ATOM 232 CB ASP 40 2.699 -5.488 11.302 1.00 0.00 ATOM 233 CG ASP 40 3.882 -5.260 12.224 1.00 0.00 ATOM 234 OD1 ASP 40 3.663 -4.850 13.382 1.00 0.00 ATOM 235 OD2 ASP 40 5.029 -5.490 11.784 1.00 0.00 ATOM 236 O ASP 40 3.552 -2.685 10.622 1.00 0.00 ATOM 237 C ASP 40 2.520 -3.224 10.257 1.00 0.00 ATOM 238 N PHE 41 1.942 -2.959 9.101 1.00 0.00 ATOM 239 CA PHE 41 2.485 -1.910 8.291 1.00 0.00 ATOM 240 CB PHE 41 1.520 -1.554 7.159 1.00 0.00 ATOM 241 CG PHE 41 2.031 -0.476 6.245 1.00 0.00 ATOM 242 CD1 PHE 41 2.973 -0.760 5.273 1.00 0.00 ATOM 243 CD2 PHE 41 1.566 0.823 6.360 1.00 0.00 ATOM 244 CE1 PHE 41 3.441 0.233 4.434 1.00 0.00 ATOM 245 CE2 PHE 41 2.035 1.816 5.519 1.00 0.00 ATOM 246 CZ PHE 41 2.968 1.525 4.560 1.00 0.00 ATOM 247 O PHE 41 3.992 -0.251 9.113 1.00 0.00 ATOM 248 C PHE 41 2.843 -0.589 9.015 1.00 0.00 ATOM 249 N TRP 42 1.882 0.160 9.521 1.00 0.00 ATOM 250 CA TRP 42 2.220 1.434 10.196 1.00 0.00 ATOM 251 CB TRP 42 0.952 2.127 10.697 1.00 0.00 ATOM 252 CG TRP 42 0.012 2.526 9.602 1.00 0.00 ATOM 253 CD1 TRP 42 -1.057 1.815 9.139 1.00 0.00 ATOM 254 CD2 TRP 42 0.057 3.732 8.828 1.00 0.00 ATOM 255 CE2 TRP 42 -1.015 3.682 7.918 1.00 0.00 ATOM 256 CE3 TRP 42 0.900 4.847 8.818 1.00 0.00 ATOM 257 NE1 TRP 42 -1.682 2.500 8.126 1.00 0.00 ATOM 258 CZ2 TRP 42 -1.267 4.706 7.005 1.00 0.00 ATOM 259 CZ3 TRP 42 0.644 5.859 7.911 1.00 0.00 ATOM 260 CH2 TRP 42 -0.429 5.785 7.017 1.00 0.00 ATOM 261 O TRP 42 3.922 2.111 11.730 1.00 0.00 ATOM 262 C TRP 42 3.182 1.212 11.352 1.00 0.00 ATOM 263 N ARG 43 3.182 -0.002 11.886 1.00 0.00 ATOM 264 CA ARG 43 4.044 -0.329 13.014 1.00 0.00 ATOM 265 CB ARG 43 3.595 -1.637 13.671 1.00 0.00 ATOM 266 CG ARG 43 2.282 -1.531 14.431 1.00 0.00 ATOM 267 CD ARG 43 2.045 -2.757 15.296 1.00 0.00 ATOM 268 NE ARG 43 1.914 -3.973 14.497 1.00 0.00 ATOM 269 CZ ARG 43 0.768 -4.408 13.983 1.00 0.00 ATOM 270 NH1 ARG 43 0.744 -5.526 13.268 1.00 0.00 ATOM 271 NH2 ARG 43 -0.351 -3.725 14.182 1.00 0.00 ATOM 272 O ARG 43 6.370 0.333 13.036 1.00 0.00 ATOM 273 C ARG 43 5.485 -0.434 12.579 1.00 0.00 ATOM 274 N LEU 44 5.693 -1.423 11.713 1.00 0.00 ATOM 275 CA LEU 44 6.982 -1.706 11.136 1.00 0.00 ATOM 276 CB LEU 44 6.838 -2.652 9.941 1.00 0.00 ATOM 277 CG LEU 44 8.133 -3.029 9.219 1.00 0.00 ATOM 278 CD1 LEU 44 9.083 -3.754 10.158 1.00 0.00 ATOM 279 CD2 LEU 44 7.835 -3.890 8.000 1.00 0.00 ATOM 280 O LEU 44 8.743 -0.090 11.241 1.00 0.00 ATOM 281 C LEU 44 7.700 -0.431 10.699 1.00 0.00 ATOM 282 N VAL 45 7.082 0.315 9.796 1.00 0.00 ATOM 283 CA VAL 45 7.604 1.574 9.335 1.00 0.00 ATOM 284 CB VAL 45 6.503 2.442 8.697 1.00 0.00 ATOM 285 CG1 VAL 45 7.027 3.841 8.409 1.00 0.00 ATOM 286 CG2 VAL 45 5.982 1.792 7.425 1.00 0.00 ATOM 287 O VAL 45 9.308 2.994 10.246 1.00 0.00 ATOM 288 C VAL 45 8.267 2.355 10.422 1.00 0.00 ATOM 289 N GLY 46 7.624 2.354 11.559 1.00 0.00 ATOM 290 CA GLY 46 8.158 3.151 12.609 1.00 0.00 ATOM 291 O GLY 46 10.415 2.850 13.337 1.00 0.00 ATOM 292 C GLY 46 9.295 2.365 13.250 1.00 0.00 ATOM 293 N HIS 47 9.030 1.132 13.652 1.00 0.00 ATOM 294 CA HIS 47 10.050 0.406 14.389 1.00 0.00 ATOM 295 CB HIS 47 9.420 -0.732 15.194 1.00 0.00 ATOM 296 CG HIS 47 8.543 -0.266 16.315 1.00 0.00 ATOM 297 CD2 HIS 47 7.129 -0.371 16.639 1.00 0.00 ATOM 298 ND1 HIS 47 9.025 0.454 17.388 1.00 0.00 ATOM 299 CE1 HIS 47 8.008 0.726 18.223 1.00 0.00 ATOM 300 NE2 HIS 47 6.866 0.235 17.781 1.00 0.00 ATOM 301 O HIS 47 12.166 -0.686 13.904 1.00 0.00 ATOM 302 C HIS 47 11.147 -0.166 13.457 1.00 0.00 ATOM 303 N ALA 48 10.931 -0.049 12.148 1.00 0.00 ATOM 304 CA ALA 48 11.996 -0.288 11.163 1.00 0.00 ATOM 305 CB ALA 48 11.400 -0.731 9.836 1.00 0.00 ATOM 306 O ALA 48 13.793 1.027 10.256 1.00 0.00 ATOM 307 C ALA 48 12.820 0.993 11.005 1.00 0.00 ATOM 308 N ILE 49 12.433 2.060 11.675 1.00 0.00 ATOM 309 CA ILE 49 13.100 3.309 11.403 1.00 0.00 ATOM 310 CB ILE 49 14.629 3.130 11.341 1.00 0.00 ATOM 311 CG1 ILE 49 15.174 2.720 12.710 1.00 0.00 ATOM 312 CG2 ILE 49 15.292 4.396 10.822 1.00 0.00 ATOM 313 CD1 ILE 49 16.619 2.272 12.683 1.00 0.00 ATOM 314 O ILE 49 13.170 5.161 9.898 1.00 0.00 ATOM 315 C ILE 49 12.697 4.049 10.128 1.00 0.00 ATOM 316 N GLY 50 11.810 3.490 9.312 1.00 0.00 ATOM 317 CA GLY 50 11.424 4.215 8.123 1.00 0.00 ATOM 318 O GLY 50 10.651 6.351 7.477 1.00 0.00 ATOM 319 C GLY 50 10.629 5.493 8.353 1.00 0.00 ATOM 320 N GLU 51 9.940 5.644 9.499 1.00 0.00 ATOM 321 CA GLU 51 9.452 6.979 10.007 1.00 0.00 ATOM 322 CB GLU 51 7.923 7.036 9.981 1.00 0.00 ATOM 323 CG GLU 51 7.321 6.922 8.590 1.00 0.00 ATOM 324 CD GLU 51 5.807 6.999 8.603 1.00 0.00 ATOM 325 OE1 GLU 51 5.194 6.503 9.572 1.00 0.00 ATOM 326 OE2 GLU 51 5.232 7.554 7.642 1.00 0.00 ATOM 327 O GLU 51 10.464 6.220 12.013 1.00 0.00 ATOM 328 C GLU 51 9.990 7.177 11.394 1.00 0.00 ATOM 329 N ASN 52 9.888 8.396 11.911 1.00 0.00 ATOM 330 CA ASN 52 10.587 8.744 13.159 1.00 0.00 ATOM 331 CB ASN 52 11.483 9.967 12.951 1.00 0.00 ATOM 332 CG ASN 52 12.647 9.684 12.021 1.00 0.00 ATOM 333 ND2 ASN 52 12.881 10.588 11.077 1.00 0.00 ATOM 334 OD1 ASN 52 13.326 8.665 12.152 1.00 0.00 ATOM 335 O ASN 52 10.000 9.326 15.453 1.00 0.00 ATOM 336 C ASN 52 9.614 8.998 14.320 1.00 0.00 ATOM 337 N LEU 53 8.338 8.869 13.993 1.00 0.00 ATOM 338 CA LEU 53 7.245 8.768 14.938 1.00 0.00 ATOM 339 CB LEU 53 6.563 10.127 15.115 1.00 0.00 ATOM 340 CG LEU 53 7.431 11.251 15.683 1.00 0.00 ATOM 341 CD1 LEU 53 6.697 12.583 15.617 1.00 0.00 ATOM 342 CD2 LEU 53 7.839 10.944 17.117 1.00 0.00 ATOM 343 O LEU 53 6.452 7.430 13.074 1.00 0.00 ATOM 344 C LEU 53 6.358 7.690 14.310 1.00 0.00 ATOM 345 N GLN 54 5.556 7.042 15.168 1.00 0.00 ATOM 346 CA GLN 54 4.635 5.967 14.767 1.00 0.00 ATOM 347 CB GLN 54 4.421 4.987 15.922 1.00 0.00 ATOM 348 CG GLN 54 3.167 4.137 15.790 1.00 0.00 ATOM 349 CD GLN 54 3.232 3.182 14.616 1.00 0.00 ATOM 350 OE1 GLN 54 2.965 1.989 14.758 1.00 0.00 ATOM 351 NE2 GLN 54 3.590 3.704 13.448 1.00 0.00 ATOM 352 O GLN 54 2.873 7.515 15.103 1.00 0.00 ATOM 353 C GLN 54 3.393 6.693 14.351 1.00 0.00 ATOM 354 N ASP 55 2.978 6.459 13.115 1.00 0.00 ATOM 355 CA ASP 55 1.845 7.148 12.557 1.00 0.00 ATOM 356 CB ASP 55 2.285 8.069 11.417 1.00 0.00 ATOM 357 CG ASP 55 2.886 7.307 10.253 1.00 0.00 ATOM 358 OD1 ASP 55 3.058 6.075 10.373 1.00 0.00 ATOM 359 OD2 ASP 55 3.186 7.941 9.218 1.00 0.00 ATOM 360 O ASP 55 1.005 4.927 12.489 1.00 0.00 ATOM 361 C ASP 55 0.870 6.095 12.096 1.00 0.00 ATOM 365 N ALA 57 -0.101 6.500 11.270 1.00 0.00 ATOM 366 CA ALA 57 -1.182 5.604 10.848 1.00 0.00 ATOM 367 CB ALA 57 -2.232 5.488 11.941 1.00 0.00 ATOM 368 O ALA 57 -1.594 7.024 8.967 1.00 0.00 ATOM 369 C ALA 57 -1.895 5.999 9.559 1.00 0.00 ATOM 370 N TYR 58 -2.930 5.228 9.226 1.00 0.00 ATOM 371 CA TYR 58 -3.547 5.255 7.921 1.00 0.00 ATOM 372 CB TYR 58 -4.743 4.303 7.875 1.00 0.00 ATOM 373 CG TYR 58 -5.922 4.758 8.706 1.00 0.00 ATOM 374 CD1 TYR 58 -6.864 5.635 8.182 1.00 0.00 ATOM 375 CD2 TYR 58 -6.090 4.311 10.009 1.00 0.00 ATOM 376 CE1 TYR 58 -7.944 6.057 8.933 1.00 0.00 ATOM 377 CE2 TYR 58 -7.164 4.722 10.775 1.00 0.00 ATOM 378 CZ TYR 58 -8.093 5.603 10.225 1.00 0.00 ATOM 379 OH TYR 58 -9.168 6.021 10.975 1.00 0.00 ATOM 380 O TYR 58 -4.377 6.775 6.335 1.00 0.00 ATOM 381 C TYR 58 -4.001 6.606 7.495 1.00 0.00 ATOM 382 N GLU 59 -3.961 7.571 8.399 1.00 0.00 ATOM 383 CA GLU 59 -4.405 8.897 8.057 1.00 0.00 ATOM 384 CB GLU 59 -5.282 9.473 9.170 1.00 0.00 ATOM 385 CG GLU 59 -4.520 9.847 10.430 1.00 0.00 ATOM 386 CD GLU 59 -4.270 8.656 11.335 1.00 0.00 ATOM 387 OE1 GLU 59 -4.496 7.514 10.887 1.00 0.00 ATOM 388 OE2 GLU 59 -3.848 8.867 12.492 1.00 0.00 ATOM 389 O GLU 59 -3.481 11.062 7.564 1.00 0.00 ATOM 390 C GLU 59 -3.261 9.870 7.780 1.00 0.00 ATOM 391 N LYS 60 -2.029 9.382 7.825 1.00 0.00 ATOM 392 CA LYS 60 -0.890 10.185 7.401 1.00 0.00 ATOM 393 CB LYS 60 0.233 10.112 8.438 1.00 0.00 ATOM 394 CG LYS 60 -0.174 10.577 9.827 1.00 0.00 ATOM 395 CD LYS 60 -0.542 12.051 9.829 1.00 0.00 ATOM 396 CE LYS 60 -0.873 12.536 11.231 1.00 0.00 ATOM 397 NZ LYS 60 -1.291 13.965 11.241 1.00 0.00 ATOM 398 O LYS 60 0.493 10.155 5.419 1.00 0.00 ATOM 399 C LYS 60 -0.451 9.653 6.033 1.00 0.00 ATOM 400 N LYS 61 -1.171 8.639 5.560 1.00 0.00 ATOM 401 CA LYS 61 -0.866 8.008 4.329 1.00 0.00 ATOM 402 CB LYS 61 -1.985 7.043 3.930 1.00 0.00 ATOM 403 CG LYS 61 -3.297 7.725 3.579 1.00 0.00 ATOM 404 CD LYS 61 -4.387 6.708 3.286 1.00 0.00 ATOM 405 CE LYS 61 -5.680 7.388 2.870 1.00 0.00 ATOM 406 NZ LYS 61 -6.283 8.169 3.986 1.00 0.00 ATOM 407 O LYS 61 0.335 8.795 2.423 1.00 0.00 ATOM 408 C LYS 61 -0.617 8.916 3.130 1.00 0.00 ATOM 409 N LEU 62 -1.442 9.879 2.930 1.00 0.00 ATOM 410 CA LEU 62 -1.157 10.887 1.946 1.00 0.00 ATOM 411 CB LEU 62 -2.399 11.741 1.678 1.00 0.00 ATOM 412 CG LEU 62 -3.586 11.025 1.033 1.00 0.00 ATOM 413 CD1 LEU 62 -4.789 11.951 0.944 1.00 0.00 ATOM 414 CD2 LEU 62 -3.217 10.506 -0.347 1.00 0.00 ATOM 415 O LEU 62 0.258 12.792 1.549 1.00 0.00 ATOM 416 C LEU 62 0.013 11.849 2.298 1.00 0.00 ATOM 417 N LYS 63 0.705 11.677 3.421 1.00 0.00 ATOM 418 CA LYS 63 1.869 12.582 3.677 1.00 0.00 ATOM 419 CB LYS 63 1.862 13.067 5.127 1.00 0.00 ATOM 420 CG LYS 63 0.665 13.932 5.488 1.00 0.00 ATOM 421 CD LYS 63 0.745 14.414 6.927 1.00 0.00 ATOM 422 CE LYS 63 -0.440 15.298 7.280 1.00 0.00 ATOM 423 NZ LYS 63 -0.376 15.775 8.688 1.00 0.00 ATOM 424 O LYS 63 4.277 12.396 3.298 1.00 0.00 ATOM 425 C LYS 63 3.180 11.840 3.350 1.00 0.00 ATOM 429 N LYS 66 5.973 13.503 -0.037 1.00 0.00 ATOM 430 CA LYS 66 6.778 14.639 0.372 1.00 0.00 ATOM 431 CB LYS 66 5.942 15.921 0.360 1.00 0.00 ATOM 432 CG LYS 66 5.540 16.387 -1.030 1.00 0.00 ATOM 433 CD LYS 66 4.710 17.658 -0.968 1.00 0.00 ATOM 434 CE LYS 66 4.318 18.129 -2.359 1.00 0.00 ATOM 435 NZ LYS 66 3.475 19.356 -2.311 1.00 0.00 ATOM 436 O LYS 66 8.371 15.529 1.910 1.00 0.00 ATOM 437 C LYS 66 7.491 14.683 1.708 1.00 0.00 ATOM 438 N HIS 67 7.143 13.799 2.628 1.00 0.00 ATOM 439 CA HIS 67 7.808 13.786 3.930 1.00 0.00 ATOM 440 CB HIS 67 6.777 13.714 5.059 1.00 0.00 ATOM 441 CG HIS 67 5.869 14.903 5.122 1.00 0.00 ATOM 442 CD2 HIS 67 5.825 16.136 5.895 1.00 0.00 ATOM 443 ND1 HIS 67 4.750 15.029 4.327 1.00 0.00 ATOM 444 CE1 HIS 67 4.140 16.194 4.611 1.00 0.00 ATOM 445 NE2 HIS 67 4.780 16.864 5.550 1.00 0.00 ATOM 446 O HIS 67 9.905 12.789 4.664 1.00 0.00 ATOM 447 C HIS 67 8.815 12.602 4.078 1.00 0.00 ATOM 448 N ASN 68 8.460 11.434 3.540 1.00 0.00 ATOM 449 CA ASN 68 9.347 10.254 3.554 1.00 0.00 ATOM 450 CB ASN 68 8.811 9.193 4.516 1.00 0.00 ATOM 451 CG ASN 68 7.460 8.650 4.092 1.00 0.00 ATOM 452 ND2 ASN 68 6.856 7.833 4.947 1.00 0.00 ATOM 453 OD1 ASN 68 6.968 8.963 3.008 1.00 0.00 ATOM 454 O ASN 68 9.958 8.481 1.995 1.00 0.00 ATOM 455 C ASN 68 9.539 9.639 2.147 1.00 0.00 ATOM 456 N ARG 69 9.154 10.368 1.114 1.00 0.00 ATOM 457 CA ARG 69 9.218 9.839 -0.233 1.00 0.00 ATOM 458 CB ARG 69 10.647 9.931 -0.776 1.00 0.00 ATOM 459 CG ARG 69 11.174 11.352 -0.898 1.00 0.00 ATOM 460 CD ARG 69 12.563 11.372 -1.515 1.00 0.00 ATOM 461 NE ARG 69 13.085 12.732 -1.640 1.00 0.00 ATOM 462 CZ ARG 69 14.298 13.027 -2.097 1.00 0.00 ATOM 463 NH1 ARG 69 14.687 14.291 -2.176 1.00 0.00 ATOM 464 NH2 ARG 69 15.117 12.056 -2.476 1.00 0.00 ATOM 465 O ARG 69 9.419 7.587 -0.852 1.00 0.00 ATOM 466 C ARG 69 8.742 8.427 -0.282 1.00 0.00 ATOM 467 N ILE 70 7.579 8.146 0.323 1.00 0.00 ATOM 468 CA ILE 70 6.887 6.852 0.140 1.00 0.00 ATOM 469 CB ILE 70 6.779 6.077 1.467 1.00 0.00 ATOM 470 CG1 ILE 70 8.119 6.096 2.206 1.00 0.00 ATOM 471 CG2 ILE 70 6.289 4.659 1.218 1.00 0.00 ATOM 472 CD1 ILE 70 8.371 4.860 3.041 1.00 0.00 ATOM 473 O ILE 70 4.856 8.102 -0.215 1.00 0.00 ATOM 474 C ILE 70 5.493 7.072 -0.463 1.00 0.00 ATOM 475 N GLY 71 5.017 6.094 -1.238 1.00 0.00 ATOM 476 CA GLY 71 3.747 6.235 -1.915 1.00 0.00 ATOM 477 O GLY 71 3.627 3.932 -1.435 1.00 0.00 ATOM 478 C GLY 71 3.015 4.941 -1.834 1.00 0.00 ATOM 479 N LEU 72 1.739 4.884 -2.231 1.00 0.00 ATOM 480 CA LEU 72 0.994 3.600 -2.036 1.00 0.00 ATOM 481 CB LEU 72 0.032 3.713 -0.851 1.00 0.00 ATOM 482 CG LEU 72 -1.051 4.788 -0.958 1.00 0.00 ATOM 483 CD1 LEU 72 -2.207 4.303 -1.819 1.00 0.00 ATOM 484 CD2 LEU 72 -1.549 5.187 0.423 1.00 0.00 ATOM 485 O LEU 72 -0.254 4.001 -4.038 1.00 0.00 ATOM 486 C LEU 72 0.200 3.145 -3.261 1.00 0.00 ATOM 487 N TRP 73 -0.094 1.868 -3.386 1.00 0.00 ATOM 488 CA TRP 73 -1.037 1.502 -4.426 1.00 0.00 ATOM 489 CB TRP 73 -0.482 1.867 -5.805 1.00 0.00 ATOM 490 CG TRP 73 -1.459 1.656 -6.919 1.00 0.00 ATOM 491 CD1 TRP 73 -1.346 0.769 -7.951 1.00 0.00 ATOM 492 CD2 TRP 73 -2.701 2.345 -7.115 1.00 0.00 ATOM 493 CE2 TRP 73 -3.285 1.824 -8.284 1.00 0.00 ATOM 494 CE3 TRP 73 -3.374 3.350 -6.416 1.00 0.00 ATOM 495 NE1 TRP 73 -2.439 0.862 -8.778 1.00 0.00 ATOM 496 CZ2 TRP 73 -4.511 2.274 -8.770 1.00 0.00 ATOM 497 CZ3 TRP 73 -4.590 3.795 -6.902 1.00 0.00 ATOM 498 CH2 TRP 73 -5.148 3.257 -8.067 1.00 0.00 ATOM 499 O TRP 73 -0.877 -0.649 -3.541 1.00 0.00 ATOM 500 C TRP 73 -1.372 0.043 -4.391 1.00 0.00 ATOM 501 N ASP 74 -2.181 -0.512 -5.254 1.00 0.00 ATOM 502 CA ASP 74 -2.337 -1.980 -5.090 1.00 0.00 ATOM 503 CB ASP 74 -3.570 -2.297 -4.244 1.00 0.00 ATOM 504 CG ASP 74 -3.422 -1.845 -2.804 1.00 0.00 ATOM 505 OD1 ASP 74 -2.286 -1.883 -2.285 1.00 0.00 ATOM 506 OD2 ASP 74 -4.440 -1.454 -2.195 1.00 0.00 ATOM 507 O ASP 74 -2.742 -1.849 -7.342 1.00 0.00 ATOM 508 C ASP 74 -2.423 -2.549 -6.406 1.00 0.00 ATOM 509 N VAL 75 -2.226 -3.841 -6.457 1.00 0.00 ATOM 510 CA VAL 75 -2.108 -4.516 -7.700 1.00 0.00 ATOM 511 CB VAL 75 -1.555 -5.940 -7.519 1.00 0.00 ATOM 512 CG1 VAL 75 -1.617 -6.708 -8.831 1.00 0.00 ATOM 513 CG2 VAL 75 -0.130 -5.897 -6.990 1.00 0.00 ATOM 514 O VAL 75 -3.607 -3.980 -9.396 1.00 0.00 ATOM 515 C VAL 75 -3.443 -4.512 -8.311 1.00 0.00 ATOM 516 N PHE 76 -4.386 -5.112 -7.591 1.00 0.00 ATOM 517 CA PHE 76 -5.807 -5.122 -7.983 1.00 0.00 ATOM 518 CB PHE 76 -6.406 -6.516 -7.791 1.00 0.00 ATOM 519 CG PHE 76 -7.848 -6.620 -8.205 1.00 0.00 ATOM 520 CD1 PHE 76 -8.192 -6.760 -9.538 1.00 0.00 ATOM 521 CD2 PHE 76 -8.858 -6.576 -7.261 1.00 0.00 ATOM 522 CE1 PHE 76 -9.518 -6.854 -9.917 1.00 0.00 ATOM 523 CE2 PHE 76 -10.183 -6.670 -7.641 1.00 0.00 ATOM 524 CZ PHE 76 -10.516 -6.809 -8.962 1.00 0.00 ATOM 525 O PHE 76 -6.048 -3.631 -6.143 1.00 0.00 ATOM 526 C PHE 76 -6.551 -4.099 -7.175 1.00 0.00 ATOM 527 N LYS 77 -7.720 -3.719 -7.647 1.00 0.00 ATOM 528 CA LYS 77 -8.314 -2.493 -7.168 1.00 0.00 ATOM 529 CB LYS 77 -8.352 -1.445 -8.282 1.00 0.00 ATOM 530 CG LYS 77 -8.912 -0.100 -7.849 1.00 0.00 ATOM 531 CD LYS 77 -8.833 0.919 -8.973 1.00 0.00 ATOM 532 CE LYS 77 -9.407 2.260 -8.547 1.00 0.00 ATOM 533 NZ LYS 77 -9.342 3.267 -9.642 1.00 0.00 ATOM 534 O LYS 77 -10.103 -1.899 -5.724 1.00 0.00 ATOM 535 C LYS 77 -9.728 -2.653 -6.610 1.00 0.00 ATOM 536 N ALA 78 -10.502 -3.622 -7.092 1.00 0.00 ATOM 537 CA ALA 78 -11.750 -4.039 -6.439 1.00 0.00 ATOM 538 CB ALA 78 -12.274 -5.321 -7.069 1.00 0.00 ATOM 539 O ALA 78 -10.575 -4.778 -4.490 1.00 0.00 ATOM 540 C ALA 78 -11.588 -4.245 -4.935 1.00 0.00 ATOM 541 N GLY 79 -12.602 -3.863 -4.154 1.00 0.00 ATOM 542 CA GLY 79 -12.641 -4.222 -2.739 1.00 0.00 ATOM 543 O GLY 79 -14.082 -6.068 -3.100 1.00 0.00 ATOM 544 C GLY 79 -13.130 -5.633 -2.509 1.00 0.00 ATOM 548 N SER 84 -8.238 -14.106 -0.679 1.00 0.00 ATOM 549 CA SER 84 -8.296 -15.378 -1.307 1.00 0.00 ATOM 550 CB SER 84 -8.353 -16.491 -0.258 1.00 0.00 ATOM 551 OG SER 84 -9.562 -16.437 0.479 1.00 0.00 ATOM 552 O SER 84 -10.002 -16.526 -2.592 1.00 0.00 ATOM 553 C SER 84 -9.527 -15.427 -2.237 1.00 0.00 ATOM 554 N GLN 85 -10.029 -14.246 -2.637 1.00 0.00 ATOM 555 CA GLN 85 -11.235 -14.178 -3.509 1.00 0.00 ATOM 556 CB GLN 85 -12.470 -13.806 -2.688 1.00 0.00 ATOM 557 CG GLN 85 -12.827 -14.817 -1.612 1.00 0.00 ATOM 558 CD GLN 85 -13.241 -16.157 -2.187 1.00 0.00 ATOM 559 OE1 GLN 85 -14.033 -16.224 -3.126 1.00 0.00 ATOM 560 NE2 GLN 85 -12.703 -17.233 -1.624 1.00 0.00 ATOM 561 O GLN 85 -12.224 -12.957 -5.355 1.00 0.00 ATOM 562 C GLN 85 -11.181 -13.207 -4.696 1.00 0.00 ATOM 563 N ASP 86 -9.975 -12.676 -4.940 1.00 0.00 ATOM 564 CA ASP 86 -9.601 -12.050 -6.208 1.00 0.00 ATOM 565 CB ASP 86 -8.293 -11.269 -6.056 1.00 0.00 ATOM 566 CG ASP 86 -7.933 -10.487 -7.303 1.00 0.00 ATOM 567 OD1 ASP 86 -8.386 -10.877 -8.401 1.00 0.00 ATOM 568 OD2 ASP 86 -7.197 -9.486 -7.185 1.00 0.00 ATOM 569 O ASP 86 -8.737 -14.111 -7.157 1.00 0.00 ATOM 570 C ASP 86 -9.466 -13.115 -7.318 1.00 0.00 ATOM 571 N SER 87 -10.175 -12.913 -8.427 1.00 0.00 ATOM 572 CA SER 87 -10.222 -13.884 -9.523 1.00 0.00 ATOM 573 CB SER 87 -11.076 -13.353 -10.675 1.00 0.00 ATOM 574 OG SER 87 -10.405 -13.492 -11.914 1.00 0.00 ATOM 575 O SER 87 -7.783 -13.554 -9.775 1.00 0.00 ATOM 576 C SER 87 -8.822 -14.262 -10.071 1.00 0.00 ATOM 577 N LYS 88 -8.777 -15.367 -10.851 1.00 0.00 ATOM 578 CA LYS 88 -7.517 -15.740 -11.537 1.00 0.00 ATOM 579 CB LYS 88 -7.711 -17.019 -12.356 1.00 0.00 ATOM 580 CG LYS 88 -6.454 -17.499 -13.063 1.00 0.00 ATOM 581 CD LYS 88 -6.700 -18.808 -13.797 1.00 0.00 ATOM 582 CE LYS 88 -5.450 -19.276 -14.524 1.00 0.00 ATOM 583 NZ LYS 88 -5.676 -20.558 -15.248 1.00 0.00 ATOM 584 O LYS 88 -6.015 -13.872 -12.133 1.00 0.00 ATOM 585 C LYS 88 -7.042 -14.575 -12.445 1.00 0.00 ATOM 586 N ILE 89 -7.845 -14.364 -13.513 1.00 0.00 ATOM 587 CA ILE 89 -7.865 -13.154 -14.364 1.00 0.00 ATOM 588 CB ILE 89 -9.250 -12.934 -15.000 1.00 0.00 ATOM 589 CG1 ILE 89 -9.629 -14.128 -15.880 1.00 0.00 ATOM 590 CG2 ILE 89 -9.279 -11.627 -15.775 1.00 0.00 ATOM 591 CD1 ILE 89 -8.673 -14.369 -17.027 1.00 0.00 ATOM 592 O ILE 89 -6.273 -11.594 -13.428 1.00 0.00 ATOM 593 C ILE 89 -7.459 -11.851 -13.612 1.00 0.00 ATOM 594 N GLY 90 -8.439 -11.072 -13.152 1.00 0.00 ATOM 595 CA GLY 90 -8.224 -9.883 -12.301 1.00 0.00 ATOM 596 O GLY 90 -6.257 -8.480 -12.476 1.00 0.00 ATOM 597 C GLY 90 -6.760 -9.488 -11.983 1.00 0.00 ATOM 598 N ASP 91 -6.118 -10.288 -11.139 1.00 0.00 ATOM 599 CA ASP 91 -4.685 -10.234 -10.874 1.00 0.00 ATOM 600 CB ASP 91 -4.217 -11.523 -10.194 1.00 0.00 ATOM 601 CG ASP 91 -4.697 -11.631 -8.759 1.00 0.00 ATOM 602 OD1 ASP 91 -5.153 -10.610 -8.207 1.00 0.00 ATOM 603 OD2 ASP 91 -4.618 -12.740 -8.190 1.00 0.00 ATOM 604 O ASP 91 -2.915 -9.107 -12.112 1.00 0.00 ATOM 605 C ASP 91 -3.788 -10.004 -12.107 1.00 0.00 ATOM 606 N GLU 92 -3.939 -10.842 -13.121 1.00 0.00 ATOM 607 CA GLU 92 -3.188 -10.584 -14.331 1.00 0.00 ATOM 608 CB GLU 92 -3.586 -11.573 -15.428 1.00 0.00 ATOM 609 CG GLU 92 -2.804 -11.412 -16.721 1.00 0.00 ATOM 610 CD GLU 92 -3.182 -12.445 -17.763 1.00 0.00 ATOM 611 OE1 GLU 92 -4.072 -13.275 -17.483 1.00 0.00 ATOM 612 OE2 GLU 92 -2.589 -12.426 -18.862 1.00 0.00 ATOM 613 O GLU 92 -2.580 -8.270 -14.583 1.00 0.00 ATOM 614 C GLU 92 -3.464 -9.122 -14.738 1.00 0.00 ATOM 615 N GLU 93 -4.691 -8.813 -15.188 1.00 0.00 ATOM 616 CA GLU 93 -5.023 -7.439 -15.632 1.00 0.00 ATOM 617 CB GLU 93 -6.527 -7.307 -15.888 1.00 0.00 ATOM 618 CG GLU 93 -7.227 -8.627 -16.161 1.00 0.00 ATOM 619 CD GLU 93 -8.685 -8.447 -16.540 1.00 0.00 ATOM 620 OE1 GLU 93 -9.554 -8.637 -15.663 1.00 0.00 ATOM 621 OE2 GLU 93 -8.957 -8.114 -17.712 1.00 0.00 ATOM 622 O GLU 93 -4.259 -5.240 -15.012 1.00 0.00 ATOM 623 C GLU 93 -4.595 -6.367 -14.639 1.00 0.00 ATOM 624 N ILE 94 -4.584 -6.739 -13.368 1.00 0.00 ATOM 625 CA ILE 94 -4.205 -5.812 -12.325 1.00 0.00 ATOM 626 CB ILE 94 -4.310 -6.459 -10.931 1.00 0.00 ATOM 627 CG1 ILE 94 -5.765 -6.810 -10.614 1.00 0.00 ATOM 628 CG2 ILE 94 -3.702 -5.549 -9.874 1.00 0.00 ATOM 629 CD1 ILE 94 -6.682 -5.607 -10.550 1.00 0.00 ATOM 630 O ILE 94 -2.531 -4.213 -12.764 1.00 0.00 ATOM 631 C ILE 94 -2.815 -5.397 -12.687 1.00 0.00 ATOM 632 N ASN 95 -1.979 -6.400 -12.961 1.00 0.00 ATOM 633 CA ASN 95 -0.534 -6.233 -13.138 1.00 0.00 ATOM 634 CB ASN 95 0.158 -7.597 -13.205 1.00 0.00 ATOM 635 CG ASN 95 0.223 -8.283 -11.854 1.00 0.00 ATOM 636 ND2 ASN 95 -0.091 -9.573 -11.832 1.00 0.00 ATOM 637 OD1 ASN 95 0.553 -7.659 -10.846 1.00 0.00 ATOM 638 O ASN 95 0.799 -4.651 -14.313 1.00 0.00 ATOM 639 C ASN 95 -0.154 -5.429 -14.358 1.00 0.00 ATOM 640 N ASP 96 -0.918 -5.587 -15.434 1.00 0.00 ATOM 641 CA ASP 96 -0.756 -4.706 -16.566 1.00 0.00 ATOM 642 CB ASP 96 -1.762 -5.056 -17.665 1.00 0.00 ATOM 643 CG ASP 96 -1.433 -6.361 -18.362 1.00 0.00 ATOM 644 OD1 ASP 96 -0.300 -6.855 -18.191 1.00 0.00 ATOM 645 OD2 ASP 96 -2.307 -6.888 -19.080 1.00 0.00 ATOM 646 O ASP 96 -0.029 -2.455 -16.303 1.00 0.00 ATOM 647 C ASP 96 -0.927 -3.266 -16.101 1.00 0.00 ATOM 648 N PHE 97 -2.002 -2.929 -15.406 1.00 0.00 ATOM 649 CA PHE 97 -2.089 -1.534 -14.972 1.00 0.00 ATOM 650 CB PHE 97 -3.424 -1.272 -14.273 1.00 0.00 ATOM 651 CG PHE 97 -4.594 -1.190 -15.213 1.00 0.00 ATOM 652 CD1 PHE 97 -5.583 -2.157 -15.193 1.00 0.00 ATOM 653 CD2 PHE 97 -4.704 -0.147 -16.115 1.00 0.00 ATOM 654 CE1 PHE 97 -6.659 -2.082 -16.058 1.00 0.00 ATOM 655 CE2 PHE 97 -5.780 -0.072 -16.979 1.00 0.00 ATOM 656 CZ PHE 97 -6.756 -1.035 -16.952 1.00 0.00 ATOM 657 O PHE 97 -0.341 -0.122 -14.152 1.00 0.00 ATOM 658 C PHE 97 -0.931 -1.175 -14.043 1.00 0.00 ATOM 659 N SER 98 -0.568 -2.074 -13.149 1.00 0.00 ATOM 660 CA SER 98 0.382 -1.704 -12.117 1.00 0.00 ATOM 661 CB SER 98 0.501 -2.817 -11.074 1.00 0.00 ATOM 662 OG SER 98 1.050 -3.992 -11.643 1.00 0.00 ATOM 663 O SER 98 2.465 -0.504 -12.397 1.00 0.00 ATOM 664 C SER 98 1.715 -1.416 -12.787 1.00 0.00 ATOM 665 N GLY 99 2.040 -2.183 -13.820 1.00 0.00 ATOM 666 CA GLY 99 3.320 -1.932 -14.431 1.00 0.00 ATOM 667 O GLY 99 4.227 0.281 -14.551 1.00 0.00 ATOM 668 C GLY 99 3.327 -0.503 -14.939 1.00 0.00 ATOM 669 N LEU 100 2.295 -0.167 -15.746 1.00 0.00 ATOM 670 CA LEU 100 2.202 1.142 -16.379 1.00 0.00 ATOM 671 CB LEU 100 0.840 1.314 -17.055 1.00 0.00 ATOM 672 CG LEU 100 0.586 2.659 -17.738 1.00 0.00 ATOM 673 CD1 LEU 100 1.583 2.888 -18.863 1.00 0.00 ATOM 674 CD2 LEU 100 -0.837 2.734 -18.266 1.00 0.00 ATOM 675 O LEU 100 3.213 3.173 -15.654 1.00 0.00 ATOM 676 C LEU 100 2.420 2.274 -15.398 1.00 0.00 ATOM 677 N LYS 101 1.749 2.218 -14.261 1.00 0.00 ATOM 678 CA LYS 101 1.985 3.191 -13.240 1.00 0.00 ATOM 679 CB LYS 101 1.158 2.872 -11.994 1.00 0.00 ATOM 680 CG LYS 101 -0.199 3.558 -11.957 1.00 0.00 ATOM 681 CD LYS 101 -1.059 3.019 -10.825 1.00 0.00 ATOM 682 CE LYS 101 -2.527 2.983 -11.218 1.00 0.00 ATOM 683 NZ LYS 101 -3.403 2.654 -10.058 1.00 0.00 ATOM 684 O LYS 101 3.990 4.405 -12.753 1.00 0.00 ATOM 685 C LYS 101 3.447 3.298 -12.852 1.00 0.00 ATOM 686 N GLU 102 4.082 2.155 -12.592 1.00 0.00 ATOM 687 CA GLU 102 5.489 2.212 -12.162 1.00 0.00 ATOM 688 CB GLU 102 5.968 0.831 -11.709 1.00 0.00 ATOM 689 CG GLU 102 5.316 0.338 -10.427 1.00 0.00 ATOM 690 CD GLU 102 5.630 1.222 -9.237 1.00 0.00 ATOM 691 OE1 GLU 102 6.617 1.985 -9.306 1.00 0.00 ATOM 692 OE2 GLU 102 4.889 1.154 -8.234 1.00 0.00 ATOM 693 O GLU 102 7.401 3.424 -13.042 1.00 0.00 ATOM 694 C GLU 102 6.399 2.743 -13.294 1.00 0.00 ATOM 695 N MET 103 6.051 2.473 -14.542 1.00 0.00 ATOM 696 CA MET 103 6.793 3.148 -15.608 1.00 0.00 ATOM 697 CB MET 103 6.576 2.436 -16.946 1.00 0.00 ATOM 698 CG MET 103 7.193 1.048 -17.016 1.00 0.00 ATOM 699 SD MET 103 6.854 0.216 -18.579 1.00 0.00 ATOM 700 CE MET 103 7.888 1.159 -19.696 1.00 0.00 ATOM 701 O MET 103 7.086 5.408 -16.154 1.00 0.00 ATOM 702 C MET 103 6.356 4.589 -15.687 1.00 0.00 ATOM 703 N VAL 104 5.174 4.917 -15.195 1.00 0.00 ATOM 704 CA VAL 104 4.785 6.321 -15.205 1.00 0.00 ATOM 705 CB VAL 104 3.285 6.492 -14.896 1.00 0.00 ATOM 706 CG1 VAL 104 2.941 7.963 -14.728 1.00 0.00 ATOM 707 CG2 VAL 104 2.440 5.865 -15.994 1.00 0.00 ATOM 708 O VAL 104 6.193 8.105 -14.536 1.00 0.00 ATOM 709 C VAL 104 5.638 7.064 -14.199 1.00 0.00 ATOM 710 N PRO 105 5.748 6.504 -12.991 1.00 0.00 ATOM 711 CA PRO 105 6.220 7.229 -11.822 1.00 0.00 ATOM 712 CB PRO 105 5.258 6.808 -10.710 1.00 0.00 ATOM 713 CG PRO 105 4.005 6.426 -11.425 1.00 0.00 ATOM 714 CD PRO 105 4.440 5.766 -12.703 1.00 0.00 ATOM 715 O PRO 105 8.305 7.709 -10.839 1.00 0.00 ATOM 716 C PRO 105 7.642 6.895 -11.445 1.00 0.00 ATOM 717 N LYS 106 8.091 5.690 -11.756 1.00 0.00 ATOM 718 CA LYS 106 9.488 5.300 -11.558 1.00 0.00 ATOM 719 CB LYS 106 10.391 6.012 -12.567 1.00 0.00 ATOM 720 CG LYS 106 10.050 5.721 -14.019 1.00 0.00 ATOM 721 CD LYS 106 11.003 6.434 -14.964 1.00 0.00 ATOM 722 CE LYS 106 10.725 6.065 -16.412 1.00 0.00 ATOM 723 NZ LYS 106 9.402 6.573 -16.870 1.00 0.00 ATOM 724 O LYS 106 11.149 6.284 -10.054 1.00 0.00 ATOM 725 C LYS 106 10.138 5.529 -10.182 1.00 0.00 ATOM 726 N LEU 107 9.566 4.892 -9.134 1.00 0.00 ATOM 727 CA LEU 107 10.210 5.005 -7.796 1.00 0.00 ATOM 728 CB LEU 107 9.266 4.502 -6.703 1.00 0.00 ATOM 729 CG LEU 107 8.273 5.520 -6.144 1.00 0.00 ATOM 730 CD1 LEU 107 7.380 6.065 -7.248 1.00 0.00 ATOM 731 CD2 LEU 107 7.427 4.900 -5.041 1.00 0.00 ATOM 732 O LEU 107 11.589 3.170 -8.392 1.00 0.00 ATOM 733 C LEU 107 11.505 4.230 -7.780 1.00 0.00 ATOM 734 N ARG 108 12.505 4.708 -7.068 1.00 0.00 ATOM 735 CA ARG 108 13.651 3.885 -6.830 1.00 0.00 ATOM 736 CB ARG 108 14.432 4.392 -5.617 1.00 0.00 ATOM 737 CG ARG 108 14.898 5.834 -5.736 1.00 0.00 ATOM 738 CD ARG 108 15.730 6.247 -4.533 1.00 0.00 ATOM 739 NE ARG 108 16.257 7.602 -4.672 1.00 0.00 ATOM 740 CZ ARG 108 15.502 8.695 -4.720 1.00 0.00 ATOM 741 NH1 ARG 108 16.070 9.888 -4.847 1.00 0.00 ATOM 742 NH2 ARG 108 14.184 8.595 -4.642 1.00 0.00 ATOM 743 O ARG 108 13.738 1.570 -7.381 1.00 0.00 ATOM 744 C ARG 108 13.238 2.426 -6.623 1.00 0.00 ATOM 745 N LEU 109 12.300 2.107 -5.711 1.00 0.00 ATOM 746 CA LEU 109 11.873 0.685 -5.563 1.00 0.00 ATOM 747 CB LEU 109 12.557 0.043 -4.355 1.00 0.00 ATOM 748 CG LEU 109 12.257 0.672 -2.993 1.00 0.00 ATOM 749 CD1 LEU 109 10.940 0.150 -2.438 1.00 0.00 ATOM 750 CD2 LEU 109 13.388 0.398 -2.014 1.00 0.00 ATOM 751 O LEU 109 9.654 1.236 -4.755 1.00 0.00 ATOM 752 C LEU 109 10.374 0.446 -5.416 1.00 0.00 ATOM 753 N ILE 110 9.982 -0.711 -5.919 1.00 0.00 ATOM 754 CA ILE 110 8.702 -1.192 -5.866 1.00 0.00 ATOM 755 CB ILE 110 8.239 -1.718 -7.237 1.00 0.00 ATOM 756 CG1 ILE 110 8.305 -0.606 -8.286 1.00 0.00 ATOM 757 CG2 ILE 110 6.845 -2.320 -7.134 1.00 0.00 ATOM 758 CD1 ILE 110 8.067 -1.086 -9.700 1.00 0.00 ATOM 759 O ILE 110 8.778 -3.534 -5.114 1.00 0.00 ATOM 760 C ILE 110 8.607 -2.310 -4.790 1.00 0.00 ATOM 761 N CYS 111 8.239 -1.949 -3.535 1.00 0.00 ATOM 762 CA CYS 111 7.998 -3.039 -2.568 1.00 0.00 ATOM 763 CB CYS 111 7.965 -2.490 -1.139 1.00 0.00 ATOM 764 SG CYS 111 7.690 -3.742 0.135 1.00 0.00 ATOM 765 O CYS 111 5.626 -3.273 -2.745 1.00 0.00 ATOM 766 C CYS 111 6.699 -3.838 -2.799 1.00 0.00 ATOM 767 N PHE 112 6.755 -5.141 -3.022 1.00 0.00 ATOM 768 CA PHE 112 5.506 -5.862 -3.003 1.00 0.00 ATOM 769 CB PHE 112 5.557 -7.044 -3.974 1.00 0.00 ATOM 770 CG PHE 112 5.777 -6.644 -5.405 1.00 0.00 ATOM 771 CD1 PHE 112 6.918 -5.956 -5.777 1.00 0.00 ATOM 772 CD2 PHE 112 4.844 -6.958 -6.377 1.00 0.00 ATOM 773 CE1 PHE 112 7.120 -5.589 -7.095 1.00 0.00 ATOM 774 CE2 PHE 112 5.047 -6.590 -7.694 1.00 0.00 ATOM 775 CZ PHE 112 6.180 -5.909 -8.055 1.00 0.00 ATOM 776 O PHE 112 5.878 -7.168 -1.016 1.00 0.00 ATOM 777 C PHE 112 5.190 -6.344 -1.601 1.00 0.00 ATOM 778 N ASN 113 4.102 -5.827 -1.056 1.00 0.00 ATOM 779 CA ASN 113 3.562 -6.353 0.172 1.00 0.00 ATOM 780 CB ASN 113 2.498 -5.410 0.738 1.00 0.00 ATOM 781 CG ASN 113 2.285 -5.599 2.226 1.00 0.00 ATOM 782 ND2 ASN 113 2.047 -4.501 2.933 1.00 0.00 ATOM 783 OD1 ASN 113 2.334 -6.719 2.732 1.00 0.00 ATOM 784 O ASN 113 1.845 -7.931 -0.347 1.00 0.00 ATOM 785 C ASN 113 2.966 -7.751 0.039 1.00 0.00 ATOM 786 N GLY 114 3.738 -8.747 0.392 1.00 0.00 ATOM 787 CA GLY 114 3.217 -10.094 0.444 1.00 0.00 ATOM 788 O GLY 114 3.959 -10.116 -1.777 1.00 0.00 ATOM 789 C GLY 114 3.678 -10.783 -0.801 1.00 0.00 ATOM 793 N ALA 117 1.193 -11.669 -4.642 1.00 0.00 ATOM 794 CA ALA 117 1.146 -10.650 -5.679 1.00 0.00 ATOM 795 CB ALA 117 1.084 -9.263 -5.056 1.00 0.00 ATOM 796 O ALA 117 2.160 -11.178 -7.797 1.00 0.00 ATOM 797 C ALA 117 2.349 -10.739 -6.623 1.00 0.00 ATOM 798 N GLY 118 3.551 -10.381 -6.122 1.00 0.00 ATOM 799 CA GLY 118 4.783 -10.610 -6.864 1.00 0.00 ATOM 800 O GLY 118 4.992 -12.168 -8.613 1.00 0.00 ATOM 801 C GLY 118 4.823 -11.996 -7.429 1.00 0.00 ATOM 802 N GLU 119 4.678 -12.986 -6.574 1.00 0.00 ATOM 803 CA GLU 119 4.531 -14.340 -7.036 1.00 0.00 ATOM 804 CB GLU 119 3.804 -15.188 -5.989 1.00 0.00 ATOM 805 CG GLU 119 4.240 -16.643 -5.959 1.00 0.00 ATOM 806 CD GLU 119 3.995 -17.297 -4.613 1.00 0.00 ATOM 807 OE1 GLU 119 4.647 -18.322 -4.323 1.00 0.00 ATOM 808 OE2 GLU 119 3.152 -16.782 -3.848 1.00 0.00 ATOM 809 O GLU 119 4.217 -14.990 -9.288 1.00 0.00 ATOM 810 C GLU 119 3.788 -14.354 -8.348 1.00 0.00 ATOM 811 N TYR 120 2.691 -13.607 -8.418 1.00 0.00 ATOM 812 CA TYR 120 1.837 -13.584 -9.608 1.00 0.00 ATOM 813 CB TYR 120 0.378 -13.343 -9.217 1.00 0.00 ATOM 814 CG TYR 120 -0.245 -14.483 -8.444 1.00 0.00 ATOM 815 CD1 TYR 120 -0.595 -14.331 -7.108 1.00 0.00 ATOM 816 CD2 TYR 120 -0.484 -15.708 -9.053 1.00 0.00 ATOM 817 CE1 TYR 120 -1.166 -15.367 -6.395 1.00 0.00 ATOM 818 CE2 TYR 120 -1.054 -16.757 -8.354 1.00 0.00 ATOM 819 CZ TYR 120 -1.394 -16.575 -7.015 1.00 0.00 ATOM 820 OH TYR 120 -1.963 -17.610 -6.305 1.00 0.00 ATOM 821 O TYR 120 2.197 -12.828 -11.855 1.00 0.00 ATOM 822 C TYR 120 2.232 -12.539 -10.652 1.00 0.00 ATOM 823 N GLU 121 2.596 -11.345 -10.182 1.00 0.00 ATOM 824 CA GLU 121 3.132 -10.251 -11.003 1.00 0.00 ATOM 825 CB GLU 121 3.600 -9.094 -10.118 1.00 0.00 ATOM 826 CG GLU 121 4.003 -7.848 -10.888 1.00 0.00 ATOM 827 CD GLU 121 5.426 -7.916 -11.403 1.00 0.00 ATOM 828 OE1 GLU 121 6.240 -8.653 -10.806 1.00 0.00 ATOM 829 OE2 GLU 121 5.729 -7.235 -12.406 1.00 0.00 ATOM 830 O GLU 121 4.258 -10.553 -13.065 1.00 0.00 ATOM 831 C GLU 121 4.259 -10.736 -11.862 1.00 0.00 ATOM 832 N PRO 122 5.237 -11.351 -11.210 1.00 0.00 ATOM 833 CA PRO 122 6.349 -11.970 -11.881 1.00 0.00 ATOM 834 CB PRO 122 7.187 -12.557 -10.743 1.00 0.00 ATOM 835 CG PRO 122 6.878 -11.692 -9.567 1.00 0.00 ATOM 836 CD PRO 122 5.419 -11.349 -9.673 1.00 0.00 ATOM 837 O PRO 122 6.335 -13.147 -13.948 1.00 0.00 ATOM 838 C PRO 122 5.849 -13.027 -12.817 1.00 0.00 ATOM 839 N LEU 123 4.896 -13.819 -12.344 1.00 0.00 ATOM 840 CA LEU 123 4.413 -14.926 -13.191 1.00 0.00 ATOM 841 CB LEU 123 3.296 -15.695 -12.483 1.00 0.00 ATOM 842 CG LEU 123 2.665 -16.848 -13.266 1.00 0.00 ATOM 843 CD1 LEU 123 3.702 -17.912 -13.585 1.00 0.00 ATOM 844 CD2 LEU 123 1.506 -17.455 -12.488 1.00 0.00 ATOM 845 O LEU 123 4.321 -14.837 -15.600 1.00 0.00 ATOM 846 C LEU 123 3.937 -14.324 -14.522 1.00 0.00 ATOM 847 N LEU 124 3.155 -13.217 -14.403 1.00 0.00 ATOM 848 CA LEU 124 2.693 -12.400 -15.539 1.00 0.00 ATOM 849 CB LEU 124 1.591 -11.437 -15.093 1.00 0.00 ATOM 850 CG LEU 124 1.018 -10.516 -16.172 1.00 0.00 ATOM 851 CD1 LEU 124 0.386 -11.328 -17.292 1.00 0.00 ATOM 852 CD2 LEU 124 0.000 -9.557 -15.574 1.00 0.00 ATOM 853 O LEU 124 4.127 -11.881 -17.358 1.00 0.00 ATOM 854 C LEU 124 3.778 -11.572 -16.243 1.00 0.00 ATOM 855 N ARG 125 4.303 -10.529 -15.611 1.00 0.00 ATOM 856 CA ARG 125 5.201 -9.578 -16.292 1.00 0.00 ATOM 857 CB ARG 125 5.676 -8.498 -15.318 1.00 0.00 ATOM 858 CG ARG 125 6.623 -7.480 -15.934 1.00 0.00 ATOM 859 CD ARG 125 5.909 -6.604 -16.949 1.00 0.00 ATOM 860 NE ARG 125 4.903 -5.749 -16.322 1.00 0.00 ATOM 861 CZ ARG 125 4.017 -5.020 -16.996 1.00 0.00 ATOM 862 NH1 ARG 125 3.139 -4.272 -16.341 1.00 0.00 ATOM 863 NH2 ARG 125 4.012 -5.041 -18.321 1.00 0.00 ATOM 864 O ARG 125 6.718 -9.926 -18.108 1.00 0.00 ATOM 865 C ARG 125 6.442 -10.186 -16.943 1.00 0.00 ATOM 866 N GLY 126 10.844 -21.445 -5.094 1.00 0.00 ATOM 867 CA GLY 126 11.151 -20.992 -3.720 1.00 0.00 ATOM 868 O GLY 126 12.514 -19.106 -3.154 1.00 0.00 ATOM 869 C GLY 126 11.394 -19.513 -3.457 1.00 0.00 ATOM 870 N MET 127 10.371 -18.695 -3.583 1.00 0.00 ATOM 871 CA MET 127 10.656 -17.273 -3.489 1.00 0.00 ATOM 872 CB MET 127 9.383 -16.456 -3.716 1.00 0.00 ATOM 873 CG MET 127 9.604 -14.951 -3.719 1.00 0.00 ATOM 874 SD MET 127 8.097 -14.027 -4.081 1.00 0.00 ATOM 875 CE MET 127 7.835 -14.465 -5.798 1.00 0.00 ATOM 876 O MET 127 10.878 -17.481 -1.124 1.00 0.00 ATOM 877 C MET 127 11.267 -16.933 -2.138 1.00 0.00 ATOM 878 N GLY 128 12.248 -16.059 -2.121 1.00 0.00 ATOM 879 CA GLY 128 12.677 -15.521 -0.849 1.00 0.00 ATOM 880 O GLY 128 11.874 -13.414 -1.723 1.00 0.00 ATOM 881 C GLY 128 12.108 -14.115 -0.741 1.00 0.00 ATOM 882 N TYR 129 11.885 -13.676 0.461 1.00 0.00 ATOM 883 CA TYR 129 11.712 -12.258 0.611 1.00 0.00 ATOM 884 CB TYR 129 11.303 -11.916 2.045 1.00 0.00 ATOM 885 CG TYR 129 12.348 -12.267 3.079 1.00 0.00 ATOM 886 CD1 TYR 129 13.363 -11.375 3.397 1.00 0.00 ATOM 887 CD2 TYR 129 12.315 -13.490 3.737 1.00 0.00 ATOM 888 CE1 TYR 129 14.322 -11.686 4.341 1.00 0.00 ATOM 889 CE2 TYR 129 13.266 -13.821 4.684 1.00 0.00 ATOM 890 CZ TYR 129 14.273 -12.906 4.983 1.00 0.00 ATOM 891 OH TYR 129 15.228 -13.218 5.924 1.00 0.00 ATOM 892 O TYR 129 14.066 -12.091 0.363 1.00 0.00 ATOM 893 C TYR 129 13.006 -11.560 0.225 1.00 0.00 ATOM 894 N GLU 130 12.855 -10.387 -0.344 1.00 0.00 ATOM 895 CA GLU 130 13.920 -9.423 -0.528 1.00 0.00 ATOM 896 CB GLU 130 15.248 -9.991 -0.025 1.00 0.00 ATOM 897 CG GLU 130 16.416 -9.023 -0.131 1.00 0.00 ATOM 898 CD GLU 130 16.258 -7.818 0.774 1.00 0.00 ATOM 899 OE1 GLU 130 15.896 -8.004 1.955 1.00 0.00 ATOM 900 OE2 GLU 130 16.496 -6.687 0.301 1.00 0.00 ATOM 901 O GLU 130 13.156 -9.450 -2.830 1.00 0.00 ATOM 902 C GLU 130 14.014 -9.043 -1.994 1.00 0.00 ATOM 903 N THR 131 15.091 -8.301 -2.302 1.00 0.00 ATOM 904 CA THR 131 15.480 -7.948 -3.672 1.00 0.00 ATOM 905 CB THR 131 16.957 -7.521 -3.748 1.00 0.00 ATOM 906 CG2 THR 131 17.331 -7.145 -5.173 1.00 0.00 ATOM 907 OG1 THR 131 17.172 -6.385 -2.902 1.00 0.00 ATOM 908 O THR 131 15.491 -10.222 -4.379 1.00 0.00 ATOM 909 C THR 131 15.272 -9.041 -4.658 1.00 0.00 ATOM 910 N LYS 132 14.875 -8.652 -5.841 1.00 0.00 ATOM 911 CA LYS 132 14.587 -9.653 -6.841 1.00 0.00 ATOM 912 CB LYS 132 13.099 -9.642 -7.196 1.00 0.00 ATOM 913 CG LYS 132 12.184 -10.043 -6.050 1.00 0.00 ATOM 914 CD LYS 132 10.729 -10.066 -6.488 1.00 0.00 ATOM 915 CE LYS 132 9.811 -10.445 -5.336 1.00 0.00 ATOM 916 NZ LYS 132 8.381 -10.466 -5.750 1.00 0.00 ATOM 917 O LYS 132 15.955 -8.289 -8.262 1.00 0.00 ATOM 918 C LYS 132 15.445 -9.402 -8.080 1.00 0.00 ATOM 919 N VAL 133 15.631 -10.413 -8.917 1.00 0.00 ATOM 920 CA VAL 133 16.588 -10.355 -9.999 1.00 0.00 ATOM 921 CB VAL 133 16.602 -11.664 -10.811 1.00 0.00 ATOM 922 CG1 VAL 133 17.460 -11.509 -12.057 1.00 0.00 ATOM 923 CG2 VAL 133 17.103 -12.817 -9.954 1.00 0.00 ATOM 924 O VAL 133 17.112 -8.282 -11.069 1.00 0.00 ATOM 925 C VAL 133 16.278 -9.181 -10.897 1.00 0.00 ATOM 926 N LEU 134 15.038 -9.170 -11.406 1.00 0.00 ATOM 927 CA LEU 134 14.561 -8.243 -12.448 1.00 0.00 ATOM 928 CB LEU 134 13.327 -8.815 -13.149 1.00 0.00 ATOM 929 CG LEU 134 13.528 -10.124 -13.915 1.00 0.00 ATOM 930 CD1 LEU 134 12.204 -10.632 -14.466 1.00 0.00 ATOM 931 CD2 LEU 134 14.533 -9.940 -15.041 1.00 0.00 ATOM 932 O LEU 134 13.699 -6.638 -10.911 1.00 0.00 ATOM 933 C LEU 134 14.205 -6.850 -12.021 1.00 0.00 ATOM 934 N PRO 135 14.529 -5.905 -12.904 1.00 0.00 ATOM 935 CA PRO 135 14.032 -4.533 -12.841 1.00 0.00 ATOM 936 CB PRO 135 15.030 -3.739 -13.685 1.00 0.00 ATOM 937 CG PRO 135 15.487 -4.703 -14.731 1.00 0.00 ATOM 938 CD PRO 135 15.563 -6.043 -14.055 1.00 0.00 ATOM 939 O PRO 135 12.095 -5.359 -14.108 1.00 0.00 ATOM 940 C PRO 135 12.605 -4.421 -13.410 1.00 0.00 ATOM 941 N SER 136 11.953 -3.277 -13.164 1.00 0.00 ATOM 942 CA SER 136 10.673 -3.013 -13.898 1.00 0.00 ATOM 943 CB SER 136 9.872 -1.913 -13.199 1.00 0.00 ATOM 944 OG SER 136 8.711 -1.579 -13.940 1.00 0.00 ATOM 945 O SER 136 11.573 -1.636 -15.692 1.00 0.00 ATOM 946 C SER 136 10.864 -2.616 -15.368 1.00 0.00 ATOM 947 N SER 137 10.221 -3.394 -16.269 1.00 0.00 ATOM 948 CA SER 137 10.562 -3.343 -17.689 1.00 0.00 ATOM 949 CB SER 137 9.537 -4.123 -18.515 1.00 0.00 ATOM 950 OG SER 137 9.805 -4.010 -19.901 1.00 0.00 ATOM 951 O SER 137 9.683 -1.209 -18.138 1.00 0.00 ATOM 952 C SER 137 10.638 -1.922 -18.162 1.00 0.00 ATOM 953 N SER 138 11.820 -1.487 -18.499 1.00 0.00 ATOM 954 CA SER 138 11.977 -0.225 -19.171 1.00 0.00 ATOM 955 CB SER 138 10.904 -0.055 -20.248 1.00 0.00 ATOM 956 OG SER 138 11.004 -1.069 -21.232 1.00 0.00 ATOM 957 O SER 138 11.184 1.825 -18.238 1.00 0.00 ATOM 958 C SER 138 11.899 0.837 -18.097 1.00 0.00 ATOM 959 N GLY 139 12.592 0.587 -16.988 1.00 0.00 ATOM 960 CA GLY 139 12.746 1.565 -15.912 1.00 0.00 ATOM 961 O GLY 139 14.174 -0.126 -15.082 1.00 0.00 ATOM 962 C GLY 139 13.891 1.074 -15.068 1.00 0.00 ATOM 963 N ALA 140 14.527 1.970 -14.310 1.00 0.00 ATOM 964 CA ALA 140 15.538 1.566 -13.324 1.00 0.00 ATOM 965 CB ALA 140 16.547 2.684 -13.109 1.00 0.00 ATOM 966 O ALA 140 15.679 1.135 -10.968 1.00 0.00 ATOM 967 C ALA 140 14.964 1.156 -11.938 1.00 0.00 ATOM 968 N ASN 141 13.691 0.782 -11.869 1.00 0.00 ATOM 969 CA ASN 141 12.963 0.524 -10.625 1.00 0.00 ATOM 970 CB ASN 141 11.478 0.842 -10.795 1.00 0.00 ATOM 971 CG ASN 141 11.219 2.319 -11.017 1.00 0.00 ATOM 972 ND2 ASN 141 10.070 2.638 -11.602 1.00 0.00 ATOM 973 OD1 ASN 141 12.044 3.163 -10.667 1.00 0.00 ATOM 974 O ASN 141 12.875 -1.888 -10.894 1.00 0.00 ATOM 975 C ASN 141 13.140 -0.912 -10.145 1.00 0.00 ATOM 976 N ARG 142 13.539 -1.058 -8.888 1.00 0.00 ATOM 977 CA ARG 142 13.817 -2.422 -8.328 1.00 0.00 ATOM 978 CB ARG 142 14.837 -2.337 -7.192 1.00 0.00 ATOM 979 CG ARG 142 16.216 -1.873 -7.629 1.00 0.00 ATOM 980 CD ARG 142 17.155 -1.731 -6.441 1.00 0.00 ATOM 981 NE ARG 142 16.729 -0.672 -5.530 1.00 0.00 ATOM 982 CZ ARG 142 17.342 -0.375 -4.388 1.00 0.00 ATOM 983 NH1 ARG 142 16.882 0.604 -3.623 1.00 0.00 ATOM 984 NH2 ARG 142 18.413 -1.063 -4.015 1.00 0.00 ATOM 985 O ARG 142 11.620 -2.534 -7.573 1.00 0.00 ATOM 986 C ARG 142 12.581 -3.159 -7.808 1.00 0.00 ATOM 987 N ARG 143 12.589 -4.462 -7.620 1.00 0.00 ATOM 988 CA ARG 143 11.477 -5.096 -6.901 1.00 0.00 ATOM 989 CB ARG 143 10.768 -6.111 -7.799 1.00 0.00 ATOM 990 CG ARG 143 10.078 -5.494 -9.007 1.00 0.00 ATOM 991 CD ARG 143 9.391 -6.555 -9.851 1.00 0.00 ATOM 992 NE ARG 143 8.657 -5.972 -10.971 1.00 0.00 ATOM 993 CZ ARG 143 9.171 -5.782 -12.182 1.00 0.00 ATOM 994 NH1 ARG 143 8.428 -5.245 -13.141 1.00 0.00 ATOM 995 NH2 ARG 143 10.425 -6.132 -12.433 1.00 0.00 ATOM 996 O ARG 143 12.686 -6.720 -5.677 1.00 0.00 ATOM 997 C ARG 143 11.888 -5.781 -5.641 1.00 0.00 ATOM 998 N PHE 144 11.275 -5.399 -4.537 1.00 0.00 ATOM 999 CA PHE 144 11.668 -5.912 -3.247 1.00 0.00 ATOM 1000 CB PHE 144 12.169 -4.778 -2.349 1.00 0.00 ATOM 1001 CG PHE 144 12.688 -5.242 -1.019 1.00 0.00 ATOM 1002 CD1 PHE 144 14.045 -5.425 -0.815 1.00 0.00 ATOM 1003 CD2 PHE 144 11.820 -5.494 0.029 1.00 0.00 ATOM 1004 CE1 PHE 144 14.523 -5.852 0.410 1.00 0.00 ATOM 1005 CE2 PHE 144 12.297 -5.922 1.253 1.00 0.00 ATOM 1006 CZ PHE 144 13.641 -6.101 1.446 1.00 0.00 ATOM 1007 O PHE 144 9.578 -5.978 -2.198 1.00 0.00 ATOM 1008 C PHE 144 10.495 -6.611 -2.648 1.00 0.00 ATOM 1009 N SER 145 10.446 -7.926 -2.684 1.00 0.00 ATOM 1010 CA SER 145 9.308 -8.563 -1.990 1.00 0.00 ATOM 1011 CB SER 145 9.209 -10.043 -2.369 1.00 0.00 ATOM 1012 OG SER 145 10.305 -10.775 -1.852 1.00 0.00 ATOM 1013 O SER 145 10.353 -8.176 0.161 1.00 0.00 ATOM 1014 C SER 145 9.335 -8.476 -0.448 1.00 0.00 ATOM 1015 N LYS 146 8.205 -8.711 0.189 1.00 0.00 ATOM 1016 CA LYS 146 8.078 -8.416 1.636 1.00 0.00 ATOM 1017 CB LYS 146 7.923 -6.911 1.864 1.00 0.00 ATOM 1018 CG LYS 146 7.931 -6.500 3.327 1.00 0.00 ATOM 1019 CD LYS 146 7.866 -4.989 3.477 1.00 0.00 ATOM 1020 CE LYS 146 7.907 -4.576 4.939 1.00 0.00 ATOM 1021 NZ LYS 146 7.850 -3.098 5.102 1.00 0.00 ATOM 1022 O LYS 146 5.896 -9.399 1.382 1.00 0.00 ATOM 1023 C LYS 146 6.878 -9.205 2.142 1.00 0.00 ATOM 1024 N ASN 147 6.954 -9.725 3.392 1.00 0.00 ATOM 1025 CA ASN 147 5.835 -10.640 3.712 1.00 0.00 ATOM 1026 CB ASN 147 6.240 -11.617 4.815 1.00 0.00 ATOM 1027 CG ASN 147 5.245 -12.747 4.988 1.00 0.00 ATOM 1028 ND2 ASN 147 5.147 -13.606 3.980 1.00 0.00 ATOM 1029 OD1 ASN 147 4.574 -12.844 6.015 1.00 0.00 ATOM 1030 O ASN 147 4.778 -8.676 4.652 1.00 0.00 ATOM 1031 C ASN 147 4.610 -9.787 4.110 1.00 0.00 ATOM 1035 N SER 150 -0.818 -7.782 6.453 1.00 0.00 ATOM 1036 CA SER 150 -1.980 -8.459 6.951 1.00 0.00 ATOM 1037 CB SER 150 -2.630 -9.292 5.845 1.00 0.00 ATOM 1038 OG SER 150 -3.896 -9.780 6.251 1.00 0.00 ATOM 1039 O SER 150 -0.433 -9.791 8.119 1.00 0.00 ATOM 1040 C SER 150 -1.552 -9.300 8.104 1.00 0.00 ATOM 1041 N GLU 151 -2.422 -9.470 9.084 1.00 0.00 ATOM 1042 CA GLU 151 -2.078 -10.363 10.157 1.00 0.00 ATOM 1043 CB GLU 151 -2.447 -9.747 11.508 1.00 0.00 ATOM 1044 CG GLU 151 -1.686 -8.473 11.837 1.00 0.00 ATOM 1045 CD GLU 151 -2.062 -7.905 13.191 1.00 0.00 ATOM 1046 OE1 GLU 151 -3.020 -8.417 13.806 1.00 0.00 ATOM 1047 OE2 GLU 151 -1.398 -6.945 13.637 1.00 0.00 ATOM 1048 O GLU 151 -2.800 -12.547 10.862 1.00 0.00 ATOM 1049 C GLU 151 -2.791 -11.705 9.952 1.00 0.00 ATOM 1053 N ALA 154 -0.003 -16.650 9.537 1.00 0.00 ATOM 1054 CA ALA 154 0.450 -17.300 10.742 1.00 0.00 ATOM 1055 CB ALA 154 -0.098 -18.717 10.816 1.00 0.00 ATOM 1056 O ALA 154 2.481 -17.444 11.990 1.00 0.00 ATOM 1057 C ALA 154 1.957 -17.354 10.876 1.00 0.00 ATOM 1058 N VAL 155 2.660 -17.342 9.752 1.00 0.00 ATOM 1059 CA VAL 155 4.060 -17.716 9.832 1.00 0.00 ATOM 1060 CB VAL 155 4.492 -18.552 8.613 1.00 0.00 ATOM 1061 CG1 VAL 155 3.684 -19.838 8.536 1.00 0.00 ATOM 1062 CG2 VAL 155 4.340 -17.744 7.333 1.00 0.00 ATOM 1063 O VAL 155 6.126 -16.547 9.843 1.00 0.00 ATOM 1064 C VAL 155 4.920 -16.490 9.952 1.00 0.00 ATOM 1065 N PHE 156 4.263 -15.381 10.234 1.00 0.00 ATOM 1066 CA PHE 156 4.947 -14.201 10.740 1.00 0.00 ATOM 1067 CB PHE 156 5.153 -13.181 9.620 1.00 0.00 ATOM 1068 CG PHE 156 6.236 -13.556 8.650 1.00 0.00 ATOM 1069 CD1 PHE 156 5.965 -14.386 7.576 1.00 0.00 ATOM 1070 CD2 PHE 156 7.524 -13.080 8.810 1.00 0.00 ATOM 1071 CE1 PHE 156 6.962 -14.732 6.682 1.00 0.00 ATOM 1072 CE2 PHE 156 8.521 -13.424 7.916 1.00 0.00 ATOM 1073 CZ PHE 156 8.245 -14.248 6.857 1.00 0.00 ATOM 1074 O PHE 156 3.675 -12.498 11.845 1.00 0.00 ATOM 1075 C PHE 156 4.108 -13.636 11.877 1.00 0.00 ATOM 1076 N ARG 157 3.890 -14.450 12.913 1.00 0.00 ATOM 1077 CA ARG 157 2.978 -14.123 13.998 1.00 0.00 ATOM 1078 CB ARG 157 3.393 -14.842 15.282 1.00 0.00 ATOM 1079 CG ARG 157 2.451 -14.616 16.453 1.00 0.00 ATOM 1080 CD ARG 157 2.946 -15.320 17.706 1.00 0.00 ATOM 1081 NE ARG 157 2.967 -16.772 17.546 1.00 0.00 ATOM 1082 CZ ARG 157 3.679 -17.598 18.306 1.00 0.00 ATOM 1083 NH1 ARG 157 3.635 -18.905 18.086 1.00 0.00 ATOM 1084 NH2 ARG 157 4.433 -17.114 19.283 1.00 0.00 ATOM 1085 O ARG 157 1.755 -12.099 14.160 1.00 0.00 ATOM 1086 C ARG 157 2.840 -12.640 14.331 1.00 0.00 ATOM 1087 N HIS 158 3.913 -11.996 14.786 1.00 0.00 ATOM 1088 CA HIS 158 3.832 -10.615 15.270 1.00 0.00 ATOM 1089 CB HIS 158 4.566 -10.471 16.605 1.00 0.00 ATOM 1090 CG HIS 158 3.967 -11.279 17.714 1.00 0.00 ATOM 1091 CD2 HIS 158 4.374 -12.445 18.486 1.00 0.00 ATOM 1092 ND1 HIS 158 2.736 -10.993 18.263 1.00 0.00 ATOM 1093 CE1 HIS 158 2.470 -11.887 19.232 1.00 0.00 ATOM 1094 NE2 HIS 158 3.448 -12.761 19.370 1.00 0.00 ATOM 1095 O HIS 158 5.139 -10.022 13.345 1.00 0.00 ATOM 1096 C HIS 158 4.403 -9.631 14.255 1.00 0.00 TER END