Browse entries in the PDBbind-CN Database
HEADER 2W3L_COMPLEX COMPND 2W3L_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 24 TYR ASP ASN ARG GLU ILE VAL MET LYS TYR ILE HIS TYR SEQRES 2 A 24 LYS LEU SER GLN ARG GLY TYR GLU TRP ASP ALA SEQRES 1 A 117 SER GLU VAL VAL HIS LYS THR LEU ARG GLU ALA GLY ASP SEQRES 2 A 117 ASP PHE SER ARG ARG TYR ARG ARG ASP PHE ALA GLU MET SEQRES 3 A 117 SER SER GLY LEU HIS LEU THR PRO PHE THR ALA ARG GLY SEQRES 4 A 117 ARG PHE ALA THR VAL VAL GLU GLU LEU PHE ARG ASP GLY SEQRES 5 A 117 VAL ASN TRP GLY ARG ILE VAL ALA PHE PHE GLU PHE GLY SEQRES 6 A 117 GLY VAL MET CYS VAL GLU SER VAL ASN ARG GLU MET SER SEQRES 7 A 117 PRO LEU VAL ASP ASN ILE ALA LEU TRP MET THR GLU TYR SEQRES 8 A 117 LEU ASN ARG HIS LEU HIS THR TRP ILE GLN ASP ASN GLY SEQRES 9 A 117 GLY TRP ASP ALA PHE VAL GLU LEU TYR GLY PRO SER MET HET DRO A 263 73 ATOM 1 N TYR A 9 58.820 46.615 -7.619 1.00 47.70 N ATOM 2 CA TYR A 9 58.125 45.289 -7.461 1.00 46.22 C ATOM 3 C TYR A 9 59.088 44.158 -7.086 1.00 44.91 C ATOM 4 O TYR A 9 60.206 44.067 -7.600 1.00 45.61 O ATOM 5 CB TYR A 9 57.386 44.920 -8.748 1.00 46.86 C ATOM 6 CG TYR A 9 56.511 46.018 -9.299 1.00 47.51 C ATOM 7 CD1 TYR A 9 55.289 46.301 -8.726 1.00 49.86 C ATOM 8 CD2 TYR A 9 56.905 46.771 -10.404 1.00 48.81 C ATOM 9 CE1 TYR A 9 54.474 47.308 -9.238 1.00 50.52 C ATOM 10 CE2 TYR A 9 56.098 47.791 -10.919 1.00 48.86 C ATOM 11 CZ TYR A 9 54.882 48.053 -10.330 1.00 49.47 C ATOM 12 OH TYR A 9 54.055 49.045 -10.814 1.00 47.93 O ATOM 13 HA TYR A 9 57.416 45.404 -6.641 1.00 0.00 H ATOM 14 HB3 TYR A 9 56.758 44.053 -8.544 1.00 0.00 H ATOM 15 HB2 TYR A 9 58.127 44.661 -9.505 1.00 0.00 H ATOM 16 HD2 TYR A 9 57.864 46.560 -10.878 1.00 0.00 H ATOM 17 HE2 TYR A 9 56.429 48.373 -11.779 1.00 0.00 H ATOM 18 HE1 TYR A 9 53.508 47.510 -8.775 1.00 0.00 H ATOM 19 HD1 TYR A 9 54.956 45.729 -7.860 1.00 0.00 H ATOM 20 HH TYR A 9 53.817 48.845 -11.754 1.00 0.00 H ATOM 21 HN3 TYR A 9 59.536 46.543 -8.370 1.00 0.00 H ATOM 22 HN2 TYR A 9 59.281 46.872 -6.723 1.00 0.00 H ATOM 23 HN1 TYR A 9 58.122 47.343 -7.872 1.00 0.00 H ATOM 24 N ASP A 10 58.617 43.280 -6.207 1.00 42.60 N ATOM 25 CA ASP A 10 59.330 42.083 -5.792 1.00 39.25 C ATOM 26 C ASP A 10 58.211 41.057 -5.550 1.00 36.78 C ATOM 27 O ASP A 10 57.234 41.344 -4.857 1.00 35.06 O ATOM 28 CB ASP A 10 60.168 42.399 -4.552 1.00 40.45 C ATOM 29 CG ASP A 10 60.458 41.181 -3.687 1.00 41.32 C ATOM 30 OD1 ASP A 10 61.199 40.274 -4.099 1.00 46.34 O ATOM 31 OD2 ASP A 10 59.974 41.152 -2.558 1.00 43.66 O ATOM 32 HA ASP A 10 60.044 41.697 -6.519 1.00 0.00 H ATOM 33 HB2 ASP A 10 61.117 42.826 -4.877 1.00 0.00 H ATOM 34 HB3 ASP A 10 59.630 43.130 -3.949 1.00 0.00 H ATOM 35 H ASP A 10 57.681 43.460 -5.790 1.00 0.00 H ATOM 36 N ASN A 11 58.327 39.894 -6.185 1.00 34.06 N ATOM 37 CA ASN A 11 57.255 38.893 -6.172 1.00 32.93 C ATOM 38 C ASN A 11 56.933 38.364 -4.783 1.00 31.21 C ATOM 39 O ASN A 11 55.773 38.163 -4.475 1.00 31.82 O ATOM 40 CB ASN A 11 57.562 37.720 -7.137 1.00 32.13 C ATOM 41 CG ASN A 11 57.472 38.129 -8.604 1.00 32.94 C ATOM 42 OD1 ASN A 11 58.307 37.733 -9.425 1.00 36.06 O ATOM 43 ND2 ASN A 11 56.461 38.913 -8.939 1.00 29.55 N ATOM 44 HA ASN A 11 56.365 39.417 -6.521 1.00 0.00 H ATOM 45 HB2 ASN A 11 58.570 37.357 -6.937 1.00 0.00 H ATOM 46 HB3 ASN A 11 56.846 36.919 -6.953 1.00 0.00 H ATOM 47 HD22 ASN A 11 55.781 39.223 -8.215 1.00 0.00 H ATOM 48 HD21 ASN A 11 56.346 39.220 -9.926 1.00 0.00 H ATOM 49 H ASN A 11 59.203 39.688 -6.706 1.00 0.00 H ATOM 50 N ARG A 12 57.969 38.142 -3.977 1.00 29.35 N ATOM 51 CA ARG A 12 57.842 37.649 -2.603 1.00 28.31 C ATOM 52 C ARG A 12 56.929 38.575 -1.775 1.00 26.93 C ATOM 53 O ARG A 12 56.006 38.118 -1.091 1.00 26.65 O ATOM 54 CB ARG A 12 59.253 37.491 -1.978 1.00 26.61 C ATOM 55 CG ARG A 12 59.301 36.979 -0.522 1.00 30.45 C ATOM 56 CD ARG A 12 60.646 37.318 0.149 1.00 30.45 C ATOM 57 NE ARG A 12 60.820 36.668 1.448 1.00 36.94 N ATOM 58 HA ARG A 12 57.367 36.668 -2.606 1.00 0.00 H ATOM 59 HB2 ARG A 12 59.814 36.790 -2.596 1.00 0.00 H ATOM 60 HB3 ARG A 12 59.740 38.466 -2.004 1.00 0.00 H ATOM 61 HG2 ARG A 12 58.494 37.444 0.045 1.00 0.00 H ATOM 62 HG3 ARG A 12 59.167 35.897 -0.521 1.00 0.00 H ATOM 63 HD2 ARG A 12 60.701 38.397 0.291 1.00 0.00 H ATOM 64 HD3 ARG A 12 61.453 36.998 -0.510 1.00 0.00 H ATOM 65 HE ARG A 12 60.073 36.051 1.825 1.00 0.00 H ATOM 66 H ARG A 12 58.924 38.329 -4.344 1.00 0.00 H ATOM 67 N GLU A 13 57.176 39.875 -1.886 1.00 24.47 N ATOM 68 CA GLU A 13 56.373 40.885 -1.264 1.00 24.03 C ATOM 69 C GLU A 13 54.931 40.933 -1.757 1.00 21.47 C ATOM 70 O GLU A 13 54.018 41.042 -0.960 1.00 19.59 O ATOM 71 CB GLU A 13 57.070 42.253 -1.386 1.00 24.74 C ATOM 72 CG GLU A 13 56.574 43.267 -0.412 1.00 33.28 C ATOM 73 CD GLU A 13 57.086 43.075 1.024 1.00 40.87 C ATOM 74 OE1 GLU A 13 58.153 42.438 1.238 1.00 46.05 O ATOM 75 OE2 GLU A 13 56.409 43.584 1.949 1.00 46.26 O ATOM 76 HA GLU A 13 56.288 40.615 -0.211 1.00 0.00 H ATOM 77 HB2 GLU A 13 58.138 42.111 -1.222 1.00 0.00 H ATOM 78 HB3 GLU A 13 56.906 42.634 -2.394 1.00 0.00 H ATOM 79 HG2 GLU A 13 56.888 44.252 -0.757 1.00 0.00 H ATOM 80 HG3 GLU A 13 55.485 43.219 -0.395 1.00 0.00 H ATOM 81 H GLU A 13 57.994 40.175 -2.453 1.00 0.00 H ATOM 82 N ILE A 14 54.716 40.791 -3.065 1.00 21.15 N ATOM 83 CA ILE A 14 53.349 40.710 -3.595 1.00 19.78 C ATOM 84 C ILE A 14 52.562 39.463 -3.082 1.00 20.30 C ATOM 85 O ILE A 14 51.361 39.557 -2.736 1.00 18.95 O ATOM 86 CB ILE A 14 53.396 40.725 -5.139 1.00 19.93 C ATOM 87 CG1 ILE A 14 53.922 42.080 -5.637 1.00 19.09 C ATOM 88 CG2 ILE A 14 52.040 40.462 -5.731 1.00 18.80 C ATOM 89 CD1 ILE A 14 54.022 42.186 -7.188 1.00 20.57 C ATOM 90 HA ILE A 14 52.806 41.581 -3.227 1.00 0.00 H ATOM 91 HB ILE A 14 54.069 39.930 -5.460 1.00 0.00 H ATOM 92 HG12 ILE A 14 53.250 42.861 -5.282 1.00 0.00 H ATOM 93 HG13 ILE A 14 54.915 42.238 -5.217 1.00 0.00 H ATOM 94 HD11 ILE A 14 54.701 41.419 -7.560 1.00 0.00 H ATOM 95 HD12 ILE A 14 53.034 42.042 -7.625 1.00 0.00 H ATOM 96 HD13 ILE A 14 54.401 43.171 -7.460 1.00 0.00 H ATOM 97 HG21 ILE A 14 51.686 39.484 -5.404 1.00 0.00 H ATOM 98 HG22 ILE A 14 51.344 41.232 -5.398 1.00 0.00 H ATOM 99 HG23 ILE A 14 52.110 40.480 -6.819 1.00 0.00 H ATOM 100 H ILE A 14 55.525 40.737 -3.717 1.00 0.00 H ATOM 101 N VAL A 15 53.244 38.309 -3.049 1.00 19.84 N ATOM 102 CA VAL A 15 52.673 37.067 -2.502 1.00 19.46 C ATOM 103 C VAL A 15 52.380 37.225 -1.002 1.00 19.48 C ATOM 104 O VAL A 15 51.301 36.926 -0.562 1.00 18.63 O ATOM 105 CB VAL A 15 53.606 35.846 -2.728 1.00 19.05 C ATOM 106 CG1 VAL A 15 53.147 34.652 -1.857 1.00 18.32 C ATOM 107 CG2 VAL A 15 53.596 35.450 -4.187 1.00 19.00 C ATOM 108 HA VAL A 15 51.742 36.880 -3.038 1.00 0.00 H ATOM 109 HB VAL A 15 54.620 36.123 -2.440 1.00 0.00 H ATOM 110 HG11 VAL A 15 53.181 34.937 -0.805 1.00 0.00 H ATOM 111 HG12 VAL A 15 52.128 34.377 -2.128 1.00 0.00 H ATOM 112 HG13 VAL A 15 53.811 33.804 -2.026 1.00 0.00 H ATOM 113 HG21 VAL A 15 52.581 35.186 -4.484 1.00 0.00 H ATOM 114 HG22 VAL A 15 53.947 36.286 -4.792 1.00 0.00 H ATOM 115 HG23 VAL A 15 54.253 34.593 -4.334 1.00 0.00 H ATOM 116 H VAL A 15 54.214 38.291 -3.424 1.00 0.00 H ATOM 117 N MET A 16 53.337 37.777 -0.251 1.00 20.52 N ATOM 118 CA MET A 16 53.220 37.927 1.208 1.00 22.12 C ATOM 119 C MET A 16 52.030 38.769 1.560 1.00 21.22 C ATOM 120 O MET A 16 51.253 38.395 2.428 1.00 21.17 O ATOM 121 CB MET A 16 54.430 38.623 1.813 1.00 23.95 C ATOM 122 CG MET A 16 55.773 37.880 1.868 1.00 31.80 C ATOM 123 SD MET A 16 55.884 36.102 2.124 1.00 50.87 S ATOM 124 CE MET A 16 55.985 35.503 0.424 1.00 42.66 C ATOM 125 HA MET A 16 53.130 36.916 1.604 1.00 0.00 H ATOM 126 HB2 MET A 16 54.594 39.535 1.238 1.00 0.00 H ATOM 127 HB3 MET A 16 54.168 38.884 2.838 1.00 0.00 H ATOM 128 HG2 MET A 16 56.340 38.339 2.678 1.00 0.00 H ATOM 129 HG3 MET A 16 56.270 38.081 0.919 1.00 0.00 H ATOM 130 HE1 MET A 16 55.091 35.807 -0.121 1.00 0.00 H ATOM 131 HE2 MET A 16 56.866 35.927 -0.057 1.00 0.00 H ATOM 132 HE3 MET A 16 56.058 34.415 0.427 1.00 0.00 H ATOM 133 H MET A 16 54.202 38.115 -0.718 1.00 0.00 H ATOM 134 N LYS A 17 51.889 39.911 0.884 1.00 20.52 N ATOM 135 CA LYS A 17 50.844 40.882 1.179 1.00 20.83 C ATOM 136 C LYS A 17 49.436 40.378 0.827 1.00 20.77 C ATOM 137 O LYS A 17 48.448 40.655 1.507 1.00 21.15 O ATOM 138 CB LYS A 17 51.140 42.221 0.442 1.00 20.17 C ATOM 139 HA LYS A 17 50.855 41.042 2.257 1.00 0.00 H ATOM 140 HB2 LYS A 17 52.100 42.613 0.776 1.00 0.00 H ATOM 141 HB3 LYS A 17 51.173 42.043 -0.633 1.00 0.00 H ATOM 142 H LYS A 17 52.555 40.117 0.112 1.00 0.00 H ATOM 143 N TYR A 18 49.356 39.644 -0.254 1.00 20.06 N ATOM 144 CA TYR A 18 48.145 39.038 -0.680 1.00 19.54 C ATOM 145 C TYR A 18 47.639 37.976 0.323 1.00 18.96 C ATOM 146 O TYR A 18 46.464 37.989 0.751 1.00 17.98 O ATOM 147 CB TYR A 18 48.396 38.404 -2.041 1.00 20.03 C ATOM 148 CG TYR A 18 47.171 37.792 -2.552 1.00 21.85 C ATOM 149 CD1 TYR A 18 46.191 38.557 -3.229 1.00 22.90 C ATOM 150 CD2 TYR A 18 46.949 36.447 -2.318 1.00 22.21 C ATOM 151 CE1 TYR A 18 45.029 37.936 -3.675 1.00 26.49 C ATOM 152 CE2 TYR A 18 45.843 35.852 -2.713 1.00 24.94 C ATOM 153 CZ TYR A 18 44.886 36.560 -3.378 1.00 25.43 C ATOM 154 OH TYR A 18 43.821 35.789 -3.743 1.00 28.87 O ATOM 155 HA TYR A 18 47.368 39.800 -0.742 1.00 0.00 H ATOM 156 HB3 TYR A 18 49.167 37.639 -1.945 1.00 0.00 H ATOM 157 HB2 TYR A 18 48.732 39.171 -2.738 1.00 0.00 H ATOM 158 HD2 TYR A 18 47.708 35.866 -1.794 1.00 0.00 H ATOM 159 HE2 TYR A 18 45.692 34.792 -2.508 1.00 0.00 H ATOM 160 HE1 TYR A 18 44.265 38.483 -4.227 1.00 0.00 H ATOM 161 HD1 TYR A 18 46.346 39.622 -3.399 1.00 0.00 H ATOM 162 HH TYR A 18 43.158 36.348 -4.220 1.00 0.00 H ATOM 163 H TYR A 18 50.214 39.499 -0.824 1.00 0.00 H ATOM 164 N ILE A 19 48.528 37.070 0.696 1.00 18.50 N ATOM 165 CA ILE A 19 48.194 36.017 1.663 1.00 19.21 C ATOM 166 C ILE A 19 47.929 36.654 3.031 1.00 19.90 C ATOM 167 O ILE A 19 46.987 36.280 3.717 1.00 19.60 O ATOM 168 CB ILE A 19 49.312 34.988 1.763 1.00 19.38 C ATOM 169 CG1 ILE A 19 49.326 34.124 0.503 1.00 17.69 C ATOM 170 CG2 ILE A 19 49.108 34.000 3.025 1.00 19.57 C ATOM 171 CD1 ILE A 19 50.572 33.368 0.399 1.00 23.82 C ATOM 172 HA ILE A 19 47.298 35.498 1.322 1.00 0.00 H ATOM 173 HB ILE A 19 50.246 35.538 1.883 1.00 0.00 H ATOM 174 HG12 ILE A 19 48.488 33.428 0.539 1.00 0.00 H ATOM 175 HG13 ILE A 19 49.225 34.767 -0.371 1.00 0.00 H ATOM 176 HD11 ILE A 19 51.413 34.060 0.358 1.00 0.00 H ATOM 177 HD12 ILE A 19 50.676 32.719 1.269 1.00 0.00 H ATOM 178 HD13 ILE A 19 50.553 32.762 -0.507 1.00 0.00 H ATOM 179 HG21 ILE A 19 49.097 34.585 3.945 1.00 0.00 H ATOM 180 HG22 ILE A 19 48.162 33.469 2.920 1.00 0.00 H ATOM 181 HG23 ILE A 19 49.927 33.282 3.059 1.00 0.00 H ATOM 182 H ILE A 19 49.487 37.105 0.294 1.00 0.00 H ATOM 183 N HIS A 20 48.717 37.656 3.398 1.00 20.27 N ATOM 184 CA HIS A 20 48.536 38.273 4.723 1.00 21.74 C ATOM 185 C HIS A 20 47.123 38.858 4.916 1.00 22.80 C ATOM 186 O HIS A 20 46.494 38.706 5.969 1.00 22.93 O ATOM 187 CB HIS A 20 49.611 39.329 4.999 1.00 21.60 C ATOM 188 CG HIS A 20 49.630 39.784 6.421 1.00 22.88 C ATOM 189 ND1 HIS A 20 48.891 40.857 6.864 1.00 24.88 N ATOM 190 CD2 HIS A 20 50.255 39.283 7.510 1.00 23.89 C ATOM 191 CE1 HIS A 20 49.059 40.995 8.170 1.00 27.43 C ATOM 192 NE2 HIS A 20 49.863 40.038 8.589 1.00 23.70 N ATOM 193 HA HIS A 20 48.649 37.473 5.455 1.00 0.00 H ATOM 194 HB2 HIS A 20 50.585 38.905 4.757 1.00 0.00 H ATOM 195 HB3 HIS A 20 49.423 40.192 4.360 1.00 0.00 H ATOM 196 HD2 HIS A 20 50.942 38.437 7.529 1.00 0.00 H ATOM 197 HE1 HIS A 20 48.609 41.768 8.793 1.00 0.00 H ATOM 198 H HIS A 20 49.457 38.003 2.755 1.00 0.00 H ATOM 199 N TYR A 21 46.635 39.529 3.888 1.00 24.46 N ATOM 200 CA TYR A 21 45.338 40.153 3.920 1.00 25.73 C ATOM 201 C TYR A 21 44.215 39.118 3.916 1.00 25.70 C ATOM 202 O TYR A 21 43.245 39.269 4.635 1.00 26.56 O ATOM 203 CB TYR A 21 45.174 41.220 2.802 1.00 27.49 C ATOM 204 CG TYR A 21 43.853 42.002 2.951 1.00 29.66 C ATOM 205 CD1 TYR A 21 43.772 43.128 3.765 1.00 31.43 C ATOM 206 CD2 TYR A 21 42.699 41.583 2.313 1.00 29.19 C ATOM 207 CE1 TYR A 21 42.570 43.820 3.931 1.00 32.50 C ATOM 208 CE2 TYR A 21 41.486 42.259 2.474 1.00 31.49 C ATOM 209 CZ TYR A 21 41.427 43.371 3.292 1.00 33.27 C ATOM 210 OH TYR A 21 40.208 44.039 3.462 1.00 35.41 O ATOM 211 HA TYR A 21 45.262 40.692 4.864 1.00 0.00 H ATOM 212 HB3 TYR A 21 45.182 40.721 1.833 1.00 0.00 H ATOM 213 HB2 TYR A 21 46.008 41.920 2.856 1.00 0.00 H ATOM 214 HD2 TYR A 21 42.737 40.704 1.669 1.00 0.00 H ATOM 215 HE2 TYR A 21 40.592 41.911 1.957 1.00 0.00 H ATOM 216 HE1 TYR A 21 42.532 44.709 4.561 1.00 0.00 H ATOM 217 HD1 TYR A 21 44.665 43.477 4.284 1.00 0.00 H ATOM 218 HH TYR A 21 40.336 44.807 4.073 1.00 0.00 H ATOM 219 H TYR A 21 47.209 39.609 3.024 1.00 0.00 H ATOM 220 N LYS A 22 44.322 38.081 3.106 1.00 24.91 N ATOM 221 CA LYS A 22 43.366 37.001 3.150 1.00 26.22 C ATOM 222 C LYS A 22 43.309 36.405 4.560 1.00 25.07 C ATOM 223 O LYS A 22 42.250 36.223 5.127 1.00 24.60 O ATOM 224 CB LYS A 22 43.744 35.935 2.118 1.00 26.74 C ATOM 225 CG LYS A 22 42.598 35.272 1.474 1.00 30.66 C ATOM 226 CD LYS A 22 42.846 35.206 -0.016 1.00 34.70 C ATOM 227 CE LYS A 22 41.724 35.858 -0.790 1.00 36.58 C ATOM 228 NZ LYS A 22 40.536 34.946 -0.901 1.00 38.60 N ATOM 229 HA LYS A 22 42.375 37.384 2.905 1.00 0.00 H ATOM 230 HB2 LYS A 22 44.343 36.411 1.341 1.00 0.00 H ATOM 231 HB3 LYS A 22 44.341 35.173 2.619 1.00 0.00 H ATOM 232 HG2 LYS A 22 42.487 34.263 1.872 1.00 0.00 H ATOM 233 HG3 LYS A 22 41.689 35.840 1.669 1.00 0.00 H ATOM 234 HD2 LYS A 22 43.780 35.720 -0.244 1.00 0.00 H ATOM 235 HD3 LYS A 22 42.925 34.161 -0.317 1.00 0.00 H ATOM 236 HE2 LYS A 22 42.079 36.103 -1.791 1.00 0.00 H ATOM 237 HE3 LYS A 22 41.424 36.772 -0.278 1.00 0.00 H ATOM 238 HZ1 LYS A 22 40.815 34.074 -1.393 1.00 0.00 H ATOM 239 HZ2 LYS A 22 40.190 34.712 0.051 1.00 0.00 H ATOM 240 HZ3 LYS A 22 39.783 35.423 -1.438 1.00 0.00 H ATOM 241 H LYS A 22 45.108 38.042 2.426 1.00 0.00 H ATOM 242 N LEU A 23 44.455 36.176 5.170 1.00 24.41 N ATOM 243 CA LEU A 23 44.407 35.585 6.503 1.00 23.53 C ATOM 244 C LEU A 23 43.975 36.522 7.631 1.00 24.16 C ATOM 245 O LEU A 23 43.186 36.113 8.484 1.00 23.59 O ATOM 246 CB LEU A 23 45.712 34.848 6.823 1.00 21.85 C ATOM 247 CG LEU A 23 46.061 33.766 5.788 1.00 19.80 C ATOM 248 CD1 LEU A 23 47.398 33.145 6.178 1.00 12.45 C ATOM 249 CD2 LEU A 23 45.000 32.715 5.719 1.00 19.01 C ATOM 250 HA LEU A 23 43.594 34.860 6.458 1.00 0.00 H ATOM 251 HB2 LEU A 23 46.523 35.575 6.853 1.00 0.00 H ATOM 252 HB3 LEU A 23 45.614 34.375 7.800 1.00 0.00 H ATOM 253 HG LEU A 23 46.128 34.221 4.800 1.00 0.00 H ATOM 254 HD21 LEU A 23 44.896 32.241 6.695 1.00 0.00 H ATOM 255 HD22 LEU A 23 44.053 33.174 5.434 1.00 0.00 H ATOM 256 HD23 LEU A 23 45.279 31.967 4.978 1.00 0.00 H ATOM 257 HD11 LEU A 23 48.167 33.917 6.187 1.00 0.00 H ATOM 258 HD12 LEU A 23 47.316 32.702 7.170 1.00 0.00 H ATOM 259 HD13 LEU A 23 47.664 32.374 5.455 1.00 0.00 H ATOM 260 H LEU A 23 45.362 36.409 4.717 1.00 0.00 H ATOM 261 N SER A 24 44.464 37.766 7.639 1.00 25.13 N ATOM 262 CA SER A 24 44.022 38.753 8.651 1.00 26.73 C ATOM 263 C SER A 24 42.486 38.916 8.677 1.00 26.66 C ATOM 264 O SER A 24 41.915 39.084 9.745 1.00 26.48 O ATOM 265 CB SER A 24 44.720 40.109 8.520 1.00 26.24 C ATOM 266 OG SER A 24 44.467 40.679 7.249 1.00 31.98 O ATOM 267 HA SER A 24 44.328 38.338 9.611 1.00 0.00 H ATOM 268 HB2 SER A 24 45.794 39.973 8.644 1.00 0.00 H ATOM 269 HB3 SER A 24 44.348 40.780 9.294 1.00 0.00 H ATOM 270 HG SER A 24 44.926 41.554 7.184 1.00 0.00 H ATOM 271 H SER A 24 45.166 38.045 6.924 1.00 0.00 H ATOM 272 N GLN A 25 41.828 38.796 7.522 1.00 27.32 N ATOM 273 CA GLN A 25 40.374 38.795 7.480 1.00 27.58 C ATOM 274 C GLN A 25 39.743 37.694 8.319 1.00 27.84 C ATOM 275 O GLN A 25 38.626 37.865 8.801 1.00 27.80 O ATOM 276 CB GLN A 25 39.870 38.667 6.052 1.00 28.73 C ATOM 277 CG GLN A 25 40.177 39.858 5.190 1.00 29.44 C ATOM 278 HA GLN A 25 40.074 39.752 7.906 1.00 0.00 H ATOM 279 HB2 GLN A 25 40.332 37.789 5.602 1.00 0.00 H ATOM 280 HB3 GLN A 25 38.789 38.533 6.080 1.00 0.00 H ATOM 281 HG2 GLN A 25 39.711 40.745 5.619 1.00 0.00 H ATOM 282 HG3 GLN A 25 41.257 40.001 5.141 1.00 0.00 H ATOM 283 H GLN A 25 42.365 38.702 6.636 1.00 0.00 H ATOM 284 N ARG A 26 40.457 36.576 8.498 1.00 27.44 N ATOM 285 CA ARG A 26 39.970 35.462 9.324 1.00 27.00 C ATOM 286 C ARG A 26 40.480 35.534 10.752 1.00 25.96 C ATOM 287 O ARG A 26 40.362 34.548 11.491 1.00 24.59 O ATOM 288 CB ARG A 26 40.387 34.102 8.753 1.00 27.37 C ATOM 289 CG ARG A 26 39.410 33.507 7.747 1.00 30.42 C ATOM 290 CD ARG A 26 39.768 33.960 6.377 1.00 28.11 C ATOM 291 NE ARG A 26 38.973 33.293 5.351 1.00 29.83 N ATOM 292 CZ ARG A 26 38.870 33.762 4.110 1.00 31.35 C ATOM 293 NH1 ARG A 26 38.144 33.126 3.200 1.00 31.23 N ATOM 294 NH2 ARG A 26 39.518 34.879 3.782 1.00 30.09 N ATOM 295 HA ARG A 26 38.884 35.557 9.317 1.00 0.00 H ATOM 296 HB2 ARG A 26 41.352 34.222 8.260 1.00 0.00 H ATOM 297 HB3 ARG A 26 40.489 33.402 9.582 1.00 0.00 H ATOM 298 HG2 ARG A 26 39.458 32.419 7.794 1.00 0.00 H ATOM 299 HG3 ARG A 26 38.398 33.835 7.985 1.00 0.00 H ATOM 300 HD2 ARG A 26 40.822 33.745 6.200 1.00 0.00 H ATOM 301 HD3 ARG A 26 39.601 35.035 6.307 1.00 0.00 H ATOM 302 HE ARG A 26 38.468 32.418 5.599 1.00 0.00 H ATOM 303 HH12 ARG A 26 38.073 33.505 2.234 1.00 0.00 H ATOM 304 HH11 ARG A 26 37.646 32.249 3.453 1.00 0.00 H ATOM 305 HH22 ARG A 26 39.447 35.257 2.816 1.00 0.00 H ATOM 306 HH21 ARG A 26 40.095 35.373 4.492 1.00 0.00 H ATOM 307 H ARG A 26 41.386 36.493 8.038 1.00 0.00 H ATOM 308 N GLY A 27 41.056 36.678 11.138 1.00 24.49 N ATOM 309 CA GLY A 27 41.528 36.840 12.516 1.00 23.55 C ATOM 310 C GLY A 27 42.858 36.128 12.735 1.00 23.42 C ATOM 311 O GLY A 27 43.333 36.015 13.878 1.00 24.29 O ATOM 312 HA3 GLY A 27 40.786 36.423 13.197 1.00 0.00 H ATOM 313 HA2 GLY A 27 41.655 37.902 12.725 1.00 0.00 H ATOM 314 H GLY A 27 41.169 37.456 10.457 1.00 0.00 H ATOM 315 N TYR A 28 43.498 35.691 11.646 1.00 21.94 N ATOM 316 CA TYR A 28 44.762 34.996 11.775 1.00 21.49 C ATOM 317 C TYR A 28 45.877 35.948 11.399 1.00 21.94 C ATOM 318 O TYR A 28 46.041 36.271 10.215 1.00 22.87 O ATOM 319 CB TYR A 28 44.789 33.739 10.883 1.00 20.78 C ATOM 320 CG TYR A 28 46.043 32.884 11.044 1.00 19.76 C ATOM 321 CD1 TYR A 28 46.080 31.853 11.965 1.00 17.33 C ATOM 322 CD2 TYR A 28 47.171 33.101 10.270 1.00 19.92 C ATOM 323 CE1 TYR A 28 47.188 31.077 12.110 1.00 10.89 C ATOM 324 CE2 TYR A 28 48.318 32.322 10.427 1.00 16.93 C ATOM 325 CZ TYR A 28 48.296 31.322 11.367 1.00 16.83 C ATOM 326 OH TYR A 28 49.377 30.513 11.547 1.00 17.85 O ATOM 327 HA TYR A 28 44.895 34.666 12.805 1.00 0.00 H ATOM 328 HB3 TYR A 28 44.723 34.057 9.842 1.00 0.00 H ATOM 329 HB2 TYR A 28 43.923 33.125 11.130 1.00 0.00 H ATOM 330 HD2 TYR A 28 47.163 33.896 9.524 1.00 0.00 H ATOM 331 HE2 TYR A 28 49.206 32.502 9.821 1.00 0.00 H ATOM 332 HE1 TYR A 28 47.185 30.255 12.826 1.00 0.00 H ATOM 333 HD1 TYR A 28 45.206 31.659 12.586 1.00 0.00 H ATOM 334 HH TYR A 28 49.575 30.036 10.703 1.00 0.00 H ATOM 335 H TYR A 28 43.087 35.850 10.704 1.00 0.00 H ATOM 336 N GLU A 29 46.686 36.351 12.379 1.00 22.54 N ATOM 337 CA GLU A 29 47.757 37.305 12.125 1.00 23.15 C ATOM 338 C GLU A 29 49.069 36.618 11.799 1.00 22.71 C ATOM 339 O GLU A 29 49.833 36.229 12.664 1.00 21.92 O ATOM 340 CB GLU A 29 47.896 38.360 13.261 1.00 23.79 C ATOM 341 CG GLU A 29 46.634 39.273 13.485 1.00 28.11 C ATOM 342 CD GLU A 29 46.187 40.045 12.214 1.00 36.06 C ATOM 343 OE1 GLU A 29 47.082 40.547 11.484 1.00 38.78 O ATOM 344 OE2 GLU A 29 44.949 40.157 11.953 1.00 36.25 O ATOM 345 HA GLU A 29 47.473 37.862 11.232 1.00 0.00 H ATOM 346 HB2 GLU A 29 48.098 37.830 14.191 1.00 0.00 H ATOM 347 HB3 GLU A 29 48.741 39.005 13.021 1.00 0.00 H ATOM 348 HG2 GLU A 29 45.807 38.643 13.814 1.00 0.00 H ATOM 349 HG3 GLU A 29 46.868 39.999 14.264 1.00 0.00 H ATOM 350 H GLU A 29 46.550 35.978 13.340 1.00 0.00 H ATOM 351 N TRP A 30 49.340 36.524 10.504 1.00 22.47 N ATOM 352 CA TRP A 30 50.414 35.698 10.036 1.00 22.54 C ATOM 353 C TRP A 30 51.754 36.444 10.135 1.00 24.01 C ATOM 354 O TRP A 30 51.864 37.580 9.767 1.00 23.74 O ATOM 355 CB TRP A 30 50.070 35.231 8.609 1.00 21.13 C ATOM 356 CG TRP A 30 51.129 34.536 7.900 1.00 20.17 C ATOM 357 CD1 TRP A 30 51.827 33.441 8.338 1.00 18.26 C ATOM 358 CD2 TRP A 30 51.619 34.827 6.556 1.00 20.87 C ATOM 359 NE1 TRP A 30 52.742 33.059 7.358 1.00 18.88 N ATOM 360 CE2 TRP A 30 52.643 33.899 6.277 1.00 17.33 C ATOM 361 CE3 TRP A 30 51.296 35.802 5.579 1.00 17.26 C ATOM 362 CZ2 TRP A 30 53.325 33.874 5.048 1.00 19.60 C ATOM 363 CZ3 TRP A 30 51.994 35.796 4.374 1.00 17.65 C ATOM 364 CH2 TRP A 30 52.989 34.834 4.122 1.00 20.81 C ATOM 365 HA TRP A 30 50.531 34.813 10.661 1.00 0.00 H ATOM 366 HB2 TRP A 30 49.214 34.560 8.674 1.00 0.00 H ATOM 367 HB3 TRP A 30 49.797 36.110 8.025 1.00 0.00 H ATOM 368 HE1 TRP A 30 53.401 32.258 7.435 1.00 0.00 H ATOM 369 HD1 TRP A 30 51.689 32.947 9.300 1.00 0.00 H ATOM 370 HZ2 TRP A 30 54.088 33.125 4.838 1.00 0.00 H ATOM 371 HH2 TRP A 30 53.509 34.850 3.164 1.00 0.00 H ATOM 372 HZ3 TRP A 30 51.767 36.546 3.617 1.00 0.00 H ATOM 373 HE3 TRP A 30 50.517 36.541 5.767 1.00 0.00 H ATOM 374 H TRP A 30 48.766 37.056 9.819 1.00 0.00 H ATOM 375 N ASP A 31 52.760 35.748 10.619 1.00 26.14 N ATOM 376 CA ASP A 31 54.125 36.213 10.768 1.00 30.14 C ATOM 377 C ASP A 31 54.958 36.456 9.444 1.00 30.94 C ATOM 378 O ASP A 31 56.074 36.961 9.504 1.00 31.81 O ATOM 379 CB ASP A 31 54.733 35.174 11.719 1.00 29.49 C ATOM 380 CG ASP A 31 56.215 35.221 11.845 1.00 35.33 C ATOM 381 OD1 ASP A 31 56.779 36.342 11.914 1.00 41.32 O ATOM 382 OD2 ASP A 31 56.815 34.102 11.963 1.00 37.17 O ATOM 383 HA ASP A 31 54.148 37.232 11.153 1.00 0.00 H ATOM 384 HB2 ASP A 31 54.305 35.331 12.709 1.00 0.00 H ATOM 385 HB3 ASP A 31 54.456 34.183 11.358 1.00 0.00 H ATOM 386 H ASP A 31 52.557 34.774 10.923 1.00 0.00 H ATOM 387 N ALA A 32 54.416 36.155 8.265 1.00 32.16 N ATOM 388 CA ALA A 32 55.169 36.216 6.967 1.00 32.20 C ATOM 389 C ALA A 32 56.427 35.352 6.966 1.00 34.21 C ATOM 390 O ALA A 32 57.325 35.524 6.115 1.00 35.94 O ATOM 391 CB ALA A 32 55.488 37.656 6.516 1.00 31.75 C ATOM 392 HA ALA A 32 54.486 35.794 6.230 1.00 0.00 H ATOM 393 HB1 ALA A 32 54.558 38.208 6.384 1.00 0.00 H ATOM 394 HB2 ALA A 32 56.098 38.146 7.275 1.00 0.00 H ATOM 395 HB3 ALA A 32 56.033 37.628 5.572 1.00 0.00 H ATOM 396 H ALA A 32 53.418 35.862 8.242 1.00 0.00 H TER 397 ALA A 32 ATOM 398 N SER A 49 55.109 48.329 -4.304 1.00 35.93 N ATOM 399 CA SER A 49 54.143 49.361 -4.656 1.00 35.73 C ATOM 400 C SER A 49 52.790 49.048 -4.057 1.00 35.06 C ATOM 401 O SER A 49 52.311 47.931 -4.243 1.00 36.03 O ATOM 402 CB SER A 49 53.985 49.420 -6.178 1.00 35.92 C ATOM 403 OG SER A 49 52.707 49.946 -6.520 1.00 37.28 O ATOM 404 HA SER A 49 54.506 50.313 -4.269 1.00 0.00 H ATOM 405 HB2 SER A 49 54.083 48.415 -6.590 1.00 0.00 H ATOM 406 HB3 SER A 49 54.762 50.060 -6.596 1.00 0.00 H ATOM 407 HG SER A 49 52.000 49.364 -6.143 1.00 0.00 H ATOM 408 HN3 SER A 49 54.782 47.411 -4.668 1.00 0.00 H ATOM 409 HN2 SER A 49 55.201 48.280 -3.269 1.00 0.00 H ATOM 410 HN1 SER A 49 56.031 48.561 -4.724 1.00 0.00 H ATOM 411 N GLU A 50 52.151 50.026 -3.415 1.00 32.23 N ATOM 412 CA GLU A 50 50.836 49.804 -2.823 1.00 31.37 C ATOM 413 C GLU A 50 49.642 49.677 -3.780 1.00 29.23 C ATOM 414 O GLU A 50 48.724 48.918 -3.489 1.00 29.06 O ATOM 415 CB GLU A 50 50.533 50.824 -1.716 1.00 31.56 C ATOM 416 CG GLU A 50 49.319 50.424 -0.788 1.00 36.27 C ATOM 417 CD GLU A 50 49.565 49.159 0.076 1.00 43.61 C ATOM 418 OE1 GLU A 50 50.738 48.902 0.464 1.00 44.11 O ATOM 419 OE2 GLU A 50 48.574 48.422 0.377 1.00 47.16 O ATOM 420 HA GLU A 50 50.937 48.803 -2.403 1.00 0.00 H ATOM 421 HB2 GLU A 50 51.421 50.928 -1.093 1.00 0.00 H ATOM 422 HB3 GLU A 50 50.305 51.781 -2.185 1.00 0.00 H ATOM 423 HG2 GLU A 50 49.111 51.259 -0.119 1.00 0.00 H ATOM 424 HG3 GLU A 50 48.451 50.242 -1.421 1.00 0.00 H ATOM 425 H GLU A 50 52.597 50.962 -3.335 1.00 0.00 H ATOM 426 N VAL A 51 49.627 50.442 -4.881 1.00 27.30 N ATOM 427 CA VAL A 51 48.642 50.246 -5.978 1.00 24.87 C ATOM 428 C VAL A 51 48.570 48.796 -6.467 1.00 23.07 C ATOM 429 O VAL A 51 47.484 48.290 -6.693 1.00 22.79 O ATOM 430 CB VAL A 51 48.905 51.179 -7.231 1.00 25.12 C ATOM 431 CG1 VAL A 51 47.786 51.048 -8.234 1.00 24.99 C ATOM 432 CG2 VAL A 51 48.974 52.649 -6.821 1.00 26.15 C ATOM 433 HA VAL A 51 47.690 50.521 -5.524 1.00 0.00 H ATOM 434 HB VAL A 51 49.854 50.864 -7.665 1.00 0.00 H ATOM 435 HG11 VAL A 51 47.721 50.013 -8.571 1.00 0.00 H ATOM 436 HG12 VAL A 51 46.845 51.339 -7.767 1.00 0.00 H ATOM 437 HG13 VAL A 51 47.986 51.697 -9.087 1.00 0.00 H ATOM 438 HG21 VAL A 51 48.030 52.941 -6.361 1.00 0.00 H ATOM 439 HG22 VAL A 51 49.786 52.788 -6.107 1.00 0.00 H ATOM 440 HG23 VAL A 51 49.155 53.263 -7.703 1.00 0.00 H ATOM 441 H VAL A 51 50.331 51.202 -4.971 1.00 0.00 H ATOM 442 N VAL A 52 49.721 48.152 -6.625 1.00 22.59 N ATOM 443 CA VAL A 52 49.814 46.768 -7.090 1.00 23.52 C ATOM 444 C VAL A 52 49.072 45.852 -6.107 1.00 22.69 C ATOM 445 O VAL A 52 48.257 45.035 -6.538 1.00 22.71 O ATOM 446 CB VAL A 52 51.288 46.309 -7.306 1.00 24.40 C ATOM 447 CG1 VAL A 52 51.404 44.832 -7.771 1.00 23.97 C ATOM 448 CG2 VAL A 52 51.912 47.170 -8.384 1.00 28.83 C ATOM 449 HA VAL A 52 49.338 46.703 -8.068 1.00 0.00 H ATOM 450 HB VAL A 52 51.793 46.406 -6.345 1.00 0.00 H ATOM 451 HG11 VAL A 52 50.961 44.180 -7.018 1.00 0.00 H ATOM 452 HG12 VAL A 52 50.877 44.708 -8.717 1.00 0.00 H ATOM 453 HG13 VAL A 52 52.455 44.575 -7.903 1.00 0.00 H ATOM 454 HG21 VAL A 52 51.349 47.056 -9.310 1.00 0.00 H ATOM 455 HG22 VAL A 52 51.891 48.214 -8.071 1.00 0.00 H ATOM 456 HG23 VAL A 52 52.944 46.858 -8.544 1.00 0.00 H ATOM 457 H VAL A 52 50.603 48.658 -6.407 1.00 0.00 H ATOM 458 N HIS A 53 49.335 46.011 -4.817 1.00 21.83 N ATOM 459 CA HIS A 53 48.732 45.161 -3.781 1.00 21.68 C ATOM 460 C HIS A 53 47.222 45.310 -3.749 1.00 21.65 C ATOM 461 O HIS A 53 46.518 44.333 -3.709 1.00 21.45 O ATOM 462 CB HIS A 53 49.331 45.457 -2.387 1.00 22.17 C ATOM 463 CG HIS A 53 50.812 45.245 -2.330 1.00 22.43 C ATOM 464 ND1 HIS A 53 51.408 44.102 -2.808 1.00 22.64 N ATOM 465 CD2 HIS A 53 51.815 46.054 -1.930 1.00 21.45 C ATOM 466 CE1 HIS A 53 52.720 44.191 -2.662 1.00 22.52 C ATOM 467 NE2 HIS A 53 52.991 45.364 -2.115 1.00 25.53 N ATOM 468 HA HIS A 53 48.966 44.129 -4.040 1.00 0.00 H ATOM 469 HB2 HIS A 53 49.118 46.495 -2.130 1.00 0.00 H ATOM 470 HB3 HIS A 53 48.857 44.799 -1.658 1.00 0.00 H ATOM 471 HD2 HIS A 53 51.713 47.065 -1.535 1.00 0.00 H ATOM 472 HE1 HIS A 53 53.449 43.431 -2.943 1.00 0.00 H ATOM 473 H HIS A 53 49.991 46.764 -4.528 1.00 0.00 H ATOM 474 N LYS A 54 46.736 46.548 -3.772 1.00 21.17 N ATOM 475 CA LYS A 54 45.276 46.801 -3.804 1.00 20.40 C ATOM 476 C LYS A 54 44.583 46.346 -5.096 1.00 19.06 C ATOM 477 O LYS A 54 43.422 45.888 -5.067 1.00 17.83 O ATOM 478 CB LYS A 54 44.996 48.290 -3.548 1.00 20.27 C ATOM 479 CG LYS A 54 45.248 48.730 -2.104 1.00 24.44 C ATOM 480 CD LYS A 54 45.707 50.215 -2.029 1.00 28.43 C ATOM 481 HA LYS A 54 44.848 46.190 -3.009 1.00 0.00 H ATOM 482 HB2 LYS A 54 45.639 48.878 -4.203 1.00 0.00 H ATOM 483 HB3 LYS A 54 43.952 48.490 -3.791 1.00 0.00 H ATOM 484 HG2 LYS A 54 44.327 48.615 -1.533 1.00 0.00 H ATOM 485 HG3 LYS A 54 46.023 48.098 -1.671 1.00 0.00 H ATOM 486 HD2 LYS A 54 46.632 50.337 -2.593 1.00 0.00 H ATOM 487 HD3 LYS A 54 44.934 50.855 -2.454 1.00 0.00 H ATOM 488 H LYS A 54 47.393 47.354 -3.767 1.00 0.00 H ATOM 489 N THR A 55 45.268 46.502 -6.223 1.00 17.56 N ATOM 490 CA THR A 55 44.693 46.116 -7.491 1.00 19.47 C ATOM 491 C THR A 55 44.562 44.583 -7.619 1.00 19.80 C ATOM 492 O THR A 55 43.587 44.077 -8.176 1.00 18.76 O ATOM 493 CB THR A 55 45.527 46.630 -8.707 1.00 19.35 C ATOM 494 OG1 THR A 55 45.673 48.044 -8.629 1.00 20.03 O ATOM 495 CG2 THR A 55 44.808 46.356 -9.979 1.00 20.25 C ATOM 496 HA THR A 55 43.706 46.578 -7.510 1.00 0.00 H ATOM 497 HB THR A 55 46.492 46.124 -8.684 1.00 0.00 H ATOM 498 HG1 THR A 55 46.139 48.281 -7.788 1.00 0.00 H ATOM 499 HG23 THR A 55 44.668 45.281 -10.091 1.00 0.00 H ATOM 500 HG21 THR A 55 43.837 46.850 -9.960 1.00 0.00 H ATOM 501 HG22 THR A 55 45.394 46.737 -10.815 1.00 0.00 H ATOM 502 H THR A 55 46.226 46.905 -6.193 1.00 0.00 H ATOM 503 N LEU A 56 45.581 43.865 -7.153 1.00 19.92 N ATOM 504 CA LEU A 56 45.519 42.405 -7.168 1.00 21.40 C ATOM 505 C LEU A 56 44.433 41.842 -6.213 1.00 21.63 C ATOM 506 O LEU A 56 43.749 40.877 -6.520 1.00 22.52 O ATOM 507 CB LEU A 56 46.907 41.852 -6.822 1.00 21.12 C ATOM 508 CG LEU A 56 47.076 40.330 -6.863 1.00 21.23 C ATOM 509 CD1 LEU A 56 46.719 39.697 -8.248 1.00 19.85 C ATOM 510 CD2 LEU A 56 48.524 40.097 -6.467 1.00 22.22 C ATOM 511 HA LEU A 56 45.228 42.081 -8.167 1.00 0.00 H ATOM 512 HB2 LEU A 56 47.618 42.282 -7.527 1.00 0.00 H ATOM 513 HB3 LEU A 56 47.152 42.184 -5.813 1.00 0.00 H ATOM 514 HG LEU A 56 46.379 39.837 -6.185 1.00 0.00 H ATOM 515 HD21 LEU A 56 49.179 40.599 -7.179 1.00 0.00 H ATOM 516 HD22 LEU A 56 48.695 40.499 -5.468 1.00 0.00 H ATOM 517 HD23 LEU A 56 48.733 39.027 -6.470 1.00 0.00 H ATOM 518 HD11 LEU A 56 45.679 39.916 -8.489 1.00 0.00 H ATOM 519 HD12 LEU A 56 47.368 40.118 -9.016 1.00 0.00 H ATOM 520 HD13 LEU A 56 46.863 38.618 -8.201 1.00 0.00 H ATOM 521 H LEU A 56 46.424 44.344 -6.777 1.00 0.00 H ATOM 522 N ARG A 57 44.281 42.485 -5.072 1.00 22.26 N ATOM 523 CA ARG A 57 43.274 42.175 -4.086 1.00 24.01 C ATOM 524 C ARG A 57 41.893 42.321 -4.677 1.00 24.09 C ATOM 525 O ARG A 57 41.054 41.422 -4.561 1.00 22.91 O ATOM 526 CB ARG A 57 43.444 43.174 -2.920 1.00 24.70 C ATOM 527 CG ARG A 57 42.485 43.060 -1.812 1.00 28.16 C ATOM 528 CD ARG A 57 43.314 43.349 -0.583 1.00 34.33 C ATOM 529 NE ARG A 57 43.188 44.708 -0.092 1.00 37.10 N ATOM 530 CZ ARG A 57 44.044 45.299 0.742 1.00 39.09 C ATOM 531 NH1 ARG A 57 45.157 44.687 1.143 1.00 39.45 N ATOM 532 NH2 ARG A 57 43.794 46.533 1.157 1.00 39.42 N ATOM 533 HA ARG A 57 43.389 41.147 -3.743 1.00 0.00 H ATOM 534 HB2 ARG A 57 44.444 43.036 -2.508 1.00 0.00 H ATOM 535 HB3 ARG A 57 43.358 44.180 -3.331 1.00 0.00 H ATOM 536 HG2 ARG A 57 41.681 43.788 -1.918 1.00 0.00 H ATOM 537 HG3 ARG A 57 42.061 42.057 -1.767 1.00 0.00 H ATOM 538 HD2 ARG A 57 44.361 43.168 -0.825 1.00 0.00 H ATOM 539 HD3 ARG A 57 43.002 42.668 0.209 1.00 0.00 H ATOM 540 HE ARG A 57 42.369 45.262 -0.414 1.00 0.00 H ATOM 541 HH12 ARG A 57 45.810 45.169 1.794 1.00 0.00 H ATOM 542 HH11 ARG A 57 45.374 43.728 0.805 1.00 0.00 H ATOM 543 HH22 ARG A 57 44.453 47.006 1.808 1.00 0.00 H ATOM 544 HH21 ARG A 57 42.939 47.028 0.832 1.00 0.00 H ATOM 545 H ARG A 57 44.932 43.270 -4.868 1.00 0.00 H ATOM 546 N GLU A 58 41.640 43.457 -5.315 1.00 24.71 N ATOM 547 CA GLU A 58 40.343 43.634 -5.984 1.00 25.03 C ATOM 548 C GLU A 58 40.182 42.634 -7.152 1.00 24.28 C ATOM 549 O GLU A 58 39.114 42.063 -7.320 1.00 23.78 O ATOM 550 CB GLU A 58 40.171 45.067 -6.464 1.00 25.89 C ATOM 551 CG GLU A 58 38.939 45.293 -7.367 1.00 30.00 C ATOM 552 CD GLU A 58 37.629 45.220 -6.573 1.00 39.62 C ATOM 553 OE1 GLU A 58 37.606 45.675 -5.408 1.00 41.92 O ATOM 554 OE2 GLU A 58 36.636 44.684 -7.100 1.00 42.37 O ATOM 555 HA GLU A 58 39.558 43.427 -5.257 1.00 0.00 H ATOM 556 HB2 GLU A 58 40.076 45.711 -5.590 1.00 0.00 H ATOM 557 HB3 GLU A 58 41.062 45.348 -7.026 1.00 0.00 H ATOM 558 HG2 GLU A 58 39.017 46.277 -7.830 1.00 0.00 H ATOM 559 HG3 GLU A 58 38.925 44.527 -8.143 1.00 0.00 H ATOM 560 H GLU A 58 42.352 44.214 -5.341 1.00 0.00 H ATOM 561 N ALA A 59 41.229 42.426 -7.955 1.00 23.45 N ATOM 562 CA ALA A 59 41.160 41.409 -9.041 1.00 24.04 C ATOM 563 C ALA A 59 40.801 40.013 -8.482 1.00 24.06 C ATOM 564 O ALA A 59 39.903 39.350 -9.006 1.00 24.05 O ATOM 565 CB ALA A 59 42.485 41.365 -9.857 1.00 23.41 C ATOM 566 HA ALA A 59 40.362 41.707 -9.721 1.00 0.00 H ATOM 567 HB1 ALA A 59 42.666 42.342 -10.306 1.00 0.00 H ATOM 568 HB2 ALA A 59 43.311 41.110 -9.193 1.00 0.00 H ATOM 569 HB3 ALA A 59 42.402 40.613 -10.642 1.00 0.00 H ATOM 570 H ALA A 59 42.100 42.979 -7.821 1.00 0.00 H ATOM 571 N GLY A 60 41.493 39.630 -7.405 1.00 23.52 N ATOM 572 CA GLY A 60 41.253 38.400 -6.635 1.00 24.99 C ATOM 573 C GLY A 60 39.831 38.234 -6.120 1.00 25.05 C ATOM 574 O GLY A 60 39.188 37.208 -6.369 1.00 23.26 O ATOM 575 HA3 GLY A 60 41.926 38.400 -5.778 1.00 0.00 H ATOM 576 HA2 GLY A 60 41.483 37.549 -7.276 1.00 0.00 H ATOM 577 H GLY A 60 42.263 40.252 -7.086 1.00 0.00 H ATOM 578 N ASP A 61 39.332 39.264 -5.440 1.00 26.92 N ATOM 579 CA ASP A 61 37.916 39.339 -5.037 1.00 28.87 C ATOM 580 C ASP A 61 36.911 39.267 -6.206 1.00 29.16 C ATOM 581 O ASP A 61 35.882 38.604 -6.090 1.00 30.27 O ATOM 582 CB ASP A 61 37.661 40.603 -4.230 1.00 29.30 C ATOM 583 CG ASP A 61 38.404 40.605 -2.919 1.00 33.70 C ATOM 584 OD1 ASP A 61 38.974 39.552 -2.565 1.00 36.09 O ATOM 585 OD2 ASP A 61 38.420 41.662 -2.229 1.00 39.50 O ATOM 586 HA ASP A 61 37.744 38.450 -4.430 1.00 0.00 H ATOM 587 HB2 ASP A 61 37.982 41.464 -4.816 1.00 0.00 H ATOM 588 HB3 ASP A 61 36.593 40.680 -4.028 1.00 0.00 H ATOM 589 H ASP A 61 39.966 40.047 -5.183 1.00 0.00 H ATOM 590 N ASP A 62 37.169 39.967 -7.313 1.00 28.72 N ATOM 591 CA ASP A 62 36.274 39.872 -8.457 1.00 28.84 C ATOM 592 C ASP A 62 36.248 38.451 -8.954 1.00 28.66 C ATOM 593 O ASP A 62 35.191 37.961 -9.332 1.00 29.04 O ATOM 594 CB ASP A 62 36.718 40.747 -9.634 1.00 29.40 C ATOM 595 CG ASP A 62 36.591 42.204 -9.358 1.00 32.49 C ATOM 596 OD1 ASP A 62 35.843 42.564 -8.441 1.00 31.98 O ATOM 597 OD2 ASP A 62 37.261 42.998 -10.070 1.00 37.43 O ATOM 598 HA ASP A 62 35.297 40.211 -8.113 1.00 0.00 H ATOM 599 HB2 ASP A 62 37.762 40.525 -9.857 1.00 0.00 H ATOM 600 HB3 ASP A 62 36.103 40.503 -10.500 1.00 0.00 H ATOM 601 H ASP A 62 38.008 40.579 -7.358 1.00 0.00 H ATOM 602 N PHE A 63 37.420 37.825 -9.014 1.00 26.98 N ATOM 603 CA PHE A 63 37.552 36.449 -9.447 1.00 28.20 C ATOM 604 C PHE A 63 36.762 35.475 -8.571 1.00 28.63 C ATOM 605 O PHE A 63 36.008 34.673 -9.114 1.00 28.98 O ATOM 606 CB PHE A 63 39.034 36.008 -9.533 1.00 27.41 C ATOM 607 CG PHE A 63 39.240 34.690 -10.244 1.00 27.99 C ATOM 608 CD1 PHE A 63 39.302 34.646 -11.619 1.00 27.03 C ATOM 609 CD2 PHE A 63 39.431 33.505 -9.531 1.00 28.35 C ATOM 610 CE1 PHE A 63 39.513 33.448 -12.269 1.00 27.63 C ATOM 611 CE2 PHE A 63 39.651 32.287 -10.180 1.00 24.11 C ATOM 612 CZ PHE A 63 39.690 32.259 -11.532 1.00 27.03 C ATOM 613 HA PHE A 63 37.123 36.414 -10.448 1.00 0.00 H ATOM 614 HB2 PHE A 63 39.591 36.777 -10.068 1.00 0.00 H ATOM 615 HB3 PHE A 63 39.425 35.916 -8.520 1.00 0.00 H ATOM 616 HD2 PHE A 63 39.408 33.530 -8.442 1.00 0.00 H ATOM 617 HE2 PHE A 63 39.789 31.372 -9.604 1.00 0.00 H ATOM 618 HZ PHE A 63 39.858 31.316 -12.052 1.00 0.00 H ATOM 619 HE1 PHE A 63 39.543 33.420 -13.358 1.00 0.00 H ATOM 620 HD1 PHE A 63 39.184 35.563 -12.197 1.00 0.00 H ATOM 621 H PHE A 63 38.277 38.345 -8.739 1.00 0.00 H ATOM 622 N SER A 64 36.926 35.522 -7.247 1.00 30.21 N ATOM 623 CA SER A 64 36.184 34.561 -6.411 1.00 31.74 C ATOM 624 C SER A 64 34.673 34.796 -6.386 1.00 32.69 C ATOM 625 O SER A 64 33.906 33.837 -6.291 1.00 32.97 O ATOM 626 CB SER A 64 36.813 34.279 -5.032 1.00 32.21 C ATOM 627 OG SER A 64 37.394 35.390 -4.433 1.00 33.83 O ATOM 628 HA SER A 64 36.301 33.612 -6.935 1.00 0.00 H ATOM 629 HB2 SER A 64 37.582 33.516 -5.156 1.00 0.00 H ATOM 630 HB3 SER A 64 36.033 33.903 -4.371 1.00 0.00 H ATOM 631 HG SER A 64 38.114 35.739 -5.016 1.00 0.00 H ATOM 632 H SER A 64 37.563 36.221 -6.815 1.00 0.00 H ATOM 633 N ARG A 65 34.249 36.052 -6.569 1.00 32.91 N ATOM 634 CA ARG A 65 32.839 36.355 -6.859 1.00 33.55 C ATOM 635 C ARG A 65 32.315 35.741 -8.151 1.00 33.19 C ATOM 636 O ARG A 65 31.244 35.169 -8.154 1.00 32.18 O ATOM 637 CB ARG A 65 32.598 37.858 -6.885 1.00 34.17 C ATOM 638 CG ARG A 65 32.407 38.454 -5.499 1.00 36.80 C ATOM 639 CD ARG A 65 31.725 39.832 -5.585 1.00 44.68 C ATOM 640 NE ARG A 65 32.646 40.819 -6.142 1.00 49.44 N ATOM 641 CZ ARG A 65 33.553 41.477 -5.424 1.00 52.64 C ATOM 642 NH1 ARG A 65 33.643 41.269 -4.101 1.00 52.19 N ATOM 643 NH2 ARG A 65 34.362 42.345 -6.030 1.00 53.21 N ATOM 644 HA ARG A 65 32.282 35.893 -6.044 1.00 0.00 H ATOM 645 HB2 ARG A 65 33.456 38.339 -7.355 1.00 0.00 H ATOM 646 HB3 ARG A 65 31.703 38.056 -7.475 1.00 0.00 H ATOM 647 HG2 ARG A 65 31.786 37.784 -4.904 1.00 0.00 H ATOM 648 HG3 ARG A 65 33.380 38.566 -5.021 1.00 0.00 H ATOM 649 HD2 ARG A 65 31.421 40.146 -4.586 1.00 0.00 H ATOM 650 HD3 ARG A 65 30.846 39.759 -6.225 1.00 0.00 H ATOM 651 HE ARG A 65 32.590 41.020 -7.161 1.00 0.00 H ATOM 652 HH12 ARG A 65 34.352 41.784 -3.541 1.00 0.00 H ATOM 653 HH11 ARG A 65 33.004 40.593 -3.636 1.00 0.00 H ATOM 654 HH22 ARG A 65 35.074 42.864 -5.478 1.00 0.00 H ATOM 655 HH21 ARG A 65 34.281 42.503 -7.055 1.00 0.00 H ATOM 656 H ARG A 65 34.933 36.833 -6.505 1.00 0.00 H ATOM 657 N ARG A 66 33.081 35.855 -9.235 1.00 32.53 N ATOM 658 CA ARG A 66 32.684 35.343 -10.557 1.00 33.19 C ATOM 659 C ARG A 66 32.516 33.811 -10.557 1.00 32.71 C ATOM 660 O ARG A 66 31.597 33.287 -11.205 1.00 31.98 O ATOM 661 CB ARG A 66 33.663 35.850 -11.628 1.00 33.82 C ATOM 662 CG ARG A 66 33.733 35.085 -12.970 1.00 36.86 C ATOM 663 CD ARG A 66 32.530 35.304 -13.883 1.00 43.75 C ATOM 664 NE ARG A 66 32.440 34.271 -14.936 1.00 48.64 N ATOM 665 CZ ARG A 66 31.800 33.103 -14.804 1.00 50.98 C ATOM 666 NH1 ARG A 66 31.176 32.794 -13.669 1.00 52.23 N ATOM 667 NH2 ARG A 66 31.782 32.226 -15.804 1.00 51.67 N ATOM 668 HA ARG A 66 31.698 35.734 -10.806 1.00 0.00 H ATOM 669 HB2 ARG A 66 33.389 36.880 -11.856 1.00 0.00 H ATOM 670 HB3 ARG A 66 34.661 35.829 -11.191 1.00 0.00 H ATOM 671 HG2 ARG A 66 34.628 35.409 -13.501 1.00 0.00 H ATOM 672 HG3 ARG A 66 33.807 34.020 -12.752 1.00 0.00 H ATOM 673 HD2 ARG A 66 32.620 36.282 -14.356 1.00 0.00 H ATOM 674 HD3 ARG A 66 31.621 35.274 -13.282 1.00 0.00 H ATOM 675 HE ARG A 66 32.907 34.466 -15.844 1.00 0.00 H ATOM 676 HH12 ARG A 66 30.682 31.883 -13.578 1.00 0.00 H ATOM 677 HH11 ARG A 66 31.183 33.463 -12.873 1.00 0.00 H ATOM 678 HH22 ARG A 66 31.282 31.321 -15.693 1.00 0.00 H ATOM 679 HH21 ARG A 66 32.268 32.446 -16.697 1.00 0.00 H ATOM 680 H ARG A 66 34.003 36.328 -9.143 1.00 0.00 H ATOM 681 N TYR A 67 33.358 33.120 -9.768 1.00 32.11 N ATOM 682 CA TYR A 67 33.337 31.652 -9.628 1.00 31.93 C ATOM 683 C TYR A 67 32.956 31.213 -8.198 1.00 32.35 C ATOM 684 O TYR A 67 33.505 30.264 -7.676 1.00 31.44 O ATOM 685 CB TYR A 67 34.691 31.067 -10.033 1.00 32.90 C ATOM 686 CG TYR A 67 35.044 31.369 -11.473 1.00 33.77 C ATOM 687 CD1 TYR A 67 34.359 30.734 -12.526 1.00 33.91 C ATOM 688 CD2 TYR A 67 36.018 32.305 -11.783 1.00 32.83 C ATOM 689 CE1 TYR A 67 34.643 31.019 -13.861 1.00 34.12 C ATOM 690 CE2 TYR A 67 36.314 32.603 -13.123 1.00 36.25 C ATOM 691 CZ TYR A 67 35.616 31.955 -14.150 1.00 35.34 C ATOM 692 OH TYR A 67 35.903 32.245 -15.471 1.00 37.03 O ATOM 693 HA TYR A 67 32.568 31.265 -10.296 1.00 0.00 H ATOM 694 HB3 TYR A 67 34.659 29.986 -9.900 1.00 0.00 H ATOM 695 HB2 TYR A 67 35.462 31.489 -9.388 1.00 0.00 H ATOM 696 HD2 TYR A 67 36.557 32.812 -10.983 1.00 0.00 H ATOM 697 HE2 TYR A 67 37.084 33.336 -13.363 1.00 0.00 H ATOM 698 HE1 TYR A 67 34.106 30.512 -14.663 1.00 0.00 H ATOM 699 HD1 TYR A 67 33.587 30.001 -12.292 1.00 0.00 H ATOM 700 HH TYR A 67 35.322 31.702 -16.061 1.00 0.00 H ATOM 701 H TYR A 67 34.066 33.653 -9.224 1.00 0.00 H ATOM 702 N ARG A 68 31.999 31.903 -7.589 1.00 32.71 N ATOM 703 CA ARG A 68 31.662 31.711 -6.179 1.00 34.51 C ATOM 704 C ARG A 68 31.219 30.260 -5.844 1.00 35.03 C ATOM 705 O ARG A 68 31.733 29.663 -4.872 1.00 33.46 O ATOM 706 CB ARG A 68 30.602 32.740 -5.805 1.00 35.51 C ATOM 707 CG ARG A 68 30.249 32.818 -4.367 1.00 39.15 C ATOM 708 CD ARG A 68 29.289 33.968 -4.155 1.00 44.43 C ATOM 709 NE ARG A 68 29.989 35.204 -3.826 1.00 50.13 N ATOM 710 CZ ARG A 68 29.433 36.416 -3.823 1.00 51.44 C ATOM 711 NH1 ARG A 68 28.152 36.572 -4.147 1.00 51.57 N ATOM 712 NH2 ARG A 68 30.166 37.477 -3.494 1.00 50.95 N ATOM 713 HA ARG A 68 32.558 31.863 -5.578 1.00 0.00 H ATOM 714 HB2 ARG A 68 30.966 33.720 -6.113 1.00 0.00 H ATOM 715 HB3 ARG A 68 29.694 32.500 -6.359 1.00 0.00 H ATOM 716 HG2 ARG A 68 29.777 31.886 -4.055 1.00 0.00 H ATOM 717 HG3 ARG A 68 31.151 32.982 -3.778 1.00 0.00 H ATOM 718 HD2 ARG A 68 28.612 33.717 -3.338 1.00 0.00 H ATOM 719 HD3 ARG A 68 28.713 34.120 -5.068 1.00 0.00 H ATOM 720 HE ARG A 68 30.996 35.135 -3.575 1.00 0.00 H ATOM 721 HH12 ARG A 68 27.726 37.521 -4.142 1.00 0.00 H ATOM 722 HH11 ARG A 68 27.576 35.745 -4.405 1.00 0.00 H ATOM 723 HH22 ARG A 68 29.737 38.424 -3.490 1.00 0.00 H ATOM 724 HH21 ARG A 68 31.168 37.359 -3.241 1.00 0.00 H ATOM 725 H ARG A 68 31.467 32.609 -8.137 1.00 0.00 H ATOM 726 N ARG A 69 30.317 29.677 -6.660 1.00 34.85 N ATOM 727 CA ARG A 69 29.915 28.277 -6.419 1.00 36.11 C ATOM 728 C ARG A 69 31.025 27.290 -6.721 1.00 35.03 C ATOM 729 O ARG A 69 31.173 26.297 -6.023 1.00 35.06 O ATOM 730 CB ARG A 69 28.686 27.858 -7.228 1.00 36.69 C ATOM 731 CG ARG A 69 28.337 26.358 -7.039 1.00 38.56 C ATOM 732 CD ARG A 69 27.268 25.877 -7.991 1.00 39.83 C ATOM 733 NE ARG A 69 27.574 26.174 -9.397 1.00 47.76 N ATOM 734 CZ ARG A 69 26.639 26.314 -10.339 1.00 50.12 C ATOM 735 NH1 ARG A 69 26.975 26.584 -11.610 1.00 50.59 N ATOM 736 NH2 ARG A 69 25.355 26.191 -10.002 1.00 49.76 N ATOM 737 HA ARG A 69 29.675 28.249 -5.356 1.00 0.00 H ATOM 738 HB2 ARG A 69 27.835 28.459 -6.908 1.00 0.00 H ATOM 739 HB3 ARG A 69 28.883 28.042 -8.284 1.00 0.00 H ATOM 740 HG2 ARG A 69 29.239 25.768 -7.202 1.00 0.00 H ATOM 741 HG3 ARG A 69 27.986 26.209 -6.018 1.00 0.00 H ATOM 742 HD2 ARG A 69 26.327 26.362 -7.730 1.00 0.00 H ATOM 743 HD3 ARG A 69 27.163 24.798 -7.879 1.00 0.00 H ATOM 744 HE ARG A 69 28.571 26.281 -9.673 1.00 0.00 H ATOM 745 HH12 ARG A 69 26.234 26.690 -12.332 1.00 0.00 H ATOM 746 HH11 ARG A 69 27.976 26.687 -11.873 1.00 0.00 H ATOM 747 HH22 ARG A 69 24.615 26.297 -10.725 1.00 0.00 H ATOM 748 HH21 ARG A 69 25.093 25.989 -9.016 1.00 0.00 H ATOM 749 H ARG A 69 29.907 30.210 -7.454 1.00 0.00 H ATOM 750 N ASP A 70 31.764 27.520 -7.801 1.00 33.92 N ATOM 751 CA ASP A 70 32.883 26.647 -8.130 1.00 32.99 C ATOM 752 C ASP A 70 33.952 26.673 -7.037 1.00 31.83 C ATOM 753 O ASP A 70 34.547 25.640 -6.764 1.00 29.95 O ATOM 754 CB ASP A 70 33.471 26.989 -9.495 1.00 33.52 C ATOM 755 CG ASP A 70 32.464 26.821 -10.633 1.00 35.93 C ATOM 756 OD1 ASP A 70 31.521 26.002 -10.519 1.00 38.25 O ATOM 757 OD2 ASP A 70 32.621 27.510 -11.653 1.00 38.64 O ATOM 758 HA ASP A 70 32.499 25.628 -8.185 1.00 0.00 H ATOM 759 HB2 ASP A 70 33.809 28.025 -9.479 1.00 0.00 H ATOM 760 HB3 ASP A 70 34.321 26.333 -9.682 1.00 0.00 H ATOM 761 H ASP A 70 31.542 28.329 -8.416 1.00 0.00 H ATOM 762 N PHE A 71 34.176 27.831 -6.401 1.00 31.66 N ATOM 763 CA PHE A 71 35.141 27.909 -5.278 1.00 31.54 C ATOM 764 C PHE A 71 34.623 27.120 -4.095 1.00 32.76 C ATOM 765 O PHE A 71 35.381 26.401 -3.444 1.00 31.10 O ATOM 766 CB PHE A 71 35.503 29.353 -4.880 1.00 32.14 C ATOM 767 CG PHE A 71 36.746 29.867 -5.573 1.00 29.91 C ATOM 768 CD1 PHE A 71 37.987 29.307 -5.303 1.00 29.72 C ATOM 769 CD2 PHE A 71 36.674 30.881 -6.491 1.00 31.85 C ATOM 770 CE1 PHE A 71 39.138 29.734 -5.951 1.00 30.90 C ATOM 771 CE2 PHE A 71 37.831 31.323 -7.152 1.00 32.88 C ATOM 772 CZ PHE A 71 39.062 30.748 -6.864 1.00 30.86 C ATOM 773 HA PHE A 71 36.073 27.463 -5.625 1.00 0.00 H ATOM 774 HB2 PHE A 71 34.668 30.004 -5.138 1.00 0.00 H ATOM 775 HB3 PHE A 71 35.668 29.385 -3.803 1.00 0.00 H ATOM 776 HD2 PHE A 71 35.713 31.347 -6.709 1.00 0.00 H ATOM 777 HE2 PHE A 71 37.763 32.119 -7.893 1.00 0.00 H ATOM 778 HZ PHE A 71 39.963 31.104 -7.364 1.00 0.00 H ATOM 779 HE1 PHE A 71 40.097 29.263 -5.733 1.00 0.00 H ATOM 780 HD1 PHE A 71 38.060 28.511 -4.562 1.00 0.00 H ATOM 781 H PHE A 71 33.666 28.687 -6.699 1.00 0.00 H ATOM 782 N ALA A 72 33.310 27.215 -3.865 1.00 34.28 N ATOM 783 CA ALA A 72 32.640 26.459 -2.813 1.00 37.36 C ATOM 784 C ALA A 72 32.748 24.965 -3.048 1.00 38.68 C ATOM 785 O ALA A 72 32.959 24.220 -2.121 1.00 39.82 O ATOM 786 CB ALA A 72 31.161 26.892 -2.679 1.00 37.25 C ATOM 787 HA ALA A 72 33.146 26.682 -1.874 1.00 0.00 H ATOM 788 HB1 ALA A 72 31.115 27.953 -2.433 1.00 0.00 H ATOM 789 HB2 ALA A 72 30.645 26.714 -3.622 1.00 0.00 H ATOM 790 HB3 ALA A 72 30.685 26.313 -1.888 1.00 0.00 H ATOM 791 H ALA A 72 32.744 27.853 -4.460 1.00 0.00 H ATOM 792 N GLU A 73 32.644 24.538 -4.299 1.00 41.30 N ATOM 793 CA GLU A 73 32.778 23.119 -4.676 1.00 43.57 C ATOM 794 C GLU A 73 34.201 22.583 -4.592 1.00 44.33 C ATOM 795 O GLU A 73 34.398 21.412 -4.244 1.00 45.22 O ATOM 796 CB GLU A 73 32.225 22.857 -6.072 1.00 42.82 C ATOM 797 CG GLU A 73 30.712 22.885 -6.177 1.00 45.07 C ATOM 798 CD GLU A 73 30.228 22.844 -7.627 1.00 46.30 C ATOM 799 OE1 GLU A 73 31.072 22.713 -8.562 1.00 49.84 O ATOM 800 OE2 GLU A 73 28.995 22.937 -7.834 1.00 50.33 O ATOM 801 HA GLU A 73 32.188 22.581 -3.934 1.00 0.00 H ATOM 802 HB2 GLU A 73 32.625 23.617 -6.743 1.00 0.00 H ATOM 803 HB3 GLU A 73 32.569 21.874 -6.393 1.00 0.00 H ATOM 804 HG2 GLU A 73 30.308 22.022 -5.648 1.00 0.00 H ATOM 805 HG3 GLU A 73 30.345 23.799 -5.711 1.00 0.00 H ATOM 806 H GLU A 73 32.460 25.236 -5.048 1.00 0.00 H ATOM 807 N MET A 74 35.184 23.419 -4.929 1.00 45.02 N ATOM 808 CA MET A 74 36.596 23.052 -4.823 1.00 45.76 C ATOM 809 C MET A 74 37.072 22.880 -3.359 1.00 46.47 C ATOM 810 O MET A 74 37.839 21.957 -3.060 1.00 45.93 O ATOM 811 CB MET A 74 37.468 24.078 -5.566 1.00 45.82 C ATOM 812 CG MET A 74 38.985 23.884 -5.384 1.00 45.63 C ATOM 813 SD MET A 74 39.918 25.432 -5.437 1.00 46.32 S ATOM 814 CE MET A 74 39.755 25.837 -7.150 1.00 39.79 C ATOM 815 HA MET A 74 36.706 22.075 -5.294 1.00 0.00 H ATOM 816 HB2 MET A 74 37.242 24.009 -6.630 1.00 0.00 H ATOM 817 HB3 MET A 74 37.207 25.072 -5.204 1.00 0.00 H ATOM 818 HG2 MET A 74 39.348 23.234 -6.180 1.00 0.00 H ATOM 819 HG3 MET A 74 39.160 23.408 -4.419 1.00 0.00 H ATOM 820 HE1 MET A 74 40.188 25.039 -7.753 1.00 0.00 H ATOM 821 HE2 MET A 74 38.699 25.949 -7.397 1.00 0.00 H ATOM 822 HE3 MET A 74 40.278 26.772 -7.352 1.00 0.00 H ATOM 823 H MET A 74 34.938 24.366 -5.280 1.00 0.00 H ATOM 824 N SER A 75 36.657 23.778 -2.461 1.00 47.30 N ATOM 825 CA SER A 75 36.927 23.599 -1.023 1.00 48.48 C ATOM 826 C SER A 75 36.290 22.314 -0.509 1.00 49.37 C ATOM 827 O SER A 75 36.983 21.399 -0.057 1.00 49.87 O ATOM 828 CB SER A 75 36.442 24.790 -0.213 1.00 48.46 C ATOM 829 OG SER A 75 37.286 25.904 -0.454 1.00 48.31 O ATOM 830 HA SER A 75 38.008 23.527 -0.899 1.00 0.00 H ATOM 831 HB2 SER A 75 36.464 24.541 0.848 1.00 0.00 H ATOM 832 HB3 SER A 75 35.422 25.037 -0.506 1.00 0.00 H ATOM 833 HG SER A 75 36.968 26.678 0.075 1.00 0.00 H ATOM 834 H SER A 75 36.134 24.618 -2.782 1.00 0.00 H ATOM 835 N SER A 76 34.972 22.225 -0.615 1.00 50.09 N ATOM 836 CA SER A 76 34.273 20.972 -0.373 1.00 50.97 C ATOM 837 C SER A 76 34.797 19.857 -1.308 1.00 50.96 C ATOM 838 O SER A 76 34.056 19.333 -2.140 1.00 51.25 O ATOM 839 CB SER A 76 32.765 21.191 -0.558 1.00 51.16 C ATOM 840 OG SER A 76 32.041 19.975 -0.473 1.00 53.30 O ATOM 841 HA SER A 76 34.460 20.647 0.650 1.00 0.00 H ATOM 842 HB2 SER A 76 32.591 21.638 -1.537 1.00 0.00 H ATOM 843 HB3 SER A 76 32.409 21.869 0.218 1.00 0.00 H ATOM 844 HG SER A 76 32.354 19.356 -1.179 1.00 0.00 H ATOM 845 H SER A 76 34.425 23.070 -0.877 1.00 0.00 H ATOM 846 N GLY A 77 36.083 19.515 -1.191 1.00 50.10 N ATOM 847 CA GLY A 77 36.671 18.543 -2.101 1.00 48.86 C ATOM 848 C GLY A 77 38.180 18.634 -2.210 1.00 48.28 C ATOM 849 O GLY A 77 38.785 17.935 -3.042 1.00 48.98 O ATOM 850 HA3 GLY A 77 36.245 18.700 -3.092 1.00 0.00 H ATOM 851 HA2 GLY A 77 36.412 17.544 -1.750 1.00 0.00 H ATOM 852 H GLY A 77 36.667 19.945 -0.446 1.00 0.00 H ATOM 853 N LEU A 78 38.798 19.474 -1.372 1.00 46.73 N ATOM 854 CA LEU A 78 40.234 19.760 -1.482 1.00 45.70 C ATOM 855 C LEU A 78 41.164 18.697 -0.851 1.00 44.20 C ATOM 856 O LEU A 78 42.350 18.580 -1.221 1.00 44.83 O ATOM 857 CB LEU A 78 40.540 21.149 -0.921 1.00 45.74 C ATOM 858 CG LEU A 78 41.781 21.860 -1.450 1.00 47.56 C ATOM 859 CD1 LEU A 78 41.503 22.534 -2.791 1.00 49.13 C ATOM 860 CD2 LEU A 78 42.255 22.901 -0.446 1.00 48.94 C ATOM 861 HA LEU A 78 40.456 19.727 -2.549 1.00 0.00 H ATOM 862 HB2 LEU A 78 39.681 21.785 -1.136 1.00 0.00 H ATOM 863 HB3 LEU A 78 40.655 21.048 0.158 1.00 0.00 H ATOM 864 HG LEU A 78 42.559 21.111 -1.596 1.00 0.00 H ATOM 865 HD21 LEU A 78 41.464 23.633 -0.283 1.00 0.00 H ATOM 866 HD22 LEU A 78 42.497 22.411 0.497 1.00 0.00 H ATOM 867 HD23 LEU A 78 43.142 23.402 -0.835 1.00 0.00 H ATOM 868 HD11 LEU A 78 41.197 21.782 -3.518 1.00 0.00 H ATOM 869 HD12 LEU A 78 40.707 23.268 -2.669 1.00 0.00 H ATOM 870 HD13 LEU A 78 42.408 23.032 -3.141 1.00 0.00 H ATOM 871 H LEU A 78 38.246 19.937 -0.622 1.00 0.00 H ATOM 872 N HIS A 79 40.634 17.930 0.089 1.00 41.78 N ATOM 873 CA HIS A 79 41.434 16.913 0.794 1.00 40.31 C ATOM 874 C HIS A 79 42.874 17.335 1.128 1.00 37.50 C ATOM 875 O HIS A 79 43.835 16.612 0.835 1.00 38.98 O ATOM 876 CB HIS A 79 41.430 15.596 0.008 1.00 41.03 C ATOM 877 CG HIS A 79 40.056 15.074 -0.263 1.00 44.37 C ATOM 878 ND1 HIS A 79 39.611 14.759 -1.532 1.00 48.73 N ATOM 879 CD2 HIS A 79 39.010 14.859 0.567 1.00 47.02 C ATOM 880 CE1 HIS A 79 38.357 14.347 -1.465 1.00 48.76 C ATOM 881 NE2 HIS A 79 37.967 14.404 -0.203 1.00 48.15 N ATOM 882 HA HIS A 79 40.946 16.781 1.760 1.00 0.00 H ATOM 883 HB2 HIS A 79 41.932 15.760 -0.945 1.00 0.00 H ATOM 884 HB3 HIS A 79 41.978 14.848 0.582 1.00 0.00 H ATOM 885 HD2 HIS A 79 38.997 15.017 1.645 1.00 0.00 H ATOM 886 HE1 HIS A 79 37.748 14.017 -2.307 1.00 0.00 H ATOM 887 H HIS A 79 39.631 18.048 0.335 1.00 0.00 H ATOM 888 N LEU A 80 43.022 18.488 1.763 1.00 32.90 N ATOM 889 CA LEU A 80 44.326 19.060 2.008 1.00 28.93 C ATOM 890 C LEU A 80 45.003 18.513 3.278 1.00 26.58 C ATOM 891 O LEU A 80 44.411 18.544 4.347 1.00 25.70 O ATOM 892 CB LEU A 80 44.158 20.577 2.080 1.00 28.81 C ATOM 893 CG LEU A 80 45.387 21.441 2.293 1.00 28.58 C ATOM 894 CD1 LEU A 80 46.260 21.377 1.060 1.00 30.79 C ATOM 895 CD2 LEU A 80 44.944 22.865 2.577 1.00 29.62 C ATOM 896 HA LEU A 80 44.992 18.779 1.192 1.00 0.00 H ATOM 897 HB2 LEU A 80 43.703 20.894 1.142 1.00 0.00 H ATOM 898 HB3 LEU A 80 43.474 20.785 2.903 1.00 0.00 H ATOM 899 HG LEU A 80 45.967 21.080 3.143 1.00 0.00 H ATOM 900 HD21 LEU A 80 44.371 23.242 1.730 1.00 0.00 H ATOM 901 HD22 LEU A 80 44.323 22.879 3.473 1.00 0.00 H ATOM 902 HD23 LEU A 80 45.821 23.493 2.731 1.00 0.00 H ATOM 903 HD11 LEU A 80 46.564 20.345 0.885 1.00 0.00 H ATOM 904 HD12 LEU A 80 45.699 21.743 0.200 1.00 0.00 H ATOM 905 HD13 LEU A 80 47.144 21.997 1.210 1.00 0.00 H ATOM 906 H LEU A 80 42.177 18.995 2.094 1.00 0.00 H ATOM 907 N THR A 81 46.229 17.998 3.177 1.00 23.62 N ATOM 908 CA THR A 81 47.013 17.680 4.391 1.00 21.82 C ATOM 909 C THR A 81 48.462 18.050 4.104 1.00 21.32 C ATOM 910 O THR A 81 48.783 18.372 2.978 1.00 21.41 O ATOM 911 CB THR A 81 46.964 16.159 4.818 1.00 20.94 C ATOM 912 OG1 THR A 81 47.828 15.410 3.972 1.00 17.83 O ATOM 913 CG2 THR A 81 45.579 15.588 4.715 1.00 18.86 C ATOM 914 HA THR A 81 46.577 18.243 5.216 1.00 0.00 H ATOM 915 HB THR A 81 47.281 16.097 5.859 1.00 0.00 H ATOM 916 HG1 THR A 81 47.801 14.456 4.236 1.00 0.00 H ATOM 917 HG23 THR A 81 44.905 16.153 5.359 1.00 0.00 H ATOM 918 HG21 THR A 81 45.236 15.653 3.682 1.00 0.00 H ATOM 919 HG22 THR A 81 45.593 14.544 5.029 1.00 0.00 H ATOM 920 H THR A 81 46.637 17.818 2.238 1.00 0.00 H ATOM 921 N PRO A 82 49.332 18.043 5.127 1.00 21.32 N ATOM 922 CA PRO A 82 50.757 18.241 4.810 1.00 20.62 C ATOM 923 C PRO A 82 51.412 17.209 3.882 1.00 21.11 C ATOM 924 O PRO A 82 52.496 17.502 3.336 1.00 20.71 O ATOM 925 CB PRO A 82 51.421 18.228 6.182 1.00 20.71 C ATOM 926 CG PRO A 82 50.323 18.669 7.143 1.00 20.16 C ATOM 927 CD PRO A 82 49.107 17.952 6.581 1.00 20.50 C ATOM 928 HA PRO A 82 50.875 19.159 4.235 1.00 0.00 H ATOM 929 HD3 PRO A 82 49.073 16.914 6.911 1.00 0.00 H ATOM 930 HD2 PRO A 82 48.184 18.454 6.870 1.00 0.00 H ATOM 931 HG3 PRO A 82 50.190 19.751 7.124 1.00 0.00 H ATOM 932 HG2 PRO A 82 50.536 18.349 8.163 1.00 0.00 H ATOM 933 HB2 PRO A 82 51.772 17.226 6.431 1.00 0.00 H ATOM 934 HB3 PRO A 82 52.260 18.923 6.211 1.00 0.00 H ATOM 935 N PHE A 83 50.785 16.040 3.690 1.00 20.58 N ATOM 936 CA PHE A 83 51.320 14.993 2.783 1.00 21.05 C ATOM 937 C PHE A 83 50.929 15.226 1.365 1.00 21.21 C ATOM 938 O PHE A 83 51.551 14.700 0.429 1.00 21.60 O ATOM 939 CB PHE A 83 50.807 13.605 3.175 1.00 21.24 C ATOM 940 CG PHE A 83 51.103 13.244 4.596 1.00 20.15 C ATOM 941 CD1 PHE A 83 52.392 13.142 5.024 1.00 17.94 C ATOM 942 CD2 PHE A 83 50.082 13.041 5.505 1.00 19.26 C ATOM 943 CE1 PHE A 83 52.669 12.818 6.364 1.00 22.59 C ATOM 944 CE2 PHE A 83 50.373 12.697 6.844 1.00 20.98 C ATOM 945 CZ PHE A 83 51.667 12.604 7.258 1.00 18.18 C ATOM 946 HA PHE A 83 52.405 15.044 2.880 1.00 0.00 H ATOM 947 HB2 PHE A 83 49.727 13.581 3.030 1.00 0.00 H ATOM 948 HB3 PHE A 83 51.276 12.866 2.525 1.00 0.00 H ATOM 949 HD2 PHE A 83 49.045 13.147 5.187 1.00 0.00 H ATOM 950 HE2 PHE A 83 49.561 12.506 7.546 1.00 0.00 H ATOM 951 HZ PHE A 83 51.897 12.361 8.295 1.00 0.00 H ATOM 952 HE1 PHE A 83 53.705 12.737 6.692 1.00 0.00 H ATOM 953 HD1 PHE A 83 53.211 13.312 4.326 1.00 0.00 H ATOM 954 H PHE A 83 49.893 15.860 4.194 1.00 0.00 H ATOM 955 N THR A 84 49.850 15.979 1.173 1.00 21.02 N ATOM 956 CA THR A 84 49.425 16.260 -0.187 1.00 19.78 C ATOM 957 C THR A 84 49.625 17.699 -0.692 1.00 20.75 C ATOM 958 O THR A 84 49.432 17.897 -1.889 1.00 20.82 O ATOM 959 CB THR A 84 47.957 15.950 -0.406 1.00 20.04 C ATOM 960 OG1 THR A 84 47.146 16.790 0.417 1.00 20.92 O ATOM 961 CG2 THR A 84 47.658 14.501 -0.128 1.00 21.65 C ATOM 962 HA THR A 84 50.089 15.605 -0.751 1.00 0.00 H ATOM 963 HB THR A 84 47.724 16.147 -1.452 1.00 0.00 H ATOM 964 HG1 THR A 84 46.191 16.577 0.264 1.00 0.00 H ATOM 965 HG23 THR A 84 48.284 13.874 -0.763 1.00 0.00 H ATOM 966 HG21 THR A 84 47.867 14.283 0.919 1.00 0.00 H ATOM 967 HG22 THR A 84 46.608 14.301 -0.340 1.00 0.00 H ATOM 968 H THR A 84 49.320 16.360 1.982 1.00 0.00 H ATOM 969 N ALA A 85 49.923 18.686 0.184 1.00 20.13 N ATOM 970 CA ALA A 85 49.830 20.137 -0.191 1.00 20.67 C ATOM 971 C ALA A 85 50.674 20.511 -1.400 1.00 21.16 C ATOM 972 O ALA A 85 50.178 21.105 -2.354 1.00 21.03 O ATOM 973 CB ALA A 85 50.196 21.038 0.995 1.00 20.35 C ATOM 974 HA ALA A 85 48.789 20.299 -0.469 1.00 0.00 H ATOM 975 HB1 ALA A 85 49.511 20.846 1.821 1.00 0.00 H ATOM 976 HB2 ALA A 85 51.217 20.824 1.311 1.00 0.00 H ATOM 977 HB3 ALA A 85 50.120 22.083 0.693 1.00 0.00 H ATOM 978 H ALA A 85 50.226 18.432 1.146 1.00 0.00 H ATOM 979 N ARG A 86 51.955 20.129 -1.363 1.00 22.19 N ATOM 980 CA ARG A 86 52.844 20.310 -2.493 1.00 23.06 C ATOM 981 C ARG A 86 52.392 19.704 -3.808 1.00 22.21 C ATOM 982 O ARG A 86 52.470 20.356 -4.859 1.00 21.38 O ATOM 983 CB ARG A 86 54.258 19.837 -2.174 1.00 23.86 C ATOM 984 CG ARG A 86 55.280 20.577 -3.084 1.00 28.55 C ATOM 985 CD ARG A 86 56.677 20.620 -2.505 1.00 38.43 C ATOM 986 NE ARG A 86 57.528 21.525 -3.290 1.00 45.66 N ATOM 987 CZ ARG A 86 58.684 22.042 -2.867 1.00 49.38 C ATOM 988 NH1 ARG A 86 59.132 21.763 -1.648 1.00 51.05 N ATOM 989 NH2 ARG A 86 59.387 22.858 -3.658 1.00 50.47 N ATOM 990 HA ARG A 86 52.823 21.388 -2.651 1.00 0.00 H ATOM 991 HB2 ARG A 86 54.484 20.049 -1.129 1.00 0.00 H ATOM 992 HB3 ARG A 86 54.329 18.763 -2.349 1.00 0.00 H ATOM 993 HG2 ARG A 86 55.320 20.066 -4.046 1.00 0.00 H ATOM 994 HG3 ARG A 86 54.935 21.600 -3.231 1.00 0.00 H ATOM 995 HD2 ARG A 86 57.105 19.618 -2.523 1.00 0.00 H ATOM 996 HD3 ARG A 86 56.629 20.974 -1.475 1.00 0.00 H ATOM 997 HE ARG A 86 57.206 21.782 -4.245 1.00 0.00 H ATOM 998 HH12 ARG A 86 60.033 22.167 -1.320 1.00 0.00 H ATOM 999 HH11 ARG A 86 58.582 21.141 -1.022 1.00 0.00 H ATOM 1000 HH22 ARG A 86 60.287 23.258 -3.324 1.00 0.00 H ATOM 1001 HH21 ARG A 86 59.034 23.093 -4.608 1.00 0.00 H ATOM 1002 H ARG A 86 52.325 19.688 -0.496 1.00 0.00 H ATOM 1003 N GLY A 87 51.939 18.454 -3.758 1.00 21.95 N ATOM 1004 CA GLY A 87 51.414 17.779 -4.956 1.00 20.20 C ATOM 1005 C GLY A 87 50.174 18.444 -5.478 1.00 20.20 C ATOM 1006 O GLY A 87 50.035 18.582 -6.672 1.00 19.36 O ATOM 1007 HA3 GLY A 87 51.179 16.745 -4.703 1.00 0.00 H ATOM 1008 HA2 GLY A 87 52.178 17.797 -5.734 1.00 0.00 H ATOM 1009 H GLY A 87 51.956 17.943 -2.853 1.00 0.00 H ATOM 1010 N ARG A 88 49.256 18.872 -4.602 1.00 20.37 N ATOM 1011 CA ARG A 88 48.040 19.566 -5.057 1.00 21.51 C ATOM 1012 C ARG A 88 48.436 20.870 -5.759 1.00 22.24 C ATOM 1013 O ARG A 88 47.921 21.180 -6.827 1.00 21.60 O ATOM 1014 CB ARG A 88 47.081 19.859 -3.887 1.00 21.54 C ATOM 1015 CG ARG A 88 45.738 20.475 -4.289 1.00 24.29 C ATOM 1016 CD ARG A 88 44.645 19.426 -4.585 1.00 27.48 C ATOM 1017 NE ARG A 88 45.100 18.476 -5.595 1.00 30.97 N ATOM 1018 CZ ARG A 88 44.624 18.405 -6.844 1.00 30.88 C ATOM 1019 NH1 ARG A 88 43.618 19.193 -7.233 1.00 31.06 N ATOM 1020 NH2 ARG A 88 45.138 17.534 -7.697 1.00 28.03 N ATOM 1021 HA ARG A 88 47.512 18.915 -5.754 1.00 0.00 H ATOM 1022 HB2 ARG A 88 46.881 18.920 -3.370 1.00 0.00 H ATOM 1023 HB3 ARG A 88 47.579 20.549 -3.206 1.00 0.00 H ATOM 1024 HG2 ARG A 88 45.393 21.113 -3.475 1.00 0.00 H ATOM 1025 HG3 ARG A 88 45.889 21.079 -5.184 1.00 0.00 H ATOM 1026 HD2 ARG A 88 43.751 19.933 -4.948 1.00 0.00 H ATOM 1027 HD3 ARG A 88 44.408 18.887 -3.668 1.00 0.00 H ATOM 1028 HE ARG A 88 45.848 17.806 -5.325 1.00 0.00 H ATOM 1029 HH12 ARG A 88 43.255 19.131 -8.206 1.00 0.00 H ATOM 1030 HH11 ARG A 88 43.198 19.869 -6.563 1.00 0.00 H ATOM 1031 HH22 ARG A 88 44.769 17.477 -8.668 1.00 0.00 H ATOM 1032 HH21 ARG A 88 45.911 16.906 -7.397 1.00 0.00 H ATOM 1033 H ARG A 88 49.404 18.712 -3.585 1.00 0.00 H ATOM 1034 N PHE A 89 49.354 21.620 -5.130 1.00 23.02 N ATOM 1035 CA PHE A 89 49.859 22.873 -5.683 1.00 22.41 C ATOM 1036 C PHE A 89 50.473 22.633 -7.074 1.00 22.42 C ATOM 1037 O PHE A 89 50.102 23.301 -8.018 1.00 19.69 O ATOM 1038 CB PHE A 89 50.921 23.546 -4.769 1.00 21.76 C ATOM 1039 CG PHE A 89 51.380 24.931 -5.282 1.00 22.25 C ATOM 1040 CD1 PHE A 89 50.641 26.078 -4.993 1.00 20.27 C ATOM 1041 CD2 PHE A 89 52.539 25.069 -6.066 1.00 23.69 C ATOM 1042 CE1 PHE A 89 51.030 27.338 -5.458 1.00 21.44 C ATOM 1043 CE2 PHE A 89 52.944 26.359 -6.557 1.00 22.54 C ATOM 1044 CZ PHE A 89 52.170 27.480 -6.235 1.00 21.82 C ATOM 1045 HA PHE A 89 49.006 23.547 -5.756 1.00 0.00 H ATOM 1046 HB2 PHE A 89 50.493 23.670 -3.774 1.00 0.00 H ATOM 1047 HB3 PHE A 89 51.791 22.893 -4.710 1.00 0.00 H ATOM 1048 HD2 PHE A 89 53.137 24.189 -6.304 1.00 0.00 H ATOM 1049 HE2 PHE A 89 53.839 26.462 -7.170 1.00 0.00 H ATOM 1050 HZ PHE A 89 52.464 28.466 -6.595 1.00 0.00 H ATOM 1051 HE1 PHE A 89 50.433 28.215 -5.208 1.00 0.00 H ATOM 1052 HD1 PHE A 89 49.738 25.990 -4.390 1.00 0.00 H ATOM 1053 H PHE A 89 49.720 21.296 -4.212 1.00 0.00 H ATOM 1054 N ALA A 90 51.444 21.718 -7.149 1.00 22.81 N ATOM 1055 CA ALA A 90 52.181 21.436 -8.390 1.00 24.19 C ATOM 1056 C ALA A 90 51.272 21.022 -9.545 1.00 25.23 C ATOM 1057 O ALA A 90 51.399 21.539 -10.665 1.00 25.82 O ATOM 1058 CB ALA A 90 53.276 20.367 -8.135 1.00 25.08 C ATOM 1059 HA ALA A 90 52.655 22.369 -8.696 1.00 0.00 H ATOM 1060 HB1 ALA A 90 53.973 20.735 -7.382 1.00 0.00 H ATOM 1061 HB2 ALA A 90 52.809 19.448 -7.781 1.00 0.00 H ATOM 1062 HB3 ALA A 90 53.812 20.170 -9.063 1.00 0.00 H ATOM 1063 H ALA A 90 51.689 21.182 -6.292 1.00 0.00 H ATOM 1064 N THR A 91 50.324 20.125 -9.282 1.00 25.33 N ATOM 1065 CA THR A 91 49.422 19.697 -10.352 1.00 26.20 C ATOM 1066 C THR A 91 48.426 20.771 -10.775 1.00 24.96 C ATOM 1067 O THR A 91 48.250 20.977 -11.962 1.00 23.58 O ATOM 1068 CB THR A 91 48.745 18.309 -10.113 1.00 26.88 C ATOM 1069 OG1 THR A 91 47.336 18.374 -10.422 1.00 29.38 O ATOM 1070 CG2 THR A 91 48.869 17.955 -8.756 1.00 28.22 C ATOM 1071 HA THR A 91 50.083 19.544 -11.205 1.00 0.00 H ATOM 1072 HB THR A 91 49.234 17.576 -10.755 1.00 0.00 H ATOM 1073 HG1 THR A 91 46.924 17.488 -10.265 1.00 0.00 H ATOM 1074 HG23 THR A 91 49.925 17.898 -8.492 1.00 0.00 H ATOM 1075 HG21 THR A 91 48.379 18.708 -8.139 1.00 0.00 H ATOM 1076 HG22 THR A 91 48.399 16.986 -8.590 1.00 0.00 H ATOM 1077 H THR A 91 50.225 19.732 -8.324 1.00 0.00 H ATOM 1078 N VAL A 92 47.804 21.474 -9.821 1.00 24.41 N ATOM 1079 CA VAL A 92 46.926 22.573 -10.183 1.00 24.49 C ATOM 1080 C VAL A 92 47.664 23.692 -10.988 1.00 24.35 C ATOM 1081 O VAL A 92 47.187 24.139 -12.024 1.00 24.38 O ATOM 1082 CB VAL A 92 46.172 23.147 -8.955 1.00 25.29 C ATOM 1083 CG1 VAL A 92 45.380 24.421 -9.355 1.00 24.13 C ATOM 1084 CG2 VAL A 92 45.252 22.096 -8.416 1.00 23.50 C ATOM 1085 HA VAL A 92 46.175 22.154 -10.852 1.00 0.00 H ATOM 1086 HB VAL A 92 46.888 23.429 -8.183 1.00 0.00 H ATOM 1087 HG11 VAL A 92 46.072 25.174 -9.732 1.00 0.00 H ATOM 1088 HG12 VAL A 92 44.657 24.169 -10.131 1.00 0.00 H ATOM 1089 HG13 VAL A 92 44.857 24.811 -8.482 1.00 0.00 H ATOM 1090 HG21 VAL A 92 44.537 21.810 -9.188 1.00 0.00 H ATOM 1091 HG22 VAL A 92 45.834 21.224 -8.117 1.00 0.00 H ATOM 1092 HG23 VAL A 92 44.718 22.491 -7.552 1.00 0.00 H ATOM 1093 H VAL A 92 47.949 21.233 -8.820 1.00 0.00 H ATOM 1094 N VAL A 93 48.836 24.096 -10.532 1.00 24.91 N ATOM 1095 CA VAL A 93 49.544 25.206 -11.167 1.00 25.52 C ATOM 1096 C VAL A 93 49.967 24.799 -12.601 1.00 26.44 C ATOM 1097 O VAL A 93 49.715 25.525 -13.567 1.00 26.37 O ATOM 1098 CB VAL A 93 50.712 25.684 -10.319 1.00 24.76 C ATOM 1099 CG1 VAL A 93 51.422 26.743 -11.007 1.00 25.23 C ATOM 1100 CG2 VAL A 93 50.191 26.272 -8.975 1.00 26.50 C ATOM 1101 HA VAL A 93 48.872 26.060 -11.247 1.00 0.00 H ATOM 1102 HB VAL A 93 51.369 24.833 -10.138 1.00 0.00 H ATOM 1103 HG11 VAL A 93 51.798 26.368 -11.959 1.00 0.00 H ATOM 1104 HG12 VAL A 93 50.743 27.577 -11.187 1.00 0.00 H ATOM 1105 HG13 VAL A 93 52.257 27.079 -10.392 1.00 0.00 H ATOM 1106 HG21 VAL A 93 49.529 27.113 -9.180 1.00 0.00 H ATOM 1107 HG22 VAL A 93 49.644 25.502 -8.431 1.00 0.00 H ATOM 1108 HG23 VAL A 93 51.036 26.611 -8.376 1.00 0.00 H ATOM 1109 H VAL A 93 49.260 23.619 -9.711 1.00 0.00 H ATOM 1110 N GLU A 94 50.574 23.626 -12.737 1.00 27.59 N ATOM 1111 CA GLU A 94 50.803 23.067 -14.064 1.00 29.18 C ATOM 1112 C GLU A 94 49.548 23.033 -14.991 1.00 28.83 C ATOM 1113 O GLU A 94 49.659 23.482 -16.127 1.00 29.20 O ATOM 1114 CB GLU A 94 51.626 21.774 -13.999 1.00 30.22 C ATOM 1115 CG GLU A 94 52.050 21.238 -15.361 1.00 34.91 C ATOM 1116 CD GLU A 94 51.338 19.976 -15.642 1.00 39.72 C ATOM 1117 OE1 GLU A 94 51.790 18.938 -15.102 1.00 45.53 O ATOM 1118 OE2 GLU A 94 50.296 20.014 -16.315 1.00 40.07 O ATOM 1119 HA GLU A 94 51.433 23.780 -14.596 1.00 0.00 H ATOM 1120 HB2 GLU A 94 52.524 21.968 -13.413 1.00 0.00 H ATOM 1121 HB3 GLU A 94 51.027 21.011 -13.502 1.00 0.00 H ATOM 1122 HG2 GLU A 94 51.807 21.971 -16.131 1.00 0.00 H ATOM 1123 HG3 GLU A 94 53.125 21.056 -15.361 1.00 0.00 H ATOM 1124 H GLU A 94 50.887 23.104 -11.894 1.00 0.00 H ATOM 1125 N GLU A 95 48.370 22.594 -14.515 1.00 28.71 N ATOM 1126 CA GLU A 95 47.128 22.624 -15.329 1.00 29.71 C ATOM 1127 C GLU A 95 46.702 24.031 -15.722 1.00 28.38 C ATOM 1128 O GLU A 95 46.314 24.283 -16.872 1.00 29.04 O ATOM 1129 CB GLU A 95 45.904 22.002 -14.650 1.00 29.34 C ATOM 1130 CG GLU A 95 46.031 20.615 -14.050 1.00 34.88 C ATOM 1131 CD GLU A 95 44.857 20.271 -13.102 1.00 35.58 C ATOM 1132 OE1 GLU A 95 44.374 21.145 -12.323 1.00 41.96 O ATOM 1133 OE2 GLU A 95 44.389 19.104 -13.148 1.00 46.66 O ATOM 1134 HA GLU A 95 47.416 22.033 -16.198 1.00 0.00 H ATOM 1135 HB2 GLU A 95 45.607 22.674 -13.845 1.00 0.00 H ATOM 1136 HB3 GLU A 95 45.111 21.958 -15.396 1.00 0.00 H ATOM 1137 HG2 GLU A 95 46.054 19.884 -14.859 1.00 0.00 H ATOM 1138 HG3 GLU A 95 46.963 20.561 -13.487 1.00 0.00 H ATOM 1139 H GLU A 95 48.327 22.221 -13.545 1.00 0.00 H ATOM 1140 N LEU A 96 46.720 24.925 -14.738 1.00 26.81 N ATOM 1141 CA LEU A 96 46.356 26.321 -14.915 1.00 24.98 C ATOM 1142 C LEU A 96 47.075 27.022 -16.069 1.00 24.59 C ATOM 1143 O LEU A 96 46.435 27.757 -16.838 1.00 24.93 O ATOM 1144 CB LEU A 96 46.612 27.084 -13.604 1.00 24.17 C ATOM 1145 CG LEU A 96 46.399 28.587 -13.595 1.00 22.05 C ATOM 1146 CD1 LEU A 96 44.978 28.905 -14.056 1.00 18.48 C ATOM 1147 CD2 LEU A 96 46.644 29.066 -12.168 1.00 20.13 C ATOM 1148 HA LEU A 96 45.298 26.328 -15.177 1.00 0.00 H ATOM 1149 HB2 LEU A 96 45.951 26.659 -12.848 1.00 0.00 H ATOM 1150 HB3 LEU A 96 47.649 26.903 -13.321 1.00 0.00 H ATOM 1151 HG LEU A 96 47.082 29.095 -14.276 1.00 0.00 H ATOM 1152 HD21 LEU A 96 45.942 28.574 -11.495 1.00 0.00 H ATOM 1153 HD22 LEU A 96 47.664 28.820 -11.874 1.00 0.00 H ATOM 1154 HD23 LEU A 96 46.500 30.145 -12.119 1.00 0.00 H ATOM 1155 HD11 LEU A 96 44.831 28.523 -15.066 1.00 0.00 H ATOM 1156 HD12 LEU A 96 44.264 28.433 -13.381 1.00 0.00 H ATOM 1157 HD13 LEU A 96 44.828 29.985 -14.049 1.00 0.00 H ATOM 1158 H LEU A 96 47.010 24.608 -13.791 1.00 0.00 H ATOM 1159 N PHE A 97 48.383 26.819 -16.181 1.00 24.74 N ATOM 1160 CA PHE A 97 49.158 27.476 -17.225 1.00 25.66 C ATOM 1161 C PHE A 97 49.526 26.587 -18.415 1.00 27.78 C ATOM 1162 O PHE A 97 50.342 26.991 -19.274 1.00 27.11 O ATOM 1163 CB PHE A 97 50.417 28.094 -16.643 1.00 24.91 C ATOM 1164 CG PHE A 97 50.140 29.204 -15.672 1.00 25.10 C ATOM 1165 CD1 PHE A 97 50.415 29.049 -14.304 1.00 22.63 C ATOM 1166 CD2 PHE A 97 49.572 30.377 -16.101 1.00 23.76 C ATOM 1167 CE1 PHE A 97 50.140 30.072 -13.398 1.00 19.59 C ATOM 1168 CE2 PHE A 97 49.291 31.412 -15.178 1.00 22.36 C ATOM 1169 CZ PHE A 97 49.591 31.247 -13.834 1.00 20.91 C ATOM 1170 HA PHE A 97 48.496 28.246 -17.622 1.00 0.00 H ATOM 1171 HB2 PHE A 97 50.978 27.315 -16.127 1.00 0.00 H ATOM 1172 HB3 PHE A 97 51.017 28.492 -17.461 1.00 0.00 H ATOM 1173 HD2 PHE A 97 49.336 30.512 -17.157 1.00 0.00 H ATOM 1174 HE2 PHE A 97 48.838 32.341 -15.524 1.00 0.00 H ATOM 1175 HZ PHE A 97 49.390 32.052 -13.127 1.00 0.00 H ATOM 1176 HE1 PHE A 97 50.363 29.936 -12.340 1.00 0.00 H ATOM 1177 HD1 PHE A 97 50.850 28.116 -13.945 1.00 0.00 H ATOM 1178 H PHE A 97 48.861 26.181 -15.513 1.00 0.00 H ATOM 1179 N ARG A 98 48.894 25.417 -18.491 1.00 28.95 N ATOM 1180 CA ARG A 98 49.172 24.441 -19.570 1.00 31.21 C ATOM 1181 C ARG A 98 49.014 25.042 -20.957 1.00 29.58 C ATOM 1182 O ARG A 98 49.874 24.845 -21.784 1.00 29.48 O ATOM 1183 CB ARG A 98 48.316 23.158 -19.451 1.00 30.75 C ATOM 1184 CG ARG A 98 48.897 21.960 -20.294 1.00 32.12 C ATOM 1185 CD ARG A 98 48.011 20.685 -20.177 1.00 35.41 C ATOM 1186 NE ARG A 98 47.726 20.340 -18.774 1.00 44.30 N ATOM 1187 CZ ARG A 98 47.205 19.192 -18.342 1.00 48.52 C ATOM 1188 NH1 ARG A 98 46.899 18.202 -19.192 1.00 48.58 N ATOM 1189 NH2 ARG A 98 46.996 19.030 -17.028 1.00 51.28 N ATOM 1190 HA ARG A 98 50.217 24.163 -19.437 1.00 0.00 H ATOM 1191 HB2 ARG A 98 48.276 22.861 -18.403 1.00 0.00 H ATOM 1192 HB3 ARG A 98 47.308 23.377 -19.804 1.00 0.00 H ATOM 1193 HG2 ARG A 98 48.950 22.258 -21.341 1.00 0.00 H ATOM 1194 HG3 ARG A 98 49.899 21.728 -19.933 1.00 0.00 H ATOM 1195 HD2 ARG A 98 48.531 19.850 -20.647 1.00 0.00 H ATOM 1196 HD3 ARG A 98 47.068 20.862 -20.695 1.00 0.00 H ATOM 1197 HE ARG A 98 47.952 21.057 -18.055 1.00 0.00 H ATOM 1198 HH12 ARG A 98 46.493 17.315 -18.832 1.00 0.00 H ATOM 1199 HH11 ARG A 98 47.067 18.321 -20.211 1.00 0.00 H ATOM 1200 HH22 ARG A 98 46.590 18.141 -16.672 1.00 0.00 H ATOM 1201 HH21 ARG A 98 47.240 19.793 -16.365 1.00 0.00 H ATOM 1202 H ARG A 98 48.183 25.181 -17.770 1.00 0.00 H ATOM 1203 N ASP A 99 47.922 25.769 -21.183 1.00 29.07 N ATOM 1204 CA ASP A 99 47.642 26.458 -22.468 1.00 28.70 C ATOM 1205 C ASP A 99 48.231 27.895 -22.501 1.00 27.10 C ATOM 1206 O ASP A 99 47.768 28.736 -23.243 1.00 26.58 O ATOM 1207 CB ASP A 99 46.122 26.552 -22.722 1.00 29.23 C ATOM 1208 CG ASP A 99 45.441 25.175 -22.842 1.00 32.57 C ATOM 1209 OD1 ASP A 99 46.069 24.212 -23.283 1.00 33.58 O ATOM 1210 OD2 ASP A 99 44.264 25.049 -22.449 1.00 40.14 O ATOM 1211 HA ASP A 99 48.119 25.861 -23.246 1.00 0.00 H ATOM 1212 HB2 ASP A 99 45.665 27.094 -21.894 1.00 0.00 H ATOM 1213 HB3 ASP A 99 45.959 27.102 -23.649 1.00 0.00 H ATOM 1214 H ASP A 99 47.226 25.859 -20.416 1.00 0.00 H ATOM 1215 N GLY A 100 49.266 28.148 -21.712 1.00 25.77 N ATOM 1216 CA GLY A 100 49.902 29.447 -21.691 1.00 24.96 C ATOM 1217 C GLY A 100 49.424 30.353 -20.549 1.00 24.17 C ATOM 1218 O GLY A 100 48.568 29.989 -19.689 1.00 24.26 O ATOM 1219 HA3 GLY A 100 49.694 29.947 -22.637 1.00 0.00 H ATOM 1220 HA2 GLY A 100 50.977 29.302 -21.587 1.00 0.00 H ATOM 1221 H GLY A 100 49.629 27.395 -21.094 1.00 0.00 H ATOM 1222 N VAL A 101 49.963 31.559 -20.562 1.00 23.12 N ATOM 1223 CA VAL A 101 49.746 32.542 -19.514 1.00 20.97 C ATOM 1224 C VAL A 101 48.889 33.687 -20.014 1.00 20.66 C ATOM 1225 O VAL A 101 48.959 34.066 -21.176 1.00 20.07 O ATOM 1226 CB VAL A 101 51.156 33.074 -19.013 1.00 21.10 C ATOM 1227 CG1 VAL A 101 51.014 34.049 -17.871 1.00 18.34 C ATOM 1228 CG2 VAL A 101 52.064 31.877 -18.570 1.00 18.67 C ATOM 1229 HA VAL A 101 49.215 32.075 -18.685 1.00 0.00 H ATOM 1230 HB VAL A 101 51.620 33.597 -19.849 1.00 0.00 H ATOM 1231 HG11 VAL A 101 50.421 34.904 -18.196 1.00 0.00 H ATOM 1232 HG12 VAL A 101 50.517 33.557 -17.035 1.00 0.00 H ATOM 1233 HG13 VAL A 101 52.002 34.388 -17.559 1.00 0.00 H ATOM 1234 HG21 VAL A 101 51.579 31.336 -17.758 1.00 0.00 H ATOM 1235 HG22 VAL A 101 52.217 31.206 -19.415 1.00 0.00 H ATOM 1236 HG23 VAL A 101 53.026 32.259 -18.230 1.00 0.00 H ATOM 1237 H VAL A 101 50.574 31.818 -21.363 1.00 0.00 H ATOM 1238 N ASN A 102 48.057 34.220 -19.129 1.00 21.31 N ATOM 1239 CA ASN A 102 47.429 35.539 -19.306 1.00 21.26 C ATOM 1240 C ASN A 102 47.201 36.112 -17.914 1.00 21.35 C ATOM 1241 O ASN A 102 47.330 35.378 -16.907 1.00 20.39 O ATOM 1242 CB ASN A 102 46.161 35.546 -20.190 1.00 20.51 C ATOM 1243 CG ASN A 102 45.050 34.625 -19.693 1.00 21.44 C ATOM 1244 OD1 ASN A 102 44.672 34.632 -18.518 1.00 20.10 O ATOM 1245 ND2 ASN A 102 44.480 33.859 -20.623 1.00 20.09 N ATOM 1246 HA ASN A 102 48.102 36.177 -19.879 1.00 0.00 H ATOM 1247 HB2 ASN A 102 45.773 36.564 -20.224 1.00 0.00 H ATOM 1248 HB3 ASN A 102 46.442 35.232 -21.195 1.00 0.00 H ATOM 1249 HD22 ASN A 102 44.829 33.883 -21.602 1.00 0.00 H ATOM 1250 HD21 ASN A 102 43.686 33.237 -20.369 1.00 0.00 H ATOM 1251 H ASN A 102 47.838 33.679 -18.268 1.00 0.00 H ATOM 1252 N TRP A 103 46.943 37.414 -17.850 1.00 20.20 N ATOM 1253 CA TRP A 103 46.695 38.064 -16.578 1.00 19.23 C ATOM 1254 C TRP A 103 45.561 37.424 -15.804 1.00 19.53 C ATOM 1255 O TRP A 103 45.669 37.281 -14.596 1.00 20.01 O ATOM 1256 CB TRP A 103 46.464 39.545 -16.766 1.00 17.70 C ATOM 1257 CG TRP A 103 47.758 40.339 -17.092 1.00 16.72 C ATOM 1258 CD1 TRP A 103 48.000 41.093 -18.212 1.00 12.99 C ATOM 1259 CD2 TRP A 103 48.909 40.481 -16.247 1.00 17.45 C ATOM 1260 NE1 TRP A 103 49.237 41.695 -18.121 1.00 17.32 N ATOM 1261 CE2 TRP A 103 49.816 41.356 -16.923 1.00 16.18 C ATOM 1262 CE3 TRP A 103 49.259 39.973 -14.955 1.00 16.26 C ATOM 1263 CZ2 TRP A 103 51.072 41.697 -16.394 1.00 18.07 C ATOM 1264 CZ3 TRP A 103 50.510 40.302 -14.429 1.00 13.91 C ATOM 1265 CH2 TRP A 103 51.406 41.168 -15.137 1.00 15.05 C ATOM 1266 HA TRP A 103 47.593 37.929 -15.975 1.00 0.00 H ATOM 1267 HB2 TRP A 103 45.759 39.683 -17.586 1.00 0.00 H ATOM 1268 HB3 TRP A 103 46.035 39.947 -15.848 1.00 0.00 H ATOM 1269 HE1 TRP A 103 49.664 42.308 -18.845 1.00 0.00 H ATOM 1270 HD1 TRP A 103 47.314 41.201 -19.052 1.00 0.00 H ATOM 1271 HZ2 TRP A 103 51.759 42.346 -16.937 1.00 0.00 H ATOM 1272 HH2 TRP A 103 52.367 41.421 -14.690 1.00 0.00 H ATOM 1273 HZ3 TRP A 103 50.810 39.893 -13.464 1.00 0.00 H ATOM 1274 HE3 TRP A 103 48.566 39.345 -14.396 1.00 0.00 H ATOM 1275 H TRP A 103 46.919 37.975 -18.725 1.00 0.00 H ATOM 1276 N GLY A 104 44.502 36.974 -16.485 1.00 20.12 N ATOM 1277 CA GLY A 104 43.386 36.309 -15.771 1.00 19.10 C ATOM 1278 C GLY A 104 43.787 35.027 -15.040 1.00 18.71 C ATOM 1279 O GLY A 104 43.241 34.709 -13.982 1.00 21.08 O ATOM 1280 HA3 GLY A 104 42.613 36.061 -16.499 1.00 0.00 H ATOM 1281 HA2 GLY A 104 42.983 37.009 -15.039 1.00 0.00 H ATOM 1282 H GLY A 104 44.461 37.091 -17.518 1.00 0.00 H ATOM 1283 N ARG A 105 44.713 34.289 -15.626 1.00 18.10 N ATOM 1284 CA ARG A 105 45.243 33.059 -15.092 1.00 18.39 C ATOM 1285 C ARG A 105 46.268 33.294 -13.977 1.00 17.59 C ATOM 1286 O ARG A 105 46.395 32.460 -13.082 1.00 17.16 O ATOM 1287 CB ARG A 105 45.869 32.229 -16.212 1.00 17.17 C ATOM 1288 CG ARG A 105 44.841 31.638 -17.174 1.00 20.83 C ATOM 1289 CD ARG A 105 45.492 30.712 -18.237 1.00 19.54 C ATOM 1290 NE ARG A 105 44.480 30.398 -19.242 1.00 21.38 N ATOM 1291 CZ ARG A 105 44.697 30.176 -20.536 1.00 23.19 C ATOM 1292 NH1 ARG A 105 45.921 30.169 -21.037 1.00 23.96 N ATOM 1293 NH2 ARG A 105 43.667 29.946 -21.333 1.00 21.53 N ATOM 1294 HA ARG A 105 44.408 32.515 -14.651 1.00 0.00 H ATOM 1295 HB2 ARG A 105 46.546 32.868 -16.779 1.00 0.00 H ATOM 1296 HB3 ARG A 105 46.433 31.411 -15.763 1.00 0.00 H ATOM 1297 HG2 ARG A 105 44.117 31.059 -16.601 1.00 0.00 H ATOM 1298 HG3 ARG A 105 44.330 32.454 -17.685 1.00 0.00 H ATOM 1299 HD2 ARG A 105 45.842 29.794 -17.764 1.00 0.00 H ATOM 1300 HD3 ARG A 105 46.334 31.221 -18.706 1.00 0.00 H ATOM 1301 HE ARG A 105 43.494 30.343 -18.915 1.00 0.00 H ATOM 1302 HH12 ARG A 105 46.067 29.993 -22.052 1.00 0.00 H ATOM 1303 HH11 ARG A 105 46.738 30.339 -20.416 1.00 0.00 H ATOM 1304 HH22 ARG A 105 43.822 29.771 -22.346 1.00 0.00 H ATOM 1305 HH21 ARG A 105 42.702 29.940 -20.946 1.00 0.00 H ATOM 1306 H ARG A 105 45.087 34.619 -16.539 1.00 0.00 H ATOM 1307 N ILE A 106 47.029 34.384 -14.064 1.00 16.99 N ATOM 1308 CA ILE A 106 47.847 34.858 -12.932 1.00 17.50 C ATOM 1309 C ILE A 106 46.968 35.275 -11.740 1.00 17.71 C ATOM 1310 O ILE A 106 47.302 34.970 -10.608 1.00 18.64 O ATOM 1311 CB ILE A 106 48.815 35.964 -13.372 1.00 17.89 C ATOM 1312 CG1 ILE A 106 49.884 35.345 -14.290 1.00 18.53 C ATOM 1313 CG2 ILE A 106 49.515 36.694 -12.175 1.00 18.30 C ATOM 1314 CD1 ILE A 106 50.642 36.393 -15.083 1.00 18.99 C ATOM 1315 HA ILE A 106 48.461 34.027 -12.585 1.00 0.00 H ATOM 1316 HB ILE A 106 48.228 36.720 -13.894 1.00 0.00 H ATOM 1317 HG12 ILE A 106 50.593 34.789 -13.677 1.00 0.00 H ATOM 1318 HG13 ILE A 106 49.396 34.664 -14.987 1.00 0.00 H ATOM 1319 HD11 ILE A 106 49.943 36.950 -15.707 1.00 0.00 H ATOM 1320 HD12 ILE A 106 51.142 37.076 -14.396 1.00 0.00 H ATOM 1321 HD13 ILE A 106 51.384 35.903 -15.714 1.00 0.00 H ATOM 1322 HG21 ILE A 106 48.759 37.155 -11.540 1.00 0.00 H ATOM 1323 HG22 ILE A 106 50.087 35.970 -11.594 1.00 0.00 H ATOM 1324 HG23 ILE A 106 50.184 37.463 -12.561 1.00 0.00 H ATOM 1325 H ILE A 106 47.047 34.917 -14.957 1.00 0.00 H ATOM 1326 N VAL A 107 45.845 35.938 -12.002 1.00 17.69 N ATOM 1327 CA VAL A 107 44.823 36.195 -10.964 1.00 18.35 C ATOM 1328 C VAL A 107 44.291 34.904 -10.312 1.00 18.20 C ATOM 1329 O VAL A 107 44.213 34.810 -9.090 1.00 20.08 O ATOM 1330 CB VAL A 107 43.688 37.121 -11.471 1.00 17.52 C ATOM 1331 CG1 VAL A 107 42.571 37.279 -10.392 1.00 17.97 C ATOM 1332 CG2 VAL A 107 44.255 38.546 -11.804 1.00 15.73 C ATOM 1333 HA VAL A 107 45.331 36.739 -10.168 1.00 0.00 H ATOM 1334 HB VAL A 107 43.268 36.663 -12.367 1.00 0.00 H ATOM 1335 HG11 VAL A 107 42.149 36.301 -10.162 1.00 0.00 H ATOM 1336 HG12 VAL A 107 42.999 37.713 -9.488 1.00 0.00 H ATOM 1337 HG13 VAL A 107 41.788 37.934 -10.775 1.00 0.00 H ATOM 1338 HG21 VAL A 107 44.694 38.980 -10.906 1.00 0.00 H ATOM 1339 HG22 VAL A 107 45.018 38.460 -12.578 1.00 0.00 H ATOM 1340 HG23 VAL A 107 43.445 39.184 -12.159 1.00 0.00 H ATOM 1341 H VAL A 107 45.680 36.287 -12.968 1.00 0.00 H ATOM 1342 N ALA A 108 43.961 33.914 -11.126 1.00 18.66 N ATOM 1343 CA ALA A 108 43.510 32.600 -10.652 1.00 18.66 C ATOM 1344 C ALA A 108 44.586 31.885 -9.835 1.00 18.59 C ATOM 1345 O ALA A 108 44.290 31.220 -8.823 1.00 19.19 O ATOM 1346 CB ALA A 108 43.143 31.748 -11.840 1.00 17.71 C ATOM 1347 HA ALA A 108 42.647 32.755 -10.004 1.00 0.00 H ATOM 1348 HB1 ALA A 108 42.342 32.232 -12.399 1.00 0.00 H ATOM 1349 HB2 ALA A 108 44.015 31.628 -12.483 1.00 0.00 H ATOM 1350 HB3 ALA A 108 42.807 30.770 -11.494 1.00 0.00 H ATOM 1351 H ALA A 108 44.024 34.075 -12.152 1.00 0.00 H ATOM 1352 N PHE A 109 45.827 31.977 -10.303 1.00 17.06 N ATOM 1353 CA PHE A 109 46.978 31.499 -9.541 1.00 17.46 C ATOM 1354 C PHE A 109 47.018 32.063 -8.111 1.00 16.54 C ATOM 1355 O PHE A 109 47.177 31.314 -7.149 1.00 16.06 O ATOM 1356 CB PHE A 109 48.266 31.899 -10.276 1.00 16.90 C ATOM 1357 CG PHE A 109 49.565 31.635 -9.498 1.00 16.79 C ATOM 1358 CD1 PHE A 109 50.101 30.342 -9.404 1.00 16.70 C ATOM 1359 CD2 PHE A 109 50.279 32.709 -8.922 1.00 20.37 C ATOM 1360 CE1 PHE A 109 51.351 30.125 -8.725 1.00 16.14 C ATOM 1361 CE2 PHE A 109 51.486 32.507 -8.263 1.00 18.27 C ATOM 1362 CZ PHE A 109 52.023 31.219 -8.178 1.00 16.98 C ATOM 1363 HA PHE A 109 46.891 30.415 -9.461 1.00 0.00 H ATOM 1364 HB2 PHE A 109 48.311 31.339 -11.210 1.00 0.00 H ATOM 1365 HB3 PHE A 109 48.213 32.965 -10.495 1.00 0.00 H ATOM 1366 HD2 PHE A 109 49.875 33.718 -8.996 1.00 0.00 H ATOM 1367 HE2 PHE A 109 52.012 33.350 -7.814 1.00 0.00 H ATOM 1368 HZ PHE A 109 52.979 31.067 -7.678 1.00 0.00 H ATOM 1369 HE1 PHE A 109 51.767 29.121 -8.639 1.00 0.00 H ATOM 1370 HD1 PHE A 109 49.569 29.500 -9.846 1.00 0.00 H ATOM 1371 H PHE A 109 45.983 32.402 -11.239 1.00 0.00 H ATOM 1372 N PHE A 110 46.922 33.383 -7.978 1.00 16.77 N ATOM 1373 CA PHE A 110 46.956 34.011 -6.639 1.00 17.64 C ATOM 1374 C PHE A 110 45.806 33.563 -5.816 1.00 18.37 C ATOM 1375 O PHE A 110 45.978 33.159 -4.642 1.00 19.83 O ATOM 1376 CB PHE A 110 47.013 35.535 -6.716 1.00 16.99 C ATOM 1377 CG PHE A 110 48.416 36.062 -6.857 1.00 16.81 C ATOM 1378 CD1 PHE A 110 48.949 36.344 -8.128 1.00 16.49 C ATOM 1379 CD2 PHE A 110 49.196 36.285 -5.729 1.00 17.99 C ATOM 1380 CE1 PHE A 110 50.283 36.840 -8.255 1.00 15.76 C ATOM 1381 CE2 PHE A 110 50.515 36.768 -5.833 1.00 16.96 C ATOM 1382 CZ PHE A 110 51.048 37.066 -7.070 1.00 20.87 C ATOM 1383 HA PHE A 110 47.876 33.683 -6.155 1.00 0.00 H ATOM 1384 HB2 PHE A 110 46.430 35.862 -7.577 1.00 0.00 H ATOM 1385 HB3 PHE A 110 46.576 35.946 -5.806 1.00 0.00 H ATOM 1386 HD2 PHE A 110 48.778 36.082 -4.743 1.00 0.00 H ATOM 1387 HE2 PHE A 110 51.116 36.907 -4.934 1.00 0.00 H ATOM 1388 HZ PHE A 110 52.056 37.475 -7.143 1.00 0.00 H ATOM 1389 HE1 PHE A 110 50.709 37.042 -9.238 1.00 0.00 H ATOM 1390 HD1 PHE A 110 48.342 36.184 -9.019 1.00 0.00 H ATOM 1391 H PHE A 110 46.822 33.980 -8.824 1.00 0.00 H ATOM 1392 N GLU A 111 44.643 33.579 -6.429 1.00 19.38 N ATOM 1393 CA GLU A 111 43.397 33.073 -5.798 1.00 21.19 C ATOM 1394 C GLU A 111 43.461 31.622 -5.318 1.00 20.26 C ATOM 1395 O GLU A 111 42.945 31.277 -4.241 1.00 20.04 O ATOM 1396 CB GLU A 111 42.237 33.229 -6.789 1.00 22.20 C ATOM 1397 CG GLU A 111 41.532 34.601 -6.695 1.00 27.99 C ATOM 1398 CD GLU A 111 41.109 34.964 -5.265 1.00 36.86 C ATOM 1399 OE1 GLU A 111 40.180 34.334 -4.703 1.00 42.47 O ATOM 1400 OE2 GLU A 111 41.707 35.890 -4.692 1.00 37.43 O ATOM 1401 HA GLU A 111 43.250 33.673 -4.900 1.00 0.00 H ATOM 1402 HB2 GLU A 111 42.627 33.109 -7.800 1.00 0.00 H ATOM 1403 HB3 GLU A 111 41.503 32.448 -6.589 1.00 0.00 H ATOM 1404 HG2 GLU A 111 42.215 35.368 -7.060 1.00 0.00 H ATOM 1405 HG3 GLU A 111 40.643 34.578 -7.325 1.00 0.00 H ATOM 1406 H GLU A 111 44.593 33.961 -7.395 1.00 0.00 H ATOM 1407 N PHE A 112 44.068 30.749 -6.126 1.00 20.15 N ATOM 1408 CA PHE A 112 44.245 29.367 -5.712 1.00 19.61 C ATOM 1409 C PHE A 112 45.183 29.256 -4.506 1.00 19.59 C ATOM 1410 O PHE A 112 44.955 28.491 -3.566 1.00 18.13 O ATOM 1411 CB PHE A 112 44.801 28.525 -6.870 1.00 20.22 C ATOM 1412 CG PHE A 112 45.102 27.113 -6.470 1.00 22.92 C ATOM 1413 CD1 PHE A 112 44.064 26.235 -6.148 1.00 24.37 C ATOM 1414 CD2 PHE A 112 46.410 26.659 -6.392 1.00 24.65 C ATOM 1415 CE1 PHE A 112 44.334 24.926 -5.725 1.00 24.00 C ATOM 1416 CE2 PHE A 112 46.661 25.350 -5.963 1.00 24.10 C ATOM 1417 CZ PHE A 112 45.601 24.507 -5.617 1.00 20.55 C ATOM 1418 HA PHE A 112 43.265 28.987 -5.423 1.00 0.00 H ATOM 1419 HB2 PHE A 112 44.066 28.510 -7.674 1.00 0.00 H ATOM 1420 HB3 PHE A 112 45.720 28.989 -7.228 1.00 0.00 H ATOM 1421 HD2 PHE A 112 47.236 27.316 -6.663 1.00 0.00 H ATOM 1422 HE2 PHE A 112 47.687 24.987 -5.899 1.00 0.00 H ATOM 1423 HZ PHE A 112 45.808 23.500 -5.256 1.00 0.00 H ATOM 1424 HE1 PHE A 112 43.513 24.250 -5.484 1.00 0.00 H ATOM 1425 HD1 PHE A 112 43.030 26.572 -6.227 1.00 0.00 H ATOM 1426 H PHE A 112 44.416 31.059 -7.056 1.00 0.00 H ATOM 1427 N GLY A 113 46.308 29.962 -4.580 1.00 20.60 N ATOM 1428 CA GLY A 113 47.266 29.925 -3.477 1.00 21.16 C ATOM 1429 C GLY A 113 46.583 30.420 -2.199 1.00 21.08 C ATOM 1430 O GLY A 113 46.817 29.885 -1.136 1.00 21.64 O ATOM 1431 HA3 GLY A 113 48.115 30.568 -3.709 1.00 0.00 H ATOM 1432 HA2 GLY A 113 47.615 28.903 -3.331 1.00 0.00 H ATOM 1433 H GLY A 113 46.506 30.540 -5.422 1.00 0.00 H ATOM 1434 N GLY A 114 45.764 31.461 -2.317 1.00 20.50 N ATOM 1435 CA GLY A 114 44.947 32.022 -1.214 1.00 21.89 C ATOM 1436 C GLY A 114 43.928 31.045 -0.644 1.00 22.18 C ATOM 1437 O GLY A 114 43.797 30.941 0.558 1.00 21.99 O ATOM 1438 HA3 GLY A 114 44.413 32.894 -1.591 1.00 0.00 H ATOM 1439 HA2 GLY A 114 45.617 32.327 -0.411 1.00 0.00 H ATOM 1440 H GLY A 114 45.691 31.914 -3.250 1.00 0.00 H ATOM 1441 N VAL A 115 43.250 30.303 -1.515 1.00 22.62 N ATOM 1442 CA VAL A 115 42.353 29.230 -1.108 1.00 24.27 C ATOM 1443 C VAL A 115 43.094 28.132 -0.325 1.00 23.54 C ATOM 1444 O VAL A 115 42.627 27.691 0.716 1.00 23.13 O ATOM 1445 CB VAL A 115 41.609 28.610 -2.310 1.00 24.42 C ATOM 1446 CG1 VAL A 115 40.940 27.305 -1.922 1.00 25.89 C ATOM 1447 CG2 VAL A 115 40.571 29.559 -2.802 1.00 27.63 C ATOM 1448 HA VAL A 115 41.614 29.685 -0.448 1.00 0.00 H ATOM 1449 HB VAL A 115 42.339 28.411 -3.094 1.00 0.00 H ATOM 1450 HG11 VAL A 115 41.696 26.599 -1.577 1.00 0.00 H ATOM 1451 HG12 VAL A 115 40.222 27.490 -1.123 1.00 0.00 H ATOM 1452 HG13 VAL A 115 40.424 26.891 -2.788 1.00 0.00 H ATOM 1453 HG21 VAL A 115 39.859 29.764 -2.002 1.00 0.00 H ATOM 1454 HG22 VAL A 115 41.048 30.489 -3.112 1.00 0.00 H ATOM 1455 HG23 VAL A 115 40.049 29.117 -3.650 1.00 0.00 H ATOM 1456 H VAL A 115 43.365 30.497 -2.530 1.00 0.00 H ATOM 1457 N MET A 116 44.256 27.737 -0.825 1.00 23.51 N ATOM 1458 CA MET A 116 45.113 26.781 -0.135 1.00 23.79 C ATOM 1459 C MET A 116 45.539 27.265 1.246 1.00 22.22 C ATOM 1460 O MET A 116 45.498 26.483 2.206 1.00 21.39 O ATOM 1461 CB MET A 116 46.334 26.452 -0.982 1.00 22.86 C ATOM 1462 CG MET A 116 46.025 25.418 -2.089 1.00 28.18 C ATOM 1463 SD MET A 116 47.568 24.623 -2.648 1.00 31.70 S ATOM 1464 CE MET A 116 47.884 23.340 -1.470 1.00 27.23 C ATOM 1465 HA MET A 116 44.523 25.876 0.013 1.00 0.00 H ATOM 1466 HB2 MET A 116 46.693 27.369 -1.450 1.00 0.00 H ATOM 1467 HB3 MET A 116 47.111 26.048 -0.333 1.00 0.00 H ATOM 1468 HG2 MET A 116 45.552 25.922 -2.932 1.00 0.00 H ATOM 1469 HG3 MET A 116 45.349 24.659 -1.696 1.00 0.00 H ATOM 1470 HE1 MET A 116 47.996 23.778 -0.478 1.00 0.00 H ATOM 1471 HE2 MET A 116 47.050 22.638 -1.467 1.00 0.00 H ATOM 1472 HE3 MET A 116 48.800 22.816 -1.742 1.00 0.00 H ATOM 1473 H MET A 116 44.567 28.122 -1.740 1.00 0.00 H ATOM 1474 N CYS A 117 45.935 28.534 1.356 1.00 20.10 N ATOM 1475 CA CYS A 117 46.380 29.078 2.637 1.00 19.42 C ATOM 1476 C CYS A 117 45.205 29.094 3.613 1.00 19.32 C ATOM 1477 O CYS A 117 45.350 28.702 4.785 1.00 20.15 O ATOM 1478 CB CYS A 117 46.953 30.485 2.466 1.00 18.16 C ATOM 1479 SG CYS A 117 48.503 30.469 1.697 1.00 19.30 S ATOM 1480 HA CYS A 117 47.173 28.444 3.034 1.00 0.00 H ATOM 1481 HB2 CYS A 117 47.053 30.946 3.449 1.00 0.00 H ATOM 1482 HB3 CYS A 117 46.265 31.073 1.859 1.00 0.00 H ATOM 1483 HG CYS A 117 48.388 29.896 0.447 1.00 0.00 H ATOM 1484 H CYS A 117 45.927 29.147 0.516 1.00 0.00 H ATOM 1485 N VAL A 118 44.058 29.539 3.120 1.00 18.65 N ATOM 1486 CA VAL A 118 42.851 29.699 3.923 1.00 18.91 C ATOM 1487 C VAL A 118 42.322 28.337 4.411 1.00 20.12 C ATOM 1488 O VAL A 118 41.940 28.195 5.570 1.00 19.53 O ATOM 1489 CB VAL A 118 41.740 30.474 3.178 1.00 18.92 C ATOM 1490 CG1 VAL A 118 40.356 30.241 3.806 1.00 18.93 C ATOM 1491 CG2 VAL A 118 42.010 31.979 3.182 1.00 18.98 C ATOM 1492 HA VAL A 118 43.135 30.296 4.790 1.00 0.00 H ATOM 1493 HB VAL A 118 41.746 30.095 2.156 1.00 0.00 H ATOM 1494 HG11 VAL A 118 40.115 29.179 3.768 1.00 0.00 H ATOM 1495 HG12 VAL A 118 40.368 30.575 4.843 1.00 0.00 H ATOM 1496 HG13 VAL A 118 39.607 30.805 3.250 1.00 0.00 H ATOM 1497 HG21 VAL A 118 42.051 32.337 4.211 1.00 0.00 H ATOM 1498 HG22 VAL A 118 42.961 32.177 2.688 1.00 0.00 H ATOM 1499 HG23 VAL A 118 41.209 32.492 2.650 1.00 0.00 H ATOM 1500 H VAL A 118 44.017 29.786 2.111 1.00 0.00 H ATOM 1501 N GLU A 119 42.305 27.351 3.531 1.00 19.90 N ATOM 1502 CA GLU A 119 41.942 26.000 3.925 1.00 20.34 C ATOM 1503 C GLU A 119 42.932 25.361 4.869 1.00 19.28 C ATOM 1504 O GLU A 119 42.535 24.576 5.692 1.00 19.01 O ATOM 1505 CB GLU A 119 41.818 25.107 2.708 1.00 22.41 C ATOM 1506 CG GLU A 119 40.503 25.356 1.961 1.00 29.28 C ATOM 1507 CD GLU A 119 39.294 25.014 2.835 1.00 36.48 C ATOM 1508 OE1 GLU A 119 39.241 23.844 3.329 1.00 39.11 O ATOM 1509 OE2 GLU A 119 38.417 25.902 3.006 1.00 39.20 O ATOM 1510 HA GLU A 119 40.989 26.096 4.445 1.00 0.00 H ATOM 1511 HB2 GLU A 119 42.652 25.307 2.035 1.00 0.00 H ATOM 1512 HB3 GLU A 119 41.853 24.065 3.027 1.00 0.00 H ATOM 1513 HG2 GLU A 119 40.450 26.407 1.676 1.00 0.00 H ATOM 1514 HG3 GLU A 119 40.480 24.736 1.065 1.00 0.00 H ATOM 1515 H GLU A 119 42.555 27.545 2.540 1.00 0.00 H ATOM 1516 N SER A 120 44.222 25.625 4.700 1.00 17.23 N ATOM 1517 CA SER A 120 45.210 25.257 5.686 1.00 17.63 C ATOM 1518 C SER A 120 44.874 25.796 7.085 1.00 17.99 C ATOM 1519 O SER A 120 44.918 25.052 8.072 1.00 18.75 O ATOM 1520 CB SER A 120 46.603 25.777 5.269 1.00 16.56 C ATOM 1521 OG SER A 120 46.955 25.060 4.126 1.00 16.64 O ATOM 1522 HA SER A 120 45.211 24.168 5.735 1.00 0.00 H ATOM 1523 HB2 SER A 120 47.327 25.601 6.065 1.00 0.00 H ATOM 1524 HB3 SER A 120 46.559 26.844 5.049 1.00 0.00 H ATOM 1525 HG SER A 120 46.285 25.223 3.416 1.00 0.00 H ATOM 1526 H SER A 120 44.529 26.110 3.833 1.00 0.00 H ATOM 1527 N VAL A 121 44.522 27.079 7.168 1.00 17.44 N ATOM 1528 CA VAL A 121 44.228 27.693 8.451 1.00 18.68 C ATOM 1529 C VAL A 121 42.932 27.115 9.006 1.00 19.78 C ATOM 1530 O VAL A 121 42.884 26.777 10.170 1.00 20.11 O ATOM 1531 CB VAL A 121 44.209 29.238 8.324 1.00 19.25 C ATOM 1532 CG1 VAL A 121 43.312 29.861 9.316 1.00 22.19 C ATOM 1533 CG2 VAL A 121 45.664 29.783 8.472 1.00 15.78 C ATOM 1534 HA VAL A 121 45.016 27.461 9.168 1.00 0.00 H ATOM 1535 HB VAL A 121 43.819 29.499 7.340 1.00 0.00 H ATOM 1536 HG11 VAL A 121 42.297 29.493 9.167 1.00 0.00 H ATOM 1537 HG12 VAL A 121 43.649 29.605 10.320 1.00 0.00 H ATOM 1538 HG13 VAL A 121 43.330 30.944 9.191 1.00 0.00 H ATOM 1539 HG21 VAL A 121 46.059 29.500 9.448 1.00 0.00 H ATOM 1540 HG22 VAL A 121 46.291 29.359 7.688 1.00 0.00 H ATOM 1541 HG23 VAL A 121 45.654 30.869 8.383 1.00 0.00 H ATOM 1542 H VAL A 121 44.457 27.649 6.301 1.00 0.00 H ATOM 1543 N ASN A 122 41.921 26.935 8.160 1.00 20.44 N ATOM 1544 CA ASN A 122 40.635 26.362 8.593 1.00 21.88 C ATOM 1545 C ASN A 122 40.724 24.917 9.091 1.00 22.98 C ATOM 1546 O ASN A 122 39.917 24.492 9.910 1.00 22.51 O ATOM 1547 CB ASN A 122 39.608 26.464 7.483 1.00 23.54 C ATOM 1548 CG ASN A 122 39.066 27.889 7.304 1.00 23.86 C ATOM 1549 OD1 ASN A 122 39.366 28.778 8.079 1.00 30.25 O ATOM 1550 ND2 ASN A 122 38.249 28.085 6.293 1.00 27.59 N ATOM 1551 HA ASN A 122 40.325 26.959 9.451 1.00 0.00 H ATOM 1552 HB2 ASN A 122 40.072 26.147 6.549 1.00 0.00 H ATOM 1553 HB3 ASN A 122 38.775 25.801 7.717 1.00 0.00 H ATOM 1554 HD22 ASN A 122 38.017 27.299 5.652 1.00 0.00 H ATOM 1555 HD21 ASN A 122 37.835 29.026 6.134 1.00 0.00 H ATOM 1556 H ASN A 122 42.042 27.207 7.164 1.00 0.00 H ATOM 1557 N ARG A 123 41.725 24.172 8.606 1.00 23.25 N ATOM 1558 CA ARG A 123 41.916 22.793 9.041 1.00 23.13 C ATOM 1559 C ARG A 123 42.965 22.641 10.142 1.00 21.86 C ATOM 1560 O ARG A 123 43.355 21.515 10.450 1.00 21.83 O ATOM 1561 CB ARG A 123 42.286 21.899 7.851 1.00 22.64 C ATOM 1562 CG ARG A 123 41.145 21.517 6.908 1.00 27.56 C ATOM 1563 CD ARG A 123 41.782 21.086 5.546 1.00 33.91 C ATOM 1564 NE ARG A 123 41.091 20.026 4.800 1.00 42.00 N ATOM 1565 CZ ARG A 123 41.381 18.712 4.836 1.00 45.39 C ATOM 1566 NH1 ARG A 123 42.333 18.230 5.621 1.00 47.25 N ATOM 1567 NH2 ARG A 123 40.688 17.848 4.089 1.00 46.87 N ATOM 1568 HA ARG A 123 40.962 22.478 9.464 1.00 0.00 H ATOM 1569 HB2 ARG A 123 43.041 22.423 7.264 1.00 0.00 H ATOM 1570 HB3 ARG A 123 42.712 20.977 8.248 1.00 0.00 H ATOM 1571 HG2 ARG A 123 40.574 20.690 7.330 1.00 0.00 H ATOM 1572 HG3 ARG A 123 40.486 22.372 6.756 1.00 0.00 H ATOM 1573 HD2 ARG A 123 42.795 20.740 5.750 1.00 0.00 H ATOM 1574 HD3 ARG A 123 41.822 21.968 4.906 1.00 0.00 H ATOM 1575 HE ARG A 123 40.304 20.318 4.186 1.00 0.00 H ATOM 1576 HH12 ARG A 123 42.535 17.210 5.628 1.00 0.00 H ATOM 1577 HH11 ARG A 123 42.879 18.872 6.231 1.00 0.00 H ATOM 1578 HH22 ARG A 123 40.916 16.834 4.120 1.00 0.00 H ATOM 1579 HH21 ARG A 123 39.920 18.190 3.476 1.00 0.00 H ATOM 1580 H ARG A 123 42.377 24.583 7.908 1.00 0.00 H ATOM 1581 N GLU A 124 43.448 23.750 10.697 1.00 20.01 N ATOM 1582 CA GLU A 124 44.429 23.735 11.778 1.00 20.52 C ATOM 1583 C GLU A 124 45.752 23.198 11.309 1.00 20.76 C ATOM 1584 O GLU A 124 46.501 22.581 12.066 1.00 21.73 O ATOM 1585 CB GLU A 124 43.936 22.965 13.016 1.00 19.94 C ATOM 1586 CG GLU A 124 42.535 23.388 13.415 1.00 19.15 C ATOM 1587 CD GLU A 124 42.119 22.892 14.806 1.00 24.76 C ATOM 1588 OE1 GLU A 124 42.919 22.188 15.482 1.00 29.84 O ATOM 1589 OE2 GLU A 124 40.975 23.216 15.210 1.00 29.30 O ATOM 1590 HA GLU A 124 44.566 24.773 12.082 1.00 0.00 H ATOM 1591 HB2 GLU A 124 43.933 21.898 12.792 1.00 0.00 H ATOM 1592 HB3 GLU A 124 44.614 23.159 13.847 1.00 0.00 H ATOM 1593 HG2 GLU A 124 42.488 24.477 13.408 1.00 0.00 H ATOM 1594 HG3 GLU A 124 41.832 22.991 12.682 1.00 0.00 H ATOM 1595 H GLU A 124 43.111 24.669 10.345 1.00 0.00 H ATOM 1596 N MET A 125 46.069 23.529 10.068 1.00 19.86 N ATOM 1597 CA MET A 125 47.320 23.154 9.413 1.00 20.10 C ATOM 1598 C MET A 125 48.045 24.391 9.015 1.00 19.40 C ATOM 1599 O MET A 125 48.738 24.401 8.018 1.00 17.93 O ATOM 1600 CB MET A 125 46.989 22.410 8.130 1.00 19.42 C ATOM 1601 CG MET A 125 46.493 21.063 8.443 1.00 21.60 C ATOM 1602 SD MET A 125 45.848 20.217 7.018 1.00 22.92 S ATOM 1603 CE MET A 125 45.302 18.767 7.908 1.00 20.77 C ATOM 1604 HA MET A 125 47.918 22.544 10.090 1.00 0.00 H ATOM 1605 HB2 MET A 125 46.223 22.959 7.582 1.00 0.00 H ATOM 1606 HB3 MET A 125 47.887 22.331 7.517 1.00 0.00 H ATOM 1607 HG2 MET A 125 45.700 21.148 9.186 1.00 0.00 H ATOM 1608 HG3 MET A 125 47.314 20.476 8.855 1.00 0.00 H ATOM 1609 HE1 MET A 125 46.157 18.297 8.394 1.00 0.00 H ATOM 1610 HE2 MET A 125 44.570 19.059 8.661 1.00 0.00 H ATOM 1611 HE3 MET A 125 44.848 18.064 7.210 1.00 0.00 H ATOM 1612 H MET A 125 45.384 24.092 9.524 1.00 0.00 H ATOM 1613 N SER A 126 47.942 25.425 9.846 1.00 19.71 N ATOM 1614 CA SER A 126 48.296 26.749 9.413 1.00 19.53 C ATOM 1615 C SER A 126 49.813 26.909 9.184 1.00 19.29 C ATOM 1616 O SER A 126 50.221 27.796 8.418 1.00 19.64 O ATOM 1617 CB SER A 126 47.696 27.769 10.387 1.00 20.56 C ATOM 1618 OG SER A 126 48.556 27.922 11.506 1.00 24.45 O ATOM 1619 HA SER A 126 47.865 26.938 8.430 1.00 0.00 H ATOM 1620 HB2 SER A 126 46.720 27.419 10.724 1.00 0.00 H ATOM 1621 HB3 SER A 126 47.582 28.729 9.883 1.00 0.00 H ATOM 1622 HG SER A 126 49.442 28.241 11.199 1.00 0.00 H ATOM 1623 H SER A 126 47.602 25.274 10.817 1.00 0.00 H ATOM 1624 N PRO A 127 50.683 26.042 9.789 1.00 18.27 N ATOM 1625 CA PRO A 127 52.068 26.147 9.313 1.00 18.27 C ATOM 1626 C PRO A 127 52.308 25.979 7.784 1.00 18.14 C ATOM 1627 O PRO A 127 53.323 26.473 7.269 1.00 18.37 O ATOM 1628 CB PRO A 127 52.789 25.037 10.076 1.00 18.23 C ATOM 1629 CG PRO A 127 51.906 24.796 11.306 1.00 18.52 C ATOM 1630 CD PRO A 127 50.544 25.067 10.882 1.00 18.61 C ATOM 1631 HA PRO A 127 52.423 27.162 9.491 1.00 0.00 H ATOM 1632 HD3 PRO A 127 50.063 24.156 10.527 1.00 0.00 H ATOM 1633 HD2 PRO A 127 49.962 25.488 11.702 1.00 0.00 H ATOM 1634 HG3 PRO A 127 52.192 25.468 12.115 1.00 0.00 H ATOM 1635 HG2 PRO A 127 52.000 23.764 11.643 1.00 0.00 H ATOM 1636 HB2 PRO A 127 52.863 24.135 9.469 1.00 0.00 H ATOM 1637 HB3 PRO A 127 53.788 25.357 10.373 1.00 0.00 H ATOM 1638 N LEU A 128 51.416 25.266 7.097 1.00 17.23 N ATOM 1639 CA LEU A 128 51.509 25.081 5.633 1.00 18.31 C ATOM 1640 C LEU A 128 51.463 26.402 4.835 1.00 17.34 C ATOM 1641 O LEU A 128 51.960 26.462 3.716 1.00 18.81 O ATOM 1642 CB LEU A 128 50.417 24.152 5.110 1.00 17.92 C ATOM 1643 CG LEU A 128 50.257 22.678 5.487 1.00 19.84 C ATOM 1644 CD1 LEU A 128 49.008 22.115 4.757 1.00 18.45 C ATOM 1645 CD2 LEU A 128 51.496 21.923 5.084 1.00 21.63 C ATOM 1646 HA LEU A 128 52.489 24.630 5.475 1.00 0.00 H ATOM 1647 HB2 LEU A 128 49.476 24.626 5.388 1.00 0.00 H ATOM 1648 HB3 LEU A 128 50.522 24.164 4.025 1.00 0.00 H ATOM 1649 HG LEU A 128 50.123 22.569 6.563 1.00 0.00 H ATOM 1650 HD21 LEU A 128 51.639 22.011 4.007 1.00 0.00 H ATOM 1651 HD22 LEU A 128 52.359 22.341 5.602 1.00 0.00 H ATOM 1652 HD23 LEU A 128 51.383 20.873 5.352 1.00 0.00 H ATOM 1653 HD11 LEU A 128 48.125 22.676 5.064 1.00 0.00 H ATOM 1654 HD12 LEU A 128 49.144 22.211 3.680 1.00 0.00 H ATOM 1655 HD13 LEU A 128 48.880 21.064 5.016 1.00 0.00 H ATOM 1656 H LEU A 128 50.626 24.824 7.609 1.00 0.00 H ATOM 1657 N VAL A 129 50.900 27.455 5.424 1.00 18.12 N ATOM 1658 CA VAL A 129 50.884 28.814 4.823 1.00 18.00 C ATOM 1659 C VAL A 129 52.275 29.279 4.381 1.00 19.85 C ATOM 1660 O VAL A 129 52.453 29.784 3.302 1.00 19.78 O ATOM 1661 CB VAL A 129 50.277 29.827 5.806 1.00 17.95 C ATOM 1662 CG1 VAL A 129 50.523 31.302 5.298 1.00 19.43 C ATOM 1663 CG2 VAL A 129 48.753 29.510 5.991 1.00 13.05 C ATOM 1664 HA VAL A 129 50.264 28.757 3.928 1.00 0.00 H ATOM 1665 HB VAL A 129 50.763 29.743 6.778 1.00 0.00 H ATOM 1666 HG11 VAL A 129 51.595 31.483 5.217 1.00 0.00 H ATOM 1667 HG12 VAL A 129 50.057 31.431 4.321 1.00 0.00 H ATOM 1668 HG13 VAL A 129 50.087 32.006 6.006 1.00 0.00 H ATOM 1669 HG21 VAL A 129 48.248 29.584 5.028 1.00 0.00 H ATOM 1670 HG22 VAL A 129 48.638 28.500 6.386 1.00 0.00 H ATOM 1671 HG23 VAL A 129 48.316 30.226 6.688 1.00 0.00 H ATOM 1672 H VAL A 129 50.449 27.320 6.351 1.00 0.00 H ATOM 1673 N ASP A 130 53.277 29.076 5.234 1.00 20.34 N ATOM 1674 CA ASP A 130 54.650 29.410 4.871 1.00 21.31 C ATOM 1675 C ASP A 130 55.151 28.648 3.652 1.00 21.22 C ATOM 1676 O ASP A 130 55.803 29.223 2.777 1.00 21.06 O ATOM 1677 CB ASP A 130 55.573 29.065 6.014 1.00 21.86 C ATOM 1678 CG ASP A 130 55.342 29.919 7.216 1.00 21.99 C ATOM 1679 OD1 ASP A 130 54.846 31.046 7.109 1.00 28.29 O ATOM 1680 OD2 ASP A 130 55.676 29.453 8.282 1.00 30.11 O ATOM 1681 HA ASP A 130 54.650 30.476 4.642 1.00 0.00 H ATOM 1682 HB2 ASP A 130 55.413 28.023 6.290 1.00 0.00 H ATOM 1683 HB3 ASP A 130 56.603 29.198 5.684 1.00 0.00 H ATOM 1684 H ASP A 130 53.078 28.674 6.172 1.00 0.00 H ATOM 1685 N ASN A 131 54.863 27.353 3.616 1.00 21.45 N ATOM 1686 CA ASN A 131 55.270 26.516 2.481 1.00 21.98 C ATOM 1687 C ASN A 131 54.631 27.025 1.232 1.00 20.31 C ATOM 1688 O ASN A 131 55.285 27.157 0.234 1.00 21.23 O ATOM 1689 CB ASN A 131 54.936 25.044 2.723 1.00 21.93 C ATOM 1690 CG ASN A 131 55.645 24.498 3.989 1.00 27.72 C ATOM 1691 OD1 ASN A 131 56.834 24.213 3.953 1.00 35.96 O ATOM 1692 ND2 ASN A 131 54.938 24.431 5.099 1.00 26.25 N ATOM 1693 HA ASN A 131 56.353 26.576 2.370 1.00 0.00 H ATOM 1694 HB2 ASN A 131 53.858 24.942 2.849 1.00 0.00 H ATOM 1695 HB3 ASN A 131 55.256 24.462 1.859 1.00 0.00 H ATOM 1696 HD22 ASN A 131 53.929 24.682 5.089 1.00 0.00 H ATOM 1697 HD21 ASN A 131 55.389 24.127 5.985 1.00 0.00 H ATOM 1698 H ASN A 131 54.340 26.924 4.406 1.00 0.00 H ATOM 1699 N ILE A 132 53.346 27.306 1.306 1.00 20.87 N ATOM 1700 CA ILE A 132 52.552 27.753 0.167 1.00 20.39 C ATOM 1701 C ILE A 132 53.053 29.109 -0.366 1.00 20.30 C ATOM 1702 O ILE A 132 53.199 29.271 -1.577 1.00 19.89 O ATOM 1703 CB ILE A 132 51.047 27.833 0.509 1.00 20.23 C ATOM 1704 CG1 ILE A 132 50.478 26.436 0.861 1.00 20.92 C ATOM 1705 CG2 ILE A 132 50.245 28.421 -0.643 1.00 18.61 C ATOM 1706 CD1 ILE A 132 49.152 26.489 1.650 1.00 19.42 C ATOM 1707 HA ILE A 132 52.677 27.006 -0.617 1.00 0.00 H ATOM 1708 HB ILE A 132 50.955 28.488 1.376 1.00 0.00 H ATOM 1709 HG12 ILE A 132 50.306 25.890 -0.067 1.00 0.00 H ATOM 1710 HG13 ILE A 132 51.216 25.905 1.462 1.00 0.00 H ATOM 1711 HD11 ILE A 132 49.310 27.022 2.587 1.00 0.00 H ATOM 1712 HD12 ILE A 132 48.399 27.008 1.057 1.00 0.00 H ATOM 1713 HD13 ILE A 132 48.815 25.474 1.860 1.00 0.00 H ATOM 1714 HG21 ILE A 132 50.605 29.427 -0.858 1.00 0.00 H ATOM 1715 HG22 ILE A 132 50.366 27.794 -1.526 1.00 0.00 H ATOM 1716 HG23 ILE A 132 49.191 28.462 -0.367 1.00 0.00 H ATOM 1717 H ILE A 132 52.872 27.204 2.226 1.00 0.00 H ATOM 1718 N ALA A 133 53.307 30.067 0.517 1.00 19.03 N ATOM 1719 CA ALA A 133 53.832 31.354 0.057 1.00 19.88 C ATOM 1720 C ALA A 133 55.189 31.189 -0.652 1.00 19.94 C ATOM 1721 O ALA A 133 55.434 31.799 -1.685 1.00 21.09 O ATOM 1722 CB ALA A 133 53.929 32.346 1.193 1.00 19.61 C ATOM 1723 HA ALA A 133 53.126 31.751 -0.672 1.00 0.00 H ATOM 1724 HB1 ALA A 133 52.938 32.507 1.618 1.00 0.00 H ATOM 1725 HB2 ALA A 133 54.596 31.953 1.961 1.00 0.00 H ATOM 1726 HB3 ALA A 133 54.322 33.290 0.816 1.00 0.00 H ATOM 1727 H ALA A 133 53.134 29.904 1.530 1.00 0.00 H ATOM 1728 N LEU A 134 56.041 30.337 -0.112 1.00 20.37 N ATOM 1729 CA LEU A 134 57.309 30.001 -0.730 1.00 21.72 C ATOM 1730 C LEU A 134 57.136 29.382 -2.143 1.00 20.73 C ATOM 1731 O LEU A 134 57.758 29.854 -3.076 1.00 20.05 O ATOM 1732 CB LEU A 134 58.137 29.084 0.222 1.00 22.19 C ATOM 1733 CG LEU A 134 59.348 28.425 -0.454 1.00 24.01 C ATOM 1734 CD1 LEU A 134 60.461 29.425 -0.718 1.00 25.06 C ATOM 1735 CD2 LEU A 134 59.873 27.264 0.397 1.00 25.68 C ATOM 1736 HA LEU A 134 57.866 30.925 -0.885 1.00 0.00 H ATOM 1737 HB2 LEU A 134 58.495 29.687 1.056 1.00 0.00 H ATOM 1738 HB3 LEU A 134 57.482 28.298 0.598 1.00 0.00 H ATOM 1739 HG LEU A 134 59.012 28.039 -1.417 1.00 0.00 H ATOM 1740 HD21 LEU A 134 60.174 27.639 1.375 1.00 0.00 H ATOM 1741 HD22 LEU A 134 59.086 26.519 0.518 1.00 0.00 H ATOM 1742 HD23 LEU A 134 60.731 26.810 -0.099 1.00 0.00 H ATOM 1743 HD11 LEU A 134 60.091 30.214 -1.372 1.00 0.00 H ATOM 1744 HD12 LEU A 134 60.790 29.859 0.226 1.00 0.00 H ATOM 1745 HD13 LEU A 134 61.298 28.917 -1.197 1.00 0.00 H ATOM 1746 H LEU A 134 55.793 29.889 0.793 1.00 0.00 H ATOM 1747 N TRP A 135 56.253 28.375 -2.301 1.00 20.22 N ATOM 1748 CA TRP A 135 55.972 27.764 -3.628 1.00 20.48 C ATOM 1749 C TRP A 135 55.398 28.770 -4.609 1.00 20.21 C ATOM 1750 O TRP A 135 55.682 28.699 -5.795 1.00 20.73 O ATOM 1751 CB TRP A 135 54.977 26.557 -3.546 1.00 20.81 C ATOM 1752 CG TRP A 135 55.334 25.448 -2.511 1.00 21.30 C ATOM 1753 CD1 TRP A 135 56.573 25.034 -2.159 1.00 22.48 C ATOM 1754 CD2 TRP A 135 54.411 24.606 -1.801 1.00 20.53 C ATOM 1755 NE1 TRP A 135 56.493 24.013 -1.238 1.00 23.18 N ATOM 1756 CE2 TRP A 135 55.179 23.736 -0.988 1.00 24.18 C ATOM 1757 CE3 TRP A 135 53.014 24.525 -1.753 1.00 17.21 C ATOM 1758 CZ2 TRP A 135 54.594 22.780 -0.116 1.00 21.86 C ATOM 1759 CZ3 TRP A 135 52.428 23.602 -0.880 1.00 20.95 C ATOM 1760 CH2 TRP A 135 53.227 22.733 -0.077 1.00 22.01 C ATOM 1761 HA TRP A 135 56.941 27.408 -3.978 1.00 0.00 H ATOM 1762 HB2 TRP A 135 53.994 26.951 -3.287 1.00 0.00 H ATOM 1763 HB3 TRP A 135 54.933 26.093 -4.531 1.00 0.00 H ATOM 1764 HE1 TRP A 135 57.304 23.530 -0.802 1.00 0.00 H ATOM 1765 HD1 TRP A 135 57.502 25.449 -2.549 1.00 0.00 H ATOM 1766 HZ2 TRP A 135 55.205 22.115 0.494 1.00 0.00 H ATOM 1767 HH2 TRP A 135 52.737 22.016 0.582 1.00 0.00 H ATOM 1768 HZ3 TRP A 135 51.342 23.545 -0.812 1.00 0.00 H ATOM 1769 HE3 TRP A 135 52.397 25.167 -2.382 1.00 0.00 H ATOM 1770 H TRP A 135 55.751 28.013 -1.466 1.00 0.00 H ATOM 1771 N MET A 136 54.583 29.712 -4.129 1.00 19.92 N ATOM 1772 CA MET A 136 54.040 30.768 -4.998 1.00 19.92 C ATOM 1773 C MET A 136 55.111 31.721 -5.470 1.00 20.78 C ATOM 1774 O MET A 136 55.208 32.035 -6.653 1.00 21.04 O ATOM 1775 CB MET A 136 52.905 31.550 -4.282 1.00 20.02 C ATOM 1776 CG MET A 136 51.655 30.738 -4.173 1.00 17.25 C ATOM 1777 SD MET A 136 50.529 31.597 -3.125 1.00 18.52 S ATOM 1778 CE MET A 136 50.027 32.953 -4.190 1.00 15.60 C ATOM 1779 HA MET A 136 53.627 30.272 -5.876 1.00 0.00 H ATOM 1780 HB2 MET A 136 53.239 31.820 -3.280 1.00 0.00 H ATOM 1781 HB3 MET A 136 52.689 32.456 -4.848 1.00 0.00 H ATOM 1782 HG2 MET A 136 51.885 29.762 -3.746 1.00 0.00 H ATOM 1783 HG3 MET A 136 51.213 30.606 -5.161 1.00 0.00 H ATOM 1784 HE1 MET A 136 50.902 33.543 -4.462 1.00 0.00 H ATOM 1785 HE2 MET A 136 49.562 32.553 -5.091 1.00 0.00 H ATOM 1786 HE3 MET A 136 49.313 33.584 -3.661 1.00 0.00 H ATOM 1787 H MET A 136 54.327 29.699 -3.121 1.00 0.00 H ATOM 1788 N THR A 137 55.925 32.171 -4.531 1.00 21.82 N ATOM 1789 CA THR A 137 57.049 33.072 -4.818 1.00 21.11 C ATOM 1790 C THR A 137 58.030 32.482 -5.815 1.00 21.91 C ATOM 1791 O THR A 137 58.437 33.198 -6.777 1.00 21.69 O ATOM 1792 CB THR A 137 57.827 33.457 -3.541 1.00 20.42 C ATOM 1793 OG1 THR A 137 56.970 34.137 -2.636 1.00 18.68 O ATOM 1794 CG2 THR A 137 59.005 34.382 -3.874 1.00 21.17 C ATOM 1795 HA THR A 137 56.594 33.963 -5.251 1.00 0.00 H ATOM 1796 HB THR A 137 58.202 32.537 -3.092 1.00 0.00 H ATOM 1797 HG1 THR A 137 56.214 33.546 -2.392 1.00 0.00 H ATOM 1798 HG23 THR A 137 59.676 33.878 -4.569 1.00 0.00 H ATOM 1799 HG21 THR A 137 58.629 35.298 -4.330 1.00 0.00 H ATOM 1800 HG22 THR A 137 59.544 34.626 -2.958 1.00 0.00 H ATOM 1801 H THR A 137 55.763 31.875 -3.547 1.00 0.00 H ATOM 1802 N GLU A 138 58.417 31.210 -5.567 1.00 21.74 N ATOM 1803 CA GLU A 138 59.241 30.391 -6.491 1.00 22.38 C ATOM 1804 C GLU A 138 58.714 30.254 -7.877 1.00 20.48 C ATOM 1805 O GLU A 138 59.423 30.501 -8.835 1.00 21.00 O ATOM 1806 CB GLU A 138 59.495 28.965 -5.938 1.00 22.22 C ATOM 1807 CG GLU A 138 60.382 28.973 -4.702 1.00 25.07 C ATOM 1808 CD GLU A 138 60.608 27.564 -4.085 1.00 27.18 C ATOM 1809 OE1 GLU A 138 59.824 26.593 -4.355 1.00 30.95 O ATOM 1810 OE2 GLU A 138 61.588 27.462 -3.309 1.00 31.64 O ATOM 1811 HA GLU A 138 60.167 30.963 -6.551 1.00 0.00 H ATOM 1812 HB2 GLU A 138 58.537 28.514 -5.679 1.00 0.00 H ATOM 1813 HB3 GLU A 138 59.978 28.370 -6.713 1.00 0.00 H ATOM 1814 HG2 GLU A 138 61.352 29.388 -4.977 1.00 0.00 H ATOM 1815 HG3 GLU A 138 59.917 29.608 -3.948 1.00 0.00 H ATOM 1816 H GLU A 138 58.118 30.777 -4.670 1.00 0.00 H ATOM 1817 N TYR A 139 57.465 29.838 -8.000 1.00 20.98 N ATOM 1818 CA TYR A 139 56.842 29.725 -9.300 1.00 19.82 C ATOM 1819 C TYR A 139 56.781 31.053 -10.088 1.00 20.80 C ATOM 1820 O TYR A 139 56.957 31.061 -11.328 1.00 19.42 O ATOM 1821 CB TYR A 139 55.449 29.106 -9.181 1.00 18.89 C ATOM 1822 CG TYR A 139 54.912 28.690 -10.526 1.00 20.49 C ATOM 1823 CD1 TYR A 139 55.243 27.447 -11.090 1.00 23.08 C ATOM 1824 CD2 TYR A 139 54.098 29.556 -11.273 1.00 19.35 C ATOM 1825 CE1 TYR A 139 54.729 27.070 -12.363 1.00 23.76 C ATOM 1826 CE2 TYR A 139 53.611 29.194 -12.571 1.00 19.14 C ATOM 1827 CZ TYR A 139 53.931 27.963 -13.096 1.00 22.62 C ATOM 1828 OH TYR A 139 53.447 27.617 -14.350 1.00 21.83 O ATOM 1829 HA TYR A 139 57.487 29.064 -9.879 1.00 0.00 H ATOM 1830 HB3 TYR A 139 54.772 29.838 -8.740 1.00 0.00 H ATOM 1831 HB2 TYR A 139 55.505 28.230 -8.535 1.00 0.00 H ATOM 1832 HD2 TYR A 139 53.830 30.527 -10.856 1.00 0.00 H ATOM 1833 HE2 TYR A 139 52.992 29.889 -13.138 1.00 0.00 H ATOM 1834 HE1 TYR A 139 54.956 26.085 -12.770 1.00 0.00 H ATOM 1835 HD1 TYR A 139 55.899 26.765 -10.549 1.00 0.00 H ATOM 1836 HH TYR A 139 53.762 26.708 -14.585 1.00 0.00 H ATOM 1837 H TYR A 139 56.922 29.588 -7.149 1.00 0.00 H ATOM 1838 N LEU A 140 56.467 32.154 -9.395 1.00 20.19 N ATOM 1839 CA LEU A 140 56.468 33.469 -10.029 1.00 21.02 C ATOM 1840 C LEU A 140 57.872 33.853 -10.515 1.00 22.26 C ATOM 1841 O LEU A 140 58.037 34.356 -11.614 1.00 23.99 O ATOM 1842 CB LEU A 140 55.943 34.532 -9.075 1.00 20.57 C ATOM 1843 CG LEU A 140 54.426 34.699 -8.981 1.00 20.21 C ATOM 1844 CD1 LEU A 140 54.162 35.335 -7.653 1.00 20.74 C ATOM 1845 CD2 LEU A 140 53.917 35.596 -10.104 1.00 20.34 C ATOM 1846 HA LEU A 140 55.807 33.413 -10.894 1.00 0.00 H ATOM 1847 HB2 LEU A 140 56.309 34.287 -8.078 1.00 0.00 H ATOM 1848 HB3 LEU A 140 56.360 35.489 -9.389 1.00 0.00 H ATOM 1849 HG LEU A 140 53.915 33.741 -9.076 1.00 0.00 H ATOM 1850 HD21 LEU A 140 54.387 36.576 -10.026 1.00 0.00 H ATOM 1851 HD22 LEU A 140 54.166 35.148 -11.066 1.00 0.00 H ATOM 1852 HD23 LEU A 140 52.835 35.703 -10.020 1.00 0.00 H ATOM 1853 HD11 LEU A 140 54.537 34.687 -6.860 1.00 0.00 H ATOM 1854 HD12 LEU A 140 54.668 36.299 -7.606 1.00 0.00 H ATOM 1855 HD13 LEU A 140 53.089 35.480 -7.528 1.00 0.00 H ATOM 1856 H LEU A 140 56.218 32.071 -8.389 1.00 0.00 H ATOM 1857 N ASN A 141 58.879 33.596 -9.701 1.00 23.26 N ATOM 1858 CA ASN A 141 60.235 33.986 -10.030 1.00 25.88 C ATOM 1859 C ASN A 141 60.889 33.080 -11.081 1.00 26.64 C ATOM 1860 O ASN A 141 61.656 33.564 -11.903 1.00 27.09 O ATOM 1861 CB ASN A 141 61.114 34.031 -8.777 1.00 25.84 C ATOM 1862 CG ASN A 141 60.930 35.312 -7.957 1.00 27.22 C ATOM 1863 OD1 ASN A 141 61.291 35.348 -6.792 1.00 33.22 O ATOM 1864 ND2 ASN A 141 60.382 36.348 -8.558 1.00 26.52 N ATOM 1865 HA ASN A 141 60.158 34.983 -10.463 1.00 0.00 H ATOM 1866 HB2 ASN A 141 60.864 33.177 -8.147 1.00 0.00 H ATOM 1867 HB3 ASN A 141 62.158 33.962 -9.083 1.00 0.00 H ATOM 1868 HD22 ASN A 141 60.088 36.276 -9.553 1.00 0.00 H ATOM 1869 HD21 ASN A 141 60.244 37.238 -8.038 1.00 0.00 H ATOM 1870 H ASN A 141 58.695 33.103 -8.804 1.00 0.00 H ATOM 1871 N ARG A 142 60.606 31.780 -11.015 1.00 27.95 N ATOM 1872 CA ARG A 142 61.182 30.785 -11.925 1.00 28.81 C ATOM 1873 C ARG A 142 60.388 30.581 -13.201 1.00 28.90 C ATOM 1874 O ARG A 142 60.966 30.374 -14.252 1.00 29.62 O ATOM 1875 CB ARG A 142 61.368 29.447 -11.222 1.00 29.31 C ATOM 1876 CG ARG A 142 62.441 29.482 -10.132 1.00 33.64 C ATOM 1877 CD ARG A 142 62.313 28.307 -9.141 1.00 39.69 C ATOM 1878 NE ARG A 142 63.180 28.547 -7.979 1.00 46.06 N ATOM 1879 CZ ARG A 142 63.372 27.694 -6.964 1.00 48.89 C ATOM 1880 NH1 ARG A 142 62.749 26.513 -6.925 1.00 47.34 N ATOM 1881 NH2 ARG A 142 64.204 28.028 -5.974 1.00 48.91 N ATOM 1882 HA ARG A 142 62.149 31.192 -12.218 1.00 0.00 H ATOM 1883 HB2 ARG A 142 60.420 29.160 -10.766 1.00 0.00 H ATOM 1884 HB3 ARG A 142 61.653 28.702 -11.965 1.00 0.00 H ATOM 1885 HG2 ARG A 142 63.422 29.436 -10.605 1.00 0.00 H ATOM 1886 HG3 ARG A 142 62.349 30.417 -9.580 1.00 0.00 H ATOM 1887 HD2 ARG A 142 62.613 27.382 -9.633 1.00 0.00 H ATOM 1888 HD3 ARG A 142 61.278 28.222 -8.810 1.00 0.00 H ATOM 1889 HE ARG A 142 63.687 29.454 -7.941 1.00 0.00 H ATOM 1890 HH12 ARG A 142 62.912 25.865 -6.128 1.00 0.00 H ATOM 1891 HH11 ARG A 142 62.101 26.241 -7.692 1.00 0.00 H ATOM 1892 HH22 ARG A 142 64.359 27.372 -5.182 1.00 0.00 H ATOM 1893 HH21 ARG A 142 64.696 28.944 -5.995 1.00 0.00 H ATOM 1894 H ARG A 142 59.944 31.455 -10.282 1.00 0.00 H ATOM 1895 N HIS A 143 59.064 30.624 -13.128 1.00 28.25 N ATOM 1896 CA HIS A 143 58.255 30.358 -14.317 1.00 27.61 C ATOM 1897 C HIS A 143 57.381 31.492 -14.894 1.00 26.40 C ATOM 1898 O HIS A 143 56.960 31.399 -16.056 1.00 27.53 O ATOM 1899 CB HIS A 143 57.371 29.128 -14.064 1.00 27.91 C ATOM 1900 CG HIS A 143 58.159 27.868 -13.854 1.00 30.26 C ATOM 1901 ND1 HIS A 143 58.520 27.410 -12.603 1.00 35.16 N ATOM 1902 CD2 HIS A 143 58.672 26.982 -14.742 1.00 33.03 C ATOM 1903 CE1 HIS A 143 59.218 26.292 -12.728 1.00 36.31 C ATOM 1904 NE2 HIS A 143 59.329 26.014 -14.019 1.00 37.35 N ATOM 1905 HA HIS A 143 59.009 30.210 -15.090 1.00 0.00 H ATOM 1906 HB2 HIS A 143 56.767 29.312 -13.175 1.00 0.00 H ATOM 1907 HB3 HIS A 143 56.716 28.988 -14.924 1.00 0.00 H ATOM 1908 HD2 HIS A 143 58.581 27.028 -15.827 1.00 0.00 H ATOM 1909 HE1 HIS A 143 59.630 25.702 -11.910 1.00 0.00 H ATOM 1910 H HIS A 143 58.601 30.847 -12.224 1.00 0.00 H ATOM 1911 N LEU A 144 57.030 32.491 -14.105 1.00 24.14 N ATOM 1912 CA LEU A 144 56.188 33.588 -14.650 1.00 23.66 C ATOM 1913 C LEU A 144 56.967 34.852 -15.023 1.00 22.26 C ATOM 1914 O LEU A 144 56.442 35.734 -15.654 1.00 21.15 O ATOM 1915 CB LEU A 144 54.979 33.922 -13.758 1.00 21.88 C ATOM 1916 CG LEU A 144 54.005 32.757 -13.541 1.00 25.17 C ATOM 1917 CD1 LEU A 144 53.011 32.993 -12.324 1.00 19.84 C ATOM 1918 CD2 LEU A 144 53.263 32.466 -14.875 1.00 22.82 C ATOM 1919 HA LEU A 144 55.802 33.182 -15.585 1.00 0.00 H ATOM 1920 HB2 LEU A 144 55.352 34.240 -12.784 1.00 0.00 H ATOM 1921 HB3 LEU A 144 54.431 34.742 -14.221 1.00 0.00 H ATOM 1922 HG LEU A 144 54.578 31.875 -13.255 1.00 0.00 H ATOM 1923 HD21 LEU A 144 52.713 33.354 -15.184 1.00 0.00 H ATOM 1924 HD22 LEU A 144 53.990 32.201 -15.643 1.00 0.00 H ATOM 1925 HD23 LEU A 144 52.568 31.639 -14.730 1.00 0.00 H ATOM 1926 HD11 LEU A 144 53.586 33.119 -11.406 1.00 0.00 H ATOM 1927 HD12 LEU A 144 52.419 33.889 -12.509 1.00 0.00 H ATOM 1928 HD13 LEU A 144 52.349 32.133 -12.225 1.00 0.00 H ATOM 1929 H LEU A 144 57.340 32.510 -13.112 1.00 0.00 H ATOM 1930 N HIS A 145 58.247 34.888 -14.704 1.00 22.85 N ATOM 1931 CA HIS A 145 58.961 36.118 -14.746 1.00 23.49 C ATOM 1932 C HIS A 145 59.064 36.683 -16.144 1.00 22.53 C ATOM 1933 O HIS A 145 58.924 37.863 -16.354 1.00 22.34 O ATOM 1934 CB HIS A 145 60.344 35.917 -14.143 1.00 25.07 C ATOM 1935 CG HIS A 145 61.196 37.133 -14.212 1.00 27.60 C ATOM 1936 ND1 HIS A 145 62.173 37.298 -15.175 1.00 31.24 N ATOM 1937 CD2 HIS A 145 61.208 38.256 -13.457 1.00 28.76 C ATOM 1938 CE1 HIS A 145 62.758 38.469 -14.999 1.00 30.21 C ATOM 1939 NE2 HIS A 145 62.206 39.060 -13.951 1.00 30.90 N ATOM 1940 HA HIS A 145 58.404 36.849 -14.160 1.00 0.00 H ATOM 1941 HB2 HIS A 145 60.228 35.634 -13.097 1.00 0.00 H ATOM 1942 HB3 HIS A 145 60.844 35.113 -14.683 1.00 0.00 H ATOM 1943 HD2 HIS A 145 60.551 38.480 -12.617 1.00 0.00 H ATOM 1944 HE1 HIS A 145 63.560 38.879 -15.613 1.00 0.00 H ATOM 1945 H HIS A 145 58.735 34.015 -14.421 1.00 0.00 H ATOM 1946 N THR A 146 59.264 35.820 -17.124 1.00 22.29 N ATOM 1947 CA THR A 146 59.548 36.267 -18.459 1.00 20.63 C ATOM 1948 C THR A 146 58.271 36.791 -19.059 1.00 20.09 C ATOM 1949 O THR A 146 58.278 37.827 -19.733 1.00 20.83 O ATOM 1950 CB THR A 146 60.108 35.091 -19.227 1.00 22.19 C ATOM 1951 OG1 THR A 146 61.442 34.874 -18.763 1.00 24.35 O ATOM 1952 CG2 THR A 146 60.081 35.311 -20.764 1.00 23.01 C ATOM 1953 HA THR A 146 60.282 37.072 -18.484 1.00 0.00 H ATOM 1954 HB THR A 146 59.485 34.215 -19.048 1.00 0.00 H ATOM 1955 HG1 THR A 146 61.425 34.679 -17.793 1.00 0.00 H ATOM 1956 HG23 THR A 146 59.053 35.474 -21.088 1.00 0.00 H ATOM 1957 HG21 THR A 146 60.685 36.183 -21.016 1.00 0.00 H ATOM 1958 HG22 THR A 146 60.486 34.431 -21.263 1.00 0.00 H ATOM 1959 H THR A 146 59.215 34.800 -16.926 1.00 0.00 H ATOM 1960 N TRP A 147 57.157 36.126 -18.768 1.00 16.54 N ATOM 1961 CA TRP A 147 55.920 36.510 -19.392 1.00 16.71 C ATOM 1962 C TRP A 147 55.492 37.854 -18.779 1.00 16.85 C ATOM 1963 O TRP A 147 55.123 38.771 -19.501 1.00 16.85 O ATOM 1964 CB TRP A 147 54.854 35.429 -19.161 1.00 14.06 C ATOM 1965 CG TRP A 147 53.514 35.765 -19.869 1.00 16.38 C ATOM 1966 CD1 TRP A 147 53.114 35.345 -21.118 1.00 13.60 C ATOM 1967 CD2 TRP A 147 52.486 36.650 -19.395 1.00 13.89 C ATOM 1968 NE1 TRP A 147 51.871 35.883 -21.416 1.00 16.08 N ATOM 1969 CE2 TRP A 147 51.478 36.683 -20.371 1.00 14.31 C ATOM 1970 CE3 TRP A 147 52.324 37.421 -18.226 1.00 15.04 C ATOM 1971 CZ2 TRP A 147 50.318 37.418 -20.204 1.00 12.48 C ATOM 1972 CZ3 TRP A 147 51.170 38.134 -18.069 1.00 13.94 C ATOM 1973 CH2 TRP A 147 50.209 38.165 -19.073 1.00 13.93 C ATOM 1974 HA TRP A 147 56.043 36.616 -20.470 1.00 0.00 H ATOM 1975 HB2 TRP A 147 55.227 34.480 -19.547 1.00 0.00 H ATOM 1976 HB3 TRP A 147 54.672 35.338 -18.090 1.00 0.00 H ATOM 1977 HE1 TRP A 147 51.327 35.710 -22.285 1.00 0.00 H ATOM 1978 HD1 TRP A 147 53.687 34.689 -21.773 1.00 0.00 H ATOM 1979 HZ2 TRP A 147 49.523 37.399 -20.949 1.00 0.00 H ATOM 1980 HH2 TRP A 147 49.339 38.810 -18.949 1.00 0.00 H ATOM 1981 HZ3 TRP A 147 51.000 38.686 -17.145 1.00 0.00 H ATOM 1982 HE3 TRP A 147 53.103 37.447 -17.464 1.00 0.00 H ATOM 1983 H TRP A 147 57.180 35.334 -18.094 1.00 0.00 H ATOM 1984 N ILE A 148 55.549 37.959 -17.440 1.00 17.30 N ATOM 1985 CA ILE A 148 55.219 39.220 -16.752 1.00 17.35 C ATOM 1986 C ILE A 148 56.086 40.358 -17.266 1.00 17.54 C ATOM 1987 O ILE A 148 55.584 41.441 -17.638 1.00 18.67 O ATOM 1988 CB ILE A 148 55.327 39.075 -15.194 1.00 17.11 C ATOM 1989 CG1 ILE A 148 54.275 38.080 -14.686 1.00 18.84 C ATOM 1990 CG2 ILE A 148 55.228 40.488 -14.478 1.00 17.99 C ATOM 1991 CD1 ILE A 148 54.227 37.894 -13.106 1.00 16.48 C ATOM 1992 HA ILE A 148 54.180 39.460 -16.979 1.00 0.00 H ATOM 1993 HB ILE A 148 56.308 38.673 -14.940 1.00 0.00 H ATOM 1994 HG12 ILE A 148 53.295 38.427 -15.015 1.00 0.00 H ATOM 1995 HG13 ILE A 148 54.485 37.109 -15.134 1.00 0.00 H ATOM 1996 HD11 ILE A 148 55.193 37.532 -12.755 1.00 0.00 H ATOM 1997 HD12 ILE A 148 54.003 38.851 -12.635 1.00 0.00 H ATOM 1998 HD13 ILE A 148 53.452 37.172 -12.850 1.00 0.00 H ATOM 1999 HG21 ILE A 148 56.039 41.128 -14.825 1.00 0.00 H ATOM 2000 HG22 ILE A 148 54.271 40.950 -14.719 1.00 0.00 H ATOM 2001 HG23 ILE A 148 55.306 40.353 -13.399 1.00 0.00 H ATOM 2002 H ILE A 148 55.832 37.132 -16.877 1.00 0.00 H ATOM 2003 N GLN A 149 57.380 40.112 -17.321 1.00 17.96 N ATOM 2004 CA GLN A 149 58.299 41.141 -17.730 1.00 19.96 C ATOM 2005 C GLN A 149 58.035 41.609 -19.169 1.00 19.54 C ATOM 2006 O GLN A 149 58.016 42.798 -19.438 1.00 19.46 O ATOM 2007 CB GLN A 149 59.703 40.608 -17.635 1.00 20.61 C ATOM 2008 CG GLN A 149 60.728 41.597 -18.126 1.00 26.10 C ATOM 2009 CD GLN A 149 62.099 40.989 -18.232 1.00 32.30 C ATOM 2010 OE1 GLN A 149 62.292 39.932 -18.858 1.00 35.61 O ATOM 2011 NE2 GLN A 149 63.063 41.647 -17.624 1.00 34.47 N ATOM 2012 HA GLN A 149 58.162 41.997 -17.070 1.00 0.00 H ATOM 2013 HB2 GLN A 149 59.917 40.370 -16.593 1.00 0.00 H ATOM 2014 HB3 GLN A 149 59.775 39.702 -18.236 1.00 0.00 H ATOM 2015 HG2 GLN A 149 60.426 41.957 -19.110 1.00 0.00 H ATOM 2016 HG3 GLN A 149 60.768 42.435 -17.431 1.00 0.00 H ATOM 2017 HE22 GLN A 149 62.850 42.527 -17.113 1.00 0.00 H ATOM 2018 HE21 GLN A 149 64.038 41.287 -17.654 1.00 0.00 H ATOM 2019 H GLN A 149 57.739 39.169 -17.067 1.00 0.00 H ATOM 2020 N ASP A 150 57.842 40.658 -20.093 1.00 20.07 N ATOM 2021 CA ASP A 150 57.544 40.954 -21.483 1.00 19.87 C ATOM 2022 C ASP A 150 56.203 41.605 -21.711 1.00 19.89 C ATOM 2023 O ASP A 150 55.944 42.158 -22.768 1.00 20.51 O ATOM 2024 CB ASP A 150 57.631 39.723 -22.343 1.00 19.99 C ATOM 2025 CG ASP A 150 59.032 39.209 -22.457 1.00 22.84 C ATOM 2026 OD1 ASP A 150 59.987 39.831 -21.948 1.00 25.67 O ATOM 2027 OD2 ASP A 150 59.178 38.139 -23.019 1.00 22.90 O ATOM 2028 HA ASP A 150 58.309 41.676 -21.769 1.00 0.00 H ATOM 2029 HB2 ASP A 150 57.006 38.944 -21.906 1.00 0.00 H ATOM 2030 HB3 ASP A 150 57.264 39.965 -23.340 1.00 0.00 H ATOM 2031 H ASP A 150 57.909 39.662 -19.801 1.00 0.00 H ATOM 2032 N ASN A 151 55.323 41.504 -20.733 1.00 21.17 N ATOM 2033 CA ASN A 151 54.062 42.207 -20.779 1.00 20.21 C ATOM 2034 C ASN A 151 54.159 43.609 -20.262 1.00 22.21 C ATOM 2035 O ASN A 151 53.147 44.288 -20.171 1.00 25.26 O ATOM 2036 CB ASN A 151 52.988 41.408 -20.020 1.00 20.24 C ATOM 2037 CG ASN A 151 52.288 40.474 -20.932 1.00 19.36 C ATOM 2038 OD1 ASN A 151 51.279 40.830 -21.557 1.00 20.00 O ATOM 2039 ND2 ASN A 151 52.906 39.337 -21.165 1.00 22.35 N ATOM 2040 HA ASN A 151 53.773 42.291 -21.827 1.00 0.00 H ATOM 2041 HB2 ASN A 151 53.463 40.839 -19.221 1.00 0.00 H ATOM 2042 HB3 ASN A 151 52.263 42.100 -19.591 1.00 0.00 H ATOM 2043 HD22 ASN A 151 53.750 39.081 -20.614 1.00 0.00 H ATOM 2044 HD21 ASN A 151 52.551 38.693 -21.900 1.00 0.00 H ATOM 2045 H ASN A 151 55.542 40.905 -19.911 1.00 0.00 H ATOM 2046 N GLY A 152 55.365 44.056 -19.932 1.00 22.12 N ATOM 2047 CA GLY A 152 55.571 45.324 -19.244 1.00 22.73 C ATOM 2048 C GLY A 152 55.582 45.266 -17.718 1.00 22.37 C ATOM 2049 O GLY A 152 55.616 46.299 -17.047 1.00 24.05 O ATOM 2050 HA3 GLY A 152 54.772 46.001 -19.546 1.00 0.00 H ATOM 2051 HA2 GLY A 152 56.530 45.728 -19.569 1.00 0.00 H ATOM 2052 H GLY A 152 56.195 43.478 -20.174 1.00 0.00 H ATOM 2053 N GLY A 153 55.529 44.086 -17.127 1.00 20.68 N ATOM 2054 CA GLY A 153 55.664 44.047 -15.653 1.00 19.88 C ATOM 2055 C GLY A 153 54.363 44.332 -14.970 1.00 18.85 C ATOM 2056 O GLY A 153 53.343 44.485 -15.623 1.00 19.25 O ATOM 2057 HA3 GLY A 153 56.396 44.794 -15.345 1.00 0.00 H ATOM 2058 HA2 GLY A 153 56.010 43.057 -15.356 1.00 0.00 H ATOM 2059 H GLY A 153 55.397 43.214 -17.678 1.00 0.00 H ATOM 2060 N TRP A 154 54.393 44.420 -13.655 1.00 19.23 N ATOM 2061 CA TRP A 154 53.198 44.755 -12.848 1.00 20.50 C ATOM 2062 C TRP A 154 52.481 46.104 -13.127 1.00 20.13 C ATOM 2063 O TRP A 154 51.304 46.193 -12.882 1.00 21.20 O ATOM 2064 CB TRP A 154 53.508 44.601 -11.338 1.00 19.56 C ATOM 2065 CG TRP A 154 53.645 43.133 -10.931 1.00 20.53 C ATOM 2066 CD1 TRP A 154 54.801 42.424 -10.751 1.00 19.15 C ATOM 2067 CD2 TRP A 154 52.571 42.206 -10.751 1.00 17.62 C ATOM 2068 NE1 TRP A 154 54.503 41.097 -10.443 1.00 20.84 N ATOM 2069 CE2 TRP A 154 53.142 40.946 -10.427 1.00 19.99 C ATOM 2070 CE3 TRP A 154 51.188 42.315 -10.831 1.00 20.24 C ATOM 2071 CZ2 TRP A 154 52.363 39.795 -10.203 1.00 17.37 C ATOM 2072 CZ3 TRP A 154 50.412 41.180 -10.547 1.00 21.09 C ATOM 2073 CH2 TRP A 154 51.015 39.943 -10.231 1.00 19.41 C ATOM 2074 HA TRP A 154 52.463 44.024 -13.185 1.00 0.00 H ATOM 2075 HB2 TRP A 154 54.442 45.117 -11.115 1.00 0.00 H ATOM 2076 HB3 TRP A 154 52.699 45.052 -10.764 1.00 0.00 H ATOM 2077 HE1 TRP A 154 55.199 40.347 -10.256 1.00 0.00 H ATOM 2078 HD1 TRP A 154 55.807 42.836 -10.836 1.00 0.00 H ATOM 2079 HZ2 TRP A 154 52.824 38.825 -10.015 1.00 0.00 H ATOM 2080 HH2 TRP A 154 50.381 39.086 -10.004 1.00 0.00 H ATOM 2081 HZ3 TRP A 154 49.325 41.255 -10.571 1.00 0.00 H ATOM 2082 HE3 TRP A 154 50.717 43.258 -11.107 1.00 0.00 H ATOM 2083 H TRP A 154 55.293 44.247 -13.164 1.00 0.00 H ATOM 2084 N ASP A 155 53.164 47.132 -13.645 1.00 20.65 N ATOM 2085 CA ASP A 155 52.463 48.363 -14.137 1.00 19.81 C ATOM 2086 C ASP A 155 51.376 48.018 -15.153 1.00 18.89 C ATOM 2087 O ASP A 155 50.309 48.667 -15.239 1.00 18.67 O ATOM 2088 CB ASP A 155 53.435 49.292 -14.884 1.00 20.68 C ATOM 2089 CG ASP A 155 54.388 50.047 -13.982 1.00 22.40 C ATOM 2090 OD1 ASP A 155 54.205 50.114 -12.762 1.00 24.22 O ATOM 2091 OD2 ASP A 155 55.343 50.638 -14.549 1.00 28.67 O ATOM 2092 HA ASP A 155 52.045 48.840 -13.250 1.00 0.00 H ATOM 2093 HB2 ASP A 155 54.024 48.688 -15.574 1.00 0.00 H ATOM 2094 HB3 ASP A 155 52.849 50.018 -15.447 1.00 0.00 H ATOM 2095 H ASP A 155 54.201 47.076 -13.707 1.00 0.00 H ATOM 2096 N ALA A 156 51.659 47.031 -15.995 1.00 17.82 N ATOM 2097 CA ALA A 156 50.681 46.645 -17.026 1.00 18.87 C ATOM 2098 C ALA A 156 49.399 46.050 -16.443 1.00 18.65 C ATOM 2099 O ALA A 156 48.291 46.287 -16.944 1.00 20.39 O ATOM 2100 CB ALA A 156 51.333 45.677 -18.069 1.00 17.10 C ATOM 2101 HA ALA A 156 50.383 47.561 -17.536 1.00 0.00 H ATOM 2102 HB1 ALA A 156 52.175 46.176 -18.549 1.00 0.00 H ATOM 2103 HB2 ALA A 156 51.683 44.779 -17.560 1.00 0.00 H ATOM 2104 HB3 ALA A 156 50.593 45.404 -18.822 1.00 0.00 H ATOM 2105 H ALA A 156 52.569 46.532 -15.927 1.00 0.00 H ATOM 2106 N PHE A 157 49.567 45.256 -15.389 1.00 19.27 N ATOM 2107 CA PHE A 157 48.456 44.678 -14.652 1.00 19.53 C ATOM 2108 C PHE A 157 47.627 45.794 -13.998 1.00 20.45 C ATOM 2109 O PHE A 157 46.392 45.808 -14.080 1.00 19.96 O ATOM 2110 CB PHE A 157 49.017 43.768 -13.541 1.00 20.67 C ATOM 2111 CG PHE A 157 47.954 43.188 -12.647 1.00 19.33 C ATOM 2112 CD1 PHE A 157 47.169 42.144 -13.094 1.00 19.60 C ATOM 2113 CD2 PHE A 157 47.736 43.693 -11.396 1.00 21.29 C ATOM 2114 CE1 PHE A 157 46.193 41.597 -12.305 1.00 22.12 C ATOM 2115 CE2 PHE A 157 46.766 43.153 -10.592 1.00 23.94 C ATOM 2116 CZ PHE A 157 45.981 42.098 -11.055 1.00 21.09 C ATOM 2117 HA PHE A 157 47.827 44.107 -15.335 1.00 0.00 H ATOM 2118 HB2 PHE A 157 49.561 42.947 -14.009 1.00 0.00 H ATOM 2119 HB3 PHE A 157 49.702 44.354 -12.928 1.00 0.00 H ATOM 2120 HD2 PHE A 157 48.336 44.529 -11.036 1.00 0.00 H ATOM 2121 HE2 PHE A 157 46.608 43.549 -9.589 1.00 0.00 H ATOM 2122 HZ PHE A 157 45.202 41.676 -10.421 1.00 0.00 H ATOM 2123 HE1 PHE A 157 45.590 40.767 -12.674 1.00 0.00 H ATOM 2124 HD1 PHE A 157 47.330 41.747 -14.096 1.00 0.00 H ATOM 2125 H PHE A 157 50.536 45.039 -15.079 1.00 0.00 H ATOM 2126 N VAL A 158 48.331 46.702 -13.314 1.00 19.98 N ATOM 2127 CA VAL A 158 47.724 47.895 -12.724 1.00 20.63 C ATOM 2128 C VAL A 158 46.884 48.704 -13.707 1.00 21.27 C ATOM 2129 O VAL A 158 45.761 49.064 -13.384 1.00 20.88 O ATOM 2130 CB VAL A 158 48.817 48.783 -12.052 1.00 21.45 C ATOM 2131 CG1 VAL A 158 48.248 50.139 -11.587 1.00 20.16 C ATOM 2132 CG2 VAL A 158 49.379 48.049 -10.902 1.00 19.62 C ATOM 2133 HA VAL A 158 47.027 47.545 -11.963 1.00 0.00 H ATOM 2134 HB VAL A 158 49.594 48.995 -12.786 1.00 0.00 H ATOM 2135 HG11 VAL A 158 47.849 50.678 -12.446 1.00 0.00 H ATOM 2136 HG12 VAL A 158 47.452 49.968 -10.862 1.00 0.00 H ATOM 2137 HG13 VAL A 158 49.042 50.726 -11.125 1.00 0.00 H ATOM 2138 HG21 VAL A 158 48.585 47.833 -10.187 1.00 0.00 H ATOM 2139 HG22 VAL A 158 49.821 47.115 -11.249 1.00 0.00 H ATOM 2140 HG23 VAL A 158 50.145 48.659 -10.423 1.00 0.00 H ATOM 2141 H VAL A 158 49.354 46.554 -13.196 1.00 0.00 H ATOM 2142 N GLU A 159 47.427 48.966 -14.909 1.00 22.14 N ATOM 2143 CA GLU A 159 46.733 49.709 -15.933 1.00 22.64 C ATOM 2144 C GLU A 159 45.501 48.918 -16.451 1.00 24.35 C ATOM 2145 O GLU A 159 44.414 49.464 -16.625 1.00 24.32 O ATOM 2146 CB GLU A 159 47.699 50.039 -17.102 1.00 22.03 C ATOM 2147 CG GLU A 159 46.964 50.682 -18.303 1.00 21.71 C ATOM 2148 CD GLU A 159 47.892 51.252 -19.325 1.00 24.14 C ATOM 2149 OE1 GLU A 159 48.919 51.847 -18.946 1.00 21.62 O ATOM 2150 OE2 GLU A 159 47.616 51.034 -20.536 1.00 28.54 O ATOM 2151 HA GLU A 159 46.376 50.643 -15.499 1.00 0.00 H ATOM 2152 HB2 GLU A 159 48.460 50.732 -16.744 1.00 0.00 H ATOM 2153 HB3 GLU A 159 48.176 49.117 -17.435 1.00 0.00 H ATOM 2154 HG2 GLU A 159 46.348 49.920 -18.781 1.00 0.00 H ATOM 2155 HG3 GLU A 159 46.325 51.483 -17.930 1.00 0.00 H ATOM 2156 H GLU A 159 48.387 48.619 -15.109 1.00 0.00 H ATOM 2157 N LEU A 160 45.683 47.620 -16.690 1.00 26.59 N ATOM 2158 CA LEU A 160 44.605 46.763 -17.175 1.00 28.18 C ATOM 2159 C LEU A 160 43.444 46.660 -16.210 1.00 29.33 C ATOM 2160 O LEU A 160 42.306 46.729 -16.619 1.00 30.17 O ATOM 2161 CB LEU A 160 45.147 45.353 -17.396 1.00 28.59 C ATOM 2162 CG LEU A 160 44.936 44.766 -18.776 1.00 30.93 C ATOM 2163 CD1 LEU A 160 45.220 43.236 -18.757 1.00 29.68 C ATOM 2164 CD2 LEU A 160 43.520 45.076 -19.301 1.00 32.24 C ATOM 2165 HA LEU A 160 44.241 47.215 -18.097 1.00 0.00 H ATOM 2166 HB2 LEU A 160 46.220 45.374 -17.204 1.00 0.00 H ATOM 2167 HB3 LEU A 160 44.663 44.693 -16.676 1.00 0.00 H ATOM 2168 HG LEU A 160 45.641 45.232 -19.465 1.00 0.00 H ATOM 2169 HD21 LEU A 160 42.781 44.649 -18.623 1.00 0.00 H ATOM 2170 HD22 LEU A 160 43.383 46.156 -19.356 1.00 0.00 H ATOM 2171 HD23 LEU A 160 43.399 44.642 -20.293 1.00 0.00 H ATOM 2172 HD11 LEU A 160 46.251 43.063 -18.448 1.00 0.00 H ATOM 2173 HD12 LEU A 160 44.543 42.751 -18.054 1.00 0.00 H ATOM 2174 HD13 LEU A 160 45.065 42.826 -19.755 1.00 0.00 H ATOM 2175 H LEU A 160 46.622 47.204 -16.526 1.00 0.00 H ATOM 2176 N TYR A 161 43.742 46.475 -14.930 1.00 30.83 N ATOM 2177 CA TYR A 161 42.730 46.244 -13.900 1.00 33.06 C ATOM 2178 C TYR A 161 42.378 47.517 -13.118 1.00 36.04 C ATOM 2179 O TYR A 161 41.766 47.440 -12.060 1.00 35.31 O ATOM 2180 CB TYR A 161 43.202 45.149 -12.918 1.00 30.77 C ATOM 2181 CG TYR A 161 43.057 43.745 -13.485 1.00 28.38 C ATOM 2182 CD1 TYR A 161 43.953 43.255 -14.438 1.00 25.58 C ATOM 2183 CD2 TYR A 161 42.008 42.927 -13.091 1.00 25.02 C ATOM 2184 CE1 TYR A 161 43.817 41.980 -14.975 1.00 25.83 C ATOM 2185 CE2 TYR A 161 41.876 41.649 -13.614 1.00 25.24 C ATOM 2186 CZ TYR A 161 42.782 41.188 -14.542 1.00 25.54 C ATOM 2187 OH TYR A 161 42.639 39.939 -15.058 1.00 27.70 O ATOM 2188 HA TYR A 161 41.828 45.917 -14.418 1.00 0.00 H ATOM 2189 HB3 TYR A 161 42.609 45.219 -12.006 1.00 0.00 H ATOM 2190 HB2 TYR A 161 44.252 45.322 -12.681 1.00 0.00 H ATOM 2191 HD2 TYR A 161 41.282 43.292 -12.365 1.00 0.00 H ATOM 2192 HE2 TYR A 161 41.055 41.010 -13.290 1.00 0.00 H ATOM 2193 HE1 TYR A 161 44.519 41.616 -15.726 1.00 0.00 H ATOM 2194 HD1 TYR A 161 44.778 43.887 -14.768 1.00 0.00 H ATOM 2195 HH TYR A 161 42.681 39.274 -14.326 1.00 0.00 H ATOM 2196 H TYR A 161 44.742 46.495 -14.646 1.00 0.00 H ATOM 2197 N GLY A 162 42.788 48.672 -13.644 1.00 39.63 N ATOM 2198 CA GLY A 162 42.392 49.981 -13.095 1.00 43.42 C ATOM 2199 C GLY A 162 40.918 50.313 -13.304 1.00 47.03 C ATOM 2200 O GLY A 162 40.273 50.807 -12.383 1.00 46.42 O ATOM 2201 HA3 GLY A 162 42.991 50.753 -13.579 1.00 0.00 H ATOM 2202 HA2 GLY A 162 42.597 49.982 -12.024 1.00 0.00 H ATOM 2203 H GLY A 162 43.412 48.648 -14.475 1.00 0.00 H ATOM 2204 N PRO A 163 40.366 50.060 -14.525 1.00 49.75 N ATOM 2205 CA PRO A 163 38.938 50.355 -14.766 1.00 51.94 C ATOM 2206 C PRO A 163 37.941 49.609 -13.878 1.00 54.01 C ATOM 2207 O PRO A 163 36.788 50.027 -13.798 1.00 54.51 O ATOM 2208 CB PRO A 163 38.723 49.981 -16.245 1.00 51.87 C ATOM 2209 CG PRO A 163 39.885 49.153 -16.622 1.00 51.77 C ATOM 2210 CD PRO A 163 41.028 49.582 -15.752 1.00 50.13 C ATOM 2211 HA PRO A 163 38.742 51.399 -14.523 1.00 0.00 H ATOM 2212 HD3 PRO A 163 41.690 48.743 -15.536 1.00 0.00 H ATOM 2213 HD2 PRO A 163 41.599 50.382 -16.224 1.00 0.00 H ATOM 2214 HG3 PRO A 163 40.133 49.311 -17.672 1.00 0.00 H ATOM 2215 HG2 PRO A 163 39.663 48.099 -16.457 1.00 0.00 H ATOM 2216 HB2 PRO A 163 37.799 49.415 -16.364 1.00 0.00 H ATOM 2217 HB3 PRO A 163 38.680 50.879 -16.862 1.00 0.00 H ATOM 2218 N SER A 164 38.380 48.520 -13.236 1.00 56.22 N ATOM 2219 CA SER A 164 37.564 47.788 -12.261 1.00 57.52 C ATOM 2220 C SER A 164 37.986 48.130 -10.823 1.00 58.44 C ATOM 2221 O SER A 164 37.609 47.464 -9.849 1.00 59.06 O ATOM 2222 CB SER A 164 37.630 46.281 -12.535 1.00 57.93 C ATOM 2223 OG SER A 164 38.961 45.787 -12.450 1.00 58.25 O ATOM 2224 HA SER A 164 36.525 48.099 -12.371 1.00 0.00 H ATOM 2225 HB2 SER A 164 37.244 46.087 -13.536 1.00 0.00 H ATOM 2226 HB3 SER A 164 37.013 45.761 -11.802 1.00 0.00 H ATOM 2227 HG SER A 164 38.963 44.814 -12.632 1.00 0.00 H ATOM 2228 H SER A 164 39.341 48.178 -13.437 1.00 0.00 H ATOM 2229 N MET A 165 38.769 49.193 -10.705 1.00 59.47 N ATOM 2230 CA MET A 165 39.191 49.720 -9.418 1.00 60.32 C ATOM 2231 C MET A 165 38.578 51.104 -9.220 1.00 60.55 C ATOM 2232 O MET A 165 37.469 51.360 -9.698 1.00 60.45 O ATOM 2233 CB MET A 165 40.718 49.789 -9.356 1.00 60.71 C ATOM 2234 CG MET A 165 41.362 48.526 -8.776 1.00 61.35 C ATOM 2235 SD MET A 165 41.446 48.642 -6.977 1.00 65.41 S ATOM 2236 CE MET A 165 42.739 49.886 -6.733 1.00 63.68 C ATOM 2237 HA MET A 165 38.849 49.062 -8.619 1.00 0.00 H ATOM 2238 HB2 MET A 165 41.099 49.938 -10.366 1.00 0.00 H ATOM 2239 HB3 MET A 165 41.001 50.638 -8.734 1.00 0.00 H ATOM 2240 HG2 MET A 165 42.369 48.418 -9.178 1.00 0.00 H ATOM 2241 HG3 MET A 165 40.766 47.657 -9.054 1.00 0.00 H ATOM 2242 HE1 MET A 165 43.669 49.535 -7.181 1.00 0.00 H ATOM 2243 HE2 MET A 165 42.437 50.820 -7.206 1.00 0.00 H ATOM 2244 HE3 MET A 165 42.887 50.049 -5.666 1.00 0.00 H ATOM 2245 H MET A 165 39.095 49.670 -11.570 1.00 0.00 H TER 2246 MET A 165 HETATM 2247 O HOH 1 61.361 46.647 -5.867 1.00 45.14 O HETATM 2248 O HOH 2 61.152 37.897 -4.871 1.00 38.12 O HETATM 2249 O HOH 3 58.434 41.930 -8.723 1.00 50.75 O HETATM 2250 O HOH 4 58.530 41.202 -11.945 1.00 45.26 O HETATM 2251 O HOH 5 64.376 36.626 0.081 1.00 57.35 O HETATM 2252 O HOH 6 48.674 42.917 3.432 1.00 41.88 O HETATM 2253 O HOH 7 44.345 39.517 -0.329 1.00 30.34 O HETATM 2254 O HOH 8 50.138 40.182 11.005 1.00 38.35 O HETATM 2255 O HOH 9 51.782 42.652 9.994 1.00 56.85 O HETATM 2256 O HOH 10 47.567 37.593 8.280 1.00 24.33 O HETATM 2257 O HOH 11 46.745 42.478 5.954 1.00 37.83 O HETATM 2258 O HOH 12 40.051 47.079 3.625 1.00 58.23 O HETATM 2259 O HOH 13 45.591 43.571 7.663 1.00 38.93 O HETATM 2260 O HOH 14 36.700 39.496 8.117 1.00 26.05 O HETATM 2261 O HOH 15 39.198 32.371 11.744 1.00 43.20 O HETATM 2262 O HOH 16 41.548 36.869 16.149 1.00 47.76 O HETATM 2263 O HOH 17 45.758 36.296 15.114 1.00 23.39 O HETATM 2264 O HOH 18 51.046 30.197 9.438 1.00 20.86 O HETATM 2265 O HOH 19 30.162 39.454 -11.952 1.00 41.42 O HETATM 2266 O HOH 20 30.052 38.343 -10.124 1.00 48.27 O HETATM 2267 O HOH 21 46.242 44.843 -23.031 1.00 37.12 O HETATM 2268 O HOH 22 45.833 43.145 14.001 1.00 42.58 O HETATM 2269 O HOH 23 55.786 33.233 9.211 1.00 86.75 O HETATM 2270 O HOH 24 59.702 35.732 10.033 1.00 52.17 O HETATM 2271 O HOH 25 30.871 32.058 -1.409 1.00 54.38 O HETATM 2272 O HOH 26 25.474 29.864 -8.911 1.00 43.95 O HETATM 2273 O HOH 27 53.878 18.121 8.750 1.00 61.36 O HETATM 2274 O HOH 28 53.929 15.910 7.031 1.00 42.75 O HETATM 2275 O HOH 29 58.454 33.551 7.903 1.00 52.17 O HETATM 2276 O HOH 30 53.124 39.151 6.756 1.00 78.99 O HETATM 2277 O HOH 31 34.401 23.813 -11.589 1.00 46.62 O HETATM 2278 O HOH 32 30.285 27.420 -16.533 1.00 41.89 O HETATM 2279 O HOH 33 55.431 45.735 -4.858 1.00 55.10 O HETATM 2280 O HOH 34 57.023 49.911 -4.546 1.00 49.59 O HETATM 2281 O HOH 35 49.861 41.888 -3.106 1.00 16.98 O HETATM 2282 O HOH 36 47.457 41.994 -2.728 1.00 19.21 O HETATM 2283 O HOH 37 44.523 49.631 -10.574 1.00 38.43 O HETATM 2284 O HOH 38 55.048 23.197 -13.509 1.00 39.81 O HETATM 2285 O HOH 39 41.599 39.028 -3.285 1.00 33.82 O HETATM 2286 O HOH 40 47.448 43.841 0.755 1.00 40.03 O HETATM 2287 O HOH 41 46.338 42.254 -0.307 1.00 35.97 O HETATM 2288 O HOH 42 52.651 23.028 -18.903 1.00 35.65 O HETATM 2289 O HOH 43 45.079 27.724 -26.320 1.00 35.71 O HETATM 2290 O HOH 44 39.387 39.331 -11.696 1.00 19.49 O HETATM 2291 O HOH 45 48.286 45.001 -21.205 1.00 34.93 O HETATM 2292 O HOH 46 35.482 38.520 -2.644 1.00 56.19 O HETATM 2293 O HOH 47 39.459 43.413 -11.065 1.00 49.49 O HETATM 2294 O HOH 48 33.186 39.460 -10.494 1.00 41.57 O HETATM 2295 O HOH 49 35.149 42.156 -12.829 1.00 47.93 O HETATM 2296 O HOH 50 37.309 37.734 -12.651 1.00 33.95 O HETATM 2297 O HOH 51 33.824 33.546 -3.084 1.00 38.27 O HETATM 2298 O HOH 52 28.701 36.745 -9.168 1.00 35.91 O HETATM 2299 O HOH 53 58.242 33.318 1.109 1.00 44.24 O HETATM 2300 O HOH 54 54.485 19.861 6.155 1.00 47.10 O HETATM 2301 O HOH 55 32.768 30.502 -2.734 1.00 32.16 O HETATM 2302 O HOH 56 28.662 31.602 -8.599 1.00 28.51 O HETATM 2303 O HOH 57 24.372 27.413 -12.051 1.00 32.96 O HETATM 2304 O HOH 58 28.940 28.293 -12.159 1.00 45.81 O HETATM 2305 O HOH 59 63.412 41.511 -7.365 1.00 51.84 O HETATM 2306 O HOH 60 34.946 23.015 -8.918 1.00 43.36 O HETATM 2307 O HOH 61 30.664 29.594 -10.150 1.00 36.32 O HETATM 2308 O HOH 62 31.743 27.843 -14.188 1.00 52.53 O HETATM 2309 O HOH 63 57.650 24.401 -10.336 1.00 52.38 O HETATM 2310 O HOH 64 46.714 41.630 -23.068 1.00 40.28 O HETATM 2311 O HOH 65 59.207 43.144 -15.069 1.00 36.19 O HETATM 2312 O HOH 66 39.527 20.301 -4.920 1.00 46.19 O HETATM 2313 O HOH 67 34.215 18.536 -4.768 1.00 57.34 O HETATM 2314 O HOH 68 40.979 41.873 -18.611 1.00 58.63 O HETATM 2315 O HOH 69 44.471 14.216 1.750 1.00 34.96 O HETATM 2316 O HOH 70 46.758 13.362 2.836 1.00 25.88 O HETATM 2317 O HOH 71 45.353 17.506 -1.536 1.00 41.04 O HETATM 2318 O HOH 72 60.947 24.676 -2.189 1.00 59.86 O HETATM 2319 O HOH 73 56.320 22.367 -5.730 1.00 51.99 O HETATM 2320 O HOH 74 54.133 22.395 -11.306 1.00 31.94 O HETATM 2321 O HOH 75 49.778 18.598 -13.692 1.00 34.78 O HETATM 2322 O HOH 76 52.064 24.576 -17.195 1.00 31.81 O HETATM 2323 O HOH 77 43.510 17.237 -10.843 1.00 47.23 O HETATM 2324 O HOH 78 42.403 19.725 -10.217 1.00 42.55 O HETATM 2325 O HOH 79 45.879 26.880 -19.363 1.00 27.76 O HETATM 2326 O HOH 80 52.627 27.640 -19.649 1.00 34.77 O HETATM 2327 O HOH 81 47.739 28.488 -26.075 1.00 42.26 O HETATM 2328 O HOH 82 43.359 25.978 -20.160 1.00 38.53 O HETATM 2329 O HOH 83 49.638 35.340 -23.494 1.00 17.14 O HETATM 2330 O HOH 84 41.936 33.849 -17.839 1.00 36.31 O HETATM 2331 O HOH 85 49.791 43.185 -20.490 1.00 29.38 O HETATM 2332 O HOH 86 46.682 38.850 -20.251 1.00 31.04 O HETATM 2333 O HOH 87 43.366 37.777 -19.120 1.00 20.63 O HETATM 2334 O HOH 88 40.812 35.490 -14.071 1.00 41.09 O HETATM 2335 O HOH 89 41.894 29.229 -19.610 1.00 47.71 O HETATM 2336 O HOH 90 41.274 31.474 -18.727 1.00 56.25 O HETATM 2337 O HOH 91 41.164 33.175 -2.721 1.00 61.73 O HETATM 2338 O HOH 92 38.786 22.484 1.668 1.00 72.49 O HETATM 2339 O HOH 93 39.854 20.750 2.964 1.00 46.25 O HETATM 2340 O HOH 94 44.441 19.916 14.692 1.00 30.05 O HETATM 2341 O HOH 95 47.101 21.088 13.516 1.00 30.31 O HETATM 2342 O HOH 96 57.651 31.193 3.300 1.00 43.26 O HETATM 2343 O HOH 97 53.319 30.337 10.786 1.00 32.53 O HETATM 2344 O HOH 98 58.870 23.592 1.375 1.00 37.66 O HETATM 2345 O HOH 99 54.903 22.805 7.356 1.00 29.45 O HETATM 2346 O HOH 100 56.643 26.325 -6.892 1.00 31.31 O HETATM 2347 O HOH 101 61.201 38.963 -7.727 1.00 39.52 O HETATM 2348 O HOH 102 62.110 32.804 -5.786 1.00 44.56 O HETATM 2349 O HOH 103 62.988 28.716 -14.846 1.00 50.09 O HETATM 2350 O HOH 104 57.215 33.302 -17.946 1.00 30.68 O HETATM 2351 O HOH 105 55.458 29.996 -18.699 1.00 31.16 O HETATM 2352 O HOH 106 58.789 26.577 -9.312 1.00 33.43 O HETATM 2353 O HOH 107 60.449 32.780 -16.441 1.00 26.38 O HETATM 2354 O HOH 108 62.268 38.844 -20.755 1.00 36.62 O HETATM 2355 O HOH 109 61.260 41.928 -22.951 1.00 40.13 O HETATM 2356 O HOH 110 48.743 39.718 -22.571 1.00 31.08 O HETATM 2357 O HOH 111 56.270 47.363 -14.286 1.00 22.04 O HETATM 2358 O HOH 112 57.348 44.253 -12.665 1.00 26.36 O HETATM 2359 O HOH 113 48.078 47.132 -19.444 1.00 19.03 O HETATM 2360 O HOH 114 45.897 53.785 -20.167 1.00 41.98 O HETATM 2361 O HOH 115 46.176 48.131 -21.131 1.00 43.82 O HETATM 2362 O HOH 116 40.852 38.310 -13.543 1.00 31.12 O HETATM 2363 O HOH 117 42.224 39.839 -17.924 1.00 40.51 O HETATM 2364 O HOH 118 42.776 53.550 -12.701 1.00 47.54 O HETATM 2365 O HOH 119 39.057 45.758 -15.572 1.00 59.04 O HETATM 2366 O HOH 120 35.856 29.163 -17.059 1.00 31.64 O HETATM 2367 O HOH 121 39.801 28.957 -18.303 1.00 50.87 O HETATM 2368 CBF DRO A 122 42.842 26.978 -10.650 1.00 -0.04 C HETATM 2369 CBG DRO A 122 43.078 28.231 -10.089 1.00 -0.07 C HETATM 2370 CBH DRO A 122 42.050 28.935 -9.479 1.00 -0.08 C HETATM 2371 CBI DRO A 122 40.755 28.432 -9.417 1.00 -0.07 C HETATM 2372 CBJ DRO A 122 40.521 27.165 -9.999 1.00 -0.04 C HETATM 2373 CBE DRO A 122 41.543 26.452 -10.636 1.00 0.09 C HETATM 2374 NBB DRO A 122 41.313 25.209 -11.171 1.00 -0.17 N HETATM 2375 CBD DRO A 122 40.989 24.194 -10.293 1.00 0.09 C HETATM 2376 CBK DRO A 122 39.685 23.650 -10.365 1.00 -0.04 C HETATM 2377 CBL DRO A 122 39.265 22.633 -9.486 1.00 -0.07 C HETATM 2378 CBM DRO A 122 40.134 22.166 -8.487 1.00 -0.08 C HETATM 2379 CBN DRO A 122 41.409 22.728 -8.372 1.00 -0.07 C HETATM 2380 CBO DRO A 122 41.825 23.736 -9.269 1.00 -0.04 C HETATM 2381 H10 DRO A 122 42.815 24.165 -9.162 1.00 0.05 H HETATM 2382 H9 DRO A 122 42.081 22.389 -7.592 1.00 0.06 H HETATM 2383 H8 DRO A 122 39.820 21.378 -7.812 1.00 0.05 H HETATM 2384 H7 DRO A 122 38.271 22.211 -9.581 1.00 0.06 H HETATM 2385 H6 DRO A 122 38.995 24.024 -11.113 1.00 0.05 H HETATM 2386 CBA DRO A 122 41.337 24.923 -12.480 1.00 0.26 C HETATM 2387 OBC DRO A 122 41.100 23.779 -12.880 1.00 -0.36 O HETATM 2388 CAH DRO A 122 41.573 26.033 -13.552 1.00 0.12 C HETATM 2389 NAG DRO A 122 40.982 27.238 -13.553 1.00 -0.19 N HETATM 2390 NAF DRO A 122 41.284 27.896 -14.564 1.00 -0.15 N HETATM 2391 CAJ DRO A 122 42.091 27.172 -15.366 1.00 0.10 C HETATM 2392 CAI DRO A 122 42.262 25.935 -14.749 1.00 0.07 C HETATM 2393 CL1 DRO A 122 43.197 24.566 -15.272 1.00 -0.11 CL HETATM 2394 CAK DRO A 122 42.695 27.600 -16.718 1.00 0.00 C HETATM 2395 H11 DRO A 122 43.309 26.781 -17.121 1.00 0.04 H HETATM 2396 H12 DRO A 122 43.322 28.492 -16.573 1.00 0.04 H HETATM 2397 H13 DRO A 122 41.885 27.832 -17.425 1.00 0.04 H HETATM 2398 CAE DRO A 122 40.825 29.154 -14.770 1.00 0.13 C HETATM 2399 CAA DRO A 122 41.673 30.259 -14.776 1.00 -0.02 C HETATM 2400 CAB DRO A 122 41.159 31.540 -14.999 1.00 -0.06 C HETATM 2401 CAC DRO A 122 39.799 31.731 -15.188 1.00 -0.06 C HETATM 2402 CAY DRO A 122 38.937 30.656 -15.161 1.00 -0.05 C HETATM 2403 CAD DRO A 122 39.444 29.372 -14.941 1.00 0.09 C HETATM 2404 CAL DRO A 122 38.477 28.172 -14.915 1.00 0.21 C HETATM 2405 OAN DRO A 122 38.517 27.323 -15.822 1.00 -0.39 O HETATM 2406 NAM DRO A 122 37.594 27.995 -13.915 1.00 -0.25 N HETATM 2407 CAQ DRO A 122 37.477 28.914 -12.710 1.00 0.07 C HETATM 2408 CAR DRO A 122 37.266 28.032 -11.444 1.00 -0.02 C HETATM 2409 CAW DRO A 122 37.227 28.651 -10.181 1.00 -0.06 C HETATM 2410 CAV DRO A 122 37.021 27.908 -9.008 1.00 -0.08 C HETATM 2411 CAU DRO A 122 36.841 26.542 -9.085 1.00 -0.08 C HETATM 2412 CAT DRO A 122 36.883 25.908 -10.321 1.00 -0.07 C HETATM 2413 CAS DRO A 122 37.081 26.646 -11.501 1.00 -0.04 C HETATM 2414 CAP DRO A 122 37.101 25.852 -12.809 1.00 0.01 C HETATM 2415 CAO DRO A 122 36.727 26.790 -13.971 1.00 0.09 C HETATM 2416 CAX DRO A 122 35.246 27.183 -13.869 1.00 -0.01 C HETATM 2417 NAZ DRO A 122 34.613 27.010 -15.175 1.00 0.22 N HETATM 2418 H29 DRO A 122 33.640 27.267 -15.114 1.00 0.20 H HETATM 2419 H30 DRO A 122 34.689 26.046 -15.460 1.00 0.20 H HETATM 2420 H31 DRO A 122 35.074 27.598 -15.852 1.00 0.20 H HETATM 2421 H27 DRO A 122 35.165 28.235 -13.557 1.00 0.08 H HETATM 2422 H28 DRO A 122 34.745 26.541 -13.129 1.00 0.08 H HETATM 2423 H26 DRO A 122 36.894 26.270 -14.926 1.00 0.06 H HETATM 2424 H24 DRO A 122 36.374 25.028 -12.752 1.00 0.04 H HETATM 2425 H25 DRO A 122 38.108 25.442 -12.976 1.00 0.04 H HETATM 2426 H23 DRO A 122 36.762 24.832 -10.376 1.00 0.05 H HETATM 2427 H22 DRO A 122 36.667 25.965 -8.184 1.00 0.05 H HETATM 2428 H21 DRO A 122 37.003 28.405 -8.045 1.00 0.05 H HETATM 2429 H20 DRO A 122 37.359 29.725 -10.112 1.00 0.05 H HETATM 2430 H18 DRO A 122 36.619 29.591 -12.839 1.00 0.07 H HETATM 2431 H19 DRO A 122 38.398 29.506 -12.602 1.00 0.07 H HETATM 2432 H17 DRO A 122 37.874 30.805 -15.309 1.00 0.07 H HETATM 2433 H16 DRO A 122 39.412 32.729 -15.358 1.00 0.06 H HETATM 2434 H15 DRO A 122 41.830 32.391 -15.024 1.00 0.06 H HETATM 2435 H14 DRO A 122 42.735 30.125 -14.607 1.00 0.06 H HETATM 2436 H5 DRO A 122 39.527 26.736 -9.951 1.00 0.05 H HETATM 2437 H4 DRO A 122 39.956 28.989 -8.941 1.00 0.06 H HETATM 2438 H3 DRO A 122 42.262 29.903 -9.039 1.00 0.05 H HETATM 2439 H2 DRO A 122 44.073 28.659 -10.129 1.00 0.06 H HETATM 2440 H1 DRO A 122 43.655 26.415 -11.093 1.00 0.05 H CONECT 1 2 21 22 23 CONECT 21 1 CONECT 22 1 CONECT 23 1 CONECT 398 399 408 409 410 CONECT 408 398 CONECT 409 398 CONECT 410 398 CONECT 2368 2369 2373 2440 CONECT 2369 2368 2370 2439 CONECT 2370 2369 2371 2438 CONECT 2371 2370 2372 2437 CONECT 2372 2371 2373 2436 CONECT 2373 2368 2372 2374 CONECT 2374 2373 2375 2386 CONECT 2375 2374 2376 2380 CONECT 2376 2375 2377 2385 CONECT 2377 2376 2378 2384 CONECT 2378 2377 2379 2383 CONECT 2379 2378 2380 2382 CONECT 2380 2375 2379 2381 CONECT 2381 2380 CONECT 2382 2379 CONECT 2383 2378 CONECT 2384 2377 CONECT 2385 2376 CONECT 2386 2374 2387 2388 CONECT 2387 2386 CONECT 2388 2386 2389 2392 CONECT 2389 2388 2390 CONECT 2390 2389 2391 2398 CONECT 2391 2390 2392 2394 CONECT 2392 2388 2391 2393 CONECT 2393 2392 CONECT 2394 2391 2395 2396 2397 CONECT 2395 2394 CONECT 2396 2394 CONECT 2397 2394 CONECT 2398 2390 2399 2403 CONECT 2399 2398 2400 2435 CONECT 2400 2399 2401 2434 CONECT 2401 2400 2402 2433 CONECT 2402 2401 2403 2432 CONECT 2403 2398 2402 2404 CONECT 2404 2403 2405 2406 CONECT 2405 2404 CONECT 2406 2404 2407 2415 CONECT 2407 2406 2408 2430 2431 CONECT 2408 2407 2409 2413 CONECT 2409 2408 2410 2429 CONECT 2410 2409 2411 2428 CONECT 2411 2410 2412 2427 CONECT 2412 2411 2413 2426 CONECT 2413 2408 2412 2414 CONECT 2414 2413 2415 2424 2425 CONECT 2415 2406 2414 2416 2423 CONECT 2416 2415 2417 2421 2422 CONECT 2417 2416 2418 2419 2420 CONECT 2418 2417 CONECT 2419 2417 CONECT 2420 2417 CONECT 2421 2416 CONECT 2422 2416 CONECT 2423 2415 CONECT 2424 2414 CONECT 2425 2414 CONECT 2426 2412 CONECT 2427 2411 CONECT 2428 2410 CONECT 2429 2409 CONECT 2430 2407 CONECT 2431 2407 CONECT 2432 2402 CONECT 2433 2401 CONECT 2434 2400 CONECT 2435 2399 CONECT 2436 2372 CONECT 2437 2371 CONECT 2438 2370 CONECT 2439 2369 CONECT 2440 2368 MASTER 0 0 0 0 0 0 0 0 2438 2 81 11 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2w3l
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human APOPTOSIS REGULATOR BCL-2
Ligand Name
DRO
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
IC50=0.03uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Bioorg. Med. Chem. Lett., Vol.19, pp.230-233
Ligand Properties
Formula
C
3
4
H
3
1
ClN
5
O
2
Molecular Weight
577.095
Exact Mass
576.217
No. of atoms
73
No. of bonds
78
Polar Surface Area
86.08
LOGP Value
5.94 (
Computed with XLOGP3
)
5.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
Canonical SMILES
[NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1n1nc(c(c1C)Cl)C(=O)N(c1ccccc1)c1ccccc1
InChI String
InChI=1S/C34H30ClN5O2/c1-23-31(35)32(34(42)39(26-14-4-2-5-15-26)27-16-6-3-7-17-27)37-40(23)30-19-11-10-18-29(30)33(41)38-22-25-13-9-8-12-24(25)20-28(38)21-36/h2-19,28H,20-22,36H2,1H3/p+1/t28-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P10415
Entrez Gene ID
NCBI Entrez Gene ID:
596
ASD
Information of known allosteric effects of PDB entries
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