Browse entries in the PDBbind-CN Database
HEADER 3JZQ_COMPLEX COMPND 3JZQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 84 ASN GLN VAL ARG PRO LYS LEU PRO LEU LEU LYS ILE LEU SEQRES 2 A 84 HIS ALA ALA GLY ALA GLN GLY GLU MET PHE THR VAL LYS SEQRES 3 A 84 GLU VAL MET HIS TYR LEU GLY GLN TYR ILE MET VAL LYS SEQRES 4 A 84 GLN LEU TYR ASP GLN GLN GLU GLN HIS MET VAL TYR CYS SEQRES 5 A 84 GLY GLY ASP LEU LEU GLY GLU LEU LEU GLY ARG GLN SER SEQRES 6 A 84 PHE SER VAL LYS ASP PRO SER PRO LEU TYR ASP MET LEU SEQRES 7 A 84 ARG LYS ASN LEU VAL THR HET GLU A 154 209 ATOM 1 N ASN A 25 38.737 54.049 15.379 1.00 47.16 N ATOM 2 CA ASN A 25 39.624 52.878 15.062 1.00 46.28 C ATOM 3 C ASN A 25 38.986 51.508 15.338 1.00 45.62 C ATOM 4 O ASN A 25 39.386 50.507 14.733 1.00 45.68 O ATOM 5 CB ASN A 25 40.937 52.999 15.842 1.00 48.50 C ATOM 6 CG ASN A 25 41.651 54.322 15.575 1.00 50.21 C ATOM 7 OD1 ASN A 25 42.036 54.625 14.432 1.00 49.56 O ATOM 8 ND2 ASN A 25 41.820 55.122 16.629 1.00 51.07 N ATOM 9 HA ASN A 25 39.801 52.918 13.987 1.00 0.00 H ATOM 10 HB2 ASN A 25 40.720 52.927 16.908 1.00 0.00 H ATOM 11 HB3 ASN A 25 41.595 52.180 15.550 1.00 0.00 H ATOM 12 HD22 ASN A 25 41.481 54.826 17.566 1.00 0.00 H ATOM 13 HD21 ASN A 25 42.291 56.042 16.513 1.00 0.00 H ATOM 14 HN3 ASN A 25 38.485 54.028 16.388 1.00 0.00 H ATOM 15 HN2 ASN A 25 37.873 53.994 14.803 1.00 0.00 H ATOM 16 HN1 ASN A 25 39.242 54.933 15.165 1.00 0.00 H ATOM 17 N GLN A 26 38.012 51.459 16.250 1.00 42.80 N ATOM 18 CA GLN A 26 37.320 50.209 16.580 1.00 40.72 C ATOM 19 C GLN A 26 35.893 50.421 17.076 1.00 38.65 C ATOM 20 O GLN A 26 35.488 51.522 17.446 1.00 37.46 O ATOM 21 CB GLN A 26 38.080 49.404 17.637 1.00 41.29 C ATOM 22 CG GLN A 26 39.259 48.589 17.121 1.00 41.57 C ATOM 23 CD GLN A 26 39.908 47.799 18.244 1.00 42.34 C ATOM 24 OE1 GLN A 26 40.387 48.381 19.214 1.00 42.30 O ATOM 25 NE2 GLN A 26 39.902 46.477 18.133 1.00 42.46 N ATOM 26 HA GLN A 26 37.281 49.656 15.641 1.00 0.00 H ATOM 27 HB2 GLN A 26 38.456 50.102 18.385 1.00 0.00 H ATOM 28 HB3 GLN A 26 37.376 48.716 18.106 1.00 0.00 H ATOM 29 HG2 GLN A 26 38.907 47.897 16.356 1.00 0.00 H ATOM 30 HG3 GLN A 26 39.997 49.264 16.687 1.00 0.00 H ATOM 31 HE22 GLN A 26 39.485 46.028 17.293 1.00 0.00 H ATOM 32 HE21 GLN A 26 40.314 45.890 18.886 1.00 0.00 H ATOM 33 H GLN A 26 37.736 52.333 16.741 1.00 0.00 H ATOM 34 N VAL A 27 35.135 49.337 17.074 1.00 36.29 N ATOM 35 CA VAL A 27 33.757 49.377 17.519 1.00 34.08 C ATOM 36 C VAL A 27 33.557 48.222 18.459 1.00 33.31 C ATOM 37 O VAL A 27 34.340 47.254 18.468 1.00 31.56 O ATOM 38 CB VAL A 27 32.761 49.221 16.342 1.00 33.30 C ATOM 39 CG1 VAL A 27 32.782 50.480 15.464 1.00 33.04 C ATOM 40 CG2 VAL A 27 33.126 47.990 15.517 1.00 33.86 C ATOM 41 HA VAL A 27 33.569 50.340 17.993 1.00 0.00 H ATOM 42 HB VAL A 27 31.754 49.093 16.739 1.00 0.00 H ATOM 43 HG11 VAL A 27 32.496 51.344 16.064 1.00 0.00 H ATOM 44 HG12 VAL A 27 33.786 50.628 15.067 1.00 0.00 H ATOM 45 HG13 VAL A 27 32.078 50.359 14.640 1.00 0.00 H ATOM 46 HG21 VAL A 27 34.136 48.105 15.123 1.00 0.00 H ATOM 47 HG22 VAL A 27 33.080 47.104 16.150 1.00 0.00 H ATOM 48 HG23 VAL A 27 32.422 47.886 14.691 1.00 0.00 H ATOM 49 H VAL A 27 35.537 48.436 16.746 1.00 0.00 H ATOM 50 N ARG A 28 32.496 48.338 19.245 1.00 33.23 N ATOM 51 CA ARG A 28 32.117 47.323 20.204 1.00 34.42 C ATOM 52 C ARG A 28 30.773 46.739 19.781 1.00 32.65 C ATOM 53 O ARG A 28 29.785 47.466 19.673 1.00 31.40 O ATOM 54 CB ARG A 28 31.975 47.953 21.595 1.00 37.93 C ATOM 55 CG ARG A 28 31.816 46.952 22.718 1.00 44.47 C ATOM 56 CD ARG A 28 31.336 47.632 24.017 1.00 49.12 C ATOM 57 NE ARG A 28 29.995 48.232 23.913 1.00 53.37 N ATOM 58 CZ ARG A 28 28.848 47.545 23.860 1.00 56.05 C ATOM 59 NH1 ARG A 28 28.860 46.220 23.896 1.00 56.60 N ATOM 60 NH2 ARG A 28 27.677 48.182 23.788 1.00 56.86 N ATOM 61 HA ARG A 28 32.878 46.543 20.239 1.00 0.00 H ATOM 62 HB2 ARG A 28 32.866 48.550 21.793 1.00 0.00 H ATOM 63 HB3 ARG A 28 31.099 48.601 21.589 1.00 0.00 H ATOM 64 HG2 ARG A 28 31.086 46.199 22.421 1.00 0.00 H ATOM 65 HG3 ARG A 28 32.777 46.471 22.903 1.00 0.00 H ATOM 66 HD2 ARG A 28 32.045 48.418 24.276 1.00 0.00 H ATOM 67 HD3 ARG A 28 31.318 46.885 24.810 1.00 0.00 H ATOM 68 HE ARG A 28 29.935 49.270 23.878 1.00 0.00 H ATOM 69 HH12 ARG A 28 27.966 45.691 23.855 1.00 0.00 H ATOM 70 HH11 ARG A 28 29.764 45.710 23.966 1.00 0.00 H ATOM 71 HH22 ARG A 28 26.791 47.639 23.747 1.00 0.00 H ATOM 72 HH21 ARG A 28 27.651 49.222 23.773 1.00 0.00 H ATOM 73 H ARG A 28 31.911 49.195 19.169 1.00 0.00 H ATOM 74 N PRO A 29 30.725 45.426 19.502 1.00 32.33 N ATOM 75 CA PRO A 29 29.446 44.823 19.104 1.00 31.22 C ATOM 76 C PRO A 29 28.557 44.559 20.313 1.00 30.94 C ATOM 77 O PRO A 29 29.051 44.146 21.364 1.00 32.05 O ATOM 78 CB PRO A 29 29.856 43.529 18.430 1.00 30.92 C ATOM 79 CG PRO A 29 31.160 43.178 19.109 1.00 35.53 C ATOM 80 CD PRO A 29 31.856 44.490 19.334 1.00 33.09 C ATOM 81 HA PRO A 29 28.860 45.471 18.453 1.00 0.00 H ATOM 82 HD3 PRO A 29 32.478 44.458 20.229 1.00 0.00 H ATOM 83 HD2 PRO A 29 32.470 44.763 18.476 1.00 0.00 H ATOM 84 HG3 PRO A 29 31.761 42.531 18.470 1.00 0.00 H ATOM 85 HG2 PRO A 29 30.973 42.677 20.059 1.00 0.00 H ATOM 86 HB2 PRO A 29 29.110 42.751 18.592 1.00 0.00 H ATOM 87 HB3 PRO A 29 30.000 43.675 17.360 1.00 0.00 H ATOM 88 N LYS A 30 27.265 44.836 20.196 1.00 29.25 N ATOM 89 CA LYS A 30 26.334 44.525 21.285 1.00 29.70 C ATOM 90 C LYS A 30 26.297 43.007 21.403 1.00 27.37 C ATOM 91 O LYS A 30 26.508 42.294 20.427 1.00 26.06 O ATOM 92 CB LYS A 30 24.936 45.060 20.982 1.00 29.17 C ATOM 93 CG LYS A 30 24.858 46.552 20.985 1.00 30.11 C ATOM 94 CD LYS A 30 23.421 46.999 20.849 1.00 32.43 C ATOM 95 CE LYS A 30 23.350 48.510 20.848 1.00 33.68 C ATOM 96 NZ LYS A 30 21.961 49.010 20.614 1.00 35.45 N ATOM 97 HA LYS A 30 26.662 44.992 22.214 1.00 0.00 H ATOM 98 HB2 LYS A 30 24.634 44.700 19.999 1.00 0.00 H ATOM 99 HB3 LYS A 30 24.248 44.676 21.735 1.00 0.00 H ATOM 100 HG2 LYS A 30 25.267 46.932 21.921 1.00 0.00 H ATOM 101 HG3 LYS A 30 25.438 46.945 20.150 1.00 0.00 H ATOM 102 HD2 LYS A 30 23.010 46.617 19.914 1.00 0.00 H ATOM 103 HD3 LYS A 30 22.840 46.610 21.686 1.00 0.00 H ATOM 104 HE2 LYS A 30 23.998 48.892 20.059 1.00 0.00 H ATOM 105 HE3 LYS A 30 23.698 48.879 21.813 1.00 0.00 H ATOM 106 HZ1 LYS A 30 21.622 48.670 19.692 1.00 0.00 H ATOM 107 HZ2 LYS A 30 21.336 48.657 21.366 1.00 0.00 H ATOM 108 HZ3 LYS A 30 21.962 50.050 20.622 1.00 0.00 H ATOM 109 H LYS A 30 26.909 45.278 19.324 1.00 0.00 H ATOM 110 N LEU A 31 25.989 42.508 22.595 1.00 29.52 N ATOM 111 CA LEU A 31 26.001 41.064 22.884 1.00 28.53 C ATOM 112 C LEU A 31 25.497 40.068 21.858 1.00 27.52 C ATOM 113 O LEU A 31 26.179 39.070 21.539 1.00 27.47 O ATOM 114 CB LEU A 31 25.291 40.819 24.223 1.00 30.29 C ATOM 115 CG LEU A 31 25.256 39.385 24.748 1.00 32.85 C ATOM 116 CD1 LEU A 31 26.655 38.806 24.853 1.00 31.13 C ATOM 117 CD2 LEU A 31 24.552 39.395 26.120 1.00 29.96 C ATOM 118 HA LEU A 31 27.069 40.846 22.885 1.00 0.00 H ATOM 119 HB2 LEU A 31 25.790 41.431 24.975 1.00 0.00 H ATOM 120 HB3 LEU A 31 24.259 41.152 24.112 1.00 0.00 H ATOM 121 HG LEU A 31 24.706 38.749 24.054 1.00 0.00 H ATOM 122 HD21 LEU A 31 25.107 40.034 26.807 1.00 0.00 H ATOM 123 HD22 LEU A 31 23.538 39.778 26.004 1.00 0.00 H ATOM 124 HD23 LEU A 31 24.515 38.380 26.515 1.00 0.00 H ATOM 125 HD11 LEU A 31 27.122 38.805 23.868 1.00 0.00 H ATOM 126 HD12 LEU A 31 27.248 39.413 25.537 1.00 0.00 H ATOM 127 HD13 LEU A 31 26.597 37.785 25.229 1.00 0.00 H ATOM 128 H LEU A 31 25.728 43.166 23.357 1.00 0.00 H ATOM 129 N PRO A 32 24.301 40.311 21.309 1.00 27.55 N ATOM 130 CA PRO A 32 23.734 39.402 20.316 1.00 27.88 C ATOM 131 C PRO A 32 24.686 39.198 19.140 1.00 26.30 C ATOM 132 O PRO A 32 24.854 38.063 18.661 1.00 26.72 O ATOM 133 CB PRO A 32 22.433 40.108 19.904 1.00 28.44 C ATOM 134 CG PRO A 32 22.098 40.900 21.091 1.00 28.28 C ATOM 135 CD PRO A 32 23.401 41.450 21.543 1.00 27.12 C ATOM 136 HA PRO A 32 23.559 38.396 20.697 1.00 0.00 H ATOM 137 HD3 PRO A 32 23.694 42.317 20.951 1.00 0.00 H ATOM 138 HD2 PRO A 32 23.373 41.725 22.597 1.00 0.00 H ATOM 139 HG3 PRO A 32 21.655 40.271 21.863 1.00 0.00 H ATOM 140 HG2 PRO A 32 21.406 41.703 20.837 1.00 0.00 H ATOM 141 HB2 PRO A 32 22.592 40.749 19.037 1.00 0.00 H ATOM 142 HB3 PRO A 32 21.648 39.385 19.681 1.00 0.00 H ATOM 143 N LEU A 33 25.323 40.285 18.689 1.00 24.55 N ATOM 144 CA LEU A 33 26.244 40.184 17.560 1.00 24.32 C ATOM 145 C LEU A 33 27.601 39.618 17.964 1.00 24.14 C ATOM 146 O LEU A 33 28.252 38.865 17.220 1.00 24.69 O ATOM 147 CB LEU A 33 26.399 41.551 16.894 1.00 23.66 C ATOM 148 CG LEU A 33 27.389 41.653 15.717 1.00 20.84 C ATOM 149 CD1 LEU A 33 26.930 40.709 14.593 1.00 21.14 C ATOM 150 CD2 LEU A 33 27.444 43.152 15.238 1.00 22.44 C ATOM 151 HA LEU A 33 25.816 39.481 16.845 1.00 0.00 H ATOM 152 HB2 LEU A 33 25.418 41.849 16.524 1.00 0.00 H ATOM 153 HB3 LEU A 33 26.726 42.254 17.660 1.00 0.00 H ATOM 154 HG LEU A 33 28.392 41.352 16.018 1.00 0.00 H ATOM 155 HD21 LEU A 33 26.451 43.466 14.917 1.00 0.00 H ATOM 156 HD22 LEU A 33 27.778 43.783 16.061 1.00 0.00 H ATOM 157 HD23 LEU A 33 28.141 43.240 14.405 1.00 0.00 H ATOM 158 HD11 LEU A 33 26.907 39.685 14.967 1.00 0.00 H ATOM 159 HD12 LEU A 33 25.933 40.999 14.261 1.00 0.00 H ATOM 160 HD13 LEU A 33 27.626 40.776 13.757 1.00 0.00 H ATOM 161 H LEU A 33 25.161 41.206 19.145 1.00 0.00 H ATOM 162 N LEU A 34 28.042 39.971 19.157 1.00 23.13 N ATOM 163 CA LEU A 34 29.325 39.469 19.642 1.00 25.49 C ATOM 164 C LEU A 34 29.276 37.933 19.745 1.00 24.51 C ATOM 165 O LEU A 34 30.244 37.257 19.409 1.00 27.59 O ATOM 166 CB LEU A 34 29.614 40.100 21.002 1.00 26.48 C ATOM 167 CG LEU A 34 30.922 39.789 21.743 1.00 27.71 C ATOM 168 CD1 LEU A 34 32.090 40.273 20.938 1.00 27.22 C ATOM 169 CD2 LEU A 34 30.882 40.484 23.134 1.00 26.88 C ATOM 170 HA LEU A 34 30.123 39.735 18.949 1.00 0.00 H ATOM 171 HB2 LEU A 34 29.586 41.180 20.858 1.00 0.00 H ATOM 172 HB3 LEU A 34 28.801 39.802 21.664 1.00 0.00 H ATOM 173 HG LEU A 34 31.031 38.713 21.882 1.00 0.00 H ATOM 174 HD21 LEU A 34 30.779 41.561 22.998 1.00 0.00 H ATOM 175 HD22 LEU A 34 30.033 40.106 23.704 1.00 0.00 H ATOM 176 HD23 LEU A 34 31.806 40.271 23.672 1.00 0.00 H ATOM 177 HD11 LEU A 34 32.096 39.771 19.970 1.00 0.00 H ATOM 178 HD12 LEU A 34 32.006 41.350 20.790 1.00 0.00 H ATOM 179 HD13 LEU A 34 33.014 40.049 21.470 1.00 0.00 H ATOM 180 H LEU A 34 27.475 40.608 19.753 1.00 0.00 H ATOM 181 N LYS A 35 28.139 37.364 20.158 1.00 25.97 N ATOM 182 CA LYS A 35 28.064 35.908 20.270 1.00 25.98 C ATOM 183 C LYS A 35 28.224 35.247 18.909 1.00 27.86 C ATOM 184 O LYS A 35 28.906 34.211 18.763 1.00 26.21 O ATOM 185 CB LYS A 35 26.752 35.490 20.900 1.00 28.03 C ATOM 186 CG LYS A 35 26.671 35.910 22.339 1.00 29.46 C ATOM 187 CD LYS A 35 25.353 35.521 22.932 1.00 31.26 C ATOM 188 CE LYS A 35 25.319 35.780 24.439 1.00 31.84 C ATOM 189 NZ LYS A 35 23.932 35.563 24.938 1.00 34.14 N ATOM 190 HA LYS A 35 28.883 35.579 20.910 1.00 0.00 H ATOM 191 HB2 LYS A 35 25.932 35.952 20.350 1.00 0.00 H ATOM 192 HB3 LYS A 35 26.661 34.405 20.842 1.00 0.00 H ATOM 193 HG2 LYS A 35 27.472 35.426 22.898 1.00 0.00 H ATOM 194 HG3 LYS A 35 26.787 36.992 22.403 1.00 0.00 H ATOM 195 HD2 LYS A 35 24.564 36.102 22.454 1.00 0.00 H ATOM 196 HD3 LYS A 35 25.182 34.460 22.751 1.00 0.00 H ATOM 197 HE2 LYS A 35 25.624 36.807 24.640 1.00 0.00 H ATOM 198 HE3 LYS A 35 26.000 35.095 24.943 1.00 0.00 H ATOM 199 HZ1 LYS A 35 23.285 36.218 24.455 1.00 0.00 H ATOM 200 HZ2 LYS A 35 23.644 34.583 24.744 1.00 0.00 H ATOM 201 HZ3 LYS A 35 23.902 35.738 25.963 1.00 0.00 H ATOM 202 H LYS A 35 27.315 37.952 20.398 1.00 0.00 H ATOM 203 N ILE A 36 27.613 35.860 17.902 1.00 24.18 N ATOM 204 CA ILE A 36 27.740 35.327 16.559 1.00 25.30 C ATOM 205 C ILE A 36 29.198 35.404 16.084 1.00 25.62 C ATOM 206 O ILE A 36 29.725 34.434 15.503 1.00 25.09 O ATOM 207 CB ILE A 36 26.789 36.095 15.594 1.00 26.27 C ATOM 208 CG1 ILE A 36 25.343 35.656 15.865 1.00 26.19 C ATOM 209 CG2 ILE A 36 27.162 35.810 14.144 1.00 25.22 C ATOM 210 CD1 ILE A 36 24.277 36.493 15.188 1.00 26.11 C ATOM 211 HA ILE A 36 27.450 34.276 16.563 1.00 0.00 H ATOM 212 HB ILE A 36 26.885 37.167 15.766 1.00 0.00 H ATOM 213 HG12 ILE A 36 25.233 34.627 15.522 1.00 0.00 H ATOM 214 HG13 ILE A 36 25.173 35.699 16.941 1.00 0.00 H ATOM 215 HD11 ILE A 36 24.357 37.526 15.528 1.00 0.00 H ATOM 216 HD12 ILE A 36 24.417 36.453 14.108 1.00 0.00 H ATOM 217 HD13 ILE A 36 23.293 36.101 15.443 1.00 0.00 H ATOM 218 HG21 ILE A 36 28.188 36.132 13.964 1.00 0.00 H ATOM 219 HG22 ILE A 36 27.077 34.741 13.952 1.00 0.00 H ATOM 220 HG23 ILE A 36 26.488 36.354 13.483 1.00 0.00 H ATOM 221 H ILE A 36 27.048 36.716 18.075 1.00 0.00 H ATOM 222 N LEU A 37 29.869 36.524 16.361 1.00 25.29 N ATOM 223 CA LEU A 37 31.254 36.681 15.931 1.00 25.59 C ATOM 224 C LEU A 37 32.163 35.681 16.646 1.00 26.84 C ATOM 225 O LEU A 37 33.050 35.073 16.029 1.00 27.33 O ATOM 226 CB LEU A 37 31.732 38.112 16.184 1.00 25.65 C ATOM 227 CG LEU A 37 30.942 39.253 15.504 1.00 24.42 C ATOM 228 CD1 LEU A 37 31.516 40.594 15.982 1.00 25.81 C ATOM 229 CD2 LEU A 37 30.998 39.146 13.980 1.00 26.36 C ATOM 230 HA LEU A 37 31.303 36.481 14.861 1.00 0.00 H ATOM 231 HB2 LEU A 37 31.696 38.284 17.260 1.00 0.00 H ATOM 232 HB3 LEU A 37 32.764 38.178 15.841 1.00 0.00 H ATOM 233 HG LEU A 37 29.891 39.179 15.784 1.00 0.00 H ATOM 234 HD21 LEU A 37 32.036 39.202 13.651 1.00 0.00 H ATOM 235 HD22 LEU A 37 30.567 38.195 13.668 1.00 0.00 H ATOM 236 HD23 LEU A 37 30.431 39.966 13.538 1.00 0.00 H ATOM 237 HD11 LEU A 37 31.416 40.665 17.065 1.00 0.00 H ATOM 238 HD12 LEU A 37 32.569 40.655 15.708 1.00 0.00 H ATOM 239 HD13 LEU A 37 30.969 41.411 15.511 1.00 0.00 H ATOM 240 H LEU A 37 29.401 37.290 16.887 1.00 0.00 H ATOM 241 N HIS A 38 31.946 35.508 17.942 1.00 26.84 N ATOM 242 CA HIS A 38 32.735 34.540 18.708 1.00 29.62 C ATOM 243 C HIS A 38 32.580 33.128 18.140 1.00 30.54 C ATOM 244 O HIS A 38 33.551 32.374 18.073 1.00 32.07 O ATOM 245 CB HIS A 38 32.285 34.526 20.169 1.00 30.14 C ATOM 246 CG HIS A 38 32.789 35.675 20.978 1.00 32.76 C ATOM 247 ND1 HIS A 38 32.230 36.026 22.191 1.00 32.37 N ATOM 248 CD2 HIS A 38 33.846 36.504 20.795 1.00 34.02 C ATOM 249 CE1 HIS A 38 32.923 37.020 22.720 1.00 34.30 C ATOM 250 NE2 HIS A 38 33.909 37.329 21.897 1.00 33.72 N ATOM 251 HA HIS A 38 33.780 34.843 18.639 1.00 0.00 H ATOM 252 HB2 HIS A 38 31.195 34.544 20.191 1.00 0.00 H ATOM 253 HB3 HIS A 38 32.641 33.603 20.627 1.00 0.00 H ATOM 254 HD2 HIS A 38 34.519 36.516 19.938 1.00 0.00 H ATOM 255 HE1 HIS A 38 32.716 37.503 23.675 1.00 0.00 H ATOM 256 H HIS A 38 31.209 36.065 18.420 1.00 0.00 H ATOM 257 N ALA A 39 31.365 32.769 17.750 1.00 30.67 N ATOM 258 CA ALA A 39 31.097 31.439 17.215 1.00 33.30 C ATOM 259 C ALA A 39 31.819 31.236 15.885 1.00 34.91 C ATOM 260 O ALA A 39 31.984 30.100 15.442 1.00 35.56 O ATOM 261 CB ALA A 39 29.594 31.229 17.043 1.00 32.36 C ATOM 262 HA ALA A 39 31.473 30.702 17.924 1.00 0.00 H ATOM 263 HB1 ALA A 39 29.101 31.330 18.010 1.00 0.00 H ATOM 264 HB2 ALA A 39 29.201 31.976 16.354 1.00 0.00 H ATOM 265 HB3 ALA A 39 29.411 30.232 16.643 1.00 0.00 H ATOM 266 H ALA A 39 30.584 33.452 17.827 1.00 0.00 H ATOM 267 N ALA A 40 32.268 32.334 15.267 1.00 34.62 N ATOM 268 CA ALA A 40 32.986 32.258 14.004 1.00 36.19 C ATOM 269 C ALA A 40 34.494 32.293 14.269 1.00 37.08 C ATOM 270 O ALA A 40 35.289 32.268 13.332 1.00 36.41 O ATOM 271 CB ALA A 40 32.588 33.405 13.101 1.00 36.09 C ATOM 272 HA ALA A 40 32.730 31.323 13.505 1.00 0.00 H ATOM 273 HB1 ALA A 40 31.517 33.356 12.905 1.00 0.00 H ATOM 274 HB2 ALA A 40 32.827 34.350 13.589 1.00 0.00 H ATOM 275 HB3 ALA A 40 33.135 33.332 12.161 1.00 0.00 H ATOM 276 H ALA A 40 32.100 33.265 15.700 1.00 0.00 H ATOM 277 N GLY A 41 34.866 32.378 15.547 1.00 37.43 N ATOM 278 CA GLY A 41 36.273 32.381 15.927 1.00 39.23 C ATOM 279 C GLY A 41 36.867 33.687 16.421 1.00 40.06 C ATOM 280 O GLY A 41 38.079 33.773 16.662 1.00 40.86 O ATOM 281 HA3 GLY A 41 36.847 32.072 15.054 1.00 0.00 H ATOM 282 HA2 GLY A 41 36.398 31.645 16.721 1.00 0.00 H ATOM 283 H GLY A 41 34.138 32.443 16.287 1.00 0.00 H ATOM 284 N ALA A 42 36.030 34.713 16.567 1.00 40.31 N ATOM 285 CA ALA A 42 36.484 36.017 17.012 1.00 39.68 C ATOM 286 C ALA A 42 36.881 35.966 18.468 1.00 40.59 C ATOM 287 O ALA A 42 36.228 35.312 19.275 1.00 41.07 O ATOM 288 CB ALA A 42 35.374 37.051 16.828 1.00 38.54 C ATOM 289 HA ALA A 42 37.349 36.302 16.414 1.00 0.00 H ATOM 290 HB1 ALA A 42 35.102 37.107 15.774 1.00 0.00 H ATOM 291 HB2 ALA A 42 34.503 36.756 17.414 1.00 0.00 H ATOM 292 HB3 ALA A 42 35.727 38.025 17.166 1.00 0.00 H ATOM 293 H ALA A 42 35.021 34.575 16.356 1.00 0.00 H ATOM 294 N GLN A 43 37.935 36.691 18.807 1.00 41.46 N ATOM 295 CA GLN A 43 38.403 36.743 20.185 1.00 43.29 C ATOM 296 C GLN A 43 38.385 38.179 20.640 1.00 42.69 C ATOM 297 O GLN A 43 38.766 39.063 19.885 1.00 42.89 O ATOM 298 CB GLN A 43 39.820 36.192 20.281 1.00 44.49 C ATOM 299 CG GLN A 43 39.893 34.701 20.001 1.00 47.50 C ATOM 300 CD GLN A 43 41.309 34.227 19.708 1.00 49.72 C ATOM 301 OE1 GLN A 43 41.868 34.494 18.635 1.00 51.11 O ATOM 302 NE2 GLN A 43 41.900 33.520 20.665 1.00 50.43 N ATOM 303 HA GLN A 43 37.753 36.138 20.818 1.00 0.00 H ATOM 304 HB2 GLN A 43 40.446 36.713 19.557 1.00 0.00 H ATOM 305 HB3 GLN A 43 40.198 36.377 21.286 1.00 0.00 H ATOM 306 HG2 GLN A 43 39.518 34.164 20.872 1.00 0.00 H ATOM 307 HG3 GLN A 43 39.265 34.477 19.139 1.00 0.00 H ATOM 308 HE22 GLN A 43 41.394 33.319 21.551 1.00 0.00 H ATOM 309 HE21 GLN A 43 42.869 33.168 20.528 1.00 0.00 H ATOM 310 H GLN A 43 38.438 37.233 18.076 1.00 0.00 H ATOM 311 N GLY A 44 37.929 38.415 21.864 1.00 42.77 N ATOM 312 CA GLY A 44 37.898 39.779 22.364 1.00 42.56 C ATOM 313 C GLY A 44 36.521 40.410 22.240 1.00 42.05 C ATOM 314 O GLY A 44 35.528 39.700 22.011 1.00 40.92 O ATOM 315 HA3 GLY A 44 38.610 40.377 21.795 1.00 0.00 H ATOM 316 HA2 GLY A 44 38.188 39.774 23.415 1.00 0.00 H ATOM 317 H GLY A 44 37.597 37.630 22.460 1.00 0.00 H ATOM 318 N GLU A 45 36.466 41.738 22.367 1.00 40.86 N ATOM 319 CA GLU A 45 35.207 42.481 22.296 1.00 40.89 C ATOM 320 C GLU A 45 35.310 43.785 21.513 1.00 40.47 C ATOM 321 O GLU A 45 34.301 44.469 21.327 1.00 40.21 O ATOM 322 CB GLU A 45 34.729 42.816 23.706 1.00 41.56 C ATOM 323 CG GLU A 45 35.640 43.807 24.369 1.00 41.57 C ATOM 324 CD GLU A 45 35.231 44.106 25.781 1.00 42.34 C ATOM 325 OE1 GLU A 45 35.167 43.138 26.570 1.00 42.09 O ATOM 326 OE2 GLU A 45 34.980 45.295 26.083 1.00 41.39 O ATOM 327 HA GLU A 45 34.505 41.833 21.772 1.00 0.00 H ATOM 328 HB2 GLU A 45 33.725 43.238 23.650 1.00 0.00 H ATOM 329 HB3 GLU A 45 34.705 41.902 24.300 1.00 0.00 H ATOM 330 HG2 GLU A 45 36.652 43.402 24.376 1.00 0.00 H ATOM 331 HG3 GLU A 45 35.625 44.734 23.796 1.00 0.00 H ATOM 332 H GLU A 45 37.350 42.264 22.522 1.00 0.00 H ATOM 333 N MET A 46 36.525 44.154 21.109 1.00 40.20 N ATOM 334 CA MET A 46 36.774 45.370 20.318 1.00 40.46 C ATOM 335 C MET A 46 37.307 44.888 18.970 1.00 38.61 C ATOM 336 O MET A 46 38.212 44.064 18.921 1.00 36.77 O ATOM 337 CB MET A 46 37.834 46.270 20.957 1.00 42.60 C ATOM 338 CG MET A 46 37.511 46.792 22.344 1.00 47.68 C ATOM 339 SD MET A 46 38.696 48.090 22.837 1.00 52.23 S ATOM 340 CE MET A 46 40.221 47.058 23.080 1.00 51.87 C ATOM 341 HA MET A 46 35.856 45.953 20.242 1.00 0.00 H ATOM 342 HB2 MET A 46 38.761 45.700 21.022 1.00 0.00 H ATOM 343 HB3 MET A 46 37.982 47.129 20.303 1.00 0.00 H ATOM 344 HG2 MET A 46 37.563 45.970 23.057 1.00 0.00 H ATOM 345 HG3 MET A 46 36.504 47.208 22.344 1.00 0.00 H ATOM 346 HE1 MET A 46 40.034 46.312 23.852 1.00 0.00 H ATOM 347 HE2 MET A 46 40.473 46.559 22.144 1.00 0.00 H ATOM 348 HE3 MET A 46 41.047 47.700 23.386 1.00 0.00 H ATOM 349 H MET A 46 37.336 43.555 21.365 1.00 0.00 H ATOM 350 N PHE A 47 36.750 45.416 17.883 1.00 37.51 N ATOM 351 CA PHE A 47 37.146 44.995 16.551 1.00 36.00 C ATOM 352 C PHE A 47 37.089 46.188 15.611 1.00 35.69 C ATOM 353 O PHE A 47 36.503 47.216 15.946 1.00 35.31 O ATOM 354 CB PHE A 47 36.161 43.922 16.043 1.00 35.98 C ATOM 355 CG PHE A 47 36.076 42.695 16.914 1.00 35.24 C ATOM 356 CD1 PHE A 47 36.958 41.620 16.719 1.00 35.26 C ATOM 357 CD2 PHE A 47 35.125 42.615 17.930 1.00 33.54 C ATOM 358 CE1 PHE A 47 36.885 40.476 17.533 1.00 35.80 C ATOM 359 CE2 PHE A 47 35.042 41.492 18.743 1.00 34.50 C ATOM 360 CZ PHE A 47 35.922 40.415 18.547 1.00 35.45 C ATOM 361 HA PHE A 47 38.158 44.591 16.583 1.00 0.00 H ATOM 362 HB2 PHE A 47 35.169 44.369 15.985 1.00 0.00 H ATOM 363 HB3 PHE A 47 36.477 43.612 15.047 1.00 0.00 H ATOM 364 HD2 PHE A 47 34.437 43.445 18.089 1.00 0.00 H ATOM 365 HE2 PHE A 47 34.293 41.446 19.534 1.00 0.00 H ATOM 366 HZ PHE A 47 35.855 39.533 19.184 1.00 0.00 H ATOM 367 HE1 PHE A 47 37.572 39.644 17.376 1.00 0.00 H ATOM 368 HD1 PHE A 47 37.707 41.673 15.929 1.00 0.00 H ATOM 369 H PHE A 47 36.016 46.145 17.990 1.00 0.00 H ATOM 370 N THR A 48 37.721 46.050 14.446 1.00 34.70 N ATOM 371 CA THR A 48 37.674 47.072 13.412 1.00 34.57 C ATOM 372 C THR A 48 36.429 46.682 12.587 1.00 35.40 C ATOM 373 O THR A 48 35.857 45.608 12.804 1.00 34.26 O ATOM 374 CB THR A 48 38.893 46.989 12.463 1.00 35.70 C ATOM 375 OG1 THR A 48 38.881 45.710 11.802 1.00 33.29 O ATOM 376 CG2 THR A 48 40.214 47.177 13.249 1.00 35.17 C ATOM 377 HA THR A 48 37.660 48.072 13.845 1.00 0.00 H ATOM 378 HB THR A 48 38.830 47.787 11.723 1.00 0.00 H ATOM 379 HG1 THR A 48 39.658 45.648 11.192 1.00 0.00 H ATOM 380 HG23 THR A 48 40.206 48.149 13.743 1.00 0.00 H ATOM 381 HG21 THR A 48 40.306 46.389 13.997 1.00 0.00 H ATOM 382 HG22 THR A 48 41.056 47.125 12.559 1.00 0.00 H ATOM 383 H THR A 48 38.266 45.182 14.270 1.00 0.00 H ATOM 384 N VAL A 49 36.027 47.542 11.647 1.00 35.91 N ATOM 385 CA VAL A 49 34.864 47.280 10.803 1.00 36.52 C ATOM 386 C VAL A 49 35.104 46.011 9.971 1.00 35.88 C ATOM 387 O VAL A 49 34.287 45.082 9.932 1.00 36.19 O ATOM 388 CB VAL A 49 34.604 48.461 9.825 1.00 37.01 C ATOM 389 CG1 VAL A 49 33.288 48.247 9.084 1.00 38.00 C ATOM 390 CG2 VAL A 49 34.584 49.783 10.569 1.00 39.33 C ATOM 391 HA VAL A 49 34.000 47.156 11.455 1.00 0.00 H ATOM 392 HB VAL A 49 35.416 48.493 9.099 1.00 0.00 H ATOM 393 HG11 VAL A 49 33.338 47.317 8.518 1.00 0.00 H ATOM 394 HG12 VAL A 49 32.472 48.192 9.804 1.00 0.00 H ATOM 395 HG13 VAL A 49 33.117 49.080 8.402 1.00 0.00 H ATOM 396 HG21 VAL A 49 33.792 49.765 11.318 1.00 0.00 H ATOM 397 HG22 VAL A 49 35.545 49.937 11.059 1.00 0.00 H ATOM 398 HG23 VAL A 49 34.400 50.593 9.863 1.00 0.00 H ATOM 399 H VAL A 49 36.559 48.426 11.512 1.00 0.00 H ATOM 400 N LYS A 50 36.234 45.984 9.292 1.00 35.84 N ATOM 401 CA LYS A 50 36.592 44.843 8.471 1.00 35.07 C ATOM 402 C LYS A 50 36.691 43.549 9.295 1.00 33.08 C ATOM 403 O LYS A 50 36.449 42.454 8.786 1.00 32.66 O ATOM 404 CB LYS A 50 37.931 45.093 7.758 1.00 37.43 C ATOM 405 CG LYS A 50 37.964 46.274 6.761 1.00 40.84 C ATOM 406 CD LYS A 50 36.737 46.349 5.868 1.00 43.32 C ATOM 407 CE LYS A 50 36.555 45.139 4.962 1.00 45.40 C ATOM 408 NZ LYS A 50 35.148 45.117 4.454 1.00 47.44 N ATOM 409 HA LYS A 50 35.798 44.719 7.735 1.00 0.00 H ATOM 410 HB2 LYS A 50 38.685 45.282 8.522 1.00 0.00 H ATOM 411 HB3 LYS A 50 38.190 44.187 7.210 1.00 0.00 H ATOM 412 HG2 LYS A 50 38.036 47.202 7.328 1.00 0.00 H ATOM 413 HG3 LYS A 50 38.845 46.167 6.128 1.00 0.00 H ATOM 414 HD2 LYS A 50 35.856 46.438 6.503 1.00 0.00 H ATOM 415 HD3 LYS A 50 36.823 47.237 5.241 1.00 0.00 H ATOM 416 HE2 LYS A 50 36.755 44.227 5.525 1.00 0.00 H ATOM 417 HE3 LYS A 50 37.246 45.204 4.122 1.00 0.00 H ATOM 418 HZ1 LYS A 50 34.491 45.055 5.258 1.00 0.00 H ATOM 419 HZ2 LYS A 50 34.961 45.988 3.918 1.00 0.00 H ATOM 420 HZ3 LYS A 50 35.017 44.292 3.834 1.00 0.00 H ATOM 421 H LYS A 50 36.881 46.796 9.346 1.00 0.00 H ATOM 422 N GLU A 51 37.058 43.672 10.561 1.00 31.23 N ATOM 423 CA GLU A 51 37.181 42.500 11.413 1.00 31.48 C ATOM 424 C GLU A 51 35.789 41.956 11.660 1.00 29.82 C ATOM 425 O GLU A 51 35.550 40.747 11.557 1.00 26.97 O ATOM 426 CB GLU A 51 37.839 42.888 12.731 1.00 34.05 C ATOM 427 CG GLU A 51 39.095 42.117 13.000 1.00 38.81 C ATOM 428 CD GLU A 51 39.944 42.761 14.064 1.00 42.19 C ATOM 429 OE1 GLU A 51 39.366 43.326 15.023 1.00 40.60 O ATOM 430 OE2 GLU A 51 41.195 42.685 13.947 1.00 44.73 O ATOM 431 HA GLU A 51 37.800 41.741 10.934 1.00 0.00 H ATOM 432 HB2 GLU A 51 38.081 43.950 12.700 1.00 0.00 H ATOM 433 HB3 GLU A 51 37.134 42.701 13.541 1.00 0.00 H ATOM 434 HG2 GLU A 51 38.827 41.112 13.326 1.00 0.00 H ATOM 435 HG3 GLU A 51 39.674 42.056 12.078 1.00 0.00 H ATOM 436 H GLU A 51 37.260 44.615 10.950 1.00 0.00 H ATOM 437 N VAL A 52 34.859 42.866 11.960 1.00 29.57 N ATOM 438 CA VAL A 52 33.489 42.453 12.189 1.00 28.94 C ATOM 439 C VAL A 52 32.985 41.768 10.940 1.00 28.48 C ATOM 440 O VAL A 52 32.422 40.677 11.026 1.00 26.15 O ATOM 441 CB VAL A 52 32.559 43.637 12.545 1.00 29.75 C ATOM 442 CG1 VAL A 52 31.115 43.156 12.631 1.00 29.43 C ATOM 443 CG2 VAL A 52 32.974 44.232 13.884 1.00 29.21 C ATOM 444 HA VAL A 52 33.477 41.777 13.044 1.00 0.00 H ATOM 445 HB VAL A 52 32.640 44.397 11.768 1.00 0.00 H ATOM 446 HG11 VAL A 52 30.815 42.739 11.670 1.00 0.00 H ATOM 447 HG12 VAL A 52 31.034 42.390 13.402 1.00 0.00 H ATOM 448 HG13 VAL A 52 30.468 43.996 12.882 1.00 0.00 H ATOM 449 HG21 VAL A 52 32.900 43.468 14.658 1.00 0.00 H ATOM 450 HG22 VAL A 52 34.003 44.587 13.819 1.00 0.00 H ATOM 451 HG23 VAL A 52 32.316 45.065 14.130 1.00 0.00 H ATOM 452 H VAL A 52 35.118 43.871 12.029 1.00 0.00 H ATOM 453 N MET A 53 33.223 42.381 9.780 1.00 26.68 N ATOM 454 CA MET A 53 32.758 41.806 8.519 1.00 28.03 C ATOM 455 C MET A 53 33.371 40.420 8.233 1.00 28.55 C ATOM 456 O MET A 53 32.691 39.511 7.769 1.00 27.30 O ATOM 457 CB MET A 53 33.063 42.754 7.355 1.00 27.36 C ATOM 458 CG MET A 53 32.416 44.126 7.473 1.00 30.70 C ATOM 459 SD MET A 53 30.627 44.019 7.462 1.00 32.94 S ATOM 460 CE MET A 53 30.297 43.926 5.698 1.00 32.26 C ATOM 461 HA MET A 53 31.681 41.672 8.616 1.00 0.00 H ATOM 462 HB2 MET A 53 34.143 42.890 7.300 1.00 0.00 H ATOM 463 HB3 MET A 53 32.710 42.289 6.435 1.00 0.00 H ATOM 464 HG2 MET A 53 32.738 44.742 6.634 1.00 0.00 H ATOM 465 HG3 MET A 53 32.737 44.589 8.406 1.00 0.00 H ATOM 466 HE1 MET A 53 30.682 44.821 5.210 1.00 0.00 H ATOM 467 HE2 MET A 53 30.788 43.045 5.284 1.00 0.00 H ATOM 468 HE3 MET A 53 29.222 43.855 5.534 1.00 0.00 H ATOM 469 H MET A 53 33.746 43.280 9.772 1.00 0.00 H ATOM 470 N HIS A 54 34.650 40.263 8.535 1.00 29.25 N ATOM 471 CA HIS A 54 35.336 39.004 8.300 1.00 29.66 C ATOM 472 C HIS A 54 34.697 37.836 9.083 1.00 30.49 C ATOM 473 O HIS A 54 34.375 36.784 8.522 1.00 27.48 O ATOM 474 CB HIS A 54 36.793 39.128 8.720 1.00 31.03 C ATOM 475 CG HIS A 54 37.495 37.810 8.821 1.00 32.49 C ATOM 476 ND1 HIS A 54 37.924 37.115 7.713 1.00 33.33 N ATOM 477 CD2 HIS A 54 37.758 37.021 9.890 1.00 33.72 C ATOM 478 CE1 HIS A 54 38.416 35.948 8.096 1.00 34.96 C ATOM 479 NE2 HIS A 54 38.326 35.864 9.410 1.00 33.26 N ATOM 480 HA HIS A 54 35.255 38.788 7.235 1.00 0.00 H ATOM 481 HB2 HIS A 54 37.314 39.742 7.985 1.00 0.00 H ATOM 482 HB3 HIS A 54 36.832 39.617 9.694 1.00 0.00 H ATOM 483 HD2 HIS A 54 37.557 37.258 10.935 1.00 0.00 H ATOM 484 HE1 HIS A 54 38.827 35.184 7.436 1.00 0.00 H ATOM 485 H HIS A 54 35.176 41.059 8.950 1.00 0.00 H ATOM 486 N TYR A 55 34.540 38.020 10.385 1.00 29.57 N ATOM 487 CA TYR A 55 33.967 36.957 11.191 1.00 30.87 C ATOM 488 C TYR A 55 32.512 36.684 10.861 1.00 29.73 C ATOM 489 O TYR A 55 32.033 35.530 10.946 1.00 31.24 O ATOM 490 CB TYR A 55 34.125 37.284 12.656 1.00 31.25 C ATOM 491 CG TYR A 55 35.536 37.129 13.113 1.00 34.81 C ATOM 492 CD1 TYR A 55 36.140 35.871 13.124 1.00 36.92 C ATOM 493 CD2 TYR A 55 36.280 38.234 13.540 1.00 35.67 C ATOM 494 CE1 TYR A 55 37.470 35.709 13.559 1.00 38.40 C ATOM 495 CE2 TYR A 55 37.603 38.088 13.985 1.00 39.00 C ATOM 496 CZ TYR A 55 38.185 36.819 13.992 1.00 40.85 C ATOM 497 OH TYR A 55 39.463 36.652 14.479 1.00 43.37 O ATOM 498 HA TYR A 55 34.513 36.044 10.956 1.00 0.00 H ATOM 499 HB3 TYR A 55 33.491 36.614 13.237 1.00 0.00 H ATOM 500 HB2 TYR A 55 33.812 38.315 12.823 1.00 0.00 H ATOM 501 HD2 TYR A 55 35.825 39.224 13.527 1.00 0.00 H ATOM 502 HE2 TYR A 55 38.170 38.956 14.322 1.00 0.00 H ATOM 503 HE1 TYR A 55 37.934 34.723 13.556 1.00 0.00 H ATOM 504 HD1 TYR A 55 35.574 35.001 12.791 1.00 0.00 H ATOM 505 HH TYR A 55 39.493 36.936 15.427 1.00 0.00 H ATOM 506 H TYR A 55 34.825 38.918 10.826 1.00 0.00 H ATOM 507 N LEU A 56 31.791 37.732 10.468 1.00 28.17 N ATOM 508 CA LEU A 56 30.387 37.561 10.096 1.00 26.70 C ATOM 509 C LEU A 56 30.301 36.698 8.818 1.00 26.42 C ATOM 510 O LEU A 56 29.429 35.837 8.694 1.00 25.29 O ATOM 511 CB LEU A 56 29.731 38.946 9.899 1.00 27.47 C ATOM 512 CG LEU A 56 28.216 38.975 10.051 1.00 31.12 C ATOM 513 CD1 LEU A 56 27.880 38.502 11.494 1.00 31.28 C ATOM 514 CD2 LEU A 56 27.653 40.386 9.814 1.00 31.25 C ATOM 515 HA LEU A 56 29.844 37.047 10.889 1.00 0.00 H ATOM 516 HB2 LEU A 56 30.157 39.629 10.634 1.00 0.00 H ATOM 517 HB3 LEU A 56 29.976 39.296 8.896 1.00 0.00 H ATOM 518 HG LEU A 56 27.761 38.320 9.308 1.00 0.00 H ATOM 519 HD21 LEU A 56 28.086 41.075 10.539 1.00 0.00 H ATOM 520 HD22 LEU A 56 27.905 40.712 8.805 1.00 0.00 H ATOM 521 HD23 LEU A 56 26.569 40.368 9.931 1.00 0.00 H ATOM 522 HD11 LEU A 56 28.258 37.490 11.641 1.00 0.00 H ATOM 523 HD12 LEU A 56 28.348 39.174 12.213 1.00 0.00 H ATOM 524 HD13 LEU A 56 26.799 38.511 11.636 1.00 0.00 H ATOM 525 H LEU A 56 32.227 38.675 10.425 1.00 0.00 H ATOM 526 N GLY A 57 31.207 36.931 7.870 1.00 24.99 N ATOM 527 CA GLY A 57 31.237 36.159 6.646 1.00 25.73 C ATOM 528 C GLY A 57 31.651 34.726 6.950 1.00 25.56 C ATOM 529 O GLY A 57 31.143 33.805 6.331 1.00 26.33 O ATOM 530 HA3 GLY A 57 31.953 36.604 5.955 1.00 0.00 H ATOM 531 HA2 GLY A 57 30.246 36.161 6.192 1.00 0.00 H ATOM 532 H GLY A 57 31.909 37.685 8.012 1.00 0.00 H ATOM 533 N GLN A 58 32.564 34.538 7.900 1.00 28.13 N ATOM 534 CA GLN A 58 33.021 33.194 8.273 1.00 30.25 C ATOM 535 C GLN A 58 31.903 32.420 8.969 1.00 29.30 C ATOM 536 O GLN A 58 31.794 31.212 8.796 1.00 30.66 O ATOM 537 CB GLN A 58 34.253 33.262 9.175 1.00 32.90 C ATOM 538 CG GLN A 58 35.456 33.856 8.481 1.00 36.55 C ATOM 539 CD GLN A 58 35.818 33.116 7.186 1.00 40.28 C ATOM 540 OE1 GLN A 58 36.334 33.728 6.238 1.00 43.46 O ATOM 541 NE2 GLN A 58 35.571 31.799 7.145 1.00 39.82 N ATOM 542 HA GLN A 58 33.295 32.670 7.358 1.00 0.00 H ATOM 543 HB2 GLN A 58 34.015 33.875 10.044 1.00 0.00 H ATOM 544 HB3 GLN A 58 34.502 32.252 9.501 1.00 0.00 H ATOM 545 HG2 GLN A 58 35.241 34.897 8.240 1.00 0.00 H ATOM 546 HG3 GLN A 58 36.308 33.810 9.159 1.00 0.00 H ATOM 547 HE22 GLN A 58 35.137 31.326 7.963 1.00 0.00 H ATOM 548 HE21 GLN A 58 35.814 31.251 6.295 1.00 0.00 H ATOM 549 H GLN A 58 32.963 35.364 8.390 1.00 0.00 H ATOM 550 N TYR A 59 31.094 33.123 9.759 1.00 28.73 N ATOM 551 CA TYR A 59 29.946 32.527 10.443 1.00 28.91 C ATOM 552 C TYR A 59 29.010 31.982 9.366 1.00 28.88 C ATOM 553 O TYR A 59 28.615 30.825 9.411 1.00 28.90 O ATOM 554 CB TYR A 59 29.196 33.600 11.222 1.00 28.18 C ATOM 555 CG TYR A 59 27.995 33.108 11.990 1.00 29.28 C ATOM 556 CD1 TYR A 59 28.137 32.580 13.275 1.00 30.04 C ATOM 557 CD2 TYR A 59 26.709 33.184 11.448 1.00 29.66 C ATOM 558 CE1 TYR A 59 27.037 32.149 14.009 1.00 28.71 C ATOM 559 CE2 TYR A 59 25.590 32.751 12.170 1.00 30.38 C ATOM 560 CZ TYR A 59 25.763 32.242 13.460 1.00 31.00 C ATOM 561 OH TYR A 59 24.667 31.911 14.222 1.00 28.97 O ATOM 562 HA TYR A 59 30.278 31.746 11.127 1.00 0.00 H ATOM 563 HB3 TYR A 59 28.858 34.358 10.515 1.00 0.00 H ATOM 564 HB2 TYR A 59 29.890 34.050 11.932 1.00 0.00 H ATOM 565 HD2 TYR A 59 26.575 33.588 10.445 1.00 0.00 H ATOM 566 HE2 TYR A 59 24.594 32.810 11.730 1.00 0.00 H ATOM 567 HE1 TYR A 59 27.173 31.740 15.010 1.00 0.00 H ATOM 568 HD1 TYR A 59 29.132 32.504 13.713 1.00 0.00 H ATOM 569 HH TYR A 59 24.969 31.569 15.101 1.00 0.00 H ATOM 570 H TYR A 59 31.286 34.136 9.895 1.00 0.00 H ATOM 571 N ILE A 60 28.671 32.821 8.387 1.00 26.10 N ATOM 572 CA ILE A 60 27.758 32.404 7.324 1.00 27.35 C ATOM 573 C ILE A 60 28.332 31.267 6.490 1.00 28.34 C ATOM 574 O ILE A 60 27.607 30.358 6.088 1.00 28.60 O ATOM 575 CB ILE A 60 27.391 33.589 6.371 1.00 24.17 C ATOM 576 CG1 ILE A 60 26.605 34.650 7.168 1.00 24.63 C ATOM 577 CG2 ILE A 60 26.601 33.033 5.121 1.00 24.41 C ATOM 578 CD1 ILE A 60 26.544 36.094 6.564 1.00 21.25 C ATOM 579 HA ILE A 60 26.857 32.056 7.829 1.00 0.00 H ATOM 580 HB ILE A 60 28.286 34.076 5.984 1.00 0.00 H ATOM 581 HG12 ILE A 60 25.580 34.293 7.270 1.00 0.00 H ATOM 582 HG13 ILE A 60 27.062 34.725 8.155 1.00 0.00 H ATOM 583 HD11 ILE A 60 27.555 36.489 6.468 1.00 0.00 H ATOM 584 HD12 ILE A 60 26.072 36.056 5.582 1.00 0.00 H ATOM 585 HD13 ILE A 60 25.962 36.738 7.223 1.00 0.00 H ATOM 586 HG21 ILE A 60 27.225 32.316 4.587 1.00 0.00 H ATOM 587 HG22 ILE A 60 25.689 32.541 5.459 1.00 0.00 H ATOM 588 HG23 ILE A 60 26.346 33.859 4.457 1.00 0.00 H ATOM 589 H ILE A 60 29.061 33.785 8.379 1.00 0.00 H ATOM 590 N MET A 61 29.625 31.336 6.216 1.00 29.47 N ATOM 591 CA MET A 61 30.288 30.315 5.416 1.00 33.64 C ATOM 592 C MET A 61 30.353 29.002 6.163 1.00 34.93 C ATOM 593 O MET A 61 30.037 27.939 5.609 1.00 34.30 O ATOM 594 CB MET A 61 31.715 30.754 5.058 1.00 37.81 C ATOM 595 CG MET A 61 31.958 30.934 3.570 1.00 44.20 C ATOM 596 SD MET A 61 33.620 31.574 3.216 1.00 48.77 S ATOM 597 CE MET A 61 34.461 30.068 2.721 1.00 47.52 C ATOM 598 HA MET A 61 29.706 30.182 4.504 1.00 0.00 H ATOM 599 HB2 MET A 61 31.915 31.704 5.554 1.00 0.00 H ATOM 600 HB3 MET A 61 32.408 29.999 5.429 1.00 0.00 H ATOM 601 HG2 MET A 61 31.221 31.634 3.176 1.00 0.00 H ATOM 602 HG3 MET A 61 31.841 29.969 3.076 1.00 0.00 H ATOM 603 HE1 MET A 61 34.434 29.352 3.542 1.00 0.00 H ATOM 604 HE2 MET A 61 33.961 29.644 1.850 1.00 0.00 H ATOM 605 HE3 MET A 61 35.497 30.297 2.471 1.00 0.00 H ATOM 606 H MET A 61 30.180 32.137 6.580 1.00 0.00 H ATOM 607 N VAL A 62 30.784 29.065 7.418 1.00 34.97 N ATOM 608 CA VAL A 62 30.904 27.863 8.213 1.00 36.01 C ATOM 609 C VAL A 62 29.585 27.142 8.382 1.00 36.02 C ATOM 610 O VAL A 62 29.503 25.916 8.176 1.00 36.68 O ATOM 611 CB VAL A 62 31.486 28.151 9.627 1.00 36.73 C ATOM 612 CG1 VAL A 62 31.264 26.939 10.540 1.00 38.76 C ATOM 613 CG2 VAL A 62 32.981 28.445 9.529 1.00 37.46 C ATOM 614 HA VAL A 62 31.591 27.225 7.657 1.00 0.00 H ATOM 615 HB VAL A 62 30.976 29.019 10.045 1.00 0.00 H ATOM 616 HG11 VAL A 62 30.196 26.740 10.624 1.00 0.00 H ATOM 617 HG12 VAL A 62 31.765 26.069 10.115 1.00 0.00 H ATOM 618 HG13 VAL A 62 31.675 27.150 11.528 1.00 0.00 H ATOM 619 HG21 VAL A 62 33.492 27.583 9.100 1.00 0.00 H ATOM 620 HG22 VAL A 62 33.138 29.316 8.893 1.00 0.00 H ATOM 621 HG23 VAL A 62 33.377 28.645 10.525 1.00 0.00 H ATOM 622 H VAL A 62 31.037 29.985 7.832 1.00 0.00 H ATOM 623 N LYS A 63 28.548 27.881 8.765 1.00 34.50 N ATOM 624 CA LYS A 63 27.260 27.267 8.976 1.00 32.63 C ATOM 625 C LYS A 63 26.541 27.012 7.676 1.00 31.73 C ATOM 626 O LYS A 63 25.443 26.487 7.679 1.00 31.57 O ATOM 627 CB LYS A 63 26.409 28.125 9.914 1.00 34.40 C ATOM 628 CG LYS A 63 27.064 28.301 11.282 1.00 35.46 C ATOM 629 CD LYS A 63 26.129 28.958 12.284 1.00 37.19 C ATOM 630 CE LYS A 63 25.160 27.962 12.947 1.00 39.83 C ATOM 631 NZ LYS A 63 24.416 28.562 14.121 1.00 39.33 N ATOM 632 HA LYS A 63 27.426 26.297 9.445 1.00 0.00 H ATOM 633 HB2 LYS A 63 26.268 29.107 9.462 1.00 0.00 H ATOM 634 HB3 LYS A 63 25.439 27.645 10.047 1.00 0.00 H ATOM 635 HG2 LYS A 63 27.354 27.321 11.662 1.00 0.00 H ATOM 636 HG3 LYS A 63 27.952 28.923 11.169 1.00 0.00 H ATOM 637 HD2 LYS A 63 26.729 29.429 13.062 1.00 0.00 H ATOM 638 HD3 LYS A 63 25.545 29.719 11.767 1.00 0.00 H ATOM 639 HE2 LYS A 63 25.730 27.102 13.298 1.00 0.00 H ATOM 640 HE3 LYS A 63 24.433 27.635 12.204 1.00 0.00 H ATOM 641 HZ1 LYS A 63 25.099 28.870 14.842 1.00 0.00 H ATOM 642 HZ2 LYS A 63 23.860 29.379 13.797 1.00 0.00 H ATOM 643 HZ3 LYS A 63 23.779 27.848 14.528 1.00 0.00 H ATOM 644 H LYS A 63 28.666 28.904 8.913 1.00 0.00 H ATOM 645 N GLN A 64 27.193 27.370 6.581 1.00 29.00 N ATOM 646 CA GLN A 64 26.673 27.199 5.238 1.00 28.93 C ATOM 647 C GLN A 64 25.249 27.745 5.163 1.00 26.87 C ATOM 648 O GLN A 64 24.305 27.011 4.832 1.00 26.03 O ATOM 649 CB GLN A 64 26.730 25.700 4.824 1.00 32.60 C ATOM 650 CG GLN A 64 28.154 25.084 4.897 1.00 34.29 C ATOM 651 CD GLN A 64 28.276 23.695 4.211 1.00 38.48 C ATOM 652 OE1 GLN A 64 27.393 22.809 4.343 1.00 38.98 O ATOM 653 NE2 GLN A 64 29.379 23.501 3.497 1.00 37.41 N ATOM 654 HA GLN A 64 27.290 27.759 4.536 1.00 0.00 H ATOM 655 HB2 GLN A 64 26.076 25.135 5.488 1.00 0.00 H ATOM 656 HB3 GLN A 64 26.369 25.612 3.799 1.00 0.00 H ATOM 657 HG2 GLN A 64 28.850 25.769 4.412 1.00 0.00 H ATOM 658 HG3 GLN A 64 28.427 24.974 5.946 1.00 0.00 H ATOM 659 HE22 GLN A 64 30.085 24.260 3.413 1.00 0.00 H ATOM 660 HE21 GLN A 64 29.537 22.590 3.022 1.00 0.00 H ATOM 661 H GLN A 64 28.134 27.799 6.690 1.00 0.00 H ATOM 662 N LEU A 65 25.091 29.039 5.458 1.00 25.09 N ATOM 663 CA LEU A 65 23.754 29.654 5.404 1.00 23.69 C ATOM 664 C LEU A 65 23.397 30.145 4.008 1.00 22.67 C ATOM 665 O LEU A 65 22.243 30.490 3.742 1.00 22.88 O ATOM 666 CB LEU A 65 23.649 30.816 6.414 1.00 23.12 C ATOM 667 CG LEU A 65 23.869 30.378 7.860 1.00 21.93 C ATOM 668 CD1 LEU A 65 23.661 31.556 8.764 1.00 22.96 C ATOM 669 CD2 LEU A 65 22.885 29.215 8.240 1.00 20.30 C ATOM 670 HA LEU A 65 23.038 28.876 5.671 1.00 0.00 H ATOM 671 HB2 LEU A 65 24.400 31.565 6.160 1.00 0.00 H ATOM 672 HB3 LEU A 65 22.656 31.257 6.333 1.00 0.00 H ATOM 673 HG LEU A 65 24.887 30.006 7.974 1.00 0.00 H ATOM 674 HD21 LEU A 65 21.857 29.559 8.127 1.00 0.00 H ATOM 675 HD22 LEU A 65 23.059 28.364 7.582 1.00 0.00 H ATOM 676 HD23 LEU A 65 23.058 28.918 9.274 1.00 0.00 H ATOM 677 HD11 LEU A 65 24.371 32.341 8.505 1.00 0.00 H ATOM 678 HD12 LEU A 65 22.644 31.930 8.643 1.00 0.00 H ATOM 679 HD13 LEU A 65 23.817 31.250 9.799 1.00 0.00 H ATOM 680 H LEU A 65 25.915 29.614 5.727 1.00 0.00 H ATOM 681 N TYR A 66 24.369 30.145 3.097 1.00 21.56 N ATOM 682 CA TYR A 66 24.096 30.607 1.748 1.00 23.09 C ATOM 683 C TYR A 66 23.674 29.444 0.837 1.00 22.67 C ATOM 684 O TYR A 66 23.934 28.284 1.136 1.00 24.47 O ATOM 685 CB TYR A 66 25.333 31.351 1.193 1.00 20.72 C ATOM 686 CG TYR A 66 26.483 30.449 0.889 1.00 25.03 C ATOM 687 CD1 TYR A 66 26.559 29.792 -0.358 1.00 26.11 C ATOM 688 CD2 TYR A 66 27.482 30.215 1.834 1.00 24.97 C ATOM 689 CE1 TYR A 66 27.593 28.938 -0.650 1.00 28.98 C ATOM 690 CE2 TYR A 66 28.539 29.345 1.544 1.00 26.70 C ATOM 691 CZ TYR A 66 28.581 28.723 0.299 1.00 27.29 C ATOM 692 OH TYR A 66 29.643 27.927 -0.054 1.00 31.36 O ATOM 693 HA TYR A 66 23.259 31.304 1.775 1.00 0.00 H ATOM 694 HB3 TYR A 66 25.655 32.084 1.932 1.00 0.00 H ATOM 695 HB2 TYR A 66 25.045 31.864 0.276 1.00 0.00 H ATOM 696 HD2 TYR A 66 27.439 30.712 2.803 1.00 0.00 H ATOM 697 HE2 TYR A 66 29.318 29.157 2.282 1.00 0.00 H ATOM 698 HE1 TYR A 66 27.637 28.435 -1.616 1.00 0.00 H ATOM 699 HD1 TYR A 66 25.782 29.966 -1.103 1.00 0.00 H ATOM 700 HH TYR A 66 29.500 27.573 -0.968 1.00 0.00 H ATOM 701 H TYR A 66 25.322 29.815 3.352 1.00 0.00 H ATOM 702 N ASP A 67 23.019 29.764 -0.260 1.00 24.46 N ATOM 703 CA ASP A 67 22.556 28.773 -1.203 1.00 27.19 C ATOM 704 C ASP A 67 23.700 28.335 -2.130 1.00 28.86 C ATOM 705 O ASP A 67 24.560 29.124 -2.507 1.00 28.32 O ATOM 706 CB ASP A 67 21.391 29.337 -1.986 1.00 28.73 C ATOM 707 CG ASP A 67 20.843 28.354 -3.012 1.00 32.83 C ATOM 708 OD1 ASP A 67 21.148 28.521 -4.204 1.00 37.31 O ATOM 709 OD2 ASP A 67 20.123 27.428 -2.637 1.00 33.05 O ATOM 710 HA ASP A 67 22.218 27.886 -0.667 1.00 0.00 H ATOM 711 HB2 ASP A 67 20.594 29.595 -1.289 1.00 0.00 H ATOM 712 HB3 ASP A 67 21.722 30.236 -2.506 1.00 0.00 H ATOM 713 H ASP A 67 22.828 30.768 -0.454 1.00 0.00 H ATOM 714 N GLN A 68 23.726 27.061 -2.483 1.00 28.97 N ATOM 715 CA GLN A 68 24.812 26.572 -3.320 1.00 31.45 C ATOM 716 C GLN A 68 24.767 27.047 -4.747 1.00 31.89 C ATOM 717 O GLN A 68 25.797 27.189 -5.389 1.00 31.21 O ATOM 718 CB GLN A 68 24.846 25.044 -3.289 1.00 33.56 C ATOM 719 CG GLN A 68 25.459 24.498 -2.020 1.00 37.13 C ATOM 720 CD GLN A 68 26.861 25.014 -1.805 1.00 41.37 C ATOM 721 OE1 GLN A 68 27.648 25.105 -2.758 1.00 44.07 O ATOM 722 NE2 GLN A 68 27.198 25.350 -0.553 1.00 42.97 N ATOM 723 HA GLN A 68 25.723 26.992 -2.893 1.00 0.00 H ATOM 724 HB2 GLN A 68 23.825 24.671 -3.372 1.00 0.00 H ATOM 725 HB3 GLN A 68 25.431 24.691 -4.139 1.00 0.00 H ATOM 726 HG2 GLN A 68 24.840 24.795 -1.173 1.00 0.00 H ATOM 727 HG3 GLN A 68 25.489 23.410 -2.083 1.00 0.00 H ATOM 728 HE22 GLN A 68 26.503 25.257 0.215 1.00 0.00 H ATOM 729 HE21 GLN A 68 28.154 25.704 -0.349 1.00 0.00 H ATOM 730 H GLN A 68 22.977 26.414 -2.165 1.00 0.00 H ATOM 731 N GLN A 69 23.570 27.296 -5.241 1.00 34.84 N ATOM 732 CA GLN A 69 23.382 27.737 -6.615 1.00 37.32 C ATOM 733 C GLN A 69 23.451 29.265 -6.740 1.00 37.74 C ATOM 734 O GLN A 69 24.125 29.795 -7.626 1.00 39.43 O ATOM 735 CB GLN A 69 22.033 27.218 -7.110 1.00 40.12 C ATOM 736 CG GLN A 69 22.054 26.579 -8.476 1.00 42.90 C ATOM 737 CD GLN A 69 22.121 25.048 -8.440 1.00 41.73 C ATOM 738 OE1 GLN A 69 21.615 24.420 -9.337 1.00 37.61 O ATOM 739 NE2 GLN A 69 22.753 24.454 -7.402 1.00 43.41 N ATOM 740 HA GLN A 69 24.189 27.335 -7.228 1.00 0.00 H ATOM 741 HB2 GLN A 69 21.674 26.477 -6.396 1.00 0.00 H ATOM 742 HB3 GLN A 69 21.339 28.058 -7.141 1.00 0.00 H ATOM 743 HG2 GLN A 69 21.148 26.872 -9.007 1.00 0.00 H ATOM 744 HG3 GLN A 69 22.926 26.949 -9.016 1.00 0.00 H ATOM 745 HE22 GLN A 69 23.176 25.034 -6.650 1.00 0.00 H ATOM 746 HE21 GLN A 69 22.816 23.417 -7.356 1.00 0.00 H ATOM 747 H GLN A 69 22.736 27.174 -4.631 1.00 0.00 H ATOM 748 N GLU A 70 22.738 29.970 -5.857 1.00 37.42 N ATOM 749 CA GLU A 70 22.721 31.434 -5.831 1.00 35.47 C ATOM 750 C GLU A 70 23.466 31.814 -4.561 1.00 32.53 C ATOM 751 O GLU A 70 22.832 32.161 -3.576 1.00 29.64 O ATOM 752 CB GLU A 70 21.290 31.956 -5.726 1.00 37.92 C ATOM 753 CG GLU A 70 20.495 31.885 -6.989 1.00 43.63 C ATOM 754 CD GLU A 70 19.912 33.229 -7.334 1.00 46.69 C ATOM 755 OE1 GLU A 70 19.013 33.710 -6.596 1.00 49.10 O ATOM 756 OE2 GLU A 70 20.374 33.816 -8.338 1.00 50.35 O ATOM 757 HA GLU A 70 23.165 31.850 -6.735 1.00 0.00 H ATOM 758 HB2 GLU A 70 20.771 31.370 -4.967 1.00 0.00 H ATOM 759 HB3 GLU A 70 21.333 32.999 -5.412 1.00 0.00 H ATOM 760 HG2 GLU A 70 21.144 31.558 -7.801 1.00 0.00 H ATOM 761 HG3 GLU A 70 19.685 31.167 -6.861 1.00 0.00 H ATOM 762 H GLU A 70 22.169 29.455 -5.155 1.00 0.00 H ATOM 763 N GLN A 71 24.799 31.767 -4.589 1.00 31.10 N ATOM 764 CA GLN A 71 25.598 32.032 -3.394 1.00 29.40 C ATOM 765 C GLN A 71 25.469 33.411 -2.743 1.00 26.20 C ATOM 766 O GLN A 71 25.970 33.602 -1.647 1.00 25.11 O ATOM 767 CB GLN A 71 27.069 31.732 -3.649 1.00 30.60 C ATOM 768 CG GLN A 71 27.302 30.392 -4.363 1.00 33.74 C ATOM 769 CD GLN A 71 28.491 29.648 -3.810 1.00 33.87 C ATOM 770 OE1 GLN A 71 29.310 30.217 -3.105 1.00 36.71 O ATOM 771 NE2 GLN A 71 28.595 28.352 -4.130 1.00 36.15 N ATOM 772 HA GLN A 71 25.161 31.350 -2.664 1.00 0.00 H ATOM 773 HB2 GLN A 71 27.483 32.529 -4.266 1.00 0.00 H ATOM 774 HB3 GLN A 71 27.589 31.709 -2.691 1.00 0.00 H ATOM 775 HG2 GLN A 71 26.414 29.772 -4.244 1.00 0.00 H ATOM 776 HG3 GLN A 71 27.470 30.584 -5.423 1.00 0.00 H ATOM 777 HE22 GLN A 71 27.875 27.906 -4.734 1.00 0.00 H ATOM 778 HE21 GLN A 71 29.396 27.791 -3.775 1.00 0.00 H ATOM 779 H GLN A 71 25.281 31.537 -5.481 1.00 0.00 H ATOM 780 N HIS A 72 24.837 34.372 -3.409 1.00 26.53 N ATOM 781 CA HIS A 72 24.630 35.674 -2.758 1.00 26.95 C ATOM 782 C HIS A 72 23.398 35.564 -1.821 1.00 26.32 C ATOM 783 O HIS A 72 23.144 36.445 -0.995 1.00 26.08 O ATOM 784 CB HIS A 72 24.387 36.787 -3.789 1.00 26.30 C ATOM 785 CG HIS A 72 23.325 36.479 -4.790 1.00 29.99 C ATOM 786 ND1 HIS A 72 22.010 36.839 -4.617 1.00 31.39 N ATOM 787 CD2 HIS A 72 23.388 35.841 -5.987 1.00 31.12 C ATOM 788 CE1 HIS A 72 21.302 36.437 -5.660 1.00 31.94 C ATOM 789 NE2 HIS A 72 22.118 35.828 -6.503 1.00 34.47 N ATOM 790 HA HIS A 72 25.527 35.931 -2.194 1.00 0.00 H ATOM 791 HB2 HIS A 72 24.099 37.691 -3.253 1.00 0.00 H ATOM 792 HB3 HIS A 72 25.319 36.965 -4.325 1.00 0.00 H ATOM 793 HD2 HIS A 72 24.280 35.419 -6.450 1.00 0.00 H ATOM 794 HE1 HIS A 72 20.231 36.583 -5.800 1.00 0.00 H ATOM 795 H HIS A 72 24.494 34.205 -4.377 1.00 0.00 H ATOM 796 N MET A 73 22.631 34.483 -1.958 1.00 24.77 N ATOM 797 CA MET A 73 21.450 34.288 -1.128 1.00 23.90 C ATOM 798 C MET A 73 21.816 33.597 0.194 1.00 22.84 C ATOM 799 O MET A 73 22.472 32.552 0.218 1.00 21.51 O ATOM 800 CB MET A 73 20.362 33.474 -1.870 1.00 25.35 C ATOM 801 CG MET A 73 19.590 34.227 -2.999 1.00 28.93 C ATOM 802 SD MET A 73 18.910 35.861 -2.566 1.00 34.52 S ATOM 803 CE MET A 73 17.784 35.532 -1.198 1.00 29.18 C ATOM 804 HA MET A 73 21.044 35.275 -0.907 1.00 0.00 H ATOM 805 HB2 MET A 73 20.844 32.605 -2.318 1.00 0.00 H ATOM 806 HB3 MET A 73 19.632 33.143 -1.131 1.00 0.00 H ATOM 807 HG2 MET A 73 18.759 33.594 -3.312 1.00 0.00 H ATOM 808 HG3 MET A 73 20.276 34.364 -3.835 1.00 0.00 H ATOM 809 HE1 MET A 73 17.007 34.842 -1.527 1.00 0.00 H ATOM 810 HE2 MET A 73 18.339 35.090 -0.371 1.00 0.00 H ATOM 811 HE3 MET A 73 17.327 36.467 -0.872 1.00 0.00 H ATOM 812 H MET A 73 22.880 33.766 -2.670 1.00 0.00 H ATOM 813 N VAL A 74 21.384 34.205 1.299 1.00 22.51 N ATOM 814 CA VAL A 74 21.660 33.664 2.628 1.00 20.53 C ATOM 815 C VAL A 74 20.329 33.435 3.327 1.00 21.27 C ATOM 816 O VAL A 74 19.497 34.364 3.411 1.00 20.94 O ATOM 817 CB VAL A 74 22.503 34.677 3.489 1.00 21.82 C ATOM 818 CG1 VAL A 74 22.735 34.133 4.926 1.00 21.11 C ATOM 819 CG2 VAL A 74 23.818 34.962 2.831 1.00 20.21 C ATOM 820 HA VAL A 74 22.227 32.739 2.524 1.00 0.00 H ATOM 821 HB VAL A 74 21.935 35.605 3.560 1.00 0.00 H ATOM 822 HG11 VAL A 74 21.773 33.977 5.414 1.00 0.00 H ATOM 823 HG12 VAL A 74 23.274 33.187 4.872 1.00 0.00 H ATOM 824 HG13 VAL A 74 23.320 34.855 5.496 1.00 0.00 H ATOM 825 HG21 VAL A 74 24.380 34.034 2.727 1.00 0.00 H ATOM 826 HG22 VAL A 74 23.644 35.395 1.846 1.00 0.00 H ATOM 827 HG23 VAL A 74 24.384 35.664 3.443 1.00 0.00 H ATOM 828 H VAL A 74 20.837 35.086 1.213 1.00 0.00 H ATOM 829 N TYR A 75 20.102 32.209 3.806 1.00 20.48 N ATOM 830 CA TYR A 75 18.875 31.900 4.555 1.00 20.33 C ATOM 831 C TYR A 75 19.323 31.810 6.013 1.00 20.32 C ATOM 832 O TYR A 75 20.131 30.945 6.356 1.00 19.45 O ATOM 833 CB TYR A 75 18.251 30.557 4.125 1.00 21.43 C ATOM 834 CG TYR A 75 16.948 30.268 4.833 1.00 19.73 C ATOM 835 CD1 TYR A 75 15.759 30.912 4.445 1.00 23.59 C ATOM 836 CD2 TYR A 75 16.915 29.467 5.961 1.00 23.17 C ATOM 837 CE1 TYR A 75 14.564 30.782 5.184 1.00 21.74 C ATOM 838 CE2 TYR A 75 15.733 29.326 6.701 1.00 24.74 C ATOM 839 CZ TYR A 75 14.558 29.998 6.306 1.00 24.07 C ATOM 840 OH TYR A 75 13.407 29.873 7.072 1.00 25.17 O ATOM 841 HA TYR A 75 18.112 32.659 4.380 1.00 0.00 H ATOM 842 HB3 TYR A 75 18.956 29.756 4.350 1.00 0.00 H ATOM 843 HB2 TYR A 75 18.066 30.586 3.051 1.00 0.00 H ATOM 844 HD2 TYR A 75 17.816 28.941 6.277 1.00 0.00 H ATOM 845 HE2 TYR A 75 15.722 28.693 7.588 1.00 0.00 H ATOM 846 HE1 TYR A 75 13.658 31.299 4.866 1.00 0.00 H ATOM 847 HD1 TYR A 75 15.761 31.530 3.547 1.00 0.00 H ATOM 848 HH TYR A 75 13.141 28.920 7.113 1.00 0.00 H ATOM 849 H TYR A 75 20.805 31.460 3.646 1.00 0.00 H ATOM 850 N CYS A 76 18.783 32.693 6.858 1.00 20.07 N ATOM 851 CA CYS A 76 19.153 32.804 8.291 1.00 23.71 C ATOM 852 C CYS A 76 17.963 32.489 9.214 1.00 24.46 C ATOM 853 O CYS A 76 18.067 32.596 10.440 1.00 24.98 O ATOM 854 CB CYS A 76 19.728 34.220 8.578 1.00 22.17 C ATOM 855 SG CYS A 76 18.825 35.562 7.753 1.00 28.53 S ATOM 856 HA CYS A 76 19.922 32.061 8.504 1.00 0.00 H ATOM 857 HB2 CYS A 76 20.764 34.245 8.240 1.00 0.00 H ATOM 858 HB3 CYS A 76 19.693 34.393 9.654 1.00 0.00 H ATOM 859 HG CYS A 76 17.512 35.560 8.178 1.00 0.00 H ATOM 860 H CYS A 76 18.059 33.342 6.489 1.00 0.00 H ATOM 861 N GLY A 77 16.835 32.089 8.627 1.00 23.07 N ATOM 862 CA GLY A 77 15.681 31.720 9.443 1.00 27.04 C ATOM 863 C GLY A 77 16.085 30.592 10.399 1.00 28.31 C ATOM 864 O GLY A 77 16.807 29.677 10.012 1.00 28.62 O ATOM 865 HA3 GLY A 77 14.871 31.380 8.798 1.00 0.00 H ATOM 866 HA2 GLY A 77 15.348 32.584 10.017 1.00 0.00 H ATOM 867 H GLY A 77 16.777 32.040 7.590 1.00 0.00 H ATOM 868 N GLY A 78 15.649 30.656 11.655 1.00 29.05 N ATOM 869 CA GLY A 78 16.010 29.599 12.587 1.00 30.63 C ATOM 870 C GLY A 78 17.448 29.638 13.105 1.00 32.77 C ATOM 871 O GLY A 78 17.915 28.701 13.737 1.00 33.26 O ATOM 872 HA3 GLY A 78 15.860 28.643 12.085 1.00 0.00 H ATOM 873 HA2 GLY A 78 15.342 29.666 13.446 1.00 0.00 H ATOM 874 H GLY A 78 15.057 31.452 11.966 1.00 0.00 H ATOM 875 N ASP A 79 18.159 30.724 12.832 1.00 30.85 N ATOM 876 CA ASP A 79 19.528 30.894 13.281 1.00 29.40 C ATOM 877 C ASP A 79 19.491 32.198 14.051 1.00 27.92 C ATOM 878 O ASP A 79 18.656 33.054 13.771 1.00 29.19 O ATOM 879 CB ASP A 79 20.457 31.024 12.059 1.00 29.94 C ATOM 880 CG ASP A 79 21.933 30.986 12.421 1.00 29.99 C ATOM 881 OD1 ASP A 79 22.578 29.920 12.271 1.00 30.85 O ATOM 882 OD2 ASP A 79 22.459 32.026 12.854 1.00 29.19 O ATOM 883 HA ASP A 79 19.896 30.060 13.879 1.00 0.00 H ATOM 884 HB2 ASP A 79 20.247 30.202 11.375 1.00 0.00 H ATOM 885 HB3 ASP A 79 20.246 31.971 11.563 1.00 0.00 H ATOM 886 H ASP A 79 17.718 31.483 12.274 1.00 0.00 H ATOM 887 N LEU A 80 20.385 32.366 15.022 1.00 25.74 N ATOM 888 CA LEU A 80 20.403 33.613 15.753 1.00 24.74 C ATOM 889 C LEU A 80 20.702 34.791 14.836 1.00 22.46 C ATOM 890 O LEU A 80 20.365 35.916 15.141 1.00 21.85 O ATOM 891 CB LEU A 80 21.454 33.587 16.861 1.00 28.37 C ATOM 892 CG LEU A 80 20.982 32.812 18.106 1.00 31.80 C ATOM 893 CD1 LEU A 80 22.137 32.600 19.060 1.00 32.92 C ATOM 894 CD2 LEU A 80 19.862 33.595 18.789 1.00 33.47 C ATOM 895 HA LEU A 80 19.411 33.733 16.188 1.00 0.00 H ATOM 896 HB2 LEU A 80 22.357 33.113 16.476 1.00 0.00 H ATOM 897 HB3 LEU A 80 21.680 34.613 17.153 1.00 0.00 H ATOM 898 HG LEU A 80 20.606 31.834 17.805 1.00 0.00 H ATOM 899 HD21 LEU A 80 20.235 34.575 19.087 1.00 0.00 H ATOM 900 HD22 LEU A 80 19.030 33.717 18.095 1.00 0.00 H ATOM 901 HD23 LEU A 80 19.525 33.050 19.671 1.00 0.00 H ATOM 902 HD11 LEU A 80 22.920 32.029 18.560 1.00 0.00 H ATOM 903 HD12 LEU A 80 22.533 33.567 19.370 1.00 0.00 H ATOM 904 HD13 LEU A 80 21.788 32.051 19.935 1.00 0.00 H ATOM 905 H LEU A 80 21.062 31.610 15.252 1.00 0.00 H ATOM 906 N LEU A 81 21.351 34.546 13.712 1.00 23.20 N ATOM 907 CA LEU A 81 21.656 35.664 12.832 1.00 23.15 C ATOM 908 C LEU A 81 20.342 36.261 12.268 1.00 22.90 C ATOM 909 O LEU A 81 20.208 37.480 12.098 1.00 22.48 O ATOM 910 CB LEU A 81 22.552 35.175 11.685 1.00 22.62 C ATOM 911 CG LEU A 81 22.908 36.256 10.657 1.00 24.11 C ATOM 912 CD1 LEU A 81 23.499 37.498 11.346 1.00 20.56 C ATOM 913 CD2 LEU A 81 23.898 35.688 9.654 1.00 24.88 C ATOM 914 HA LEU A 81 22.180 36.439 13.391 1.00 0.00 H ATOM 915 HB2 LEU A 81 23.478 34.793 12.114 1.00 0.00 H ATOM 916 HB3 LEU A 81 22.034 34.368 11.167 1.00 0.00 H ATOM 917 HG LEU A 81 21.999 36.563 10.139 1.00 0.00 H ATOM 918 HD21 LEU A 81 24.800 35.369 10.176 1.00 0.00 H ATOM 919 HD22 LEU A 81 23.449 34.834 9.146 1.00 0.00 H ATOM 920 HD23 LEU A 81 24.152 36.455 8.922 1.00 0.00 H ATOM 921 HD11 LEU A 81 22.769 37.906 12.045 1.00 0.00 H ATOM 922 HD12 LEU A 81 24.403 37.217 11.886 1.00 0.00 H ATOM 923 HD13 LEU A 81 23.742 38.248 10.594 1.00 0.00 H ATOM 924 H LEU A 81 21.637 33.578 13.462 1.00 0.00 H ATOM 925 N GLY A 82 19.396 35.380 11.952 1.00 21.75 N ATOM 926 CA GLY A 82 18.116 35.814 11.424 1.00 23.65 C ATOM 927 C GLY A 82 17.308 36.558 12.490 1.00 23.79 C ATOM 928 O GLY A 82 16.569 37.506 12.213 1.00 23.70 O ATOM 929 HA3 GLY A 82 17.552 34.942 11.093 1.00 0.00 H ATOM 930 HA2 GLY A 82 18.286 36.478 10.577 1.00 0.00 H ATOM 931 H GLY A 82 19.577 34.365 12.086 1.00 0.00 H ATOM 932 N GLU A 83 17.444 36.141 13.733 1.00 24.91 N ATOM 933 CA GLU A 83 16.708 36.830 14.797 1.00 27.32 C ATOM 934 C GLU A 83 17.245 38.246 14.987 1.00 27.26 C ATOM 935 O GLU A 83 16.483 39.191 15.240 1.00 26.78 O ATOM 936 CB GLU A 83 16.805 36.037 16.092 1.00 29.64 C ATOM 937 CG GLU A 83 16.314 36.791 17.287 1.00 36.40 C ATOM 938 CD GLU A 83 16.488 35.987 18.566 1.00 39.04 C ATOM 939 OE1 GLU A 83 16.113 34.797 18.553 1.00 39.69 O ATOM 940 OE2 GLU A 83 17.005 36.549 19.569 1.00 42.69 O ATOM 941 HA GLU A 83 15.659 36.903 14.511 1.00 0.00 H ATOM 942 HB2 GLU A 83 16.211 35.129 15.987 1.00 0.00 H ATOM 943 HB3 GLU A 83 17.849 35.769 16.257 1.00 0.00 H ATOM 944 HG2 GLU A 83 16.876 37.721 17.374 1.00 0.00 H ATOM 945 HG3 GLU A 83 15.256 37.018 17.153 1.00 0.00 H ATOM 946 H GLU A 83 18.064 35.336 13.955 1.00 0.00 H ATOM 947 N LEU A 84 18.554 38.400 14.802 1.00 26.68 N ATOM 948 CA LEU A 84 19.191 39.693 14.945 1.00 28.01 C ATOM 949 C LEU A 84 18.880 40.571 13.732 1.00 27.45 C ATOM 950 O LEU A 84 18.606 41.768 13.874 1.00 27.01 O ATOM 951 CB LEU A 84 20.703 39.519 15.094 1.00 29.41 C ATOM 952 CG LEU A 84 21.516 40.778 15.387 1.00 32.13 C ATOM 953 CD1 LEU A 84 21.018 41.359 16.685 1.00 32.89 C ATOM 954 CD2 LEU A 84 23.001 40.450 15.463 1.00 33.10 C ATOM 955 HA LEU A 84 18.802 40.180 15.839 1.00 0.00 H ATOM 956 HB2 LEU A 84 20.876 38.817 15.910 1.00 0.00 H ATOM 957 HB3 LEU A 84 21.079 39.092 14.164 1.00 0.00 H ATOM 958 HG LEU A 84 21.391 41.506 14.586 1.00 0.00 H ATOM 959 HD21 LEU A 84 23.171 39.725 16.259 1.00 0.00 H ATOM 960 HD22 LEU A 84 23.328 40.030 14.512 1.00 0.00 H ATOM 961 HD23 LEU A 84 23.563 41.360 15.673 1.00 0.00 H ATOM 962 HD11 LEU A 84 19.961 41.606 16.589 1.00 0.00 H ATOM 963 HD12 LEU A 84 21.151 40.629 17.483 1.00 0.00 H ATOM 964 HD13 LEU A 84 21.583 42.261 16.918 1.00 0.00 H ATOM 965 H LEU A 84 19.132 37.574 14.549 1.00 0.00 H ATOM 966 N LEU A 85 18.908 39.986 12.539 1.00 26.57 N ATOM 967 CA LEU A 85 18.612 40.755 11.331 1.00 27.71 C ATOM 968 C LEU A 85 17.151 41.125 11.176 1.00 27.81 C ATOM 969 O LEU A 85 16.836 42.065 10.447 1.00 28.18 O ATOM 970 CB LEU A 85 18.990 39.989 10.072 1.00 27.64 C ATOM 971 CG LEU A 85 20.451 39.685 9.824 1.00 30.60 C ATOM 972 CD1 LEU A 85 20.568 38.831 8.554 1.00 31.17 C ATOM 973 CD2 LEU A 85 21.233 40.972 9.697 1.00 32.61 C ATOM 974 HA LEU A 85 19.205 41.662 11.451 1.00 0.00 H ATOM 975 HB2 LEU A 85 18.464 39.035 10.105 1.00 0.00 H ATOM 976 HB3 LEU A 85 18.633 40.570 9.222 1.00 0.00 H ATOM 977 HG LEU A 85 20.869 39.128 10.663 1.00 0.00 H ATOM 978 HD21 LEU A 85 20.841 41.553 8.863 1.00 0.00 H ATOM 979 HD22 LEU A 85 21.137 41.546 10.618 1.00 0.00 H ATOM 980 HD23 LEU A 85 22.283 40.741 9.519 1.00 0.00 H ATOM 981 HD11 LEU A 85 20.014 37.902 8.690 1.00 0.00 H ATOM 982 HD12 LEU A 85 20.155 39.381 7.708 1.00 0.00 H ATOM 983 HD13 LEU A 85 21.617 38.605 8.365 1.00 0.00 H ATOM 984 H LEU A 85 19.142 38.975 12.464 1.00 0.00 H ATOM 985 N GLY A 86 16.269 40.373 11.827 1.00 26.88 N ATOM 986 CA GLY A 86 14.840 40.626 11.721 1.00 26.80 C ATOM 987 C GLY A 86 14.294 40.059 10.413 1.00 27.35 C ATOM 988 O GLY A 86 13.199 40.442 9.971 1.00 25.46 O ATOM 989 HA3 GLY A 86 14.662 41.701 11.748 1.00 0.00 H ATOM 990 HA2 GLY A 86 14.328 40.153 12.559 1.00 0.00 H ATOM 991 H GLY A 86 16.606 39.590 12.423 1.00 0.00 H ATOM 992 N ARG A 87 15.034 39.103 9.833 1.00 27.20 N ATOM 993 CA ARG A 87 14.711 38.507 8.521 1.00 28.91 C ATOM 994 C ARG A 87 14.965 37.005 8.423 1.00 28.78 C ATOM 995 O ARG A 87 15.769 36.458 9.180 1.00 28.91 O ATOM 996 CB ARG A 87 15.589 39.179 7.451 1.00 30.78 C ATOM 997 CG ARG A 87 15.453 40.657 7.473 1.00 33.92 C ATOM 998 CD ARG A 87 16.287 41.291 6.441 1.00 34.03 C ATOM 999 NE ARG A 87 16.070 40.671 5.152 1.00 34.39 N ATOM 1000 CZ ARG A 87 15.461 41.245 4.118 1.00 34.93 C ATOM 1001 NH1 ARG A 87 14.973 42.494 4.212 1.00 27.62 N ATOM 1002 NH2 ARG A 87 15.402 40.569 2.970 1.00 33.87 N ATOM 1003 HA ARG A 87 13.643 38.668 8.377 1.00 0.00 H ATOM 1004 HB2 ARG A 87 16.631 38.918 7.635 1.00 0.00 H ATOM 1005 HB3 ARG A 87 15.291 38.812 6.469 1.00 0.00 H ATOM 1006 HG2 ARG A 87 14.410 40.920 7.296 1.00 0.00 H ATOM 1007 HG3 ARG A 87 15.759 41.026 8.452 1.00 0.00 H ATOM 1008 HD2 ARG A 87 17.337 41.187 6.716 1.00 0.00 H ATOM 1009 HD3 ARG A 87 16.033 42.349 6.376 1.00 0.00 H ATOM 1010 HE ARG A 87 16.418 39.699 5.024 1.00 0.00 H ATOM 1011 HH12 ARG A 87 14.499 42.930 3.395 1.00 0.00 H ATOM 1012 HH11 ARG A 87 15.069 43.024 5.101 1.00 0.00 H ATOM 1013 HH22 ARG A 87 14.933 40.989 2.142 1.00 0.00 H ATOM 1014 HH21 ARG A 87 15.825 39.621 2.902 1.00 0.00 H ATOM 1015 H ARG A 87 15.880 38.763 10.333 1.00 0.00 H ATOM 1016 N GLN A 88 14.265 36.327 7.514 1.00 27.71 N ATOM 1017 CA GLN A 88 14.538 34.920 7.340 1.00 28.31 C ATOM 1018 C GLN A 88 15.558 34.762 6.213 1.00 27.66 C ATOM 1019 O GLN A 88 16.106 33.684 6.060 1.00 25.23 O ATOM 1020 CB GLN A 88 13.269 34.143 7.036 1.00 33.59 C ATOM 1021 CG GLN A 88 12.479 33.819 8.312 1.00 39.35 C ATOM 1022 CD GLN A 88 11.023 33.532 8.004 1.00 44.48 C ATOM 1023 OE1 GLN A 88 10.360 32.769 8.712 1.00 47.46 O ATOM 1024 NE2 GLN A 88 10.507 34.159 6.942 1.00 47.26 N ATOM 1025 HA GLN A 88 14.943 34.512 8.266 1.00 0.00 H ATOM 1026 HB2 GLN A 88 12.641 34.738 6.373 1.00 0.00 H ATOM 1027 HB3 GLN A 88 13.537 33.210 6.540 1.00 0.00 H ATOM 1028 HG2 GLN A 88 12.920 32.944 8.790 1.00 0.00 H ATOM 1029 HG3 GLN A 88 12.537 34.670 8.991 1.00 0.00 H ATOM 1030 HE22 GLN A 88 11.103 34.794 6.373 1.00 0.00 H ATOM 1031 HE21 GLN A 88 9.510 34.012 6.685 1.00 0.00 H ATOM 1032 H GLN A 88 13.537 36.801 6.942 1.00 0.00 H ATOM 1033 N SER A 89 15.803 35.824 5.428 1.00 25.35 N ATOM 1034 CA SER A 89 16.810 35.773 4.367 1.00 24.29 C ATOM 1035 C SER A 89 17.257 37.160 3.856 1.00 24.23 C ATOM 1036 O SER A 89 16.606 38.183 4.103 1.00 23.53 O ATOM 1037 CB SER A 89 16.315 34.935 3.182 1.00 24.36 C ATOM 1038 OG SER A 89 15.243 35.571 2.514 1.00 24.63 O ATOM 1039 HA SER A 89 17.682 35.306 4.825 1.00 0.00 H ATOM 1040 HB2 SER A 89 15.980 33.965 3.549 1.00 0.00 H ATOM 1041 HB3 SER A 89 17.137 34.793 2.480 1.00 0.00 H ATOM 1042 HG SER A 89 15.543 36.451 2.174 1.00 0.00 H ATOM 1043 H SER A 89 15.265 36.702 5.577 1.00 0.00 H ATOM 1044 N PHE A 90 18.377 37.178 3.155 1.00 22.91 N ATOM 1045 CA PHE A 90 18.900 38.422 2.585 1.00 23.48 C ATOM 1046 C PHE A 90 19.872 38.090 1.495 1.00 23.44 C ATOM 1047 O PHE A 90 20.285 36.936 1.357 1.00 22.16 O ATOM 1048 CB PHE A 90 19.545 39.299 3.680 1.00 24.35 C ATOM 1049 CG PHE A 90 20.860 38.778 4.221 1.00 24.49 C ATOM 1050 CD1 PHE A 90 22.066 39.202 3.674 1.00 29.18 C ATOM 1051 CD2 PHE A 90 20.886 37.867 5.281 1.00 27.48 C ATOM 1052 CE1 PHE A 90 23.313 38.722 4.167 1.00 27.30 C ATOM 1053 CE2 PHE A 90 22.104 37.385 5.787 1.00 28.18 C ATOM 1054 CZ PHE A 90 23.315 37.814 5.221 1.00 27.59 C ATOM 1055 HA PHE A 90 18.082 39.002 2.158 1.00 0.00 H ATOM 1056 HB2 PHE A 90 19.720 40.290 3.261 1.00 0.00 H ATOM 1057 HB3 PHE A 90 18.843 39.375 4.510 1.00 0.00 H ATOM 1058 HD2 PHE A 90 19.949 37.526 5.721 1.00 0.00 H ATOM 1059 HE2 PHE A 90 22.109 36.679 6.618 1.00 0.00 H ATOM 1060 HZ PHE A 90 24.260 37.434 5.609 1.00 0.00 H ATOM 1061 HE1 PHE A 90 24.250 39.061 3.726 1.00 0.00 H ATOM 1062 HD1 PHE A 90 22.057 39.916 2.851 1.00 0.00 H ATOM 1063 H PHE A 90 18.898 36.291 3.005 1.00 0.00 H ATOM 1064 N SER A 91 20.182 39.089 0.671 1.00 23.80 N ATOM 1065 CA SER A 91 21.102 38.921 -0.432 1.00 23.61 C ATOM 1066 C SER A 91 22.348 39.764 -0.210 1.00 24.93 C ATOM 1067 O SER A 91 22.260 40.941 0.123 1.00 24.87 O ATOM 1068 CB SER A 91 20.424 39.328 -1.765 1.00 23.30 C ATOM 1069 OG SER A 91 21.343 39.209 -2.839 1.00 26.11 O ATOM 1070 HA SER A 91 21.388 37.871 -0.487 1.00 0.00 H ATOM 1071 HB2 SER A 91 20.083 40.361 -1.695 1.00 0.00 H ATOM 1072 HB3 SER A 91 19.570 38.677 -1.948 1.00 0.00 H ATOM 1073 HG SER A 91 21.652 38.271 -2.905 1.00 0.00 H ATOM 1074 H SER A 91 19.748 40.021 0.826 1.00 0.00 H ATOM 1075 N VAL A 92 23.519 39.173 -0.393 1.00 25.02 N ATOM 1076 CA VAL A 92 24.756 39.925 -0.208 1.00 25.64 C ATOM 1077 C VAL A 92 24.874 41.004 -1.290 1.00 27.46 C ATOM 1078 O VAL A 92 25.621 41.970 -1.135 1.00 27.06 O ATOM 1079 CB VAL A 92 25.978 39.028 -0.310 1.00 26.18 C ATOM 1080 CG1 VAL A 92 27.255 39.877 -0.092 1.00 24.90 C ATOM 1081 CG2 VAL A 92 25.876 37.922 0.688 1.00 25.35 C ATOM 1082 HA VAL A 92 24.719 40.369 0.787 1.00 0.00 H ATOM 1083 HB VAL A 92 26.032 38.578 -1.301 1.00 0.00 H ATOM 1084 HG11 VAL A 92 27.307 40.654 -0.854 1.00 0.00 H ATOM 1085 HG12 VAL A 92 27.220 40.337 0.896 1.00 0.00 H ATOM 1086 HG13 VAL A 92 28.133 39.235 -0.165 1.00 0.00 H ATOM 1087 HG21 VAL A 92 25.820 38.344 1.691 1.00 0.00 H ATOM 1088 HG22 VAL A 92 24.979 37.336 0.488 1.00 0.00 H ATOM 1089 HG23 VAL A 92 26.755 37.282 0.610 1.00 0.00 H ATOM 1090 H VAL A 92 23.557 38.171 -0.669 1.00 0.00 H ATOM 1091 N LYS A 93 24.126 40.814 -2.369 1.00 28.56 N ATOM 1092 CA LYS A 93 24.111 41.761 -3.485 1.00 32.33 C ATOM 1093 C LYS A 93 23.320 43.035 -3.122 1.00 32.28 C ATOM 1094 O LYS A 93 23.498 44.055 -3.772 1.00 34.32 O ATOM 1095 CB LYS A 93 23.522 41.090 -4.731 1.00 36.23 C ATOM 1096 CG LYS A 93 23.595 41.944 -5.990 1.00 41.54 C ATOM 1097 CD LYS A 93 23.373 41.121 -7.286 1.00 46.42 C ATOM 1098 CE LYS A 93 21.922 40.677 -7.454 1.00 46.56 C ATOM 1099 NZ LYS A 93 21.512 39.753 -6.352 1.00 49.74 N ATOM 1100 HA LYS A 93 25.137 42.061 -3.699 1.00 0.00 H ATOM 1101 HB2 LYS A 93 24.069 40.165 -4.913 1.00 0.00 H ATOM 1102 HB3 LYS A 93 22.475 40.859 -4.534 1.00 0.00 H ATOM 1103 HG2 LYS A 93 22.829 42.717 -5.932 1.00 0.00 H ATOM 1104 HG3 LYS A 93 24.578 42.412 -6.038 1.00 0.00 H ATOM 1105 HD2 LYS A 93 23.653 41.734 -8.142 1.00 0.00 H ATOM 1106 HD3 LYS A 93 24.008 40.236 -7.252 1.00 0.00 H ATOM 1107 HE2 LYS A 93 21.815 40.163 -8.409 1.00 0.00 H ATOM 1108 HE3 LYS A 93 21.277 41.555 -7.441 1.00 0.00 H ATOM 1109 HZ1 LYS A 93 22.122 38.911 -6.362 1.00 0.00 H ATOM 1110 HZ2 LYS A 93 21.608 40.241 -5.439 1.00 0.00 H ATOM 1111 HZ3 LYS A 93 20.522 39.467 -6.491 1.00 0.00 H ATOM 1112 H LYS A 93 23.530 39.963 -2.424 1.00 0.00 H ATOM 1113 N ASP A 94 22.471 42.975 -2.086 1.00 30.71 N ATOM 1114 CA ASP A 94 21.663 44.137 -1.599 1.00 30.07 C ATOM 1115 C ASP A 94 21.813 44.127 -0.077 1.00 26.45 C ATOM 1116 O ASP A 94 20.869 43.857 0.656 1.00 24.46 O ATOM 1117 CB ASP A 94 20.191 43.956 -1.962 1.00 33.21 C ATOM 1118 CG ASP A 94 20.013 43.569 -3.396 1.00 38.48 C ATOM 1119 OD1 ASP A 94 20.514 44.328 -4.265 1.00 41.02 O ATOM 1120 OD2 ASP A 94 19.395 42.499 -3.655 1.00 41.92 O ATOM 1121 HA ASP A 94 22.001 45.071 -2.047 1.00 0.00 H ATOM 1122 HB2 ASP A 94 19.766 43.176 -1.331 1.00 0.00 H ATOM 1123 HB3 ASP A 94 19.666 44.894 -1.782 1.00 0.00 H ATOM 1124 H ASP A 94 22.368 42.066 -1.591 1.00 0.00 H ATOM 1125 N PRO A 95 23.009 44.467 0.400 1.00 25.42 N ATOM 1126 CA PRO A 95 23.356 44.481 1.814 1.00 23.80 C ATOM 1127 C PRO A 95 22.692 45.431 2.766 1.00 21.98 C ATOM 1128 O PRO A 95 22.978 45.371 3.957 1.00 22.98 O ATOM 1129 CB PRO A 95 24.864 44.648 1.778 1.00 24.23 C ATOM 1130 CG PRO A 95 25.044 45.598 0.633 1.00 24.66 C ATOM 1131 CD PRO A 95 24.103 45.032 -0.415 1.00 26.14 C ATOM 1132 HA PRO A 95 22.967 43.567 2.263 1.00 0.00 H ATOM 1133 HD3 PRO A 95 23.735 45.816 -1.078 1.00 0.00 H ATOM 1134 HD2 PRO A 95 24.593 44.258 -1.006 1.00 0.00 H ATOM 1135 HG3 PRO A 95 26.075 45.597 0.279 1.00 0.00 H ATOM 1136 HG2 PRO A 95 24.758 46.612 0.913 1.00 0.00 H ATOM 1137 HB2 PRO A 95 25.238 45.074 2.709 1.00 0.00 H ATOM 1138 HB3 PRO A 95 25.364 43.698 1.588 1.00 0.00 H ATOM 1139 N SER A 96 21.780 46.266 2.273 1.00 22.45 N ATOM 1140 CA SER A 96 21.146 47.242 3.140 1.00 22.31 C ATOM 1141 C SER A 96 20.702 46.696 4.500 1.00 22.46 C ATOM 1142 O SER A 96 21.015 47.292 5.550 1.00 22.20 O ATOM 1143 CB SER A 96 19.954 47.877 2.415 1.00 25.26 C ATOM 1144 OG SER A 96 19.688 49.127 2.989 1.00 31.46 O ATOM 1145 HA SER A 96 21.910 47.987 3.361 1.00 0.00 H ATOM 1146 HB2 SER A 96 19.079 47.234 2.515 1.00 0.00 H ATOM 1147 HB3 SER A 96 20.192 48.002 1.359 1.00 0.00 H ATOM 1148 HG SER A 96 20.485 49.707 2.897 1.00 0.00 H ATOM 1149 H SER A 96 21.522 46.219 1.267 1.00 0.00 H ATOM 1150 N PRO A 97 19.964 45.555 4.510 1.00 21.74 N ATOM 1151 CA PRO A 97 19.519 44.999 5.790 1.00 22.24 C ATOM 1152 C PRO A 97 20.694 44.639 6.703 1.00 21.62 C ATOM 1153 O PRO A 97 20.595 44.705 7.927 1.00 20.93 O ATOM 1154 CB PRO A 97 18.714 43.749 5.381 1.00 22.77 C ATOM 1155 CG PRO A 97 18.355 43.990 3.900 1.00 24.83 C ATOM 1156 CD PRO A 97 19.565 44.688 3.377 1.00 22.20 C ATOM 1157 HA PRO A 97 18.932 45.711 6.370 1.00 0.00 H ATOM 1158 HD3 PRO A 97 20.353 43.976 3.131 1.00 0.00 H ATOM 1159 HD2 PRO A 97 19.325 45.281 2.495 1.00 0.00 H ATOM 1160 HG3 PRO A 97 17.468 44.617 3.807 1.00 0.00 H ATOM 1161 HG2 PRO A 97 18.188 43.048 3.378 1.00 0.00 H ATOM 1162 HB2 PRO A 97 19.318 42.848 5.490 1.00 0.00 H ATOM 1163 HB3 PRO A 97 17.812 43.656 5.986 1.00 0.00 H ATOM 1164 N LEU A 98 21.804 44.211 6.101 1.00 22.67 N ATOM 1165 CA LEU A 98 22.986 43.830 6.861 1.00 22.78 C ATOM 1166 C LEU A 98 23.594 45.065 7.529 1.00 22.83 C ATOM 1167 O LEU A 98 23.904 45.069 8.731 1.00 21.09 O ATOM 1168 CB LEU A 98 24.002 43.169 5.916 1.00 24.77 C ATOM 1169 CG LEU A 98 25.356 42.879 6.558 1.00 28.28 C ATOM 1170 CD1 LEU A 98 25.212 41.698 7.532 1.00 28.15 C ATOM 1171 CD2 LEU A 98 26.360 42.555 5.456 1.00 27.68 C ATOM 1172 HA LEU A 98 22.712 43.119 7.640 1.00 0.00 H ATOM 1173 HB2 LEU A 98 23.581 42.227 5.565 1.00 0.00 H ATOM 1174 HB3 LEU A 98 24.161 43.833 5.066 1.00 0.00 H ATOM 1175 HG LEU A 98 25.710 43.746 7.117 1.00 0.00 H ATOM 1176 HD21 LEU A 98 26.018 41.682 4.900 1.00 0.00 H ATOM 1177 HD22 LEU A 98 26.444 43.407 4.781 1.00 0.00 H ATOM 1178 HD23 LEU A 98 27.332 42.346 5.902 1.00 0.00 H ATOM 1179 HD11 LEU A 98 24.487 41.953 8.305 1.00 0.00 H ATOM 1180 HD12 LEU A 98 24.869 40.819 6.987 1.00 0.00 H ATOM 1181 HD13 LEU A 98 26.178 41.488 7.992 1.00 0.00 H ATOM 1182 H LEU A 98 21.826 44.148 5.063 1.00 0.00 H ATOM 1183 N TYR A 99 23.794 46.120 6.740 1.00 20.39 N ATOM 1184 CA TYR A 99 24.335 47.369 7.269 1.00 21.56 C ATOM 1185 C TYR A 99 23.413 48.007 8.312 1.00 22.70 C ATOM 1186 O TYR A 99 23.882 48.634 9.266 1.00 21.53 O ATOM 1187 CB TYR A 99 24.578 48.384 6.149 1.00 22.04 C ATOM 1188 CG TYR A 99 25.524 47.931 5.037 1.00 20.78 C ATOM 1189 CD1 TYR A 99 26.555 46.986 5.265 1.00 22.91 C ATOM 1190 CD2 TYR A 99 25.437 48.505 3.765 1.00 23.06 C ATOM 1191 CE1 TYR A 99 27.473 46.630 4.239 1.00 23.96 C ATOM 1192 CE2 TYR A 99 26.347 48.167 2.744 1.00 23.29 C ATOM 1193 CZ TYR A 99 27.357 47.228 2.981 1.00 25.37 C ATOM 1194 OH TYR A 99 28.194 46.870 1.939 1.00 26.50 O ATOM 1195 HA TYR A 99 25.279 47.109 7.748 1.00 0.00 H ATOM 1196 HB3 TYR A 99 24.996 49.285 6.598 1.00 0.00 H ATOM 1197 HB2 TYR A 99 23.615 48.619 5.695 1.00 0.00 H ATOM 1198 HD2 TYR A 99 24.649 49.229 3.559 1.00 0.00 H ATOM 1199 HE2 TYR A 99 26.264 48.639 1.765 1.00 0.00 H ATOM 1200 HE1 TYR A 99 28.258 45.899 4.431 1.00 0.00 H ATOM 1201 HD1 TYR A 99 26.646 46.522 6.247 1.00 0.00 H ATOM 1202 HH TYR A 99 28.851 46.203 2.260 1.00 0.00 H ATOM 1203 H TYR A 99 23.561 46.053 5.729 1.00 0.00 H ATOM 1204 N ASP A 100 22.103 47.857 8.120 1.00 21.22 N ATOM 1205 CA ASP A 100 21.127 48.410 9.081 1.00 21.68 C ATOM 1206 C ASP A 100 21.300 47.647 10.425 1.00 21.56 C ATOM 1207 O ASP A 100 21.306 48.239 11.487 1.00 22.21 O ATOM 1208 CB ASP A 100 19.702 48.233 8.530 1.00 22.38 C ATOM 1209 CG ASP A 100 18.650 48.976 9.351 1.00 25.97 C ATOM 1210 OD1 ASP A 100 18.750 50.209 9.495 1.00 23.81 O ATOM 1211 OD2 ASP A 100 17.709 48.331 9.856 1.00 28.81 O ATOM 1212 HA ASP A 100 21.295 49.475 9.238 1.00 0.00 H ATOM 1213 HB2 ASP A 100 19.675 48.609 7.507 1.00 0.00 H ATOM 1214 HB3 ASP A 100 19.458 47.171 8.531 1.00 0.00 H ATOM 1215 H ASP A 100 21.763 47.343 7.282 1.00 0.00 H ATOM 1216 N MET A 101 21.431 46.329 10.371 1.00 21.78 N ATOM 1217 CA MET A 101 21.648 45.549 11.610 1.00 21.97 C ATOM 1218 C MET A 101 22.977 45.985 12.297 1.00 22.58 C ATOM 1219 O MET A 101 23.028 46.157 13.512 1.00 22.91 O ATOM 1220 CB MET A 101 21.663 44.047 11.282 1.00 24.37 C ATOM 1221 CG MET A 101 21.986 43.120 12.463 1.00 23.69 C ATOM 1222 SD MET A 101 23.749 42.979 12.940 1.00 29.24 S ATOM 1223 CE MET A 101 24.486 41.920 11.564 1.00 27.51 C ATOM 1224 HA MET A 101 20.831 45.743 12.305 1.00 0.00 H ATOM 1225 HB2 MET A 101 20.679 43.776 10.900 1.00 0.00 H ATOM 1226 HB3 MET A 101 22.411 43.879 10.507 1.00 0.00 H ATOM 1227 HG2 MET A 101 21.632 42.122 12.206 1.00 0.00 H ATOM 1228 HG3 MET A 101 21.437 43.486 13.331 1.00 0.00 H ATOM 1229 HE1 MET A 101 23.981 40.954 11.541 1.00 0.00 H ATOM 1230 HE2 MET A 101 24.352 42.425 10.607 1.00 0.00 H ATOM 1231 HE3 MET A 101 25.549 41.771 11.752 1.00 0.00 H ATOM 1232 H MET A 101 21.381 45.841 9.454 1.00 0.00 H ATOM 1233 N LEU A 102 24.045 46.183 11.523 1.00 22.27 N ATOM 1234 CA LEU A 102 25.304 46.615 12.091 1.00 21.79 C ATOM 1235 C LEU A 102 25.193 47.983 12.755 1.00 21.20 C ATOM 1236 O LEU A 102 25.715 48.165 13.855 1.00 22.12 O ATOM 1237 CB LEU A 102 26.420 46.615 11.031 1.00 20.26 C ATOM 1238 CG LEU A 102 26.824 45.236 10.490 1.00 23.48 C ATOM 1239 CD1 LEU A 102 27.847 45.380 9.391 1.00 22.72 C ATOM 1240 CD2 LEU A 102 27.392 44.370 11.612 1.00 25.07 C ATOM 1241 HA LEU A 102 25.566 45.896 12.867 1.00 0.00 H ATOM 1242 HB2 LEU A 102 26.083 47.220 10.189 1.00 0.00 H ATOM 1243 HB3 LEU A 102 27.304 47.073 11.475 1.00 0.00 H ATOM 1244 HG LEU A 102 25.934 44.754 10.085 1.00 0.00 H ATOM 1245 HD21 LEU A 102 28.270 44.857 12.036 1.00 0.00 H ATOM 1246 HD22 LEU A 102 26.637 44.241 12.387 1.00 0.00 H ATOM 1247 HD23 LEU A 102 27.673 43.396 11.211 1.00 0.00 H ATOM 1248 HD11 LEU A 102 27.424 45.971 8.578 1.00 0.00 H ATOM 1249 HD12 LEU A 102 28.732 45.881 9.784 1.00 0.00 H ATOM 1250 HD13 LEU A 102 28.121 44.392 9.020 1.00 0.00 H ATOM 1251 H LEU A 102 23.972 46.025 10.498 1.00 0.00 H ATOM 1252 N ARG A 103 24.514 48.951 12.113 1.00 21.45 N ATOM 1253 CA ARG A 103 24.369 50.282 12.725 1.00 20.09 C ATOM 1254 C ARG A 103 23.643 50.130 14.063 1.00 20.60 C ATOM 1255 O ARG A 103 23.900 50.875 14.978 1.00 17.24 O ATOM 1256 CB ARG A 103 23.535 51.215 11.824 1.00 20.48 C ATOM 1257 CG ARG A 103 23.174 52.572 12.415 1.00 23.82 C ATOM 1258 CD ARG A 103 21.761 52.597 13.044 1.00 22.41 C ATOM 1259 NE ARG A 103 20.692 52.583 12.026 1.00 23.63 N ATOM 1260 CZ ARG A 103 19.408 52.722 12.303 1.00 24.32 C ATOM 1261 NH1 ARG A 103 19.024 52.863 13.565 1.00 23.55 N ATOM 1262 NH2 ARG A 103 18.509 52.754 11.324 1.00 24.75 N ATOM 1263 HA ARG A 103 25.361 50.713 12.861 1.00 0.00 H ATOM 1264 HB2 ARG A 103 24.102 51.390 10.910 1.00 0.00 H ATOM 1265 HB3 ARG A 103 22.606 50.700 11.580 1.00 0.00 H ATOM 1266 HG2 ARG A 103 23.903 52.821 13.186 1.00 0.00 H ATOM 1267 HG3 ARG A 103 23.216 53.319 11.623 1.00 0.00 H ATOM 1268 HD2 ARG A 103 21.661 53.501 13.645 1.00 0.00 H ATOM 1269 HD3 ARG A 103 21.647 51.722 13.684 1.00 0.00 H ATOM 1270 HE ARG A 103 20.966 52.456 11.031 1.00 0.00 H ATOM 1271 HH12 ARG A 103 18.015 52.973 13.792 1.00 0.00 H ATOM 1272 HH11 ARG A 103 19.732 52.863 14.327 1.00 0.00 H ATOM 1273 HH22 ARG A 103 17.499 52.864 11.548 1.00 0.00 H ATOM 1274 HH21 ARG A 103 18.815 52.669 10.334 1.00 0.00 H ATOM 1275 H ARG A 103 24.091 48.759 11.183 1.00 0.00 H ATOM 1276 N LYS A 104 22.706 49.190 14.151 1.00 20.79 N ATOM 1277 CA LYS A 104 21.967 48.992 15.407 1.00 22.77 C ATOM 1278 C LYS A 104 22.706 48.174 16.490 1.00 23.63 C ATOM 1279 O LYS A 104 22.333 48.219 17.668 1.00 26.73 O ATOM 1280 CB LYS A 104 20.629 48.328 15.082 1.00 22.42 C ATOM 1281 CG LYS A 104 19.638 49.296 14.360 1.00 25.34 C ATOM 1282 CD LYS A 104 18.470 48.528 13.747 1.00 26.80 C ATOM 1283 CE LYS A 104 17.491 49.401 12.925 1.00 27.83 C ATOM 1284 NZ LYS A 104 16.432 48.502 12.315 1.00 29.21 N ATOM 1285 HA LYS A 104 21.841 49.983 15.844 1.00 0.00 H ATOM 1286 HB2 LYS A 104 20.813 47.470 14.436 1.00 0.00 H ATOM 1287 HB3 LYS A 104 20.172 47.990 16.012 1.00 0.00 H ATOM 1288 HG2 LYS A 104 19.252 50.015 15.083 1.00 0.00 H ATOM 1289 HG3 LYS A 104 20.170 49.826 13.570 1.00 0.00 H ATOM 1290 HD2 LYS A 104 18.875 47.759 13.090 1.00 0.00 H ATOM 1291 HD3 LYS A 104 17.910 48.056 14.555 1.00 0.00 H ATOM 1292 HE2 LYS A 104 18.035 49.917 12.134 1.00 0.00 H ATOM 1293 HE3 LYS A 104 17.018 50.135 13.577 1.00 0.00 H ATOM 1294 HZ1 LYS A 104 16.888 47.802 11.695 1.00 0.00 H ATOM 1295 HZ2 LYS A 104 15.917 48.011 13.073 1.00 0.00 H ATOM 1296 HZ3 LYS A 104 15.768 49.078 11.760 1.00 0.00 H ATOM 1297 H LYS A 104 22.495 48.592 13.327 1.00 0.00 H ATOM 1298 N ASN A 105 23.760 47.467 16.082 1.00 23.57 N ATOM 1299 CA ASN A 105 24.530 46.584 16.934 1.00 23.68 C ATOM 1300 C ASN A 105 26.023 46.821 17.068 1.00 24.45 C ATOM 1301 O ASN A 105 26.726 45.971 17.620 1.00 25.79 O ATOM 1302 CB ASN A 105 24.273 45.146 16.483 1.00 23.46 C ATOM 1303 CG ASN A 105 22.870 44.695 16.797 1.00 26.23 C ATOM 1304 OD1 ASN A 105 22.592 44.277 17.916 1.00 28.17 O ATOM 1305 ND2 ASN A 105 21.971 44.802 15.833 1.00 25.38 N ATOM 1306 HA ASN A 105 24.171 46.805 17.939 1.00 0.00 H ATOM 1307 HB2 ASN A 105 24.430 45.082 15.406 1.00 0.00 H ATOM 1308 HB3 ASN A 105 24.976 44.487 16.992 1.00 0.00 H ATOM 1309 HD22 ASN A 105 22.251 45.162 14.898 1.00 0.00 H ATOM 1310 HD21 ASN A 105 20.984 44.526 16.010 1.00 0.00 H ATOM 1311 H ASN A 105 24.048 47.555 15.087 1.00 0.00 H ATOM 1312 N LEU A 106 26.516 47.955 16.561 1.00 25.07 N ATOM 1313 CA LEU A 106 27.917 48.306 16.688 1.00 24.80 C ATOM 1314 C LEU A 106 27.979 49.696 17.302 1.00 26.44 C ATOM 1315 O LEU A 106 27.270 50.619 16.871 1.00 27.10 O ATOM 1316 CB LEU A 106 28.654 48.318 15.343 1.00 22.27 C ATOM 1317 CG LEU A 106 28.969 47.012 14.643 1.00 19.69 C ATOM 1318 CD1 LEU A 106 29.764 47.351 13.357 1.00 18.24 C ATOM 1319 CD2 LEU A 106 29.793 46.092 15.565 1.00 21.35 C ATOM 1320 HA LEU A 106 28.408 47.556 17.307 1.00 0.00 H ATOM 1321 HB2 LEU A 106 28.046 48.906 14.655 1.00 0.00 H ATOM 1322 HB3 LEU A 106 29.605 48.824 15.509 1.00 0.00 H ATOM 1323 HG LEU A 106 28.050 46.482 14.391 1.00 0.00 H ATOM 1324 HD21 LEU A 106 30.727 46.587 15.830 1.00 0.00 H ATOM 1325 HD22 LEU A 106 29.223 45.881 16.470 1.00 0.00 H ATOM 1326 HD23 LEU A 106 30.010 45.159 15.045 1.00 0.00 H ATOM 1327 HD11 LEU A 106 29.158 47.991 12.715 1.00 0.00 H ATOM 1328 HD12 LEU A 106 30.684 47.870 13.626 1.00 0.00 H ATOM 1329 HD13 LEU A 106 30.007 46.429 12.828 1.00 0.00 H ATOM 1330 H LEU A 106 25.876 48.605 16.061 1.00 0.00 H ATOM 1331 N VAL A 107 28.802 49.825 18.337 1.00 28.32 N ATOM 1332 CA VAL A 107 28.962 51.086 19.062 1.00 32.81 C ATOM 1333 C VAL A 107 30.397 51.609 18.914 1.00 34.93 C ATOM 1334 O VAL A 107 31.353 50.871 19.115 1.00 35.86 O ATOM 1335 CB VAL A 107 28.628 50.865 20.556 1.00 34.12 C ATOM 1336 CG1 VAL A 107 28.626 52.180 21.293 1.00 35.60 C ATOM 1337 CG2 VAL A 107 27.260 50.180 20.681 1.00 36.45 C ATOM 1338 HA VAL A 107 28.281 51.827 18.644 1.00 0.00 H ATOM 1339 HB VAL A 107 29.389 50.225 21.001 1.00 0.00 H ATOM 1340 HG11 VAL A 107 29.610 52.642 21.213 1.00 0.00 H ATOM 1341 HG12 VAL A 107 27.877 52.840 20.855 1.00 0.00 H ATOM 1342 HG13 VAL A 107 28.389 52.006 22.343 1.00 0.00 H ATOM 1343 HG21 VAL A 107 26.496 50.812 20.228 1.00 0.00 H ATOM 1344 HG22 VAL A 107 27.289 49.218 20.169 1.00 0.00 H ATOM 1345 HG23 VAL A 107 27.027 50.026 21.735 1.00 0.00 H ATOM 1346 H VAL A 107 29.354 48.998 18.644 1.00 0.00 H ATOM 1347 N THR A 108 30.557 52.876 18.555 1.00 38.31 N ATOM 1348 CA THR A 108 31.906 53.404 18.365 1.00 40.62 C ATOM 1349 C THR A 108 32.609 53.688 19.703 1.00 42.39 C ATOM 1350 O THR A 108 31.893 53.814 20.727 1.00 42.12 O ATOM 1351 CB THR A 108 31.888 54.689 17.489 1.00 42.05 C ATOM 1352 OG1 THR A 108 31.118 55.710 18.140 1.00 41.93 O ATOM 1353 CG2 THR A 108 31.260 54.401 16.133 1.00 42.35 C ATOM 1354 HA THR A 108 32.474 52.632 17.846 1.00 0.00 H ATOM 1355 HB THR A 108 32.917 55.022 17.351 1.00 0.00 H ATOM 1356 HG1 THR A 108 31.110 56.525 17.578 1.00 0.00 H ATOM 1357 HG23 THR A 108 31.834 53.626 15.625 1.00 0.00 H ATOM 1358 HG21 THR A 108 30.234 54.061 16.274 1.00 0.00 H ATOM 1359 HG22 THR A 108 31.263 55.310 15.532 1.00 0.00 H ATOM 1360 H THR A 108 29.729 53.488 18.410 1.00 0.00 H TER 1361 THR A 108 HETATM 1362 O HOH 1 20.680 52.089 9.033 1.00 22.10 O HETATM 1363 O HOH 2 39.524 41.547 19.565 1.00 42.04 O HETATM 1364 O HOH 3 39.569 42.942 23.650 1.00 33.13 O HETATM 1365 O HOH 4 27.202 43.771 -2.650 1.00 23.32 O HETATM 1366 O HOH 5 19.002 41.604 1.112 1.00 26.22 O HETATM 1367 O HOH 6 21.545 50.205 5.509 1.00 20.94 O HETATM 1368 O HOH 7 25.315 44.766 24.574 1.00 33.37 O HETATM 1369 O HOH 8 23.548 26.059 10.646 1.00 55.49 O HETATM 1370 O HOH 9 18.661 34.711 -10.096 1.00 46.30 O HETATM 1371 O HOH 10 24.352 31.588 16.753 1.00 32.06 O HETATM 1372 O HOH 11 24.175 24.711 1.437 1.00 40.56 O HETATM 1373 O HOH 12 23.022 36.125 19.068 1.00 26.65 O HETATM 1374 O HOH 13 18.375 26.306 10.950 1.00 54.93 O HETATM 1375 O HOH 14 26.334 44.781 -5.479 1.00 56.95 O HETATM 1376 O HOH 15 16.211 46.173 8.245 1.00 50.52 O HETATM 1377 O HOH 16 43.621 57.043 14.309 1.00 35.87 O HETATM 1378 O HOH 17 13.929 50.209 12.326 1.00 40.69 O HETATM 1379 O HOH 18 18.974 44.585 13.894 1.00 34.72 O HETATM 1380 O HOH 19 30.011 33.953 23.046 1.00 33.23 O HETATM 1381 O HOH 20 39.681 37.931 16.703 1.00 42.36 O HETATM 1382 O HOH 21 23.704 33.037 25.366 1.00 41.40 O HETATM 1383 O HOH 22 22.054 51.007 3.027 1.00 29.90 O HETATM 1384 O HOH 23 28.199 47.677 -1.171 1.00 32.19 O HETATM 1385 O HOH 24 21.683 36.138 21.580 1.00 29.89 O HETATM 1386 O HOH 25 25.867 23.273 -6.641 1.00 37.57 O HETATM 1387 O HOH 26 15.859 37.839 0.633 1.00 40.49 O HETATM 1388 O HOH 27 18.976 45.006 16.418 1.00 33.56 O HETATM 1389 O HOH 28 36.867 42.134 6.190 1.00 33.23 O HETATM 1390 O HOH 29 21.886 33.769 22.868 1.00 28.87 O HETATM 1391 O HOH 30 41.028 58.912 14.692 1.00 40.36 O HETATM 1392 O HOH 31 11.192 27.364 7.146 1.00 38.10 O HETATM 1393 O HOH 32 21.747 29.985 15.835 1.00 36.60 O HETATM 1394 O HOH 33 18.230 44.821 9.329 1.00 33.56 O HETATM 1395 O HOH 34 33.750 34.096 23.924 1.00 60.94 O HETATM 1396 O HOH 35 23.198 51.812 19.690 1.00 38.30 O HETATM 1397 O HOH 36 26.099 26.712 1.726 1.00 31.61 O HETATM 1398 O HOH 37 34.684 36.236 5.642 1.00 34.70 O HETATM 1399 O HOH 38 17.667 47.380 17.733 1.00 39.53 O HETATM 1400 O HOH 39 34.325 55.476 22.009 1.00 55.65 O HETATM 1401 O HOH 40 23.051 48.580 -0.778 1.00 51.88 O HETATM 1402 O HOH 41 18.023 45.522 11.970 1.00 35.64 O HETATM 1403 O HOH 42 37.328 35.896 23.085 1.00 42.38 O HETATM 1404 O HOH 43 20.833 52.367 16.290 1.00 35.39 O HETATM 1405 O HOH 44 19.752 46.486 19.808 1.00 48.78 O HETATM 1406 O HOH 45 36.404 38.925 4.389 1.00 40.12 O HETATM 1407 O HOH 46 14.564 34.896 11.506 1.00 38.37 O HETATM 1408 O HOH 47 20.878 37.004 17.682 1.00 34.26 O HETATM 1409 O HOH 48 15.723 42.072 15.808 1.00 51.36 O HETATM 1410 O HOH 49 20.789 47.127 -0.604 1.00 41.22 O HETATM 1411 O HOH 50 21.531 27.489 11.390 1.00 37.40 O HETATM 1412 O HOH 51 12.074 36.766 10.392 1.00 48.03 O HETATM 1413 O HOH 52 22.640 25.194 -0.691 1.00 25.91 O HETATM 1414 O HOH 53 39.291 33.454 10.910 1.00 42.44 O HETATM 1415 O HOH 54 24.560 50.950 17.494 1.00 34.86 O HETATM 1416 O HOH 55 25.995 22.275 1.437 1.00 35.82 O HETATM 1417 O HOH 56 29.294 32.499 20.810 1.00 44.81 O HETATM 1418 O HOH 57 22.577 37.680 23.281 1.00 38.96 O HETATM 1419 O HOH 58 30.337 45.943 -3.339 1.00 41.99 O HETATM 1420 O HOH 59 33.434 42.177 -8.113 1.00 36.83 O HETATM 1421 O HOH 60 35.720 46.375 1.564 1.00 46.77 O HETATM 1422 O HOH 61 25.934 34.804 -8.128 1.00 46.56 O HETATM 1423 O HOH 62 30.152 42.417 -5.668 1.00 45.57 O HETATM 1424 O HOH 63 32.253 30.956 -1.116 1.00 44.09 O HETATM 1425 O HOH 64 26.173 31.847 -7.157 1.00 36.90 O HETATM 1426 O HOH 65 35.500 32.750 -4.260 1.00 33.43 O HETATM 1427 O HOH 66 33.367 41.917 4.171 1.00 36.67 O HETATM 1428 O HOH 67 29.615 42.333 -3.179 1.00 35.88 O HETATM 1429 O HOH 68 25.804 36.463 -9.747 1.00 47.81 O HETATM 1430 O HOH 69 33.723 33.831 -7.785 1.00 30.75 O HETATM 1431 N GLU A 70 28.776 34.236 -9.222 1.00 0.24 N HETATM 1432 CA GLU A 70 29.989 34.338 -8.336 1.00 0.07 C HETATM 1433 C GLU A 70 29.799 33.522 -7.059 1.00 0.23 C HETATM 1434 O GLU A 70 28.681 33.138 -6.719 1.00 -0.39 O HETATM 1435 N GLU A 70 30.880 33.292 -6.334 1.00 -0.26 N HETATM 1436 CA GLU A 70 30.796 32.544 -5.099 1.00 0.16 C HETATM 1437 C GLU A 70 30.414 33.463 -3.930 1.00 0.21 C HETATM 1438 O GLU A 70 30.447 34.698 -4.041 1.00 -0.39 O HETATM 1439 N GLU A 70 30.060 32.842 -2.808 1.00 -0.26 N HETATM 1440 CA GLU A 70 29.727 33.607 -1.616 1.00 0.14 C HETATM 1441 C GLU A 70 30.928 34.477 -1.197 1.00 0.21 C HETATM 1442 O GLU A 70 30.787 35.669 -0.844 1.00 -0.39 O HETATM 1443 N GLU A 70 32.112 33.890 -1.200 1.00 -0.26 N HETATM 1444 CA GLU A 70 33.285 34.645 -0.807 1.00 0.13 C HETATM 1445 C GLU A 70 33.510 35.901 -1.696 1.00 0.20 C HETATM 1446 O GLU A 70 33.830 36.987 -1.205 1.00 -0.39 O HETATM 1447 N GLU A 70 33.307 35.753 -2.994 1.00 -0.26 N HETATM 1448 CA GLU A 70 33.499 36.858 -3.928 1.00 0.14 C HETATM 1449 C GLU A 70 32.580 38.030 -3.568 1.00 0.21 C HETATM 1450 O GLU A 70 33.025 39.176 -3.476 1.00 -0.39 O HETATM 1451 N GLU A 70 31.295 37.733 -3.395 1.00 -0.26 N HETATM 1452 CA GLU A 70 30.315 38.751 -3.025 1.00 0.14 C HETATM 1453 C GLU A 70 30.605 39.367 -1.662 1.00 0.21 C HETATM 1454 O GLU A 70 30.610 40.606 -1.502 1.00 -0.39 O HETATM 1455 N GLU A 70 30.846 38.518 -0.670 1.00 -0.26 N HETATM 1456 CA GLU A 70 31.079 39.019 0.685 1.00 0.14 C HETATM 1457 C GLU A 70 32.333 39.849 0.867 1.00 0.21 C HETATM 1458 O GLU A 70 32.309 40.902 1.555 1.00 -0.39 O HETATM 1459 N GLU A 70 33.430 39.382 0.270 1.00 -0.26 N HETATM 1460 CA GLU A 70 34.697 40.079 0.440 1.00 0.15 C HETATM 1461 C GLU A 70 34.651 41.491 -0.134 1.00 0.21 C HETATM 1462 O GLU A 70 35.482 42.312 0.205 1.00 -0.39 O HETATM 1463 N GLU A 70 33.689 41.773 -0.995 1.00 -0.26 N HETATM 1464 CA GLU A 70 33.657 43.101 -1.571 1.00 0.13 C HETATM 1465 C GLU A 70 32.597 44.036 -1.005 1.00 0.20 C HETATM 1466 O GLU A 70 32.354 45.121 -1.540 1.00 -0.39 O HETATM 1467 N GLU A 70 31.960 43.627 0.085 1.00 -0.26 N HETATM 1468 CA GLU A 70 30.974 44.519 0.720 1.00 0.13 C HETATM 1469 C GLU A 70 31.777 45.738 1.188 1.00 0.20 C HETATM 1470 O GLU A 70 32.865 45.575 1.687 1.00 -0.39 O HETATM 1471 N GLU A 70 31.230 46.937 1.066 1.00 -0.26 N HETATM 1472 CA GLU A 70 31.948 48.161 1.498 1.00 0.13 C HETATM 1473 C GLU A 70 33.127 48.558 0.609 1.00 0.20 C HETATM 1474 O GLU A 70 34.069 49.243 1.057 1.00 -0.39 O HETATM 1475 N GLU A 70 33.053 48.124 -0.649 1.00 -0.27 N HETATM 1476 CA GLU A 70 34.042 48.429 -1.682 1.00 0.12 C HETATM 1477 C GLU A 70 33.334 49.088 -2.858 1.00 0.06 C HETATM 1478 O GLU A 70 32.113 49.325 -2.738 1.00 -0.57 O HETATM 1479 OXT GLU A 70 34.001 49.371 -3.883 1.00 -0.57 O HETATM 1480 CB GLU A 70 34.759 47.172 -2.166 1.00 0.08 C HETATM 1481 OG GLU A 70 35.731 46.759 -1.205 1.00 -0.39 O HETATM 1482 H97 GLU A 70 35.299 46.573 -0.379 1.00 0.21 H HETATM 1483 H95 GLU A 70 35.260 47.385 -3.122 1.00 0.06 H HETATM 1484 H96 GLU A 70 34.024 46.366 -2.309 1.00 0.06 H HETATM 1485 H94 GLU A 70 34.787 49.124 -1.268 1.00 0.07 H HETATM 1486 H93 GLU A 70 32.272 47.554 -0.902 1.00 0.19 H HETATM 1487 CB GLU A 70 32.422 48.046 2.954 1.00 -0.01 C HETATM 1488 CG GLU A 70 31.263 47.868 3.964 1.00 -0.04 C HETATM 1489 CD1 GLU A 70 31.859 47.703 5.370 1.00 -0.06 C HETATM 1490 H87 GLU A 70 31.046 47.575 6.100 1.00 0.02 H HETATM 1491 H88 GLU A 70 32.445 48.597 5.627 1.00 0.02 H HETATM 1492 H89 GLU A 70 32.512 46.818 5.390 1.00 0.02 H HETATM 1493 CD2 GLU A 70 30.296 49.065 3.922 1.00 -0.06 C HETATM 1494 H90 GLU A 70 29.881 49.166 2.908 1.00 0.02 H HETATM 1495 H91 GLU A 70 30.838 49.984 4.189 1.00 0.02 H HETATM 1496 H92 GLU A 70 29.478 48.901 4.639 1.00 0.02 H HETATM 1497 H86 GLU A 70 30.702 46.958 3.704 1.00 0.03 H HETATM 1498 H84 GLU A 70 32.974 48.961 3.215 1.00 0.03 H HETATM 1499 H85 GLU A 70 33.092 47.178 3.035 1.00 0.03 H HETATM 1500 H83 GLU A 70 31.220 48.984 1.450 1.00 0.08 H HETATM 1501 H82 GLU A 70 30.314 47.020 0.674 1.00 0.19 H HETATM 1502 CB GLU A 70 30.388 43.858 1.963 1.00 -0.01 C HETATM 1503 CG GLU A 70 29.384 42.774 1.632 1.00 -0.04 C HETATM 1504 CD1 GLU A 70 28.907 42.193 2.909 1.00 -0.06 C HETATM 1505 H76 GLU A 70 28.174 41.400 2.700 1.00 0.02 H HETATM 1506 H77 GLU A 70 28.434 42.979 3.515 1.00 0.02 H HETATM 1507 H78 GLU A 70 29.759 41.768 3.460 1.00 0.02 H HETATM 1508 CD2 GLU A 70 28.246 43.329 0.764 1.00 -0.06 C HETATM 1509 H79 GLU A 70 28.663 43.744 -0.165 1.00 0.02 H HETATM 1510 H80 GLU A 70 27.718 44.121 1.315 1.00 0.02 H HETATM 1511 H81 GLU A 70 27.542 42.519 0.521 1.00 0.02 H HETATM 1512 H75 GLU A 70 29.890 41.984 1.058 1.00 0.03 H HETATM 1513 H73 GLU A 70 29.887 44.628 2.568 1.00 0.03 H HETATM 1514 H74 GLU A 70 31.209 43.412 2.544 1.00 0.03 H HETATM 1515 H72 GLU A 70 30.178 44.800 0.014 1.00 0.08 H HETATM 1516 H71 GLU A 70 32.147 42.724 0.471 1.00 0.19 H HETATM 1517 CB GLU A 70 33.556 42.963 -3.073 1.00 0.00 C HETATM 1518 CG GLU A 70 34.690 42.057 -3.568 1.00 0.04 C HETATM 1519 CD GLU A 70 34.953 42.252 -4.998 1.00 0.17 C HETATM 1520 OE1 GLU A 70 35.566 43.251 -5.390 1.00 -0.40 O HETATM 1521 NE2 GLU A 70 34.471 41.316 -5.823 1.00 -0.30 N HETATM 1522 H69 GLU A 70 34.618 41.395 -6.809 1.00 0.18 H HETATM 1523 H70 GLU A 70 33.963 40.538 -5.454 1.00 0.18 H HETATM 1524 H67 GLU A 70 34.409 41.007 -3.397 1.00 0.05 H HETATM 1525 H68 GLU A 70 35.605 42.288 -3.002 1.00 0.05 H HETATM 1526 H65 GLU A 70 33.645 43.954 -3.541 1.00 0.03 H HETATM 1527 H66 GLU A 70 32.586 42.518 -3.338 1.00 0.03 H HETATM 1528 H64 GLU A 70 34.627 43.569 -1.347 1.00 0.08 H HETATM 1529 H63 GLU A 70 33.003 41.089 -1.242 1.00 0.19 H HETATM 1530 CB GLU A 70 35.847 39.310 -0.230 1.00 0.08 C HETATM 1531 OG GLU A 70 35.649 39.280 -1.622 1.00 -0.39 O HETATM 1532 H62 GLU A 70 34.826 38.847 -1.814 1.00 0.21 H HETATM 1533 H60 GLU A 70 35.874 38.281 0.158 1.00 0.06 H HETATM 1534 H61 GLU A 70 36.801 39.811 -0.007 1.00 0.06 H HETATM 1535 H59 GLU A 70 34.904 40.149 1.518 1.00 0.08 H HETATM 1536 H58 GLU A 70 33.383 38.556 -0.292 1.00 0.19 H HETATM 1537 CB GLU A 70 31.143 37.871 1.709 1.00 0.00 C HETATM 1538 CG GLU A 70 31.104 38.359 3.144 1.00 -0.04 C HETATM 1539 CD1 GLU A 70 32.167 38.614 3.975 1.00 0.02 C HETATM 1540 NE1 GLU A 70 31.715 39.071 5.198 1.00 -0.29 N HETATM 1541 CE2 GLU A 70 30.343 39.119 5.173 1.00 0.06 C HETATM 1542 CD2 GLU A 70 29.922 38.677 3.897 1.00 -0.02 C HETATM 1543 CE3 GLU A 70 28.546 38.635 3.611 1.00 -0.07 C HETATM 1544 CZ3 GLU A 70 27.646 39.021 4.598 1.00 -0.08 C HETATM 1545 CH2 GLU A 70 28.098 39.456 5.866 1.00 -0.08 C HETATM 1546 CZ2 GLU A 70 29.433 39.512 6.170 1.00 -0.04 C HETATM 1547 H55 GLU A 70 29.775 39.847 7.143 1.00 0.05 H HETATM 1548 H57 GLU A 70 27.372 39.752 6.614 1.00 0.05 H HETATM 1549 H56 GLU A 70 26.582 38.988 4.393 1.00 0.05 H HETATM 1550 H54 GLU A 70 28.194 38.308 2.639 1.00 0.05 H HETATM 1551 H53 GLU A 70 32.310 39.333 5.997 1.00 0.22 H HETATM 1552 H52 GLU A 70 33.214 38.476 3.709 1.00 0.08 H HETATM 1553 H50 GLU A 70 32.078 37.313 1.553 1.00 0.04 H HETATM 1554 H51 GLU A 70 30.285 37.203 1.542 1.00 0.04 H HETATM 1555 H49 GLU A 70 30.220 39.658 0.936 1.00 0.08 H HETATM 1556 H48 GLU A 70 30.868 37.534 -0.849 1.00 0.19 H HETATM 1557 CB GLU A 70 28.906 38.156 -2.952 1.00 0.00 C HETATM 1558 CG GLU A 70 28.346 37.762 -4.253 1.00 -0.04 C HETATM 1559 CD1 GLU A 70 28.239 36.491 -4.762 1.00 0.02 C HETATM 1560 NE1 GLU A 70 27.583 36.523 -5.977 1.00 -0.29 N HETATM 1561 CE2 GLU A 70 27.268 37.823 -6.274 1.00 0.06 C HETATM 1562 CD2 GLU A 70 27.734 38.631 -5.203 1.00 -0.02 C HETATM 1563 CE3 GLU A 70 27.530 40.021 -5.257 1.00 -0.07 C HETATM 1564 CZ3 GLU A 70 26.869 40.554 -6.355 1.00 -0.08 C HETATM 1565 CH2 GLU A 70 26.415 39.724 -7.406 1.00 -0.08 C HETATM 1566 CZ2 GLU A 70 26.600 38.359 -7.379 1.00 -0.04 C HETATM 1567 H45 GLU A 70 26.242 37.726 -8.183 1.00 0.05 H HETATM 1568 H47 GLU A 70 25.909 40.172 -8.253 1.00 0.05 H HETATM 1569 H46 GLU A 70 26.698 41.623 -6.408 1.00 0.05 H HETATM 1570 H44 GLU A 70 27.882 40.663 -4.458 1.00 0.05 H HETATM 1571 H43 GLU A 70 27.366 35.704 -6.563 1.00 0.22 H HETATM 1572 H42 GLU A 70 28.616 35.591 -4.279 1.00 0.08 H HETATM 1573 H40 GLU A 70 28.238 38.906 -2.503 1.00 0.04 H HETATM 1574 H41 GLU A 70 28.942 37.265 -2.308 1.00 0.04 H HETATM 1575 H39 GLU A 70 30.337 39.543 -3.788 1.00 0.08 H HETATM 1576 H38 GLU A 70 30.992 36.788 -3.522 1.00 0.19 H HETATM 1577 CB GLU A 70 33.212 36.374 -5.355 1.00 0.01 C HETATM 1578 CG GLU A 70 33.327 37.443 -6.401 1.00 -0.00 C HETATM 1579 ND1 GLU A 70 34.433 37.580 -7.210 1.00 -0.33 N HETATM 1580 CE1 GLU A 70 34.258 38.604 -8.028 1.00 0.09 C HETATM 1581 NE2 GLU A 70 33.079 39.137 -7.778 1.00 -0.28 N HETATM 1582 CD2 GLU A 70 32.474 38.427 -6.768 1.00 0.03 C HETATM 1583 H35 GLU A 70 31.491 38.621 -6.342 1.00 0.07 H HETATM 1584 H37 GLU A 70 32.676 39.953 -8.261 1.00 0.24 H HETATM 1585 H36 GLU A 70 34.967 38.948 -8.780 1.00 0.12 H HETATM 1586 H33 GLU A 70 32.189 35.972 -5.384 1.00 0.04 H HETATM 1587 H34 GLU A 70 33.927 35.575 -5.599 1.00 0.04 H HETATM 1588 H32 GLU A 70 34.544 37.197 -3.869 1.00 0.08 H HETATM 1589 H31 GLU A 70 33.015 34.863 -3.344 1.00 0.19 H HETATM 1590 CB GLU A 70 34.507 33.719 -0.846 1.00 -0.00 C HETATM 1591 CG GLU A 70 35.820 34.389 -0.511 1.00 0.00 C HETATM 1592 CD GLU A 70 36.415 35.167 -1.691 1.00 0.04 C HETATM 1593 OE1 GLU A 70 36.312 34.698 -2.854 1.00 -0.57 O HETATM 1594 OE2 GLU A 70 37.003 36.247 -1.452 1.00 -0.57 O HETATM 1595 H29 GLU A 70 36.539 33.616 -0.203 1.00 0.04 H HETATM 1596 H30 GLU A 70 35.654 35.088 0.322 1.00 0.04 H HETATM 1597 H27 GLU A 70 34.586 33.299 -1.859 1.00 0.03 H HETATM 1598 H28 GLU A 70 34.343 32.906 -0.123 1.00 0.03 H HETATM 1599 H26 GLU A 70 33.141 34.988 0.228 1.00 0.08 H HETATM 1600 H25 GLU A 70 32.198 32.931 -1.472 1.00 0.19 H HETATM 1601 CB GLU A 70 29.372 32.681 -0.444 1.00 0.02 C HETATM 1602 CG GLU A 70 29.204 33.427 0.858 1.00 -0.04 C HETATM 1603 CD1 GLU A 70 28.045 34.187 1.101 1.00 -0.06 C HETATM 1604 CE1 GLU A 70 27.935 34.968 2.276 1.00 -0.07 C HETATM 1605 CZ GLU A 70 28.976 34.979 3.194 1.00 -0.07 C HETATM 1606 CE2 GLU A 70 30.126 34.223 2.959 1.00 -0.07 C HETATM 1607 CD2 GLU A 70 30.232 33.452 1.793 1.00 -0.06 C HETATM 1608 H21 GLU A 70 31.128 32.867 1.618 1.00 0.06 H HETATM 1609 H23 GLU A 70 30.937 34.232 3.678 1.00 0.06 H HETATM 1610 H24 GLU A 70 28.896 35.576 4.095 1.00 0.06 H HETATM 1611 H22 GLU A 70 27.042 35.555 2.458 1.00 0.06 H HETATM 1612 H20 GLU A 70 27.232 34.174 0.384 1.00 0.06 H HETATM 1613 H18 GLU A 70 30.177 31.941 -0.324 1.00 0.05 H HETATM 1614 H19 GLU A 70 28.430 32.164 -0.677 1.00 0.05 H HETATM 1615 H17 GLU A 70 28.866 34.255 -1.838 1.00 0.08 H HETATM 1616 H16 GLU A 70 30.023 31.843 -2.784 1.00 0.19 H HETATM 1617 CB GLU A 70 32.115 31.971 -4.732 1.00 0.09 C HETATM 1618 OG1 GLU A 70 32.997 33.049 -4.410 1.00 -0.39 O HETATM 1619 H12 GLU A 70 33.848 32.700 -4.172 1.00 0.21 H HETATM 1620 CG2 GLU A 70 32.696 31.165 -5.899 1.00 -0.03 C HETATM 1621 H13 GLU A 70 33.672 30.749 -5.608 1.00 0.03 H HETATM 1622 H14 GLU A 70 32.823 31.823 -6.771 1.00 0.03 H HETATM 1623 H15 GLU A 70 32.010 30.344 -6.155 1.00 0.03 H HETATM 1624 H11 GLU A 70 31.999 31.312 -3.858 1.00 0.06 H HETATM 1625 H10 GLU A 70 30.052 31.742 -5.213 1.00 0.08 H HETATM 1626 H9 GLU A 70 31.766 33.639 -6.643 1.00 0.19 H HETATM 1627 CB GLU A 70 30.213 35.795 -7.938 1.00 0.02 C HETATM 1628 CG GLU A 70 30.458 36.741 -9.100 1.00 0.01 C HETATM 1629 CD GLU A 70 31.750 36.424 -9.867 1.00 0.04 C HETATM 1630 OE1 GLU A 70 32.673 35.809 -9.297 1.00 -0.57 O HETATM 1631 OE2 GLU A 70 31.840 36.815 -11.046 1.00 -0.57 O HETATM 1632 H7 GLU A 70 30.525 37.767 -8.709 1.00 0.04 H HETATM 1633 H8 GLU A 70 29.610 36.668 -9.796 1.00 0.04 H HETATM 1634 H5 GLU A 70 31.087 35.837 -7.272 1.00 0.04 H HETATM 1635 H6 GLU A 70 29.322 36.143 -7.396 1.00 0.04 H HETATM 1636 H4 GLU A 70 30.867 33.964 -8.883 1.00 0.11 H HETATM 1637 H1 GLU A 70 28.923 34.781 -10.057 1.00 0.20 H HETATM 1638 H2 GLU A 70 27.970 34.587 -8.729 1.00 0.20 H HETATM 1639 H3 GLU A 70 28.623 33.272 -9.473 1.00 0.20 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1431 1432 1637 1638 1639 CONECT 1432 1431 1433 1627 1636 CONECT 1433 1432 1434 1435 CONECT 1434 1433 CONECT 1435 1433 1436 1626 CONECT 1436 1435 1437 1617 1625 CONECT 1437 1436 1438 1439 CONECT 1438 1437 CONECT 1439 1437 1440 1616 CONECT 1440 1439 1441 1601 1615 CONECT 1441 1440 1442 1443 CONECT 1442 1441 CONECT 1443 1441 1444 1600 CONECT 1444 1443 1445 1590 1599 CONECT 1445 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 1448 1589 CONECT 1448 1447 1449 1577 1588 CONECT 1449 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1576 CONECT 1452 1451 1453 1557 1575 CONECT 1453 1452 1454 1455 CONECT 1454 1453 CONECT 1455 1453 1456 1556 CONECT 1456 1455 1457 1537 1555 CONECT 1457 1456 1458 1459 CONECT 1458 1457 CONECT 1459 1457 1460 1536 CONECT 1460 1459 1461 1530 1535 CONECT 1461 1460 1462 1463 CONECT 1462 1461 CONECT 1463 1461 1464 1529 CONECT 1464 1463 1465 1517 1528 CONECT 1465 1464 1466 1467 CONECT 1466 1465 CONECT 1467 1465 1468 1516 CONECT 1468 1467 1469 1502 1515 CONECT 1469 1468 1470 1471 CONECT 1470 1469 CONECT 1471 1469 1472 1501 CONECT 1472 1471 1473 1487 1500 CONECT 1473 1472 1474 1475 CONECT 1474 1473 CONECT 1475 1473 1476 1486 CONECT 1476 1475 1477 1480 1485 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1476 1481 1483 1484 CONECT 1481 1480 1482 CONECT 1482 1481 CONECT 1483 1480 CONECT 1484 1480 CONECT 1485 1476 CONECT 1486 1475 CONECT 1487 1472 1488 1498 1499 CONECT 1488 1487 1489 1493 1497 CONECT 1489 1488 1490 1491 1492 CONECT 1490 1489 CONECT 1491 1489 CONECT 1492 1489 CONECT 1493 1488 1494 1495 1496 CONECT 1494 1493 CONECT 1495 1493 CONECT 1496 1493 CONECT 1497 1488 CONECT 1498 1487 CONECT 1499 1487 CONECT 1500 1472 CONECT 1501 1471 CONECT 1502 1468 1503 1513 1514 CONECT 1503 1502 1504 1508 1512 CONECT 1504 1503 1505 1506 1507 CONECT 1505 1504 CONECT 1506 1504 CONECT 1507 1504 CONECT 1508 1503 1509 1510 1511 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1508 CONECT 1512 1503 CONECT 1513 1502 CONECT 1514 1502 CONECT 1515 1468 CONECT 1516 1467 CONECT 1517 1464 1518 1526 1527 CONECT 1518 1517 1519 1524 1525 CONECT 1519 1518 1520 1521 CONECT 1520 1519 CONECT 1521 1519 1522 1523 CONECT 1522 1521 CONECT 1523 1521 CONECT 1524 1518 CONECT 1525 1518 CONECT 1526 1517 CONECT 1527 1517 CONECT 1528 1464 CONECT 1529 1463 CONECT 1530 1460 1531 1533 1534 CONECT 1531 1530 1532 CONECT 1532 1531 CONECT 1533 1530 CONECT 1534 1530 CONECT 1535 1460 CONECT 1536 1459 CONECT 1537 1456 1538 1553 1554 CONECT 1538 1537 1539 1542 CONECT 1539 1538 1540 1552 CONECT 1540 1539 1541 1551 CONECT 1541 1540 1542 1546 CONECT 1542 1538 1541 1543 CONECT 1543 1542 1544 1550 CONECT 1544 1543 1545 1549 CONECT 1545 1544 1546 1548 CONECT 1546 1541 1545 1547 CONECT 1547 1546 CONECT 1548 1545 CONECT 1549 1544 CONECT 1550 1543 CONECT 1551 1540 CONECT 1552 1539 CONECT 1553 1537 CONECT 1554 1537 CONECT 1555 1456 CONECT 1556 1455 CONECT 1557 1452 1558 1573 1574 CONECT 1558 1557 1559 1562 CONECT 1559 1558 1560 1572 CONECT 1560 1559 1561 1571 CONECT 1561 1560 1562 1566 CONECT 1562 1558 1561 1563 CONECT 1563 1562 1564 1570 CONECT 1564 1563 1565 1569 CONECT 1565 1564 1566 1568 CONECT 1566 1561 1565 1567 CONECT 1567 1566 CONECT 1568 1565 CONECT 1569 1564 CONECT 1570 1563 CONECT 1571 1560 CONECT 1572 1559 CONECT 1573 1557 CONECT 1574 1557 CONECT 1575 1452 CONECT 1576 1451 CONECT 1577 1448 1578 1586 1587 CONECT 1578 1577 1579 1582 CONECT 1579 1578 1580 CONECT 1580 1579 1581 1585 CONECT 1581 1580 1582 1584 CONECT 1582 1578 1581 1583 CONECT 1583 1582 CONECT 1584 1581 CONECT 1585 1580 CONECT 1586 1577 CONECT 1587 1577 CONECT 1588 1448 CONECT 1589 1447 CONECT 1590 1444 1591 1597 1598 CONECT 1591 1590 1592 1595 1596 CONECT 1592 1591 1593 1594 CONECT 1593 1592 CONECT 1594 1592 CONECT 1595 1591 CONECT 1596 1591 CONECT 1597 1590 CONECT 1598 1590 CONECT 1599 1444 CONECT 1600 1443 CONECT 1601 1440 1602 1613 1614 CONECT 1602 1601 1603 1607 CONECT 1603 1602 1604 1612 CONECT 1604 1603 1605 1611 CONECT 1605 1604 1606 1610 CONECT 1606 1605 1607 1609 CONECT 1607 1602 1606 1608 CONECT 1608 1607 CONECT 1609 1606 CONECT 1610 1605 CONECT 1611 1604 CONECT 1612 1603 CONECT 1613 1601 CONECT 1614 1601 CONECT 1615 1440 CONECT 1616 1439 CONECT 1617 1436 1618 1620 1624 CONECT 1618 1617 1619 CONECT 1619 1618 CONECT 1620 1617 1621 1622 1623 CONECT 1621 1620 CONECT 1622 1620 CONECT 1623 1620 CONECT 1624 1617 CONECT 1625 1436 CONECT 1626 1435 CONECT 1627 1432 1628 1634 1635 CONECT 1628 1627 1629 1632 1633 CONECT 1629 1628 1630 1631 CONECT 1630 1629 CONECT 1631 1629 CONECT 1632 1628 CONECT 1633 1628 CONECT 1634 1627 CONECT 1635 1627 CONECT 1636 1432 CONECT 1637 1431 CONECT 1638 1431 CONECT 1639 1431 MASTER 0 0 0 0 0 0 0 0 1638 1 213 7 END
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
12-mer
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RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
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RCSB PDB
PDBbind
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PDBbind
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Entry Information
PDB ID
3jzq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Human Protein Mdm4
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=110nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) J.Biol.Chem. Vol. 285: pp. 2174-2183
Ligand Properties
Formula
C
7
4
H
1
0
0
N
1
7
O
2
1
Molecular Weight
1563.690
Exact Mass
1562.730
No. of atoms
212
No. of bonds
217
Polar Surface Area
623.68
LOGP Value
0.51 (
Computed with XLOGP3
)
1.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 58
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 6
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(C)C)CC(C)C)CCC(=O)N)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)O)[NH3+])Cc1ccccc1)CCC(=O)O)Cc1nc[nH]c1
InChI String
InChI=1S/C74H99N17O21/c1-37(2)25-51(66(103)84-52(26-38(3)4)67(104)90-58(35-93)74(111)112)83-64(101)49(20-22-59(76)95)82-72(109)57(34-92)89-70(107)55(29-42-32-79-48-18-12-10-16-45(42)48)85-69(106)54(28-41-31-78-47-17-11-9-15-44(41)47)86-71(108)56(30-43-33-77-36-80-43)87-65(102)50(21-24-61(98)99)81-68(105)53(27-40-13-7-6-8-14-40)88-73(110)62(39(5)94)91-63(100)46(75)19-23-60(96)97/h6-18,31-33,36-39,46,49-58,62,78-79,92-94H,19-30,34-35,75H2,1-5H3,(H2,76,95)(H,77,80)(H,81,105)(H,82,109)(H,83,101)(H,84,103)(H,85,106)(H,86,108)(H,87,102)(H,88,110)(H,89,107)(H,90,104)(H,91,100)(H,96,97)(H,98,99)(H,111,112)/p+1/t39-,46+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,62+/m1/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):
O15151
Entrez Gene ID
NCBI Entrez Gene ID:
4194
ASD
Information of known allosteric effects of PDB entries
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