Browse entries in the PDBbind-CN Database
HEADER 4P6E_COMPLEX COMPND 4P6E_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 219 ILE LEU PRO ASP SER VAL ASP TRP ARG GLU LYS GLY CYS SEQRES 2 A 219 VAL THR GLU VAL LYS TYR GLN GLY SER CYS GLY ALA CYS SEQRES 3 A 219 TRP ALA PHE SER ALA VAL GLY ALA LEU GLU ALA GLN LEU SEQRES 4 A 219 LYS LEU LYS THR GLY LYS LEU VAL SER LEU SER ALA GLN SEQRES 5 A 219 ASN LEU VAL ASP CYS SER THR GLU LYS TYR GLY ASN LYS SEQRES 6 A 219 GLY CYS ASN GLY GLY PHE MET THR THR ALA PHE GLN TYR SEQRES 7 A 219 ILE ILE ASP ASN LYS GLY ILE ASP SER ASP ALA SER TYR SEQRES 8 A 219 PRO TYR LYS ALA MET ASP GLN LYS CYS GLN TYR ASP SER SEQRES 9 A 219 LYS TYR ARG ALA ALA THR CYS SER LYS TYR THR GLU LEU SEQRES 10 A 219 PRO TYR GLY ARG GLU ASP VAL LEU LYS GLU ALA VAL ALA SEQRES 11 A 219 ASN LYS GLY PRO VAL SER VAL GLY VAL ASP ALA ARG HIS SEQRES 12 A 219 PRO SER PHE PHE LEU TYR ARG SER GLY VAL TYR TYR GLU SEQRES 13 A 219 PRO SER CYS THR GLN ASN VAL ASN HIS GLY VAL LEU VAL SEQRES 14 A 219 VAL GLY TYR GLY ASP LEU ASN GLY LYS GLU TYR TRP LEU SEQRES 15 A 219 VAL LYS ASN SER TRP GLY HIS ASN PHE GLY GLU GLU GLY SEQRES 16 A 219 TYR ILE ARG MET ALA ARG ASN LYS GLY ASN HIS CYS GLY SEQRES 17 A 219 ILE ALA SER PHE PRO SER TYR PRO GLU ILE GLU HET UNN A 428 58 SSBOND 1 CYS A 22 CYS A 66 SSBOND 2 CYS A 56 CYS A 99 SSBOND 3 CYS A 158 CYS A 206 ATOM 1 N ILE A 0 2.592 8.217 18.369 1.00 61.10 N ATOM 2 CA ILE A 0 2.575 8.410 16.881 1.00 59.51 C ATOM 3 C ILE A 0 2.381 9.899 16.574 1.00 53.84 C ATOM 4 O ILE A 0 1.447 10.525 17.094 1.00 52.13 O ATOM 5 CB ILE A 0 1.478 7.543 16.190 1.00 62.77 C ATOM 6 CG1 ILE A 0 1.587 7.642 14.662 1.00 62.67 C ATOM 7 CG2 ILE A 0 0.065 7.938 16.643 1.00 62.27 C ATOM 8 CD1 ILE A 0 1.046 6.437 13.921 1.00 64.71 C ATOM 9 HN3 ILE A 0 1.690 8.544 18.770 1.00 0.00 H ATOM 10 HN2 ILE A 0 3.374 8.765 18.780 1.00 0.00 H ATOM 11 HN1 ILE A 0 2.723 7.208 18.585 1.00 0.00 H ATOM 12 N LEU A 1 3.281 10.474 15.768 1.00 47.17 N ATOM 13 CA LEU A 1 3.200 11.902 15.460 1.00 42.34 C ATOM 14 C LEU A 1 2.195 12.115 14.343 1.00 38.22 C ATOM 15 O LEU A 1 2.106 11.307 13.434 1.00 38.42 O ATOM 16 CB LEU A 1 4.562 12.483 15.026 1.00 40.50 C ATOM 17 CG LEU A 1 5.682 12.368 16.055 1.00 39.79 C ATOM 18 CD1 LEU A 1 6.981 12.894 15.471 1.00 41.27 C ATOM 19 CD2 LEU A 1 5.344 13.098 17.350 1.00 39.11 C ATOM 20 H LEU A 1 4.045 9.901 15.357 1.00 0.00 H ATOM 21 N PRO A 2 1.487 13.241 14.379 1.00 35.75 N ATOM 22 CA PRO A 2 0.614 13.561 13.255 1.00 35.09 C ATOM 23 C PRO A 2 1.406 13.722 11.968 1.00 34.77 C ATOM 24 O PRO A 2 2.551 14.188 12.005 1.00 33.92 O ATOM 25 CB PRO A 2 -0.027 14.895 13.645 1.00 35.78 C ATOM 26 CG PRO A 2 0.651 15.353 14.891 1.00 36.80 C ATOM 27 CD PRO A 2 1.523 14.278 15.418 1.00 35.29 C ATOM 28 N ASP A 3 0.790 13.354 10.843 1.00 34.49 N ATOM 29 CA ASP A 3 1.417 13.499 9.534 1.00 34.35 C ATOM 30 C ASP A 3 1.622 14.962 9.131 1.00 31.53 C ATOM 31 O ASP A 3 2.484 15.253 8.304 1.00 31.51 O ATOM 32 CB ASP A 3 0.586 12.807 8.443 1.00 40.49 C ATOM 33 CG ASP A 3 0.642 11.279 8.524 1.00 41.82 C ATOM 34 OD1 ASP A 3 1.524 10.730 9.204 1.00 41.74 O ATOM 35 OD2 ASP A 3 -0.191 10.625 7.867 1.00 48.31 O ATOM 36 H ASP A 3 -0.167 12.951 10.901 1.00 0.00 H ATOM 37 N SER A 4 0.798 15.861 9.664 1.00 29.39 N ATOM 38 CA SER A 4 0.954 17.287 9.412 1.00 29.84 C ATOM 39 C SER A 4 0.552 18.086 10.620 1.00 29.86 C ATOM 40 O SER A 4 -0.313 17.676 11.378 1.00 29.12 O ATOM 41 CB SER A 4 0.130 17.737 8.217 1.00 31.54 C ATOM 42 OG SER A 4 -1.226 17.489 8.478 1.00 32.13 O ATOM 43 HG SER A 4 -1.360 16.520 8.631 1.00 0.00 H ATOM 44 H SER A 4 0.022 15.537 10.276 1.00 0.00 H ATOM 45 N VAL A 5 1.177 19.248 10.760 1.00 28.67 N ATOM 46 CA VAL A 5 0.924 20.173 11.852 1.00 28.75 C ATOM 47 C VAL A 5 0.916 21.570 11.248 1.00 26.90 C ATOM 48 O VAL A 5 1.706 21.858 10.344 1.00 25.45 O ATOM 49 CB VAL A 5 2.020 20.049 12.939 1.00 28.56 C ATOM 50 CG1 VAL A 5 1.924 21.172 13.962 1.00 28.51 C ATOM 51 CG2 VAL A 5 1.944 18.679 13.627 1.00 30.18 C ATOM 52 H VAL A 5 1.888 19.512 10.048 1.00 0.00 H ATOM 53 N ASP A 6 -0.006 22.411 11.698 1.00 27.56 N ATOM 54 CA ASP A 6 -0.016 23.841 11.349 1.00 27.84 C ATOM 55 C ASP A 6 -0.479 24.627 12.570 1.00 29.46 C ATOM 56 O ASP A 6 -1.682 24.682 12.874 1.00 27.25 O ATOM 57 CB ASP A 6 -0.904 24.121 10.111 1.00 29.34 C ATOM 58 CG ASP A 6 -0.827 25.587 9.621 1.00 30.24 C ATOM 59 OD1 ASP A 6 -0.390 26.471 10.379 1.00 30.35 O ATOM 60 OD2 ASP A 6 -1.229 25.854 8.463 1.00 31.04 O ATOM 61 H ASP A 6 -0.752 22.045 12.323 1.00 0.00 H ATOM 62 N TRP A 7 0.479 25.243 13.273 1.00 26.42 N ATOM 63 CA TRP A 7 0.166 25.964 14.505 1.00 26.79 C ATOM 64 C TRP A 7 -0.692 27.206 14.289 1.00 27.26 C ATOM 65 O TRP A 7 -1.268 27.742 15.250 1.00 25.74 O ATOM 66 CB TRP A 7 1.457 26.306 15.272 1.00 27.61 C ATOM 67 CG TRP A 7 1.981 25.113 15.979 1.00 27.61 C ATOM 68 CD1 TRP A 7 3.012 24.306 15.590 1.00 27.36 C ATOM 69 CD2 TRP A 7 1.490 24.566 17.213 1.00 29.35 C ATOM 70 NE1 TRP A 7 3.194 23.299 16.505 1.00 28.57 N ATOM 71 CE2 TRP A 7 2.259 23.422 17.494 1.00 28.50 C ATOM 72 CE3 TRP A 7 0.463 24.928 18.096 1.00 30.68 C ATOM 73 CZ2 TRP A 7 2.053 22.639 18.628 1.00 32.39 C ATOM 74 CZ3 TRP A 7 0.259 24.145 19.238 1.00 32.93 C ATOM 75 CH2 TRP A 7 1.053 23.012 19.487 1.00 32.99 C ATOM 76 HE1 TRP A 7 3.925 22.561 16.454 1.00 0.00 H ATOM 77 H TRP A 7 1.463 25.208 12.937 1.00 0.00 H ATOM 78 N ARG A 8 -0.796 27.666 13.039 1.00 27.18 N ATOM 79 CA ARG A 8 -1.707 28.773 12.728 1.00 30.62 C ATOM 80 C ARG A 8 -3.155 28.357 12.969 1.00 33.15 C ATOM 81 O ARG A 8 -3.961 29.171 13.435 1.00 34.54 O ATOM 82 CB ARG A 8 -1.542 29.260 11.297 1.00 31.12 C ATOM 83 CG ARG A 8 -0.164 29.787 10.976 1.00 30.02 C ATOM 84 CD ARG A 8 -0.023 30.129 9.483 1.00 32.19 C ATOM 85 NE ARG A 8 -0.238 28.977 8.618 1.00 30.83 N ATOM 86 CZ ARG A 8 -0.176 29.002 7.291 1.00 30.59 C ATOM 87 NH1 ARG A 8 0.090 30.131 6.649 1.00 33.36 N ATOM 88 NH2 ARG A 8 -0.363 27.888 6.618 1.00 31.86 N ATOM 89 HE ARG A 8 -0.456 28.068 9.073 1.00 0.00 H ATOM 90 HH12 ARG A 8 0.136 30.140 5.610 1.00 0.00 H ATOM 91 HH11 ARG A 8 0.252 31.008 7.184 1.00 0.00 H ATOM 92 HH22 ARG A 8 -0.317 27.894 5.579 1.00 0.00 H ATOM 93 HH21 ARG A 8 -0.557 27.001 7.125 1.00 0.00 H ATOM 94 H ARG A 8 -0.227 27.236 12.281 1.00 0.00 H ATOM 95 N GLU A 9 -3.468 27.091 12.730 1.00 35.21 N ATOM 96 CA GLU A 9 -4.815 26.558 12.975 1.00 39.43 C ATOM 97 C GLU A 9 -5.200 26.542 14.446 1.00 40.32 C ATOM 98 O GLU A 9 -6.388 26.518 14.763 1.00 40.19 O ATOM 99 CB GLU A 9 -4.930 25.124 12.466 1.00 42.11 C ATOM 100 CG GLU A 9 -4.819 24.989 10.972 1.00 46.24 C ATOM 101 CD GLU A 9 -4.822 23.532 10.517 1.00 48.86 C ATOM 102 OE1 GLU A 9 -4.790 22.600 11.363 1.00 50.76 O ATOM 103 OE2 GLU A 9 -4.832 23.326 9.298 1.00 52.30 O ATOM 104 H GLU A 9 -2.736 26.454 12.357 1.00 0.00 H ATOM 105 N LYS A 10 -4.203 26.533 15.332 1.00 37.80 N ATOM 106 CA LYS A 10 -4.434 26.528 16.770 1.00 37.78 C ATOM 107 C LYS A 10 -4.374 27.933 17.364 1.00 35.89 C ATOM 108 O LYS A 10 -4.391 28.098 18.586 1.00 36.38 O ATOM 109 CB LYS A 10 -3.398 25.657 17.475 1.00 41.67 C ATOM 110 CG LYS A 10 -3.497 24.154 17.208 1.00 46.00 C ATOM 111 CD LYS A 10 -2.766 23.765 15.936 1.00 48.65 C ATOM 112 CE LYS A 10 -2.379 22.268 15.917 1.00 51.50 C ATOM 113 NZ LYS A 10 -1.010 21.894 16.421 1.00 49.35 N ATOM 114 HZ1 LYS A 10 -0.288 22.371 15.845 1.00 0.00 H ATOM 115 HZ2 LYS A 10 -0.915 22.189 17.414 1.00 0.00 H ATOM 116 HZ3 LYS A 10 -0.886 20.864 16.351 1.00 0.00 H ATOM 117 H LYS A 10 -3.223 26.529 14.983 1.00 0.00 H ATOM 118 N GLY A 11 -4.259 28.945 16.514 1.00 33.47 N ATOM 119 CA GLY A 11 -4.212 30.322 16.973 1.00 31.65 C ATOM 120 C GLY A 11 -2.951 30.650 17.757 1.00 31.11 C ATOM 121 O GLY A 11 -2.976 31.511 18.616 1.00 31.28 O ATOM 122 H GLY A 11 -4.201 28.748 15.495 1.00 0.00 H ATOM 123 N CYS A 12 -1.843 29.967 17.460 1.00 30.68 N ATOM 124 CA CYS A 12 -0.581 30.186 18.179 1.00 28.24 C ATOM 125 C CYS A 12 0.452 31.014 17.413 1.00 27.66 C ATOM 126 O CYS A 12 1.580 31.151 17.884 1.00 27.43 O ATOM 127 CB CYS A 12 0.045 28.858 18.560 1.00 29.01 C ATOM 128 SG CYS A 12 -0.878 27.998 19.834 1.00 30.70 S ATOM 129 H CYS A 12 -1.874 29.260 16.698 1.00 0.00 H ATOM 130 N VAL A 13 0.070 31.567 16.263 1.00 25.53 N ATOM 131 CA VAL A 13 0.999 32.325 15.416 1.00 25.41 C ATOM 132 C VAL A 13 0.463 33.725 15.152 1.00 24.43 C ATOM 133 O VAL A 13 -0.658 33.893 14.653 1.00 25.69 O ATOM 134 CB VAL A 13 1.289 31.582 14.084 1.00 25.12 C ATOM 135 CG1 VAL A 13 2.330 32.318 13.264 1.00 25.41 C ATOM 136 CG2 VAL A 13 1.749 30.163 14.360 1.00 25.27 C ATOM 137 H VAL A 13 -0.918 31.458 15.955 1.00 0.00 H ATOM 138 N THR A 14 1.270 34.728 15.444 1.00 24.28 N ATOM 139 CA THR A 14 0.864 36.120 15.241 1.00 25.31 C ATOM 140 C THR A 14 1.024 36.523 13.787 1.00 26.77 C ATOM 141 O THR A 14 1.569 35.770 12.977 1.00 26.35 O ATOM 142 CB THR A 14 1.687 37.085 16.106 1.00 26.67 C ATOM 143 OG1 THR A 14 3.070 37.025 15.720 1.00 26.31 O ATOM 144 CG2 THR A 14 1.538 36.741 17.586 1.00 26.27 C ATOM 145 HG1 THR A 14 3.407 36.103 15.846 1.00 0.00 H ATOM 146 H THR A 14 2.215 34.525 15.827 1.00 0.00 H ATOM 147 N GLU A 15 0.559 37.715 13.449 1.00 28.46 N ATOM 148 CA GLU A 15 0.726 38.206 12.079 1.00 31.19 C ATOM 149 C GLU A 15 2.223 38.248 11.677 1.00 28.25 C ATOM 150 O GLU A 15 3.104 38.408 12.513 1.00 25.05 O ATOM 151 CB GLU A 15 0.063 39.582 11.911 1.00 35.24 C ATOM 152 CG GLU A 15 0.721 40.709 12.700 1.00 40.73 C ATOM 153 CD GLU A 15 0.261 40.847 14.162 1.00 44.22 C ATOM 154 OE1 GLU A 15 0.456 41.951 14.725 1.00 46.38 O ATOM 155 OE2 GLU A 15 -0.287 39.878 14.749 1.00 44.43 O ATOM 156 H GLU A 15 0.075 38.304 14.157 1.00 0.00 H ATOM 157 N VAL A 16 2.466 38.102 10.384 1.00 25.27 N ATOM 158 CA VAL A 16 3.784 38.188 9.805 1.00 25.73 C ATOM 159 C VAL A 16 4.290 39.615 9.941 1.00 26.01 C ATOM 160 O VAL A 16 3.559 40.583 9.668 1.00 25.83 O ATOM 161 CB VAL A 16 3.752 37.753 8.307 1.00 26.24 C ATOM 162 CG1 VAL A 16 5.077 38.070 7.616 1.00 25.86 C ATOM 163 CG2 VAL A 16 3.416 36.276 8.192 1.00 25.67 C ATOM 164 H VAL A 16 1.662 37.915 9.751 1.00 0.00 H ATOM 165 N LYS A 17 5.538 39.742 10.367 1.00 23.61 N ATOM 166 CA LYS A 17 6.190 41.025 10.557 1.00 25.17 C ATOM 167 C LYS A 17 7.156 41.362 9.414 1.00 25.73 C ATOM 168 O LYS A 17 7.512 40.507 8.612 1.00 24.43 O ATOM 169 CB LYS A 17 6.949 41.044 11.890 1.00 25.08 C ATOM 170 CG LYS A 17 6.131 40.630 13.113 1.00 26.05 C ATOM 171 CD LYS A 17 4.848 41.446 13.273 1.00 25.22 C ATOM 172 CE LYS A 17 4.218 41.227 14.656 1.00 25.14 C ATOM 173 NZ LYS A 17 3.809 39.826 14.941 1.00 26.30 N ATOM 174 HZ1 LYS A 17 3.105 39.522 14.239 1.00 0.00 H ATOM 175 HZ2 LYS A 17 4.642 39.206 14.889 1.00 0.00 H ATOM 176 HZ3 LYS A 17 3.395 39.774 15.894 1.00 0.00 H ATOM 177 H LYS A 17 6.078 38.878 10.576 1.00 0.00 H ATOM 178 N TYR A 18 7.581 42.630 9.366 1.00 25.97 N ATOM 179 CA TYR A 18 8.446 43.142 8.306 1.00 26.58 C ATOM 180 C TYR A 18 9.697 43.755 8.938 1.00 25.81 C ATOM 181 O TYR A 18 9.616 44.784 9.608 1.00 26.64 O ATOM 182 CB TYR A 18 7.679 44.183 7.459 1.00 28.52 C ATOM 183 CG TYR A 18 8.480 44.786 6.326 1.00 30.16 C ATOM 184 CD1 TYR A 18 8.751 44.057 5.165 1.00 33.12 C ATOM 185 CD2 TYR A 18 8.984 46.069 6.419 1.00 31.67 C ATOM 186 CE1 TYR A 18 9.499 44.611 4.126 1.00 35.61 C ATOM 187 CE2 TYR A 18 9.730 46.633 5.388 1.00 33.34 C ATOM 188 CZ TYR A 18 9.996 45.899 4.256 1.00 35.05 C ATOM 189 OH TYR A 18 10.744 46.453 3.250 1.00 36.14 O ATOM 190 HH TYR A 18 10.842 45.798 2.514 1.00 0.00 H ATOM 191 H TYR A 18 7.281 43.282 10.119 1.00 0.00 H ATOM 192 N GLN A 19 10.848 43.108 8.755 1.00 23.90 N ATOM 193 CA GLN A 19 12.078 43.570 9.425 1.00 25.24 C ATOM 194 C GLN A 19 12.729 44.793 8.776 1.00 27.16 C ATOM 195 O GLN A 19 13.518 45.478 9.409 1.00 25.79 O ATOM 196 CB GLN A 19 13.095 42.431 9.570 1.00 25.54 C ATOM 197 CG GLN A 19 13.755 41.968 8.308 1.00 26.09 C ATOM 198 CD GLN A 19 14.585 40.713 8.544 1.00 26.85 C ATOM 199 OE1 GLN A 19 14.053 39.640 8.863 1.00 28.07 O ATOM 200 NE2 GLN A 19 15.881 40.836 8.376 1.00 26.37 N ATOM 201 HE22 GLN A 19 16.286 41.756 8.108 1.00 0.00 H ATOM 202 HE21 GLN A 19 16.503 40.014 8.511 1.00 0.00 H ATOM 203 H GLN A 19 10.879 42.273 8.136 1.00 0.00 H ATOM 204 N GLY A 20 12.394 45.052 7.512 1.00 27.96 N ATOM 205 CA GLY A 20 12.988 46.164 6.787 1.00 29.56 C ATOM 206 C GLY A 20 14.480 45.976 6.608 1.00 28.10 C ATOM 207 O GLY A 20 14.954 44.862 6.518 1.00 27.79 O ATOM 208 H GLY A 20 11.695 44.447 7.035 1.00 0.00 H ATOM 209 N SER A 21 15.231 47.077 6.618 1.00 26.70 N ATOM 210 CA SER A 21 16.653 47.050 6.369 1.00 29.99 C ATOM 211 C SER A 21 17.446 46.821 7.674 1.00 32.84 C ATOM 212 O SER A 21 18.545 47.339 7.824 1.00 37.48 O ATOM 213 CB SER A 21 17.091 48.352 5.680 1.00 31.63 C ATOM 214 OG SER A 21 16.799 48.326 4.268 1.00 32.90 O ATOM 215 HG SER A 21 17.093 49.177 3.856 1.00 0.00 H ATOM 216 H SER A 21 14.775 47.991 6.813 1.00 0.00 H ATOM 217 N CYS A 22 16.859 46.103 8.630 1.00 31.06 N ATOM 218 CA CYS A 22 17.508 45.747 9.880 1.00 29.90 C ATOM 219 C CYS A 22 17.527 44.229 9.983 1.00 30.46 C ATOM 220 O CYS A 22 16.474 43.580 9.872 1.00 28.18 O ATOM 221 CB CYS A 22 16.717 46.368 11.036 1.00 29.99 C ATOM 222 SG CYS A 22 17.105 45.906 12.745 1.00 29.80 S ATOM 223 H CYS A 22 15.883 45.780 8.473 1.00 0.00 H ATOM 224 N GLY A 23 18.726 43.679 10.179 1.00 30.41 N ATOM 225 CA GLY A 23 18.936 42.225 10.254 1.00 30.76 C ATOM 226 C GLY A 23 18.487 41.677 11.605 1.00 29.46 C ATOM 227 O GLY A 23 19.287 41.168 12.371 1.00 30.39 O ATOM 228 H GLY A 23 19.549 44.306 10.283 1.00 0.00 H ATOM 229 N ALA A 24 17.196 41.817 11.888 1.00 27.40 N ATOM 230 CA ALA A 24 16.632 41.436 13.176 1.00 25.91 C ATOM 231 C ALA A 24 15.866 40.104 13.094 1.00 26.15 C ATOM 232 O ALA A 24 15.081 39.804 13.963 1.00 24.29 O ATOM 233 CB ALA A 24 15.713 42.531 13.680 1.00 27.28 C ATOM 234 H ALA A 24 16.565 42.213 11.163 1.00 0.00 H ATOM 235 N CYS A 25 16.094 39.335 12.021 1.00 26.10 N ATOM 236 CA CYS A 25 15.431 38.047 11.815 1.00 25.70 C ATOM 237 C CYS A 25 15.489 37.175 13.079 1.00 25.68 C ATOM 238 O CYS A 25 14.508 36.535 13.445 1.00 25.00 O ATOM 239 CB CYS A 25 16.078 37.306 10.627 1.00 25.72 C ATOM 240 SG CYS A 25 17.844 36.952 10.858 1.00 23.65 S ATOM 241 H CYS A 25 16.771 39.667 11.304 1.00 0.00 H ATOM 242 N TRP A 26 16.642 37.167 13.736 1.00 25.92 N ATOM 243 CA TRP A 26 16.867 36.413 14.970 1.00 23.77 C ATOM 244 C TRP A 26 15.893 36.815 16.078 1.00 23.70 C ATOM 245 O TRP A 26 15.393 35.957 16.788 1.00 23.39 O ATOM 246 CB TRP A 26 18.317 36.583 15.438 1.00 23.47 C ATOM 247 CG TRP A 26 18.708 37.996 15.756 1.00 22.82 C ATOM 248 CD1 TRP A 26 19.102 38.955 14.872 1.00 24.33 C ATOM 249 CD2 TRP A 26 18.699 38.620 17.045 1.00 23.34 C ATOM 250 NE1 TRP A 26 19.354 40.129 15.529 1.00 23.74 N ATOM 251 CE2 TRP A 26 19.119 39.961 16.866 1.00 24.30 C ATOM 252 CE3 TRP A 26 18.393 38.179 18.329 1.00 23.32 C ATOM 253 CZ2 TRP A 26 19.248 40.865 17.936 1.00 23.44 C ATOM 254 CZ3 TRP A 26 18.499 39.085 19.397 1.00 23.58 C ATOM 255 CH2 TRP A 26 18.936 40.407 19.189 1.00 24.28 C ATOM 256 HE1 TRP A 26 19.674 41.011 15.081 1.00 0.00 H ATOM 257 H TRP A 26 17.430 37.728 13.353 1.00 0.00 H ATOM 258 N ALA A 27 15.636 38.120 16.200 1.00 21.66 N ATOM 259 CA ALA A 27 14.696 38.629 17.201 1.00 23.88 C ATOM 260 C ALA A 27 13.256 38.235 16.886 1.00 23.39 C ATOM 261 O ALA A 27 12.514 37.862 17.784 1.00 24.23 O ATOM 262 CB ALA A 27 14.828 40.133 17.339 1.00 24.90 C ATOM 263 H ALA A 27 16.116 38.792 15.568 1.00 0.00 H ATOM 264 N PHE A 28 12.878 38.286 15.611 1.00 23.75 N ATOM 265 CA PHE A 28 11.537 37.878 15.183 1.00 23.18 C ATOM 266 C PHE A 28 11.303 36.400 15.374 1.00 21.81 C ATOM 267 O PHE A 28 10.239 35.991 15.791 1.00 22.98 O ATOM 268 CB PHE A 28 11.243 38.304 13.715 1.00 24.00 C ATOM 269 CG PHE A 28 10.996 39.782 13.574 1.00 24.69 C ATOM 270 CD1 PHE A 28 9.820 40.356 14.073 1.00 24.80 C ATOM 271 CD2 PHE A 28 11.960 40.607 13.022 1.00 25.96 C ATOM 272 CE1 PHE A 28 9.623 41.719 14.006 1.00 25.15 C ATOM 273 CE2 PHE A 28 11.760 41.963 12.932 1.00 26.75 C ATOM 274 CZ PHE A 28 10.582 42.519 13.405 1.00 24.95 C ATOM 275 H PHE A 28 13.554 38.625 14.897 1.00 0.00 H ATOM 276 N SER A 29 12.315 35.601 15.053 1.00 22.51 N ATOM 277 CA SER A 29 12.256 34.169 15.244 1.00 21.71 C ATOM 278 C SER A 29 12.056 33.849 16.706 1.00 21.59 C ATOM 279 O SER A 29 11.162 33.064 17.051 1.00 22.27 O ATOM 280 CB SER A 29 13.545 33.524 14.736 1.00 23.12 C ATOM 281 OG SER A 29 13.558 32.147 15.096 1.00 24.90 O ATOM 282 HG SER A 29 12.778 31.693 14.689 1.00 0.00 H ATOM 283 H SER A 29 13.178 36.019 14.651 1.00 0.00 H ATOM 284 N ALA A 30 12.829 34.503 17.571 1.00 21.39 N ATOM 285 CA ALA A 30 12.734 34.249 19.026 1.00 21.23 C ATOM 286 C ALA A 30 11.368 34.638 19.588 1.00 22.23 C ATOM 287 O ALA A 30 10.737 33.838 20.298 1.00 22.78 O ATOM 288 CB ALA A 30 13.847 34.960 19.774 1.00 22.31 C ATOM 289 H ALA A 30 13.511 35.204 17.218 1.00 0.00 H ATOM 290 N VAL A 31 10.889 35.841 19.275 1.00 22.41 N ATOM 291 CA VAL A 31 9.580 36.254 19.796 1.00 23.90 C ATOM 292 C VAL A 31 8.464 35.367 19.263 1.00 24.21 C ATOM 293 O VAL A 31 7.519 35.051 19.985 1.00 24.31 O ATOM 294 CB VAL A 31 9.247 37.758 19.606 1.00 24.96 C ATOM 295 CG1 VAL A 31 10.239 38.637 20.352 1.00 25.42 C ATOM 296 CG2 VAL A 31 9.173 38.180 18.146 1.00 24.00 C ATOM 297 H VAL A 31 11.438 36.482 18.667 1.00 0.00 H ATOM 298 N GLY A 32 8.570 34.956 18.001 1.00 23.72 N ATOM 299 CA GLY A 32 7.586 34.082 17.425 1.00 23.54 C ATOM 300 C GLY A 32 7.451 32.790 18.193 1.00 23.72 C ATOM 301 O GLY A 32 6.334 32.308 18.447 1.00 24.16 O ATOM 302 H GLY A 32 9.376 35.272 17.425 1.00 0.00 H ATOM 303 N ALA A 33 8.589 32.191 18.549 1.00 23.55 N ATOM 304 CA ALA A 33 8.548 30.967 19.332 1.00 24.37 C ATOM 305 C ALA A 33 7.908 31.229 20.691 1.00 23.99 C ATOM 306 O ALA A 33 7.112 30.418 21.186 1.00 24.30 O ATOM 307 CB ALA A 33 9.949 30.397 19.515 1.00 23.37 C ATOM 308 H ALA A 33 9.503 32.599 18.267 1.00 0.00 H ATOM 309 N LEU A 34 8.255 32.345 21.308 1.00 23.92 N ATOM 310 CA LEU A 34 7.740 32.591 22.672 1.00 24.59 C ATOM 311 C LEU A 34 6.241 32.950 22.630 1.00 24.68 C ATOM 312 O LEU A 34 5.493 32.589 23.531 1.00 24.88 O ATOM 313 CB LEU A 34 8.548 33.666 23.368 1.00 23.74 C ATOM 314 CG LEU A 34 8.268 33.846 24.871 1.00 25.72 C ATOM 315 CD1 LEU A 34 8.426 32.554 25.650 1.00 26.89 C ATOM 316 CD2 LEU A 34 9.178 34.931 25.442 1.00 26.52 C ATOM 317 H LEU A 34 8.878 33.036 20.843 1.00 0.00 H ATOM 318 N GLU A 35 5.817 33.604 21.546 1.00 26.47 N ATOM 319 CA GLU A 35 4.407 33.987 21.351 1.00 25.56 C ATOM 320 C GLU A 35 3.509 32.753 21.397 1.00 25.78 C ATOM 321 O GLU A 35 2.428 32.789 21.983 1.00 24.75 O ATOM 322 CB GLU A 35 4.226 34.760 20.025 1.00 26.05 C ATOM 323 CG GLU A 35 4.756 36.184 20.069 1.00 25.63 C ATOM 324 CD GLU A 35 4.985 36.805 18.701 1.00 25.52 C ATOM 325 OE1 GLU A 35 4.695 36.171 17.657 1.00 26.36 O ATOM 326 OE2 GLU A 35 5.491 37.956 18.666 1.00 26.18 O ATOM 327 H GLU A 35 6.509 33.853 20.810 1.00 0.00 H ATOM 328 N ALA A 36 3.966 31.651 20.792 1.00 24.79 N ATOM 329 CA ALA A 36 3.200 30.413 20.771 1.00 24.65 C ATOM 330 C ALA A 36 3.075 29.826 22.183 1.00 25.15 C ATOM 331 O ALA A 36 1.991 29.389 22.584 1.00 24.20 O ATOM 332 CB ALA A 36 3.842 29.395 19.851 1.00 24.72 C ATOM 333 H ALA A 36 4.894 31.679 20.324 1.00 0.00 H ATOM 334 N GLN A 37 4.192 29.789 22.902 1.00 24.57 N ATOM 335 CA GLN A 37 4.203 29.279 24.282 1.00 23.97 C ATOM 336 C GLN A 37 3.296 30.122 25.182 1.00 25.38 C ATOM 337 O GLN A 37 2.550 29.576 25.989 1.00 27.30 O ATOM 338 CB GLN A 37 5.624 29.238 24.830 1.00 24.51 C ATOM 339 CG GLN A 37 6.552 28.260 24.120 1.00 24.28 C ATOM 340 CD GLN A 37 5.972 26.862 24.019 1.00 26.20 C ATOM 341 OE1 GLN A 37 5.576 26.273 25.022 1.00 26.25 O ATOM 342 NE2 GLN A 37 5.916 26.318 22.805 1.00 26.02 N ATOM 343 HE22 GLN A 37 6.262 26.849 21.981 1.00 0.00 H ATOM 344 HE21 GLN A 37 5.527 25.362 22.681 1.00 0.00 H ATOM 345 H GLN A 37 5.079 30.129 22.479 1.00 0.00 H ATOM 346 N LEU A 38 3.343 31.437 25.025 1.00 26.66 N ATOM 347 CA LEU A 38 2.469 32.346 25.758 1.00 26.33 C ATOM 348 C LEU A 38 0.971 32.063 25.512 1.00 27.31 C ATOM 349 O LEU A 38 0.179 32.025 26.449 1.00 26.35 O ATOM 350 CB LEU A 38 2.806 33.799 25.425 1.00 27.67 C ATOM 351 CG LEU A 38 1.979 34.880 26.131 1.00 27.12 C ATOM 352 CD1 LEU A 38 2.276 34.877 27.621 1.00 27.74 C ATOM 353 CD2 LEU A 38 2.229 36.253 25.536 1.00 28.38 C ATOM 354 H LEU A 38 4.029 31.836 24.353 1.00 0.00 H ATOM 355 N LYS A 39 0.594 31.847 24.255 1.00 26.69 N ATOM 356 CA LYS A 39 -0.766 31.421 23.921 1.00 28.19 C ATOM 357 C LYS A 39 -1.146 30.095 24.576 1.00 28.52 C ATOM 358 O LYS A 39 -2.229 29.946 25.188 1.00 27.89 O ATOM 359 CB LYS A 39 -0.918 31.312 22.392 1.00 28.14 C ATOM 360 CG LYS A 39 -2.225 30.675 21.906 1.00 31.25 C ATOM 361 CD LYS A 39 -3.441 31.521 22.193 1.00 32.91 C ATOM 362 CE LYS A 39 -4.716 30.780 21.741 1.00 34.81 C ATOM 363 NZ LYS A 39 -5.903 31.651 21.946 1.00 35.51 N ATOM 364 HZ1 LYS A 39 -5.984 31.893 22.954 1.00 0.00 H ATOM 365 HZ2 LYS A 39 -5.794 32.521 21.387 1.00 0.00 H ATOM 366 HZ3 LYS A 39 -6.759 31.146 21.640 1.00 0.00 H ATOM 367 H LYS A 39 1.284 31.984 23.489 1.00 0.00 H ATOM 368 N LEU A 40 -0.250 29.120 24.475 1.00 29.45 N ATOM 369 CA LEU A 40 -0.491 27.816 25.076 1.00 29.88 C ATOM 370 C LEU A 40 -0.694 27.912 26.578 1.00 29.63 C ATOM 371 O LEU A 40 -1.527 27.197 27.140 1.00 30.89 O ATOM 372 CB LEU A 40 0.661 26.848 24.758 1.00 29.75 C ATOM 373 CG LEU A 40 0.713 26.362 23.321 1.00 30.46 C ATOM 374 CD1 LEU A 40 1.998 25.598 23.058 1.00 32.30 C ATOM 375 CD2 LEU A 40 -0.487 25.491 22.965 1.00 31.87 C ATOM 376 H LEU A 40 0.637 29.290 23.959 1.00 0.00 H ATOM 377 N LYS A 41 0.071 28.769 27.232 1.00 29.10 N ATOM 378 CA LYS A 41 0.001 28.910 28.691 1.00 33.27 C ATOM 379 C LYS A 41 -1.185 29.768 29.155 1.00 33.96 C ATOM 380 O LYS A 41 -1.849 29.431 30.124 1.00 33.51 O ATOM 381 CB LYS A 41 1.288 29.530 29.239 1.00 37.23 C ATOM 382 CG LYS A 41 1.432 29.379 30.753 1.00 43.70 C ATOM 383 CD LYS A 41 2.060 30.597 31.401 1.00 47.04 C ATOM 384 CE LYS A 41 2.004 30.467 32.932 1.00 51.94 C ATOM 385 NZ LYS A 41 3.043 31.296 33.611 1.00 56.94 N ATOM 386 HZ1 LYS A 41 3.987 30.993 33.296 1.00 0.00 H ATOM 387 HZ2 LYS A 41 2.900 32.297 33.367 1.00 0.00 H ATOM 388 HZ3 LYS A 41 2.964 31.174 34.641 1.00 0.00 H ATOM 389 H LYS A 41 0.741 29.359 26.698 1.00 0.00 H ATOM 390 N THR A 42 -1.410 30.896 28.490 1.00 34.31 N ATOM 391 CA THR A 42 -2.371 31.886 28.981 1.00 34.41 C ATOM 392 C THR A 42 -3.667 31.959 28.200 1.00 34.80 C ATOM 393 O THR A 42 -4.611 32.593 28.654 1.00 33.92 O ATOM 394 CB THR A 42 -1.773 33.304 28.991 1.00 33.85 C ATOM 395 OG1 THR A 42 -1.567 33.769 27.650 1.00 34.47 O ATOM 396 CG2 THR A 42 -0.469 33.350 29.778 1.00 35.05 C ATOM 397 HG1 THR A 42 -0.943 33.159 27.182 1.00 0.00 H ATOM 398 H THR A 42 -0.895 31.079 27.605 1.00 0.00 H ATOM 399 N GLY A 43 -3.708 31.369 27.008 1.00 34.16 N ATOM 400 CA GLY A 43 -4.849 31.486 26.112 1.00 33.89 C ATOM 401 C GLY A 43 -4.876 32.752 25.274 1.00 33.38 C ATOM 402 O GLY A 43 -5.761 32.911 24.440 1.00 36.65 O ATOM 403 H GLY A 43 -2.891 30.801 26.704 1.00 0.00 H ATOM 404 N LYS A 44 -3.909 33.652 25.466 1.00 32.10 N ATOM 405 CA LYS A 44 -3.896 34.912 24.739 1.00 31.50 C ATOM 406 C LYS A 44 -2.794 34.932 23.697 1.00 30.82 C ATOM 407 O LYS A 44 -1.658 34.625 24.009 1.00 29.64 O ATOM 408 CB LYS A 44 -3.690 36.075 25.689 1.00 33.52 C ATOM 409 CG LYS A 44 -4.823 36.203 26.709 1.00 34.74 C ATOM 410 CD LYS A 44 -4.593 37.474 27.490 1.00 37.51 C ATOM 411 CE LYS A 44 -5.545 37.636 28.653 1.00 36.98 C ATOM 412 NZ LYS A 44 -5.456 39.028 29.144 1.00 36.64 N ATOM 413 HZ1 LYS A 44 -4.482 39.224 29.452 1.00 0.00 H ATOM 414 HZ2 LYS A 44 -5.717 39.682 28.378 1.00 0.00 H ATOM 415 HZ3 LYS A 44 -6.107 39.154 29.945 1.00 0.00 H ATOM 416 H LYS A 44 -3.151 33.449 26.148 1.00 0.00 H ATOM 417 N LEU A 45 -3.146 35.317 22.468 1.00 28.27 N ATOM 418 CA LEU A 45 -2.171 35.529 21.412 1.00 26.47 C ATOM 419 C LEU A 45 -1.732 36.977 21.366 1.00 27.88 C ATOM 420 O LEU A 45 -2.533 37.872 21.062 1.00 26.80 O ATOM 421 CB LEU A 45 -2.747 35.119 20.056 1.00 28.23 C ATOM 422 CG LEU A 45 -1.758 35.189 18.901 1.00 27.90 C ATOM 423 CD1 LEU A 45 -0.614 34.214 19.103 1.00 28.87 C ATOM 424 CD2 LEU A 45 -2.460 34.891 17.582 1.00 29.77 C ATOM 425 H LEU A 45 -4.153 35.470 22.259 1.00 0.00 H ATOM 426 N VAL A 46 -0.457 37.231 21.648 1.00 26.87 N ATOM 427 CA VAL A 46 0.054 38.596 21.769 1.00 27.88 C ATOM 428 C VAL A 46 1.398 38.717 21.062 1.00 27.22 C ATOM 429 O VAL A 46 2.294 37.918 21.337 1.00 29.19 O ATOM 430 CB VAL A 46 0.252 38.986 23.271 1.00 29.28 C ATOM 431 CG1 VAL A 46 0.899 40.356 23.407 1.00 28.76 C ATOM 432 CG2 VAL A 46 -1.083 38.972 23.997 1.00 30.99 C ATOM 433 H VAL A 46 0.197 36.434 21.787 1.00 0.00 H ATOM 434 N SER A 47 1.545 39.693 20.162 1.00 25.61 N ATOM 435 CA SER A 47 2.840 39.947 19.540 1.00 26.10 C ATOM 436 C SER A 47 3.816 40.504 20.568 1.00 26.55 C ATOM 437 O SER A 47 3.500 41.455 21.285 1.00 25.58 O ATOM 438 CB SER A 47 2.743 40.875 18.331 1.00 28.62 C ATOM 439 OG SER A 47 2.103 40.215 17.232 1.00 26.69 O ATOM 440 HG SER A 47 1.190 39.942 17.499 1.00 0.00 H ATOM 441 H SER A 47 0.726 40.279 19.901 1.00 0.00 H ATOM 442 N LEU A 48 4.997 39.889 20.643 1.00 25.37 N ATOM 443 CA LEU A 48 6.046 40.319 21.570 1.00 25.00 C ATOM 444 C LEU A 48 7.075 41.185 20.866 1.00 23.43 C ATOM 445 O LEU A 48 7.154 41.226 19.613 1.00 23.37 O ATOM 446 CB LEU A 48 6.661 39.114 22.260 1.00 25.67 C ATOM 447 CG LEU A 48 5.675 38.213 23.009 1.00 25.82 C ATOM 448 CD1 LEU A 48 6.359 36.965 23.502 1.00 25.36 C ATOM 449 CD2 LEU A 48 5.043 38.966 24.162 1.00 27.29 C ATOM 450 H LEU A 48 5.179 39.075 20.021 1.00 0.00 H ATOM 451 N SER A 49 7.835 41.937 21.654 1.00 23.42 N ATOM 452 CA SER A 49 8.672 42.999 21.120 1.00 22.60 C ATOM 453 C SER A 49 10.024 42.533 20.617 1.00 24.11 C ATOM 454 O SER A 49 10.945 42.304 21.414 1.00 22.99 O ATOM 455 CB SER A 49 8.908 44.091 22.143 1.00 22.64 C ATOM 456 OG SER A 49 9.751 45.118 21.636 1.00 22.62 O ATOM 457 HG SER A 49 9.330 45.525 20.838 1.00 0.00 H ATOM 458 H SER A 49 7.831 41.762 22.679 1.00 0.00 H ATOM 459 N ALA A 50 10.140 42.414 19.293 1.00 22.98 N ATOM 460 CA ALA A 50 11.418 42.189 18.655 1.00 23.43 C ATOM 461 C ALA A 50 12.397 43.338 18.919 1.00 24.07 C ATOM 462 O ALA A 50 13.600 43.114 19.106 1.00 23.47 O ATOM 463 CB ALA A 50 11.233 41.963 17.157 1.00 25.96 C ATOM 464 H ALA A 50 9.287 42.485 18.703 1.00 0.00 H ATOM 465 N GLN A 51 11.896 44.569 18.982 1.00 23.32 N ATOM 466 CA GLN A 51 12.748 45.719 19.252 1.00 23.36 C ATOM 467 C GLN A 51 13.427 45.624 20.620 1.00 22.59 C ATOM 468 O GLN A 51 14.587 46.014 20.779 1.00 23.82 O ATOM 469 CB GLN A 51 11.947 47.025 19.168 1.00 24.29 C ATOM 470 CG GLN A 51 12.816 48.268 19.084 1.00 25.50 C ATOM 471 CD GLN A 51 13.638 48.312 17.814 1.00 26.57 C ATOM 472 OE1 GLN A 51 13.104 48.182 16.713 1.00 27.75 O ATOM 473 NE2 GLN A 51 14.951 48.480 17.953 1.00 27.61 N ATOM 474 HE22 GLN A 51 15.364 48.586 18.901 1.00 0.00 H ATOM 475 HE21 GLN A 51 15.564 48.505 17.113 1.00 0.00 H ATOM 476 H GLN A 51 10.876 44.713 18.836 1.00 0.00 H ATOM 477 N ASN A 52 12.689 45.127 21.595 1.00 22.74 N ATOM 478 CA ASN A 52 13.188 44.901 22.955 1.00 23.94 C ATOM 479 C ASN A 52 14.436 44.012 22.890 1.00 25.17 C ATOM 480 O ASN A 52 15.458 44.320 23.506 1.00 25.03 O ATOM 481 CB ASN A 52 12.082 44.261 23.763 1.00 24.47 C ATOM 482 CG ASN A 52 12.378 44.148 25.251 1.00 25.16 C ATOM 483 OD1 ASN A 52 13.527 44.195 25.734 1.00 27.41 O ATOM 484 ND2 ASN A 52 11.349 43.914 25.970 1.00 23.15 N ATOM 485 HD22 ASN A 52 10.406 43.882 25.533 1.00 0.00 H ATOM 486 HD21 ASN A 52 11.454 43.755 26.992 1.00 0.00 H ATOM 487 H ASN A 52 11.700 44.882 21.387 1.00 0.00 H ATOM 488 N LEU A 53 14.386 42.973 22.060 1.00 25.52 N ATOM 489 CA LEU A 53 15.565 42.109 21.892 1.00 24.31 C ATOM 490 C LEU A 53 16.700 42.835 21.187 1.00 24.85 C ATOM 491 O LEU A 53 17.840 42.786 21.627 1.00 25.88 O ATOM 492 CB LEU A 53 15.216 40.814 21.175 1.00 23.18 C ATOM 493 CG LEU A 53 14.233 39.905 21.881 1.00 24.31 C ATOM 494 CD1 LEU A 53 13.922 38.704 21.024 1.00 24.22 C ATOM 495 CD2 LEU A 53 14.718 39.476 23.266 1.00 23.19 C ATOM 496 H LEU A 53 13.514 42.772 21.530 1.00 0.00 H ATOM 497 N VAL A 54 16.388 43.538 20.104 1.00 24.21 N ATOM 498 CA VAL A 54 17.412 44.299 19.357 1.00 25.11 C ATOM 499 C VAL A 54 18.155 45.301 20.255 1.00 26.68 C ATOM 500 O VAL A 54 19.393 45.427 20.186 1.00 25.65 O ATOM 501 CB VAL A 54 16.773 45.040 18.158 1.00 24.11 C ATOM 502 CG1 VAL A 54 17.703 46.096 17.586 1.00 25.16 C ATOM 503 CG2 VAL A 54 16.371 44.059 17.075 1.00 25.83 C ATOM 504 H VAL A 54 15.402 43.553 19.774 1.00 0.00 H ATOM 505 N ASP A 55 17.399 46.015 21.099 1.00 25.55 N ATOM 506 CA ASP A 55 17.971 47.084 21.924 1.00 27.01 C ATOM 507 C ASP A 55 18.613 46.574 23.223 1.00 26.12 C ATOM 508 O ASP A 55 19.491 47.244 23.763 1.00 26.34 O ATOM 509 CB ASP A 55 16.894 48.093 22.345 1.00 27.67 C ATOM 510 CG ASP A 55 16.268 48.832 21.186 1.00 28.73 C ATOM 511 OD1 ASP A 55 16.804 48.810 20.056 1.00 28.59 O ATOM 512 OD2 ASP A 55 15.201 49.453 21.425 1.00 29.28 O ATOM 513 H ASP A 55 16.383 45.806 21.171 1.00 0.00 H ATOM 514 N CYS A 56 18.158 45.433 23.729 1.00 25.08 N ATOM 515 CA CYS A 56 18.491 45.012 25.087 1.00 27.01 C ATOM 516 C CYS A 56 19.282 43.700 25.174 1.00 25.94 C ATOM 517 O CYS A 56 20.048 43.530 26.098 1.00 27.31 O ATOM 518 CB CYS A 56 17.252 44.914 25.961 1.00 28.74 C ATOM 519 SG CYS A 56 16.237 46.438 25.997 1.00 28.76 S ATOM 520 H CYS A 56 17.550 44.825 23.144 1.00 0.00 H ATOM 521 N SER A 57 19.060 42.764 24.261 1.00 24.69 N ATOM 522 CA SER A 57 19.835 41.503 24.234 1.00 26.15 C ATOM 523 C SER A 57 21.018 41.748 23.325 1.00 25.46 C ATOM 524 O SER A 57 20.973 41.402 22.142 1.00 26.06 O ATOM 525 CB SER A 57 18.972 40.343 23.722 1.00 26.02 C ATOM 526 OG SER A 57 19.709 39.121 23.664 1.00 26.34 O ATOM 527 HG SER A 57 20.479 39.230 23.052 1.00 0.00 H ATOM 528 H SER A 57 18.322 42.920 23.545 1.00 0.00 H ATOM 529 N THR A 58 22.038 42.434 23.850 1.00 25.56 N ATOM 530 CA THR A 58 23.089 42.994 23.016 1.00 26.20 C ATOM 531 C THR A 58 24.428 42.292 23.306 1.00 26.09 C ATOM 532 O THR A 58 24.488 41.074 23.229 1.00 25.70 O ATOM 533 CB THR A 58 23.175 44.529 23.186 1.00 26.70 C ATOM 534 OG1 THR A 58 23.270 44.834 24.583 1.00 26.17 O ATOM 535 CG2 THR A 58 21.906 45.221 22.578 1.00 26.01 C ATOM 536 HG1 THR A 58 23.326 45.815 24.702 1.00 0.00 H ATOM 537 H THR A 58 22.081 42.570 24.880 1.00 0.00 H ATOM 538 N GLU A 59 25.482 43.052 23.610 1.00 26.62 N ATOM 539 CA GLU A 59 26.848 42.509 23.661 1.00 29.11 C ATOM 540 C GLU A 59 27.013 41.359 24.644 1.00 27.36 C ATOM 541 O GLU A 59 27.713 40.408 24.345 1.00 26.33 O ATOM 542 CB GLU A 59 27.868 43.603 24.002 1.00 33.56 C ATOM 543 CG GLU A 59 28.082 44.619 22.890 1.00 36.99 C ATOM 544 CD GLU A 59 27.188 45.860 23.019 1.00 40.49 C ATOM 545 OE1 GLU A 59 26.199 45.845 23.816 1.00 35.06 O ATOM 546 OE2 GLU A 59 27.500 46.849 22.312 1.00 42.65 O ATOM 547 H GLU A 59 25.333 44.060 23.817 1.00 0.00 H ATOM 548 N LYS A 60 26.376 41.467 25.811 1.00 26.93 N ATOM 549 CA LYS A 60 26.435 40.465 26.848 1.00 27.83 C ATOM 550 C LYS A 60 25.898 39.105 26.342 1.00 27.80 C ATOM 551 O LYS A 60 26.267 38.056 26.878 1.00 26.63 O ATOM 552 CB LYS A 60 25.629 40.944 28.068 1.00 32.76 C ATOM 553 CG LYS A 60 25.480 39.938 29.188 1.00 38.23 C ATOM 554 CD LYS A 60 24.589 40.440 30.327 1.00 42.56 C ATOM 555 CE LYS A 60 24.318 39.325 31.305 1.00 44.23 C ATOM 556 NZ LYS A 60 23.844 39.869 32.603 1.00 47.55 N ATOM 557 HZ1 LYS A 60 24.572 40.497 33.001 1.00 0.00 H ATOM 558 HZ2 LYS A 60 22.966 40.406 32.453 1.00 0.00 H ATOM 559 HZ3 LYS A 60 23.664 39.084 33.261 1.00 0.00 H ATOM 560 H LYS A 60 25.806 42.320 25.983 1.00 0.00 H ATOM 561 N TYR A 61 25.064 39.156 25.304 1.00 25.41 N ATOM 562 CA TYR A 61 24.436 37.977 24.703 1.00 25.96 C ATOM 563 C TYR A 61 25.051 37.593 23.345 1.00 24.41 C ATOM 564 O TYR A 61 24.548 36.719 22.663 1.00 26.07 O ATOM 565 CB TYR A 61 22.915 38.232 24.616 1.00 25.02 C ATOM 566 CG TYR A 61 22.365 38.350 26.007 1.00 25.14 C ATOM 567 CD1 TYR A 61 22.051 37.210 26.727 1.00 24.94 C ATOM 568 CD2 TYR A 61 22.227 39.589 26.635 1.00 24.64 C ATOM 569 CE1 TYR A 61 21.619 37.290 28.030 1.00 25.06 C ATOM 570 CE2 TYR A 61 21.783 39.669 27.935 1.00 26.02 C ATOM 571 CZ TYR A 61 21.467 38.518 28.612 1.00 25.74 C ATOM 572 OH TYR A 61 21.026 38.580 29.920 1.00 28.51 O ATOM 573 HH TYR A 61 20.846 37.664 30.250 1.00 0.00 H ATOM 574 H TYR A 61 24.846 40.088 24.897 1.00 0.00 H ATOM 575 N GLY A 62 26.136 38.258 22.968 1.00 24.27 N ATOM 576 CA GLY A 62 26.802 38.037 21.682 1.00 23.80 C ATOM 577 C GLY A 62 26.034 38.535 20.482 1.00 25.02 C ATOM 578 O GLY A 62 26.366 38.192 19.344 1.00 26.40 O ATOM 579 H GLY A 62 26.532 38.969 23.616 1.00 0.00 H ATOM 580 N ASN A 63 25.013 39.353 20.724 1.00 24.42 N ATOM 581 CA ASN A 63 24.153 39.865 19.664 1.00 25.35 C ATOM 582 C ASN A 63 24.553 41.256 19.230 1.00 26.50 C ATOM 583 O ASN A 63 25.193 41.987 19.984 1.00 27.13 O ATOM 584 CB ASN A 63 22.702 39.854 20.110 1.00 24.82 C ATOM 585 CG ASN A 63 22.209 38.459 20.391 1.00 25.35 C ATOM 586 OD1 ASN A 63 22.687 37.490 19.788 1.00 25.08 O ATOM 587 ND2 ASN A 63 21.306 38.331 21.360 1.00 26.95 N ATOM 588 HD22 ASN A 63 20.933 39.176 21.838 1.00 0.00 H ATOM 589 HD21 ASN A 63 20.973 37.386 21.639 1.00 0.00 H ATOM 590 H ASN A 63 24.821 39.638 21.706 1.00 0.00 H ATOM 591 N LYS A 64 24.184 41.608 17.998 1.00 26.23 N ATOM 592 CA LYS A 64 24.634 42.848 17.377 1.00 27.24 C ATOM 593 C LYS A 64 23.471 43.643 16.760 1.00 26.15 C ATOM 594 O LYS A 64 23.654 44.356 15.776 1.00 28.57 O ATOM 595 CB LYS A 64 25.686 42.534 16.339 1.00 28.53 C ATOM 596 CG LYS A 64 26.961 41.975 16.934 1.00 30.99 C ATOM 597 CD LYS A 64 27.969 41.584 15.863 1.00 34.94 C ATOM 598 CE LYS A 64 29.167 40.891 16.519 1.00 39.91 C ATOM 599 NZ LYS A 64 30.246 40.590 15.535 1.00 41.15 N ATOM 600 HZ1 LYS A 64 29.873 39.963 14.794 1.00 0.00 H ATOM 601 HZ2 LYS A 64 30.578 41.477 15.105 1.00 0.00 H ATOM 602 HZ3 LYS A 64 31.037 40.122 16.022 1.00 0.00 H ATOM 603 H LYS A 64 23.554 40.977 17.462 1.00 0.00 H ATOM 604 N GLY A 65 22.292 43.501 17.354 1.00 27.68 N ATOM 605 CA GLY A 65 21.118 44.255 16.948 1.00 27.11 C ATOM 606 C GLY A 65 20.774 44.050 15.484 1.00 26.72 C ATOM 607 O GLY A 65 20.525 42.905 15.038 1.00 26.34 O ATOM 608 H GLY A 65 22.206 42.825 18.139 1.00 0.00 H ATOM 609 N CYS A 66 20.736 45.158 14.740 1.00 26.91 N ATOM 610 CA CYS A 66 20.427 45.127 13.297 1.00 27.74 C ATOM 611 C CYS A 66 21.507 44.426 12.449 1.00 28.82 C ATOM 612 O CYS A 66 21.291 44.140 11.275 1.00 29.58 O ATOM 613 CB CYS A 66 20.110 46.532 12.773 1.00 29.50 C ATOM 614 SG CYS A 66 18.543 47.241 13.384 1.00 33.08 S ATOM 615 H CYS A 66 20.931 46.074 15.193 1.00 0.00 H ATOM 616 N ASN A 67 22.648 44.094 13.060 1.00 28.11 N ATOM 617 CA ASN A 67 23.688 43.329 12.410 1.00 28.65 C ATOM 618 C ASN A 67 23.729 41.843 12.795 1.00 28.70 C ATOM 619 O ASN A 67 24.680 41.138 12.480 1.00 29.66 O ATOM 620 CB ASN A 67 25.042 44.000 12.624 1.00 28.79 C ATOM 621 CG ASN A 67 25.147 45.278 11.818 1.00 30.91 C ATOM 622 OD1 ASN A 67 24.887 45.266 10.621 1.00 30.65 O ATOM 623 ND2 ASN A 67 25.441 46.380 12.470 1.00 29.47 N ATOM 624 HD22 ASN A 67 25.655 46.341 13.487 1.00 0.00 H ATOM 625 HD21 ASN A 67 25.460 47.291 11.969 1.00 0.00 H ATOM 626 H ASN A 67 22.794 44.399 14.044 1.00 0.00 H ATOM 627 N GLY A 68 22.669 41.353 13.428 1.00 27.07 N ATOM 628 CA GLY A 68 22.505 39.922 13.644 1.00 26.83 C ATOM 629 C GLY A 68 22.570 39.502 15.113 1.00 25.25 C ATOM 630 O GLY A 68 22.881 40.294 15.987 1.00 25.62 O ATOM 631 H GLY A 68 21.939 42.006 13.777 1.00 0.00 H ATOM 632 N GLY A 69 22.240 38.250 15.362 1.00 24.20 N ATOM 633 CA GLY A 69 22.148 37.709 16.724 1.00 24.39 C ATOM 634 C GLY A 69 21.722 36.256 16.714 1.00 26.06 C ATOM 635 O GLY A 69 21.590 35.661 15.632 1.00 25.08 O ATOM 636 H GLY A 69 22.036 37.619 14.560 1.00 0.00 H ATOM 637 N PHE A 70 21.510 35.705 17.913 1.00 24.26 N ATOM 638 CA PHE A 70 21.089 34.330 18.111 1.00 25.86 C ATOM 639 C PHE A 70 19.736 34.255 18.799 1.00 26.01 C ATOM 640 O PHE A 70 19.482 34.981 19.775 1.00 25.86 O ATOM 641 CB PHE A 70 22.065 33.580 19.054 1.00 27.45 C ATOM 642 CG PHE A 70 23.515 33.539 18.583 1.00 29.14 C ATOM 643 CD1 PHE A 70 23.938 32.584 17.661 1.00 32.41 C ATOM 644 CD2 PHE A 70 24.457 34.397 19.132 1.00 29.71 C ATOM 645 CE1 PHE A 70 25.275 32.515 17.255 1.00 33.92 C ATOM 646 CE2 PHE A 70 25.796 34.340 18.736 1.00 31.78 C ATOM 647 CZ PHE A 70 26.205 33.405 17.791 1.00 32.89 C ATOM 648 H PHE A 70 21.655 36.297 18.755 1.00 0.00 H ATOM 649 N MET A 71 18.896 33.314 18.365 1.00 25.36 N ATOM 650 CA MET A 71 17.649 33.074 19.060 1.00 24.50 C ATOM 651 C MET A 71 17.867 32.533 20.453 1.00 24.72 C ATOM 652 O MET A 71 17.185 32.936 21.402 1.00 23.54 O ATOM 653 CB MET A 71 16.731 32.143 18.266 1.00 24.38 C ATOM 654 CG MET A 71 16.227 32.782 16.988 1.00 26.21 C ATOM 655 SD MET A 71 17.357 32.629 15.598 1.00 27.65 S ATOM 656 CE MET A 71 17.126 30.921 15.174 1.00 28.99 C ATOM 657 H MET A 71 19.138 32.751 17.525 1.00 0.00 H ATOM 658 N THR A 72 18.868 31.675 20.620 1.00 23.84 N ATOM 659 CA THR A 72 19.085 31.075 21.948 1.00 23.57 C ATOM 660 C THR A 72 19.512 32.094 22.985 1.00 22.94 C ATOM 661 O THR A 72 19.037 32.050 24.136 1.00 23.85 O ATOM 662 CB THR A 72 20.145 29.954 21.911 1.00 24.73 C ATOM 663 OG1 THR A 72 21.314 30.435 21.252 1.00 23.48 O ATOM 664 CG2 THR A 72 19.634 28.735 21.202 1.00 26.28 C ATOM 665 HG1 THR A 72 21.083 30.705 20.328 1.00 0.00 H ATOM 666 H THR A 72 19.490 31.430 19.823 1.00 0.00 H ATOM 667 N THR A 73 20.410 32.995 22.614 1.00 23.08 N ATOM 668 CA THR A 73 20.891 33.991 23.548 1.00 23.86 C ATOM 669 C THR A 73 19.804 35.043 23.812 1.00 24.53 C ATOM 670 O THR A 73 19.733 35.591 24.921 1.00 25.21 O ATOM 671 CB THR A 73 22.216 34.643 23.143 1.00 23.95 C ATOM 672 OG1 THR A 73 22.024 35.508 22.041 1.00 22.47 O ATOM 673 CG2 THR A 73 23.271 33.583 22.790 1.00 25.29 C ATOM 674 HG1 THR A 73 22.889 35.921 21.792 1.00 0.00 H ATOM 675 H THR A 73 20.774 32.987 21.640 1.00 0.00 H ATOM 676 N ALA A 74 18.950 35.286 22.820 1.00 21.77 N ATOM 677 CA ALA A 74 17.732 36.089 23.032 1.00 22.58 C ATOM 678 C ALA A 74 16.851 35.479 24.114 1.00 21.99 C ATOM 679 O ALA A 74 16.380 36.189 24.993 1.00 23.87 O ATOM 680 CB ALA A 74 16.959 36.249 21.727 1.00 23.24 C ATOM 681 H ALA A 74 19.147 34.901 21.874 1.00 0.00 H ATOM 682 N PHE A 75 16.632 34.167 24.066 1.00 23.31 N ATOM 683 CA PHE A 75 15.862 33.484 25.092 1.00 23.65 C ATOM 684 C PHE A 75 16.516 33.663 26.451 1.00 24.05 C ATOM 685 O PHE A 75 15.829 33.985 27.429 1.00 23.41 O ATOM 686 CB PHE A 75 15.694 31.994 24.807 1.00 24.59 C ATOM 687 CG PHE A 75 14.934 31.681 23.548 1.00 24.58 C ATOM 688 CD1 PHE A 75 13.794 32.421 23.173 1.00 25.58 C ATOM 689 CD2 PHE A 75 15.317 30.624 22.742 1.00 24.83 C ATOM 690 CE1 PHE A 75 13.104 32.112 22.005 1.00 25.07 C ATOM 691 CE2 PHE A 75 14.618 30.315 21.581 1.00 25.53 C ATOM 692 CZ PHE A 75 13.515 31.068 21.218 1.00 25.09 C ATOM 693 H PHE A 75 17.022 33.617 23.274 1.00 0.00 H ATOM 694 N GLN A 76 17.840 33.484 26.514 1.00 22.28 N ATOM 695 CA GLN A 76 18.539 33.678 27.798 1.00 23.89 C ATOM 696 C GLN A 76 18.362 35.080 28.331 1.00 22.69 C ATOM 697 O GLN A 76 18.198 35.259 29.539 1.00 25.26 O ATOM 698 CB GLN A 76 20.027 33.315 27.713 1.00 24.46 C ATOM 699 CG GLN A 76 20.690 33.210 29.084 1.00 24.86 C ATOM 700 CD GLN A 76 20.122 32.113 29.961 1.00 25.17 C ATOM 701 OE1 GLN A 76 19.820 31.018 29.507 1.00 27.03 O ATOM 702 NE2 GLN A 76 19.946 32.417 31.238 1.00 29.18 N ATOM 703 HE22 GLN A 76 20.214 33.358 31.590 1.00 0.00 H ATOM 704 HE21 GLN A 76 19.540 31.715 31.889 1.00 0.00 H ATOM 705 H GLN A 76 18.373 33.210 25.664 1.00 0.00 H ATOM 706 N TYR A 77 18.403 36.078 27.460 1.00 23.25 N ATOM 707 CA TYR A 77 18.139 37.477 27.867 1.00 24.04 C ATOM 708 C TYR A 77 16.758 37.598 28.527 1.00 24.06 C ATOM 709 O TYR A 77 16.615 38.220 29.591 1.00 23.64 O ATOM 710 CB TYR A 77 18.233 38.464 26.694 1.00 25.38 C ATOM 711 CG TYR A 77 17.516 39.765 27.006 1.00 25.42 C ATOM 712 CD1 TYR A 77 18.103 40.748 27.804 1.00 24.81 C ATOM 713 CD2 TYR A 77 16.216 39.996 26.538 1.00 26.88 C ATOM 714 CE1 TYR A 77 17.418 41.920 28.124 1.00 25.32 C ATOM 715 CE2 TYR A 77 15.527 41.170 26.855 1.00 26.49 C ATOM 716 CZ TYR A 77 16.123 42.125 27.656 1.00 27.38 C ATOM 717 OH TYR A 77 15.444 43.305 27.940 1.00 25.28 O ATOM 718 HH TYR A 77 16.006 43.876 28.521 1.00 0.00 H ATOM 719 H TYR A 77 18.626 35.873 26.465 1.00 0.00 H ATOM 720 N ILE A 78 15.751 36.993 27.904 1.00 24.80 N ATOM 721 CA ILE A 78 14.392 37.079 28.457 1.00 25.12 C ATOM 722 C ILE A 78 14.329 36.430 29.847 1.00 24.45 C ATOM 723 O ILE A 78 13.678 36.958 30.765 1.00 25.24 O ATOM 724 CB ILE A 78 13.350 36.453 27.533 1.00 25.16 C ATOM 725 CG1 ILE A 78 13.377 37.135 26.154 1.00 25.77 C ATOM 726 CG2 ILE A 78 11.949 36.595 28.145 1.00 25.41 C ATOM 727 CD1 ILE A 78 12.570 36.408 25.094 1.00 25.52 C ATOM 728 H ILE A 78 15.925 36.460 27.028 1.00 0.00 H ATOM 729 N ILE A 79 15.006 35.289 29.991 1.00 25.31 N ATOM 730 CA ILE A 79 15.107 34.575 31.255 1.00 25.76 C ATOM 731 C ILE A 79 15.794 35.477 32.281 1.00 26.65 C ATOM 732 O ILE A 79 15.249 35.721 33.358 1.00 28.42 O ATOM 733 CB ILE A 79 15.888 33.237 31.104 1.00 26.94 C ATOM 734 CG1 ILE A 79 15.098 32.248 30.230 1.00 26.86 C ATOM 735 CG2 ILE A 79 16.162 32.603 32.468 1.00 26.26 C ATOM 736 CD1 ILE A 79 15.907 31.055 29.763 1.00 27.38 C ATOM 737 H ILE A 79 15.485 34.890 29.159 1.00 0.00 H ATOM 738 N ASP A 80 17.000 35.950 31.955 1.00 27.28 N ATOM 739 CA ASP A 80 17.785 36.792 32.858 1.00 27.58 C ATOM 740 C ASP A 80 17.038 38.084 33.224 1.00 28.78 C ATOM 741 O ASP A 80 17.073 38.560 34.367 1.00 26.80 O ATOM 742 CB ASP A 80 19.119 37.200 32.217 1.00 27.39 C ATOM 743 CG ASP A 80 20.052 36.019 31.972 1.00 28.97 C ATOM 744 OD1 ASP A 80 19.814 34.915 32.510 1.00 30.46 O ATOM 745 OD2 ASP A 80 21.024 36.216 31.207 1.00 29.12 O ATOM 746 H ASP A 80 17.396 35.711 31.024 1.00 0.00 H ATOM 747 N ASN A 81 16.377 38.663 32.238 1.00 27.20 N ATOM 748 CA ASN A 81 15.647 39.921 32.429 1.00 28.00 C ATOM 749 C ASN A 81 14.320 39.776 33.174 1.00 27.06 C ATOM 750 O ASN A 81 13.723 40.779 33.570 1.00 27.63 O ATOM 751 CB ASN A 81 15.403 40.565 31.049 1.00 27.55 C ATOM 752 CG ASN A 81 14.944 41.999 31.140 1.00 28.79 C ATOM 753 OD1 ASN A 81 15.622 42.862 31.715 1.00 28.03 O ATOM 754 ND2 ASN A 81 13.798 42.293 30.524 1.00 27.97 N ATOM 755 HD22 ASN A 81 13.254 41.543 30.051 1.00 0.00 H ATOM 756 HD21 ASN A 81 13.448 43.272 30.517 1.00 0.00 H ATOM 757 H ASN A 81 16.374 38.214 31.300 1.00 0.00 H ATOM 758 N LYS A 82 13.852 38.541 33.303 1.00 26.43 N ATOM 759 CA LYS A 82 12.560 38.189 33.895 1.00 28.89 C ATOM 760 C LYS A 82 11.384 38.784 33.103 1.00 28.56 C ATOM 761 O LYS A 82 10.297 38.997 33.647 1.00 27.15 O ATOM 762 CB LYS A 82 12.502 38.571 35.385 1.00 31.32 C ATOM 763 CG LYS A 82 13.663 38.008 36.191 1.00 34.43 C ATOM 764 CD LYS A 82 13.482 38.333 37.671 1.00 37.88 C ATOM 765 CE LYS A 82 14.368 37.477 38.558 1.00 42.08 C ATOM 766 NZ LYS A 82 15.816 37.613 38.262 1.00 44.88 N ATOM 767 HZ1 LYS A 82 15.995 37.330 37.278 1.00 0.00 H ATOM 768 HZ2 LYS A 82 16.105 38.603 38.397 1.00 0.00 H ATOM 769 HZ3 LYS A 82 16.359 37.001 38.905 1.00 0.00 H ATOM 770 H LYS A 82 14.449 37.763 32.957 1.00 0.00 H ATOM 771 N GLY A 83 11.593 39.014 31.805 1.00 28.53 N ATOM 772 CA GLY A 83 10.486 39.386 30.950 1.00 28.96 C ATOM 773 C GLY A 83 10.856 39.979 29.609 1.00 27.41 C ATOM 774 O GLY A 83 12.009 40.315 29.343 1.00 26.12 O ATOM 775 H GLY A 83 12.550 38.926 31.408 1.00 0.00 H ATOM 776 N ILE A 84 9.825 40.115 28.783 1.00 25.22 N ATOM 777 CA ILE A 84 9.909 40.857 27.518 1.00 24.04 C ATOM 778 C ILE A 84 8.598 41.640 27.368 1.00 23.78 C ATOM 779 O ILE A 84 7.534 41.167 27.778 1.00 25.38 O ATOM 780 CB ILE A 84 10.138 39.882 26.343 1.00 23.79 C ATOM 781 CG1 ILE A 84 10.295 40.649 25.009 1.00 23.74 C ATOM 782 CG2 ILE A 84 9.055 38.818 26.331 1.00 25.59 C ATOM 783 CD1 ILE A 84 10.751 39.774 23.867 1.00 24.32 C ATOM 784 H ILE A 84 8.918 39.677 29.043 1.00 0.00 H ATOM 785 N ASP A 85 8.702 42.835 26.829 1.00 24.31 N ATOM 786 CA ASP A 85 7.560 43.718 26.615 1.00 23.83 C ATOM 787 C ASP A 85 6.750 43.303 25.381 1.00 25.12 C ATOM 788 O ASP A 85 7.242 42.598 24.497 1.00 24.43 O ATOM 789 CB ASP A 85 8.037 45.155 26.469 1.00 23.75 C ATOM 790 CG ASP A 85 8.536 45.752 27.788 1.00 24.40 C ATOM 791 OD1 ASP A 85 8.096 45.265 28.845 1.00 25.74 O ATOM 792 OD2 ASP A 85 9.336 46.707 27.734 1.00 24.43 O ATOM 793 H ASP A 85 9.645 43.167 26.541 1.00 0.00 H ATOM 794 N SER A 86 5.495 43.746 25.319 1.00 24.92 N ATOM 795 CA SER A 86 4.692 43.530 24.120 1.00 23.47 C ATOM 796 C SER A 86 5.213 44.360 22.952 1.00 22.98 C ATOM 797 O SER A 86 5.849 45.406 23.124 1.00 24.75 O ATOM 798 CB SER A 86 3.219 43.902 24.382 1.00 24.79 C ATOM 799 OG SER A 86 3.135 45.283 24.564 1.00 24.98 O ATOM 800 HG SER A 86 3.693 45.547 25.338 1.00 0.00 H ATOM 801 H SER A 86 5.085 44.249 26.131 1.00 0.00 H ATOM 802 N ASP A 87 4.905 43.913 21.744 1.00 23.45 N ATOM 803 CA ASP A 87 5.171 44.695 20.558 1.00 25.85 C ATOM 804 C ASP A 87 4.463 46.059 20.611 1.00 24.80 C ATOM 805 O ASP A 87 5.026 47.074 20.238 1.00 24.49 O ATOM 806 CB ASP A 87 4.728 43.929 19.333 1.00 27.70 C ATOM 807 CG ASP A 87 5.151 44.593 18.045 1.00 31.85 C ATOM 808 OD1 ASP A 87 6.352 44.888 17.862 1.00 33.62 O ATOM 809 OD2 ASP A 87 4.267 44.833 17.218 1.00 35.39 O ATOM 810 H ASP A 87 4.461 42.977 21.647 1.00 0.00 H ATOM 811 N ALA A 88 3.213 46.073 21.049 1.00 27.09 N ATOM 812 CA ALA A 88 2.448 47.336 21.105 1.00 27.58 C ATOM 813 C ALA A 88 3.132 48.381 21.996 1.00 27.83 C ATOM 814 O ALA A 88 3.166 49.560 21.662 1.00 29.14 O ATOM 815 CB ALA A 88 1.040 47.075 21.597 1.00 28.25 C ATOM 816 H ALA A 88 2.765 45.186 21.357 1.00 0.00 H ATOM 817 N SER A 89 3.685 47.934 23.117 1.00 27.95 N ATOM 818 CA SER A 89 4.317 48.842 24.089 1.00 29.12 C ATOM 819 C SER A 89 5.730 49.258 23.691 1.00 28.95 C ATOM 820 O SER A 89 6.215 50.305 24.112 1.00 28.38 O ATOM 821 CB SER A 89 4.352 48.180 25.463 1.00 29.11 C ATOM 822 OG SER A 89 5.344 47.150 25.496 1.00 29.87 O ATOM 823 HG SER A 89 5.130 46.466 24.813 1.00 0.00 H ATOM 824 H SER A 89 3.672 46.913 23.314 1.00 0.00 H ATOM 825 N TYR A 90 6.390 48.434 22.879 1.00 28.28 N ATOM 826 CA TYR A 90 7.783 48.632 22.532 1.00 28.37 C ATOM 827 C TYR A 90 7.917 48.301 21.036 1.00 28.44 C ATOM 828 O TYR A 90 8.411 47.220 20.659 1.00 27.10 O ATOM 829 CB TYR A 90 8.644 47.710 23.408 1.00 26.81 C ATOM 830 CG TYR A 90 10.127 48.061 23.501 1.00 26.73 C ATOM 831 CD1 TYR A 90 10.896 47.663 24.599 1.00 27.83 C ATOM 832 CD2 TYR A 90 10.766 48.762 22.495 1.00 27.72 C ATOM 833 CE1 TYR A 90 12.252 47.972 24.680 1.00 27.03 C ATOM 834 CE2 TYR A 90 12.128 49.082 22.568 1.00 27.42 C ATOM 835 CZ TYR A 90 12.867 48.667 23.672 1.00 28.03 C ATOM 836 OH TYR A 90 14.225 48.947 23.748 1.00 28.36 O ATOM 837 HH TYR A 90 14.690 48.531 22.980 1.00 0.00 H ATOM 838 H TYR A 90 5.886 47.617 22.479 1.00 0.00 H ATOM 839 N PRO A 91 7.460 49.217 20.183 1.00 29.05 N ATOM 840 CA PRO A 91 7.301 48.895 18.769 1.00 29.03 C ATOM 841 C PRO A 91 8.597 48.823 17.992 1.00 28.21 C ATOM 842 O PRO A 91 9.616 49.391 18.399 1.00 26.47 O ATOM 843 CB PRO A 91 6.469 50.056 18.217 1.00 30.88 C ATOM 844 CG PRO A 91 6.006 50.842 19.397 1.00 32.25 C ATOM 845 CD PRO A 91 6.940 50.554 20.516 1.00 30.74 C ATOM 846 N TYR A 92 8.512 48.177 16.831 1.00 28.93 N ATOM 847 CA TYR A 92 9.685 47.906 16.010 1.00 27.56 C ATOM 848 C TYR A 92 10.014 49.075 15.101 1.00 30.22 C ATOM 849 O TYR A 92 9.149 49.562 14.348 1.00 29.50 O ATOM 850 CB TYR A 92 9.459 46.621 15.192 1.00 28.65 C ATOM 851 CG TYR A 92 10.611 46.218 14.315 1.00 26.65 C ATOM 852 CD1 TYR A 92 11.777 45.699 14.859 1.00 27.32 C ATOM 853 CD2 TYR A 92 10.543 46.374 12.937 1.00 28.70 C ATOM 854 CE1 TYR A 92 12.845 45.337 14.054 1.00 26.63 C ATOM 855 CE2 TYR A 92 11.605 46.020 12.122 1.00 26.82 C ATOM 856 CZ TYR A 92 12.755 45.503 12.682 1.00 26.60 C ATOM 857 OH TYR A 92 13.800 45.126 11.878 1.00 24.83 O ATOM 858 HH TYR A 92 14.116 45.909 11.361 1.00 0.00 H ATOM 859 H TYR A 92 7.580 47.856 16.500 1.00 0.00 H ATOM 860 N LYS A 93 11.271 49.503 15.151 1.00 28.18 N ATOM 861 CA LYS A 93 11.743 50.659 14.414 1.00 30.82 C ATOM 862 C LYS A 93 12.805 50.343 13.382 1.00 29.93 C ATOM 863 O LYS A 93 13.245 51.236 12.677 1.00 29.31 O ATOM 864 CB LYS A 93 12.286 51.697 15.406 1.00 34.45 C ATOM 865 CG LYS A 93 11.254 52.153 16.416 1.00 38.80 C ATOM 866 CD LYS A 93 10.149 52.942 15.727 1.00 45.56 C ATOM 867 CE LYS A 93 9.034 53.342 16.688 1.00 50.18 C ATOM 868 NZ LYS A 93 9.556 53.983 17.936 1.00 54.16 N ATOM 869 HZ1 LYS A 93 10.182 53.316 18.431 1.00 0.00 H ATOM 870 HZ2 LYS A 93 10.088 54.841 17.687 1.00 0.00 H ATOM 871 HZ3 LYS A 93 8.759 54.235 18.554 1.00 0.00 H ATOM 872 H LYS A 93 11.948 48.985 15.747 1.00 0.00 H ATOM 873 N ALA A 94 13.239 49.088 13.298 1.00 29.07 N ATOM 874 CA ALA A 94 14.248 48.688 12.317 1.00 29.41 C ATOM 875 C ALA A 94 15.523 49.524 12.442 1.00 30.53 C ATOM 876 O ALA A 94 16.136 49.894 11.442 1.00 29.80 O ATOM 877 CB ALA A 94 13.694 48.717 10.880 1.00 29.29 C ATOM 878 H ALA A 94 12.851 48.373 13.946 1.00 0.00 H ATOM 879 N MET A 95 15.909 49.807 13.678 1.00 29.74 N ATOM 880 CA MET A 95 17.192 50.421 13.977 1.00 33.69 C ATOM 881 C MET A 95 17.590 50.075 15.398 1.00 32.83 C ATOM 882 O MET A 95 16.757 49.678 16.196 1.00 31.90 O ATOM 883 CB MET A 95 17.152 51.936 13.776 1.00 37.75 C ATOM 884 CG MET A 95 15.947 52.632 14.350 1.00 42.93 C ATOM 885 SD MET A 95 15.895 54.387 13.901 1.00 52.18 S ATOM 886 CE MET A 95 15.759 54.358 12.120 1.00 49.34 C ATOM 887 H MET A 95 15.268 49.581 14.465 1.00 0.00 H ATOM 888 N ASP A 96 18.883 50.187 15.683 1.00 32.18 N ATOM 889 CA ASP A 96 19.412 49.992 17.018 1.00 32.77 C ATOM 890 C ASP A 96 19.061 51.219 17.856 1.00 31.80 C ATOM 891 O ASP A 96 19.266 52.348 17.414 1.00 33.08 O ATOM 892 CB ASP A 96 20.933 49.851 16.980 1.00 34.91 C ATOM 893 CG ASP A 96 21.395 48.644 16.190 1.00 35.81 C ATOM 894 OD1 ASP A 96 20.724 47.606 16.207 1.00 36.04 O ATOM 895 OD2 ASP A 96 22.443 48.743 15.526 1.00 42.71 O ATOM 896 H ASP A 96 19.543 50.425 14.915 1.00 0.00 H ATOM 897 N GLN A 97 18.527 50.985 19.041 1.00 31.34 N ATOM 898 CA GLN A 97 18.202 52.058 19.975 1.00 33.02 C ATOM 899 C GLN A 97 18.692 51.687 21.358 1.00 33.73 C ATOM 900 O GLN A 97 19.069 50.532 21.615 1.00 32.89 O ATOM 901 CB GLN A 97 16.694 52.259 20.076 1.00 33.92 C ATOM 902 CG GLN A 97 15.911 52.124 18.786 1.00 36.68 C ATOM 903 CD GLN A 97 14.411 52.273 19.032 1.00 38.82 C ATOM 904 OE1 GLN A 97 13.798 51.523 19.829 1.00 38.28 O ATOM 905 NE2 GLN A 97 13.820 53.253 18.383 1.00 38.32 N ATOM 906 HE22 GLN A 97 14.368 53.850 17.731 1.00 0.00 H ATOM 907 HE21 GLN A 97 12.805 53.431 18.522 1.00 0.00 H ATOM 908 H GLN A 97 18.331 50.002 19.318 1.00 0.00 H ATOM 909 N LYS A 98 18.643 52.668 22.261 1.00 33.63 N ATOM 910 CA LYS A 98 18.924 52.424 23.682 1.00 33.72 C ATOM 911 C LYS A 98 17.879 51.473 24.265 1.00 32.43 C ATOM 912 O LYS A 98 16.719 51.475 23.835 1.00 34.63 O ATOM 913 CB LYS A 98 18.957 53.762 24.458 1.00 36.92 C ATOM 914 CG LYS A 98 20.132 54.673 24.096 1.00 37.93 C ATOM 915 H LYS A 98 18.400 53.630 21.951 1.00 0.00 H ATOM 916 N CYS A 99 18.298 50.627 25.197 1.00 31.68 N ATOM 917 CA CYS A 99 17.413 49.689 25.848 1.00 33.19 C ATOM 918 C CYS A 99 16.352 50.452 26.636 1.00 34.22 C ATOM 919 O CYS A 99 16.686 51.300 27.446 1.00 33.05 O ATOM 920 CB CYS A 99 18.171 48.746 26.794 1.00 35.83 C ATOM 921 SG CYS A 99 17.071 47.528 27.601 1.00 39.86 S ATOM 922 H CYS A 99 19.302 50.640 25.469 1.00 0.00 H ATOM 923 N GLN A 100 15.087 50.168 26.351 1.00 32.26 N ATOM 924 CA GLN A 100 13.966 50.879 26.962 1.00 33.92 C ATOM 925 C GLN A 100 12.995 49.911 27.621 1.00 32.00 C ATOM 926 O GLN A 100 11.830 50.234 27.792 1.00 29.68 O ATOM 927 CB GLN A 100 13.251 51.714 25.893 1.00 35.26 C ATOM 928 CG GLN A 100 14.096 52.853 25.356 1.00 39.27 C ATOM 929 CD GLN A 100 13.668 53.302 23.969 1.00 43.67 C ATOM 930 OE1 GLN A 100 12.650 53.990 23.815 1.00 45.46 O ATOM 931 NE2 GLN A 100 14.448 52.936 22.952 1.00 42.05 N ATOM 932 HE22 GLN A 100 15.294 52.357 23.128 1.00 0.00 H ATOM 933 HE21 GLN A 100 14.210 53.229 21.983 1.00 0.00 H ATOM 934 H GLN A 100 14.886 49.411 25.667 1.00 0.00 H ATOM 935 N TYR A 101 13.469 48.720 27.975 1.00 27.77 N ATOM 936 CA TYR A 101 12.631 47.753 28.637 1.00 29.55 C ATOM 937 C TYR A 101 12.008 48.349 29.899 1.00 31.62 C ATOM 938 O TYR A 101 12.700 49.023 30.661 1.00 28.73 O ATOM 939 CB TYR A 101 13.416 46.499 29.050 1.00 27.67 C ATOM 940 CG TYR A 101 12.586 45.546 29.850 1.00 26.78 C ATOM 941 CD1 TYR A 101 11.665 44.706 29.225 1.00 27.31 C ATOM 942 CD2 TYR A 101 12.650 45.505 31.252 1.00 26.22 C ATOM 943 CE1 TYR A 101 10.876 43.847 29.940 1.00 26.50 C ATOM 944 CE2 TYR A 101 11.848 44.646 31.968 1.00 24.59 C ATOM 945 CZ TYR A 101 10.957 43.825 31.314 1.00 25.45 C ATOM 946 OH TYR A 101 10.183 42.940 32.003 1.00 26.75 O ATOM 947 HH TYR A 101 10.765 42.306 32.493 1.00 0.00 H ATOM 948 H TYR A 101 14.461 48.483 27.771 1.00 0.00 H ATOM 949 N ASP A 102 10.716 48.079 30.097 1.00 29.67 N ATOM 950 CA ASP A 102 9.994 48.450 31.318 1.00 31.27 C ATOM 951 C ASP A 102 9.066 47.309 31.696 1.00 29.77 C ATOM 952 O ASP A 102 8.253 46.850 30.889 1.00 29.40 O ATOM 953 CB ASP A 102 9.200 49.731 31.062 1.00 32.87 C ATOM 954 CG ASP A 102 8.580 50.304 32.312 1.00 33.14 C ATOM 955 OD1 ASP A 102 8.336 49.559 33.299 1.00 32.14 O ATOM 956 OD2 ASP A 102 8.279 51.506 32.239 1.00 36.50 O ATOM 957 H ASP A 102 10.195 47.580 29.348 1.00 0.00 H ATOM 958 N SER A 103 9.157 46.855 32.934 1.00 27.88 N ATOM 959 CA SER A 103 8.390 45.708 33.365 1.00 29.53 C ATOM 960 C SER A 103 6.884 45.987 33.406 1.00 30.09 C ATOM 961 O SER A 103 6.092 45.056 33.421 1.00 29.60 O ATOM 962 CB SER A 103 8.866 45.197 34.736 1.00 33.92 C ATOM 963 OG SER A 103 8.581 46.150 35.735 1.00 34.85 O ATOM 964 HG SER A 103 8.891 45.810 36.612 1.00 0.00 H ATOM 965 H SER A 103 9.790 47.330 33.608 1.00 0.00 H ATOM 966 N LYS A 104 6.486 47.252 33.417 1.00 32.33 N ATOM 967 CA LYS A 104 5.054 47.543 33.444 1.00 35.79 C ATOM 968 C LYS A 104 4.384 47.167 32.116 1.00 33.67 C ATOM 969 O LYS A 104 3.172 47.024 32.054 1.00 36.20 O ATOM 970 CB LYS A 104 4.799 48.989 33.791 1.00 40.43 C ATOM 971 CG LYS A 104 5.051 49.986 32.690 1.00 45.37 C ATOM 972 CD LYS A 104 4.584 51.364 33.134 1.00 54.38 C ATOM 973 CE LYS A 104 3.077 51.498 32.937 1.00 59.96 C ATOM 974 NZ LYS A 104 2.604 52.901 33.106 1.00 67.48 N ATOM 975 HZ1 LYS A 104 2.833 53.230 34.066 1.00 0.00 H ATOM 976 HZ2 LYS A 104 3.075 53.511 32.408 1.00 0.00 H ATOM 977 HZ3 LYS A 104 1.575 52.938 32.962 1.00 0.00 H ATOM 978 H LYS A 104 7.182 48.025 33.407 1.00 0.00 H ATOM 979 N TYR A 105 5.195 47.016 31.071 1.00 32.00 N ATOM 980 CA TYR A 105 4.731 46.580 29.757 1.00 31.10 C ATOM 981 C TYR A 105 5.099 45.123 29.428 1.00 30.06 C ATOM 982 O TYR A 105 4.959 44.698 28.274 1.00 27.48 O ATOM 983 CB TYR A 105 5.317 47.500 28.707 1.00 30.81 C ATOM 984 CG TYR A 105 4.953 48.960 28.898 1.00 33.15 C ATOM 985 CD1 TYR A 105 3.632 49.351 29.113 1.00 32.79 C ATOM 986 CD2 TYR A 105 5.932 49.949 28.836 1.00 37.80 C ATOM 987 CE1 TYR A 105 3.297 50.683 29.271 1.00 38.05 C ATOM 988 CE2 TYR A 105 5.611 51.289 28.997 1.00 39.56 C ATOM 989 CZ TYR A 105 4.296 51.652 29.213 1.00 41.02 C ATOM 990 OH TYR A 105 3.978 52.990 29.382 1.00 45.68 O ATOM 991 HH TYR A 105 3.003 53.081 29.526 1.00 0.00 H ATOM 992 H TYR A 105 6.207 47.218 31.197 1.00 0.00 H ATOM 993 N ARG A 106 5.532 44.360 30.433 1.00 27.74 N ATOM 994 CA ARG A 106 5.842 42.948 30.275 1.00 29.55 C ATOM 995 C ARG A 106 4.622 42.170 29.784 1.00 30.31 C ATOM 996 O ARG A 106 3.545 42.247 30.391 1.00 29.60 O ATOM 997 CB ARG A 106 6.311 42.325 31.605 1.00 30.91 C ATOM 998 CG ARG A 106 6.789 40.880 31.482 1.00 33.86 C ATOM 999 CD ARG A 106 6.766 40.139 32.805 1.00 38.02 C ATOM 1000 NE ARG A 106 7.839 40.571 33.672 1.00 45.37 N ATOM 1001 CZ ARG A 106 7.711 41.260 34.809 1.00 47.11 C ATOM 1002 NH1 ARG A 106 6.525 41.663 35.267 1.00 47.58 N ATOM 1003 NH2 ARG A 106 8.814 41.581 35.481 1.00 46.77 N ATOM 1004 HE ARG A 106 8.806 40.321 33.382 1.00 0.00 H ATOM 1005 HH12 ARG A 106 6.466 42.198 36.157 1.00 0.00 H ATOM 1006 HH11 ARG A 106 5.660 41.442 34.734 1.00 0.00 H ATOM 1007 HH22 ARG A 106 8.744 42.117 36.369 1.00 0.00 H ATOM 1008 HH21 ARG A 106 9.746 41.296 35.118 1.00 0.00 H ATOM 1009 H ARG A 106 5.653 44.794 31.370 1.00 0.00 H ATOM 1010 N ALA A 107 4.806 41.404 28.706 1.00 27.56 N ATOM 1011 CA ALA A 107 3.754 40.539 28.179 1.00 27.82 C ATOM 1012 C ALA A 107 4.086 39.047 28.244 1.00 28.07 C ATOM 1013 O ALA A 107 3.196 38.199 28.070 1.00 27.55 O ATOM 1014 CB ALA A 107 3.445 40.944 26.754 1.00 28.67 C ATOM 1015 H ALA A 107 5.728 41.424 28.226 1.00 0.00 H ATOM 1016 N ALA A 108 5.354 38.715 28.480 1.00 26.34 N ATOM 1017 CA ALA A 108 5.743 37.331 28.610 1.00 26.08 C ATOM 1018 C ALA A 108 7.000 37.192 29.459 1.00 25.21 C ATOM 1019 O ALA A 108 7.751 38.148 29.628 1.00 24.56 O ATOM 1020 CB ALA A 108 6.011 36.729 27.238 1.00 27.23 C ATOM 1021 H ALA A 108 6.072 39.462 28.572 1.00 0.00 H ATOM 1022 N THR A 109 7.202 35.972 29.938 1.00 26.14 N ATOM 1023 CA THR A 109 8.425 35.537 30.602 1.00 27.77 C ATOM 1024 C THR A 109 8.909 34.266 29.888 1.00 28.10 C ATOM 1025 O THR A 109 8.234 33.718 29.033 1.00 29.53 O ATOM 1026 CB THR A 109 8.176 35.207 32.097 1.00 28.89 C ATOM 1027 OG1 THR A 109 7.167 34.190 32.214 1.00 29.59 O ATOM 1028 CG2 THR A 109 7.731 36.414 32.845 1.00 30.43 C ATOM 1029 HG1 THR A 109 6.325 34.514 31.807 1.00 0.00 H ATOM 1030 H THR A 109 6.435 35.278 29.833 1.00 0.00 H ATOM 1031 N CYS A 110 10.080 33.803 30.279 1.00 28.00 N ATOM 1032 CA CYS A 110 10.666 32.582 29.771 1.00 28.16 C ATOM 1033 C CYS A 110 11.435 31.968 30.938 1.00 27.94 C ATOM 1034 O CYS A 110 12.128 32.684 31.682 1.00 29.91 O ATOM 1035 CB CYS A 110 11.600 32.888 28.576 1.00 28.56 C ATOM 1036 SG CYS A 110 12.411 31.426 27.867 1.00 30.37 S ATOM 1037 H CYS A 110 10.611 34.345 30.991 1.00 0.00 H ATOM 1038 N SER A 111 11.294 30.665 31.130 1.00 28.88 N ATOM 1039 CA SER A 111 12.021 29.982 32.210 1.00 31.02 C ATOM 1040 C SER A 111 13.220 29.165 31.727 1.00 30.08 C ATOM 1041 O SER A 111 14.135 28.909 32.498 1.00 28.63 O ATOM 1042 CB SER A 111 11.074 29.103 33.009 1.00 32.49 C ATOM 1043 OG SER A 111 10.458 28.135 32.180 1.00 36.08 O ATOM 1044 HG SER A 111 9.943 28.591 31.468 1.00 0.00 H ATOM 1045 H SER A 111 10.662 30.119 30.510 1.00 0.00 H ATOM 1046 N LYS A 112 13.207 28.746 30.465 1.00 26.90 N ATOM 1047 CA LYS A 112 14.255 27.876 29.936 1.00 28.49 C ATOM 1048 C LYS A 112 14.130 27.818 28.413 1.00 29.27 C ATOM 1049 O LYS A 112 13.120 28.239 27.851 1.00 26.47 O ATOM 1050 CB LYS A 112 14.134 26.464 30.531 1.00 29.91 C ATOM 1051 CG LYS A 112 12.858 25.736 30.137 1.00 33.42 C ATOM 1052 CD LYS A 112 12.731 24.386 30.822 1.00 37.70 C ATOM 1053 CE LYS A 112 13.483 23.299 30.079 1.00 40.52 C ATOM 1054 NZ LYS A 112 12.929 21.946 30.405 1.00 41.84 N ATOM 1055 HZ1 LYS A 112 13.016 21.774 31.427 1.00 0.00 H ATOM 1056 HZ2 LYS A 112 11.927 21.908 30.130 1.00 0.00 H ATOM 1057 HZ3 LYS A 112 13.461 21.220 29.884 1.00 0.00 H ATOM 1058 H LYS A 112 12.432 29.045 29.839 1.00 0.00 H ATOM 1059 N TYR A 113 15.151 27.282 27.757 1.00 26.26 N ATOM 1060 CA TYR A 113 15.046 26.981 26.330 1.00 24.74 C ATOM 1061 C TYR A 113 15.791 25.679 26.085 1.00 26.31 C ATOM 1062 O TYR A 113 16.613 25.252 26.912 1.00 25.98 O ATOM 1063 CB TYR A 113 15.586 28.128 25.457 1.00 25.05 C ATOM 1064 CG TYR A 113 17.074 28.370 25.605 1.00 26.45 C ATOM 1065 CD1 TYR A 113 17.583 29.231 26.594 1.00 28.33 C ATOM 1066 CD2 TYR A 113 17.977 27.736 24.761 1.00 26.91 C ATOM 1067 CE1 TYR A 113 18.959 29.430 26.742 1.00 27.55 C ATOM 1068 CE2 TYR A 113 19.357 27.928 24.912 1.00 28.38 C ATOM 1069 CZ TYR A 113 19.839 28.763 25.897 1.00 28.67 C ATOM 1070 OH TYR A 113 21.214 28.943 26.001 1.00 29.05 O ATOM 1071 HH TYR A 113 21.561 29.323 25.155 1.00 0.00 H ATOM 1072 H TYR A 113 16.035 27.074 28.263 1.00 0.00 H ATOM 1073 N THR A 114 15.499 25.058 24.952 1.00 25.31 N ATOM 1074 CA THR A 114 16.066 23.781 24.598 1.00 25.21 C ATOM 1075 C THR A 114 16.617 23.895 23.187 1.00 26.92 C ATOM 1076 O THR A 114 15.925 24.384 22.306 1.00 26.09 O ATOM 1077 CB THR A 114 14.981 22.674 24.690 1.00 26.36 C ATOM 1078 OG1 THR A 114 14.492 22.599 26.046 1.00 26.94 O ATOM 1079 CG2 THR A 114 15.529 21.325 24.261 1.00 26.69 C ATOM 1080 HG1 THR A 114 14.100 23.471 26.303 1.00 0.00 H ATOM 1081 H THR A 114 14.834 25.510 24.292 1.00 0.00 H ATOM 1082 N GLU A 115 17.860 23.459 23.000 1.00 25.82 N ATOM 1083 CA GLU A 115 18.482 23.368 21.687 1.00 27.03 C ATOM 1084 C GLU A 115 18.393 21.917 21.227 1.00 27.37 C ATOM 1085 O GLU A 115 18.811 20.996 21.952 1.00 27.00 O ATOM 1086 CB GLU A 115 19.950 23.825 21.753 1.00 28.30 C ATOM 1087 CG GLU A 115 20.117 25.297 22.110 1.00 29.40 C ATOM 1088 CD GLU A 115 21.555 25.708 22.412 1.00 30.13 C ATOM 1089 OE1 GLU A 115 22.368 25.909 21.488 1.00 31.65 O ATOM 1090 OE2 GLU A 115 21.865 25.856 23.606 1.00 30.76 O ATOM 1091 H GLU A 115 18.414 23.169 23.831 1.00 0.00 H ATOM 1092 N LEU A 116 17.851 21.696 20.039 1.00 25.90 N ATOM 1093 CA LEU A 116 17.703 20.350 19.516 1.00 26.10 C ATOM 1094 C LEU A 116 19.008 19.848 18.930 1.00 24.80 C ATOM 1095 O LEU A 116 19.855 20.648 18.549 1.00 24.58 O ATOM 1096 CB LEU A 116 16.623 20.332 18.436 1.00 28.11 C ATOM 1097 CG LEU A 116 15.202 20.693 18.897 1.00 29.49 C ATOM 1098 CD1 LEU A 116 14.178 20.322 17.826 1.00 30.05 C ATOM 1099 CD2 LEU A 116 14.817 20.038 20.194 1.00 33.56 C ATOM 1100 H LEU A 116 17.525 22.503 19.469 1.00 0.00 H ATOM 1101 N PRO A 117 19.174 18.522 18.856 1.00 25.24 N ATOM 1102 CA PRO A 117 20.412 18.009 18.264 1.00 25.80 C ATOM 1103 C PRO A 117 20.590 18.355 16.791 1.00 26.09 C ATOM 1104 O PRO A 117 19.615 18.398 16.024 1.00 27.75 O ATOM 1105 CB PRO A 117 20.309 16.490 18.464 1.00 25.46 C ATOM 1106 CG PRO A 117 18.848 16.228 18.638 1.00 27.03 C ATOM 1107 CD PRO A 117 18.303 17.438 19.346 1.00 25.87 C ATOM 1108 N TYR A 118 21.837 18.591 16.410 1.00 24.95 N ATOM 1109 CA TYR A 118 22.177 19.073 15.088 1.00 25.63 C ATOM 1110 C TYR A 118 21.686 18.164 13.960 1.00 26.29 C ATOM 1111 O TYR A 118 22.034 16.971 13.879 1.00 24.28 O ATOM 1112 CB TYR A 118 23.692 19.315 14.961 1.00 25.57 C ATOM 1113 CG TYR A 118 24.095 19.835 13.605 1.00 23.82 C ATOM 1114 CD1 TYR A 118 24.190 21.195 13.369 1.00 24.29 C ATOM 1115 CD2 TYR A 118 24.323 18.971 12.541 1.00 24.99 C ATOM 1116 CE1 TYR A 118 24.505 21.691 12.121 1.00 24.19 C ATOM 1117 CE2 TYR A 118 24.670 19.461 11.293 1.00 25.42 C ATOM 1118 CZ TYR A 118 24.750 20.829 11.087 1.00 24.12 C ATOM 1119 OH TYR A 118 25.081 21.342 9.846 1.00 25.94 O ATOM 1120 HH TYR A 118 25.089 22.331 9.890 1.00 0.00 H ATOM 1121 H TYR A 118 22.605 18.423 17.091 1.00 0.00 H ATOM 1122 N GLY A 119 20.931 18.757 13.042 1.00 25.43 N ATOM 1123 CA GLY A 119 20.618 18.097 11.785 1.00 23.47 C ATOM 1124 C GLY A 119 19.532 17.030 11.835 1.00 24.68 C ATOM 1125 O GLY A 119 19.246 16.420 10.809 1.00 25.58 O ATOM 1126 H GLY A 119 20.557 19.710 13.226 1.00 0.00 H ATOM 1127 N ARG A 120 18.920 16.811 13.006 1.00 24.47 N ATOM 1128 CA ARG A 120 17.981 15.711 13.205 1.00 25.33 C ATOM 1129 C ARG A 120 16.546 16.170 12.884 1.00 24.97 C ATOM 1130 O ARG A 120 15.877 16.789 13.704 1.00 23.71 O ATOM 1131 CB ARG A 120 18.068 15.195 14.639 1.00 26.68 C ATOM 1132 CG ARG A 120 19.419 14.541 14.962 1.00 29.27 C ATOM 1133 CD ARG A 120 19.531 13.179 14.253 1.00 33.36 C ATOM 1134 NE ARG A 120 18.373 12.301 14.546 1.00 38.03 N ATOM 1135 CZ ARG A 120 18.209 11.544 15.632 1.00 39.46 C ATOM 1136 NH1 ARG A 120 19.134 11.512 16.585 1.00 44.04 N ATOM 1137 NH2 ARG A 120 17.115 10.792 15.773 1.00 39.35 N ATOM 1138 HE ARG A 120 17.614 12.272 13.835 1.00 0.00 H ATOM 1139 HH12 ARG A 120 18.993 10.917 17.427 1.00 0.00 H ATOM 1140 HH11 ARG A 120 19.999 12.082 16.490 1.00 0.00 H ATOM 1141 HH22 ARG A 120 16.994 10.204 16.622 1.00 0.00 H ATOM 1142 HH21 ARG A 120 16.384 10.794 15.033 1.00 0.00 H ATOM 1143 H ARG A 120 19.121 17.448 13.803 1.00 0.00 H ATOM 1144 N GLU A 121 16.097 15.871 11.676 1.00 24.81 N ATOM 1145 CA GLU A 121 14.783 16.356 11.237 1.00 25.02 C ATOM 1146 C GLU A 121 13.647 15.596 11.895 1.00 26.91 C ATOM 1147 O GLU A 121 12.535 16.141 12.034 1.00 26.31 O ATOM 1148 CB GLU A 121 14.677 16.290 9.711 1.00 25.66 C ATOM 1149 CG GLU A 121 15.516 17.354 9.019 1.00 25.33 C ATOM 1150 CD GLU A 121 15.287 17.431 7.518 1.00 24.71 C ATOM 1151 OE1 GLU A 121 14.316 18.098 7.103 1.00 26.07 O ATOM 1152 OE2 GLU A 121 16.107 16.883 6.756 1.00 26.78 O ATOM 1153 H GLU A 121 16.676 15.291 11.036 1.00 0.00 H ATOM 1154 N ASP A 122 13.915 14.351 12.298 1.00 25.68 N ATOM 1155 CA ASP A 122 12.938 13.576 13.058 1.00 29.06 C ATOM 1156 C ASP A 122 12.684 14.181 14.452 1.00 28.24 C ATOM 1157 O ASP A 122 11.533 14.244 14.920 1.00 28.50 O ATOM 1158 CB ASP A 122 13.342 12.098 13.142 1.00 31.53 C ATOM 1159 CG ASP A 122 14.768 11.876 13.693 1.00 35.14 C ATOM 1160 OD1 ASP A 122 15.591 12.821 13.796 1.00 36.74 O ATOM 1161 OD2 ASP A 122 15.082 10.707 14.018 1.00 40.29 O ATOM 1162 H ASP A 122 14.836 13.926 12.066 1.00 0.00 H ATOM 1163 N VAL A 123 13.749 14.660 15.093 1.00 24.49 N ATOM 1164 CA VAL A 123 13.639 15.304 16.397 1.00 25.69 C ATOM 1165 C VAL A 123 12.929 16.653 16.258 1.00 25.66 C ATOM 1166 O VAL A 123 12.105 17.035 17.094 1.00 26.02 O ATOM 1167 CB VAL A 123 15.026 15.447 17.069 1.00 25.81 C ATOM 1168 CG1 VAL A 123 14.910 16.126 18.433 1.00 26.06 C ATOM 1169 CG2 VAL A 123 15.667 14.071 17.216 1.00 26.75 C ATOM 1170 H VAL A 123 14.686 14.572 14.651 1.00 0.00 H ATOM 1171 N LEU A 124 13.219 17.356 15.167 1.00 27.13 N ATOM 1172 CA LEU A 124 12.559 18.616 14.908 1.00 25.84 C ATOM 1173 C LEU A 124 11.059 18.389 14.729 1.00 26.05 C ATOM 1174 O LEU A 124 10.265 19.173 15.222 1.00 26.02 O ATOM 1175 CB LEU A 124 13.181 19.319 13.694 1.00 25.29 C ATOM 1176 CG LEU A 124 12.560 20.675 13.318 1.00 23.70 C ATOM 1177 CD1 LEU A 124 12.525 21.681 14.469 1.00 23.42 C ATOM 1178 CD2 LEU A 124 13.294 21.250 12.112 1.00 23.50 C ATOM 1179 H LEU A 124 13.926 16.996 14.495 1.00 0.00 H ATOM 1180 N LYS A 125 10.694 17.331 14.007 1.00 24.92 N ATOM 1181 CA LYS A 125 9.284 17.009 13.756 1.00 26.01 C ATOM 1182 C LYS A 125 8.569 16.770 15.069 1.00 26.60 C ATOM 1183 O LYS A 125 7.483 17.327 15.330 1.00 24.01 O ATOM 1184 CB LYS A 125 9.164 15.798 12.842 1.00 25.46 C ATOM 1185 CG LYS A 125 7.737 15.436 12.441 1.00 26.61 C ATOM 1186 CD LYS A 125 7.699 14.076 11.755 1.00 27.91 C ATOM 1187 CE LYS A 125 6.270 13.676 11.433 1.00 29.47 C ATOM 1188 NZ LYS A 125 6.260 12.350 10.764 1.00 30.50 N ATOM 1189 HZ1 LYS A 125 6.811 12.403 9.883 1.00 0.00 H ATOM 1190 HZ2 LYS A 125 6.683 11.641 11.396 1.00 0.00 H ATOM 1191 HZ3 LYS A 125 5.280 12.081 10.546 1.00 0.00 H ATOM 1192 H LYS A 125 11.431 16.714 13.609 1.00 0.00 H ATOM 1193 N GLU A 126 9.202 15.986 15.924 1.00 26.15 N ATOM 1194 CA GLU A 126 8.662 15.708 17.249 1.00 26.34 C ATOM 1195 C GLU A 126 8.432 16.978 18.063 1.00 25.46 C ATOM 1196 O GLU A 126 7.366 17.148 18.669 1.00 26.23 O ATOM 1197 CB GLU A 126 9.584 14.725 17.989 1.00 30.78 C ATOM 1198 CG GLU A 126 9.036 14.254 19.337 1.00 34.84 C ATOM 1199 CD GLU A 126 9.993 13.315 20.063 1.00 41.92 C ATOM 1200 OE1 GLU A 126 11.196 13.310 19.721 1.00 49.73 O ATOM 1201 OE2 GLU A 126 9.541 12.580 20.979 1.00 48.29 O ATOM 1202 H GLU A 126 10.107 15.557 15.645 1.00 0.00 H ATOM 1203 N ALA A 127 9.396 17.888 18.058 1.00 25.07 N ATOM 1204 CA ALA A 127 9.279 19.144 18.793 1.00 24.03 C ATOM 1205 C ALA A 127 8.173 20.027 18.249 1.00 24.21 C ATOM 1206 O ALA A 127 7.394 20.625 19.004 1.00 24.68 O ATOM 1207 CB ALA A 127 10.597 19.897 18.772 1.00 25.07 C ATOM 1208 H ALA A 127 10.262 17.701 17.514 1.00 0.00 H ATOM 1209 N VAL A 128 8.097 20.127 16.936 1.00 23.74 N ATOM 1210 CA VAL A 128 7.038 20.926 16.335 1.00 23.31 C ATOM 1211 C VAL A 128 5.664 20.324 16.685 1.00 24.47 C ATOM 1212 O VAL A 128 4.726 21.061 16.977 1.00 25.82 O ATOM 1213 CB VAL A 128 7.243 21.062 14.809 1.00 22.60 C ATOM 1214 CG1 VAL A 128 6.048 21.753 14.156 1.00 23.23 C ATOM 1215 CG2 VAL A 128 8.526 21.829 14.521 1.00 23.77 C ATOM 1216 H VAL A 128 8.789 19.638 16.333 1.00 0.00 H ATOM 1217 N ALA A 129 5.559 19.006 16.685 1.00 24.72 N ATOM 1218 CA ALA A 129 4.268 18.352 16.994 1.00 26.52 C ATOM 1219 C ALA A 129 3.920 18.476 18.482 1.00 28.18 C ATOM 1220 O ALA A 129 2.771 18.772 18.834 1.00 27.91 O ATOM 1221 CB ALA A 129 4.297 16.895 16.587 1.00 27.00 C ATOM 1222 H ALA A 129 6.392 18.423 16.466 1.00 0.00 H ATOM 1223 N ASN A 130 4.905 18.264 19.350 1.00 27.93 N ATOM 1224 CA ASN A 130 4.640 18.136 20.808 1.00 28.31 C ATOM 1225 C ASN A 130 4.859 19.366 21.642 1.00 30.22 C ATOM 1226 O ASN A 130 4.275 19.479 22.715 1.00 30.94 O ATOM 1227 CB ASN A 130 5.442 16.974 21.387 1.00 31.09 C ATOM 1228 CG ASN A 130 4.973 15.622 20.850 1.00 33.33 C ATOM 1229 OD1 ASN A 130 3.841 15.496 20.396 1.00 35.69 O ATOM 1230 ND2 ASN A 130 5.846 14.623 20.877 1.00 36.43 N ATOM 1231 HD22 ASN A 130 6.796 14.774 21.271 1.00 0.00 H ATOM 1232 HD21 ASN A 130 5.580 13.690 20.504 1.00 0.00 H ATOM 1233 H ASN A 130 5.882 18.186 19.002 1.00 0.00 H ATOM 1234 N LYS A 131 5.716 20.279 21.186 1.00 27.39 N ATOM 1235 CA LYS A 131 6.076 21.450 21.967 1.00 27.78 C ATOM 1236 C LYS A 131 5.486 22.749 21.416 1.00 27.00 C ATOM 1237 O LYS A 131 4.985 23.584 22.167 1.00 28.40 O ATOM 1238 CB LYS A 131 7.606 21.566 22.059 1.00 29.65 C ATOM 1239 CG LYS A 131 8.310 20.361 22.689 1.00 31.58 C ATOM 1240 CD LYS A 131 7.892 20.095 24.126 1.00 34.21 C ATOM 1241 CE LYS A 131 8.439 18.735 24.558 1.00 38.92 C ATOM 1242 NZ LYS A 131 8.334 18.549 26.035 1.00 42.33 N ATOM 1243 HZ1 LYS A 131 8.879 19.292 26.516 1.00 0.00 H ATOM 1244 HZ2 LYS A 131 7.336 18.609 26.321 1.00 0.00 H ATOM 1245 HZ3 LYS A 131 8.714 17.616 26.294 1.00 0.00 H ATOM 1246 H LYS A 131 6.139 20.150 20.245 1.00 0.00 H ATOM 1247 N GLY A 132 5.582 22.941 20.105 1.00 26.29 N ATOM 1248 CA GLY A 132 5.151 24.177 19.474 1.00 26.69 C ATOM 1249 C GLY A 132 6.111 24.602 18.383 1.00 25.51 C ATOM 1250 O GLY A 132 7.053 23.876 18.065 1.00 26.81 O ATOM 1251 H GLY A 132 5.978 22.184 19.512 1.00 0.00 H ATOM 1252 N PRO A 133 5.897 25.789 17.815 1.00 25.01 N ATOM 1253 CA PRO A 133 6.832 26.317 16.818 1.00 24.69 C ATOM 1254 C PRO A 133 8.266 26.394 17.340 1.00 24.86 C ATOM 1255 O PRO A 133 8.483 26.676 18.537 1.00 24.56 O ATOM 1256 CB PRO A 133 6.304 27.731 16.564 1.00 23.95 C ATOM 1257 CG PRO A 133 4.811 27.590 16.813 1.00 26.18 C ATOM 1258 CD PRO A 133 4.767 26.715 18.028 1.00 24.31 C ATOM 1259 N VAL A 134 9.215 26.160 16.442 1.00 23.33 N ATOM 1260 CA VAL A 134 10.628 26.075 16.797 1.00 22.80 C ATOM 1261 C VAL A 134 11.424 27.075 15.995 1.00 22.69 C ATOM 1262 O VAL A 134 11.279 27.152 14.763 1.00 23.37 O ATOM 1263 CB VAL A 134 11.145 24.651 16.553 1.00 23.96 C ATOM 1264 CG1 VAL A 134 12.647 24.536 16.826 1.00 23.86 C ATOM 1265 CG2 VAL A 134 10.370 23.692 17.410 1.00 24.04 C ATOM 1266 H VAL A 134 8.941 26.032 15.447 1.00 0.00 H ATOM 1267 N SER A 135 12.264 27.840 16.694 1.00 21.68 N ATOM 1268 CA SER A 135 13.172 28.789 16.067 1.00 22.05 C ATOM 1269 C SER A 135 14.261 28.028 15.354 1.00 22.45 C ATOM 1270 O SER A 135 14.845 27.144 15.942 1.00 21.41 O ATOM 1271 CB SER A 135 13.803 29.695 17.125 1.00 22.84 C ATOM 1272 OG SER A 135 12.833 30.550 17.677 1.00 24.42 O ATOM 1273 HG SER A 135 12.444 31.111 16.961 1.00 0.00 H ATOM 1274 H SER A 135 12.270 27.755 17.730 1.00 0.00 H ATOM 1275 N VAL A 136 14.541 28.377 14.104 1.00 22.43 N ATOM 1276 CA VAL A 136 15.618 27.736 13.365 1.00 23.58 C ATOM 1277 C VAL A 136 16.389 28.771 12.558 1.00 22.89 C ATOM 1278 O VAL A 136 15.889 29.873 12.284 1.00 23.03 O ATOM 1279 CB VAL A 136 15.096 26.649 12.386 1.00 23.99 C ATOM 1280 CG1 VAL A 136 14.426 25.516 13.123 1.00 23.52 C ATOM 1281 CG2 VAL A 136 14.161 27.257 11.331 1.00 26.20 C ATOM 1282 H VAL A 136 13.980 29.122 13.644 1.00 0.00 H ATOM 1283 N GLY A 137 17.596 28.415 12.153 1.00 22.61 N ATOM 1284 CA GLY A 137 18.323 29.157 11.125 1.00 22.63 C ATOM 1285 C GLY A 137 18.222 28.445 9.781 1.00 23.87 C ATOM 1286 O GLY A 137 18.176 27.221 9.722 1.00 25.97 O ATOM 1287 H GLY A 137 18.043 27.579 12.580 1.00 0.00 H ATOM 1288 N VAL A 138 18.209 29.203 8.694 1.00 22.55 N ATOM 1289 CA VAL A 138 18.309 28.627 7.360 1.00 23.69 C ATOM 1290 C VAL A 138 19.308 29.377 6.519 1.00 23.86 C ATOM 1291 O VAL A 138 19.642 30.545 6.799 1.00 25.21 O ATOM 1292 CB VAL A 138 16.952 28.609 6.607 1.00 24.74 C ATOM 1293 CG1 VAL A 138 15.959 27.694 7.321 1.00 24.14 C ATOM 1294 CG2 VAL A 138 16.406 30.026 6.449 1.00 25.21 C ATOM 1295 H VAL A 138 18.125 30.235 8.796 1.00 0.00 H ATOM 1296 N ASP A 139 19.804 28.697 5.498 1.00 23.65 N ATOM 1297 CA ASP A 139 20.562 29.326 4.423 1.00 24.53 C ATOM 1298 C ASP A 139 19.572 30.011 3.455 1.00 24.31 C ATOM 1299 O ASP A 139 18.951 29.350 2.616 1.00 25.54 O ATOM 1300 CB ASP A 139 21.408 28.276 3.687 1.00 24.62 C ATOM 1301 CG ASP A 139 22.272 28.871 2.559 1.00 25.85 C ATOM 1302 OD1 ASP A 139 22.295 30.104 2.375 1.00 25.37 O ATOM 1303 OD2 ASP A 139 22.964 28.081 1.876 1.00 26.10 O ATOM 1304 H ASP A 139 19.646 27.670 5.461 1.00 0.00 H ATOM 1305 N ALA A 140 19.432 31.320 3.605 1.00 24.70 N ATOM 1306 CA ALA A 140 18.545 32.143 2.764 1.00 26.69 C ATOM 1307 C ALA A 140 19.309 33.046 1.793 1.00 27.26 C ATOM 1308 O ALA A 140 18.767 34.036 1.306 1.00 29.13 O ATOM 1309 CB ALA A 140 17.645 32.974 3.644 1.00 28.22 C ATOM 1310 H ALA A 140 19.977 31.791 4.355 1.00 0.00 H ATOM 1311 N ARG A 141 20.546 32.688 1.473 1.00 25.86 N ATOM 1312 CA ARG A 141 21.399 33.575 0.668 1.00 29.92 C ATOM 1313 C ARG A 141 21.167 33.434 -0.848 1.00 27.71 C ATOM 1314 O ARG A 141 21.647 34.263 -1.637 1.00 30.37 O ATOM 1315 CB ARG A 141 22.890 33.305 0.907 1.00 33.85 C ATOM 1316 CG ARG A 141 23.396 33.081 2.342 1.00 39.81 C ATOM 1317 CD ARG A 141 24.697 32.251 2.321 1.00 44.94 C ATOM 1318 NE ARG A 141 25.018 31.593 3.604 1.00 52.01 N ATOM 1319 CZ ARG A 141 25.703 32.146 4.607 1.00 55.90 C ATOM 1320 NH1 ARG A 141 26.161 33.394 4.518 1.00 62.71 N ATOM 1321 NH2 ARG A 141 25.931 31.451 5.718 1.00 58.40 N ATOM 1322 HE ARG A 141 24.682 30.618 3.737 1.00 0.00 H ATOM 1323 HH12 ARG A 141 26.693 33.810 5.309 1.00 0.00 H ATOM 1324 HH11 ARG A 141 25.986 33.952 3.658 1.00 0.00 H ATOM 1325 HH22 ARG A 141 26.465 31.881 6.500 1.00 0.00 H ATOM 1326 HH21 ARG A 141 25.576 30.477 5.805 1.00 0.00 H ATOM 1327 H ARG A 141 20.916 31.771 1.795 1.00 0.00 H ATOM 1328 N HIS A 142 20.440 32.409 -1.270 1.00 25.41 N ATOM 1329 CA HIS A 142 20.387 32.080 -2.698 1.00 24.86 C ATOM 1330 C HIS A 142 19.277 32.850 -3.374 1.00 23.28 C ATOM 1331 O HIS A 142 18.218 33.026 -2.807 1.00 23.85 O ATOM 1332 CB HIS A 142 20.261 30.579 -2.879 1.00 26.26 C ATOM 1333 CG HIS A 142 21.337 29.848 -2.146 1.00 26.97 C ATOM 1334 ND1 HIS A 142 22.610 29.725 -2.641 1.00 30.75 N ATOM 1335 CD2 HIS A 142 21.380 29.361 -0.882 1.00 29.18 C ATOM 1336 CE1 HIS A 142 23.381 29.134 -1.744 1.00 30.49 C ATOM 1337 NE2 HIS A 142 22.654 28.899 -0.668 1.00 28.79 N ATOM 1338 H HIS A 142 19.905 31.836 -0.586 1.00 0.00 H ATOM 1339 N PRO A 143 19.537 33.364 -4.587 1.00 24.50 N ATOM 1340 CA PRO A 143 18.542 34.202 -5.273 1.00 24.20 C ATOM 1341 C PRO A 143 17.128 33.588 -5.340 1.00 25.09 C ATOM 1342 O PRO A 143 16.116 34.300 -5.205 1.00 24.00 O ATOM 1343 CB PRO A 143 19.150 34.361 -6.664 1.00 24.98 C ATOM 1344 CG PRO A 143 20.621 34.344 -6.425 1.00 25.71 C ATOM 1345 CD PRO A 143 20.833 33.361 -5.288 1.00 25.38 C ATOM 1346 N SER A 144 17.060 32.262 -5.477 1.00 24.44 N ATOM 1347 CA SER A 144 15.770 31.552 -5.499 1.00 24.12 C ATOM 1348 C SER A 144 14.936 31.735 -4.233 1.00 23.73 C ATOM 1349 O SER A 144 13.715 31.712 -4.282 1.00 25.68 O ATOM 1350 CB SER A 144 16.018 30.060 -5.715 1.00 26.47 C ATOM 1351 OG SER A 144 16.767 29.525 -4.645 1.00 24.35 O ATOM 1352 HG SER A 144 16.919 28.559 -4.800 1.00 0.00 H ATOM 1353 H SER A 144 17.940 31.716 -5.571 1.00 0.00 H ATOM 1354 N PHE A 145 15.581 31.928 -3.091 1.00 22.78 N ATOM 1355 CA PHE A 145 14.846 32.116 -1.841 1.00 23.21 C ATOM 1356 C PHE A 145 13.983 33.379 -1.881 1.00 24.04 C ATOM 1357 O PHE A 145 12.787 33.358 -1.570 1.00 23.71 O ATOM 1358 CB PHE A 145 15.821 32.172 -0.660 1.00 23.68 C ATOM 1359 CG PHE A 145 15.143 32.111 0.676 1.00 23.48 C ATOM 1360 CD1 PHE A 145 14.933 30.888 1.308 1.00 23.98 C ATOM 1361 CD2 PHE A 145 14.690 33.261 1.298 1.00 25.27 C ATOM 1362 CE1 PHE A 145 14.332 30.839 2.546 1.00 23.79 C ATOM 1363 CE2 PHE A 145 14.071 33.206 2.536 1.00 24.34 C ATOM 1364 CZ PHE A 145 13.889 31.981 3.151 1.00 23.73 C ATOM 1365 H PHE A 145 16.621 31.946 -3.084 1.00 0.00 H ATOM 1366 N PHE A 146 14.588 34.475 -2.309 1.00 22.05 N ATOM 1367 CA PHE A 146 13.892 35.755 -2.396 1.00 24.77 C ATOM 1368 C PHE A 146 12.691 35.728 -3.341 1.00 25.38 C ATOM 1369 O PHE A 146 11.688 36.430 -3.124 1.00 26.52 O ATOM 1370 CB PHE A 146 14.877 36.823 -2.886 1.00 24.86 C ATOM 1371 CG PHE A 146 16.128 36.921 -2.072 1.00 25.61 C ATOM 1372 CD1 PHE A 146 16.129 37.594 -0.877 1.00 26.36 C ATOM 1373 CD2 PHE A 146 17.320 36.354 -2.522 1.00 24.65 C ATOM 1374 CE1 PHE A 146 17.291 37.721 -0.136 1.00 27.61 C ATOM 1375 CE2 PHE A 146 18.479 36.476 -1.780 1.00 24.73 C ATOM 1376 CZ PHE A 146 18.460 37.139 -0.580 1.00 25.54 C ATOM 1377 H PHE A 146 15.588 34.423 -2.591 1.00 0.00 H ATOM 1378 N LEU A 147 12.790 34.910 -4.376 1.00 24.57 N ATOM 1379 CA LEU A 147 11.782 34.820 -5.434 1.00 24.30 C ATOM 1380 C LEU A 147 10.748 33.721 -5.220 1.00 25.61 C ATOM 1381 O LEU A 147 9.875 33.527 -6.057 1.00 24.70 O ATOM 1382 CB LEU A 147 12.489 34.589 -6.770 1.00 25.51 C ATOM 1383 CG LEU A 147 13.318 35.768 -7.279 1.00 26.64 C ATOM 1384 CD1 LEU A 147 14.197 35.322 -8.461 1.00 28.82 C ATOM 1385 CD2 LEU A 147 12.396 36.911 -7.697 1.00 28.46 C ATOM 1386 H LEU A 147 13.629 34.298 -4.442 1.00 0.00 H ATOM 1387 N TYR A 148 10.817 33.031 -4.087 1.00 23.72 N ATOM 1388 CA TYR A 148 9.892 31.946 -3.828 1.00 24.32 C ATOM 1389 C TYR A 148 8.434 32.435 -3.807 1.00 25.00 C ATOM 1390 O TYR A 148 8.126 33.455 -3.190 1.00 25.49 O ATOM 1391 CB TYR A 148 10.231 31.308 -2.497 1.00 24.70 C ATOM 1392 CG TYR A 148 9.140 30.359 -2.003 1.00 22.75 C ATOM 1393 CD1 TYR A 148 9.133 29.029 -2.396 1.00 23.40 C ATOM 1394 CD2 TYR A 148 8.128 30.809 -1.162 1.00 24.32 C ATOM 1395 CE1 TYR A 148 8.134 28.163 -1.953 1.00 24.03 C ATOM 1396 CE2 TYR A 148 7.115 29.963 -0.735 1.00 23.35 C ATOM 1397 CZ TYR A 148 7.122 28.643 -1.117 1.00 22.97 C ATOM 1398 OH TYR A 148 6.137 27.782 -0.649 1.00 23.03 O ATOM 1399 HH TYR A 148 6.290 26.876 -1.018 1.00 0.00 H ATOM 1400 H TYR A 148 11.541 33.271 -3.380 1.00 0.00 H ATOM 1401 N ARG A 149 7.552 31.695 -4.465 1.00 26.54 N ATOM 1402 CA ARG A 149 6.128 32.029 -4.515 1.00 28.52 C ATOM 1403 C ARG A 149 5.215 30.898 -4.065 1.00 27.42 C ATOM 1404 O ARG A 149 4.237 31.161 -3.417 1.00 30.62 O ATOM 1405 CB ARG A 149 5.731 32.405 -5.944 1.00 31.25 C ATOM 1406 CG ARG A 149 6.470 33.597 -6.493 1.00 37.48 C ATOM 1407 CD ARG A 149 5.999 34.893 -5.867 1.00 41.85 C ATOM 1408 NE ARG A 149 4.693 35.296 -6.385 1.00 49.39 N ATOM 1409 CZ ARG A 149 4.465 35.779 -7.610 1.00 54.13 C ATOM 1410 NH1 ARG A 149 5.453 35.922 -8.487 1.00 59.03 N ATOM 1411 NH2 ARG A 149 3.234 36.120 -7.967 1.00 55.32 N ATOM 1412 HE ARG A 149 3.876 35.199 -5.749 1.00 0.00 H ATOM 1413 HH12 ARG A 149 5.256 36.300 -9.436 1.00 0.00 H ATOM 1414 HH11 ARG A 149 6.424 35.656 -8.225 1.00 0.00 H ATOM 1415 HH22 ARG A 149 3.054 36.496 -8.920 1.00 0.00 H ATOM 1416 HH21 ARG A 149 2.448 36.011 -7.294 1.00 0.00 H ATOM 1417 H ARG A 149 7.885 30.845 -4.964 1.00 0.00 H ATOM 1418 N SER A 150 5.504 29.658 -4.433 1.00 27.73 N ATOM 1419 CA SER A 150 4.597 28.562 -4.129 1.00 29.60 C ATOM 1420 C SER A 150 5.294 27.222 -4.193 1.00 28.32 C ATOM 1421 O SER A 150 6.437 27.125 -4.609 1.00 28.34 O ATOM 1422 CB SER A 150 3.413 28.581 -5.111 1.00 30.63 C ATOM 1423 OG SER A 150 3.875 28.385 -6.422 1.00 30.28 O ATOM 1424 HG SER A 150 4.335 27.510 -6.481 1.00 0.00 H ATOM 1425 H SER A 150 6.389 29.466 -4.945 1.00 0.00 H ATOM 1426 N GLY A 151 4.575 26.180 -3.803 1.00 28.01 N ATOM 1427 CA GLY A 151 5.126 24.841 -3.857 1.00 27.66 C ATOM 1428 C GLY A 151 6.031 24.598 -2.662 1.00 26.40 C ATOM 1429 O GLY A 151 5.875 25.226 -1.597 1.00 28.22 O ATOM 1430 H GLY A 151 3.606 26.324 -3.455 1.00 0.00 H ATOM 1431 N VAL A 152 6.943 23.658 -2.823 1.00 25.22 N ATOM 1432 CA VAL A 152 7.925 23.300 -1.782 1.00 24.96 C ATOM 1433 C VAL A 152 9.301 23.689 -2.280 1.00 25.85 C ATOM 1434 O VAL A 152 9.706 23.259 -3.351 1.00 25.28 O ATOM 1435 CB VAL A 152 7.878 21.803 -1.456 1.00 25.99 C ATOM 1436 CG1 VAL A 152 8.945 21.418 -0.435 1.00 26.21 C ATOM 1437 CG2 VAL A 152 6.494 21.433 -0.918 1.00 26.44 C ATOM 1438 H VAL A 152 6.971 23.145 -3.727 1.00 0.00 H ATOM 1439 N TYR A 153 9.986 24.528 -1.505 1.00 26.04 N ATOM 1440 CA TYR A 153 11.263 25.121 -1.887 1.00 24.28 C ATOM 1441 C TYR A 153 12.358 24.082 -1.768 1.00 25.69 C ATOM 1442 O TYR A 153 12.586 23.523 -0.714 1.00 23.97 O ATOM 1443 CB TYR A 153 11.562 26.351 -1.019 1.00 24.84 C ATOM 1444 CG TYR A 153 12.880 27.033 -1.303 1.00 24.55 C ATOM 1445 CD1 TYR A 153 13.045 27.851 -2.410 1.00 24.19 C ATOM 1446 CD2 TYR A 153 13.961 26.870 -0.443 1.00 26.25 C ATOM 1447 CE1 TYR A 153 14.263 28.499 -2.668 1.00 24.63 C ATOM 1448 CE2 TYR A 153 15.165 27.515 -0.689 1.00 24.91 C ATOM 1449 CZ TYR A 153 15.319 28.315 -1.809 1.00 24.37 C ATOM 1450 OH TYR A 153 16.526 28.954 -2.065 1.00 22.81 O ATOM 1451 HH TYR A 153 16.450 29.477 -2.902 1.00 0.00 H ATOM 1452 H TYR A 153 9.589 24.774 -0.576 1.00 0.00 H ATOM 1453 N TYR A 154 12.998 23.816 -2.901 1.00 25.46 N ATOM 1454 CA TYR A 154 14.175 22.956 -2.964 1.00 27.15 C ATOM 1455 C TYR A 154 15.183 23.635 -3.889 1.00 27.90 C ATOM 1456 O TYR A 154 14.886 23.943 -5.028 1.00 27.66 O ATOM 1457 CB TYR A 154 13.830 21.558 -3.485 1.00 27.73 C ATOM 1458 CG TYR A 154 15.055 20.677 -3.472 1.00 28.12 C ATOM 1459 CD1 TYR A 154 15.462 20.066 -2.306 1.00 29.13 C ATOM 1460 CD2 TYR A 154 15.861 20.540 -4.604 1.00 30.26 C ATOM 1461 CE1 TYR A 154 16.612 19.295 -2.268 1.00 29.98 C ATOM 1462 CE2 TYR A 154 17.014 19.777 -4.573 1.00 31.15 C ATOM 1463 CZ TYR A 154 17.380 19.162 -3.402 1.00 32.82 C ATOM 1464 OH TYR A 154 18.526 18.403 -3.352 1.00 36.20 O ATOM 1465 HH TYR A 154 18.638 18.036 -2.439 1.00 0.00 H ATOM 1466 H TYR A 154 12.644 24.240 -3.783 1.00 0.00 H ATOM 1467 N GLU A 155 16.355 23.912 -3.354 1.00 26.83 N ATOM 1468 CA GLU A 155 17.432 24.619 -4.019 1.00 25.82 C ATOM 1469 C GLU A 155 18.714 23.775 -3.929 1.00 26.12 C ATOM 1470 O GLU A 155 19.311 23.698 -2.850 1.00 26.40 O ATOM 1471 CB GLU A 155 17.627 25.976 -3.332 1.00 26.55 C ATOM 1472 CG GLU A 155 18.857 26.774 -3.803 1.00 27.19 C ATOM 1473 CD GLU A 155 18.940 26.905 -5.312 1.00 29.41 C ATOM 1474 OE1 GLU A 155 18.267 27.806 -5.859 1.00 31.65 O ATOM 1475 OE2 GLU A 155 19.672 26.100 -5.946 1.00 28.28 O ATOM 1476 H GLU A 155 16.521 23.598 -2.376 1.00 0.00 H ATOM 1477 N PRO A 156 19.141 23.142 -5.048 1.00 26.89 N ATOM 1478 CA PRO A 156 20.362 22.323 -5.054 1.00 28.54 C ATOM 1479 C PRO A 156 21.604 23.048 -4.544 1.00 29.10 C ATOM 1480 O PRO A 156 22.495 22.408 -4.003 1.00 29.27 O ATOM 1481 CB PRO A 156 20.558 21.950 -6.538 1.00 29.58 C ATOM 1482 CG PRO A 156 19.252 22.200 -7.199 1.00 29.86 C ATOM 1483 CD PRO A 156 18.446 23.131 -6.348 1.00 27.50 C ATOM 1484 N SER A 157 21.676 24.368 -4.708 1.00 27.62 N ATOM 1485 CA SER A 157 22.843 25.128 -4.231 1.00 29.14 C ATOM 1486 C SER A 157 22.771 25.477 -2.744 1.00 27.62 C ATOM 1487 O SER A 157 23.687 26.104 -2.202 1.00 26.75 O ATOM 1488 CB SER A 157 23.011 26.417 -5.026 1.00 30.49 C ATOM 1489 OG SER A 157 21.973 27.349 -4.691 1.00 32.23 O ATOM 1490 HG SER A 157 21.092 26.950 -4.904 1.00 0.00 H ATOM 1491 H SER A 157 20.896 24.869 -5.180 1.00 0.00 H ATOM 1492 N CYS A 158 21.694 25.105 -2.066 1.00 27.14 N ATOM 1493 CA CYS A 158 21.596 25.441 -0.632 1.00 28.00 C ATOM 1494 C CYS A 158 22.673 24.711 0.155 1.00 27.42 C ATOM 1495 O CYS A 158 23.142 23.646 -0.263 1.00 26.80 O ATOM 1496 CB CYS A 158 20.231 25.085 -0.057 1.00 29.09 C ATOM 1497 SG CYS A 158 19.454 26.476 0.774 1.00 31.83 S ATOM 1498 H CYS A 158 20.928 24.583 -2.538 1.00 0.00 H ATOM 1499 N THR A 159 23.039 25.276 1.305 1.00 27.27 N ATOM 1500 CA THR A 159 24.044 24.696 2.175 1.00 27.59 C ATOM 1501 C THR A 159 23.490 24.596 3.572 1.00 27.67 C ATOM 1502 O THR A 159 22.400 25.104 3.872 1.00 25.61 O ATOM 1503 CB THR A 159 25.332 25.562 2.221 1.00 27.99 C ATOM 1504 OG1 THR A 159 25.081 26.776 2.949 1.00 27.59 O ATOM 1505 CG2 THR A 159 25.818 25.899 0.811 1.00 29.80 C ATOM 1506 HG1 THR A 159 24.361 27.286 2.500 1.00 0.00 H ATOM 1507 H THR A 159 22.586 26.168 1.590 1.00 0.00 H ATOM 1508 N GLN A 160 24.270 23.985 4.454 1.00 25.01 N ATOM 1509 CA GLN A 160 23.934 23.979 5.868 1.00 25.85 C ATOM 1510 C GLN A 160 24.542 25.152 6.640 1.00 28.44 C ATOM 1511 O GLN A 160 24.418 25.214 7.845 1.00 31.70 O ATOM 1512 CB GLN A 160 24.324 22.641 6.523 1.00 26.25 C ATOM 1513 CG GLN A 160 23.481 21.435 6.130 1.00 26.65 C ATOM 1514 CD GLN A 160 23.729 20.936 4.701 1.00 28.85 C ATOM 1515 OE1 GLN A 160 24.869 20.873 4.223 1.00 29.03 O ATOM 1516 NE2 GLN A 160 22.669 20.527 4.038 1.00 30.94 N ATOM 1517 HE22 GLN A 160 21.726 20.595 4.472 1.00 0.00 H ATOM 1518 HE21 GLN A 160 22.774 20.135 3.080 1.00 0.00 H ATOM 1519 H GLN A 160 25.133 23.504 4.129 1.00 0.00 H ATOM 1520 N ASN A 161 25.153 26.104 5.946 1.00 30.33 N ATOM 1521 CA ASN A 161 25.638 27.322 6.572 1.00 31.57 C ATOM 1522 C ASN A 161 24.501 28.330 6.703 1.00 31.59 C ATOM 1523 O ASN A 161 24.151 29.016 5.739 1.00 34.58 O ATOM 1524 CB ASN A 161 26.782 27.899 5.765 1.00 33.41 C ATOM 1525 CG ASN A 161 27.902 26.892 5.589 1.00 35.94 C ATOM 1526 OD1 ASN A 161 28.524 26.448 6.575 1.00 37.99 O ATOM 1527 ND2 ASN A 161 28.136 26.490 4.363 1.00 36.63 N ATOM 1528 HD22 ASN A 161 27.592 26.889 3.572 1.00 0.00 H ATOM 1529 HD21 ASN A 161 28.866 25.772 4.182 1.00 0.00 H ATOM 1530 H ASN A 161 25.289 25.974 4.923 1.00 0.00 H ATOM 1531 N VAL A 162 23.925 28.407 7.891 1.00 28.29 N ATOM 1532 CA VAL A 162 22.704 29.191 8.067 1.00 29.13 C ATOM 1533 C VAL A 162 23.039 30.651 8.304 1.00 27.78 C ATOM 1534 O VAL A 162 24.071 30.988 8.894 1.00 28.26 O ATOM 1535 CB VAL A 162 21.791 28.619 9.180 1.00 29.62 C ATOM 1536 CG1 VAL A 162 21.488 27.154 8.907 1.00 31.89 C ATOM 1537 CG2 VAL A 162 22.381 28.801 10.573 1.00 30.84 C ATOM 1538 H VAL A 162 24.342 27.908 8.703 1.00 0.00 H ATOM 1539 N ASN A 163 22.159 31.526 7.846 1.00 26.77 N ATOM 1540 CA ASN A 163 22.379 32.959 7.959 1.00 28.09 C ATOM 1541 C ASN A 163 21.136 33.743 8.279 1.00 26.38 C ATOM 1542 O ASN A 163 21.191 34.959 8.357 1.00 27.61 O ATOM 1543 CB ASN A 163 22.965 33.504 6.653 1.00 30.80 C ATOM 1544 CG ASN A 163 21.912 33.693 5.526 1.00 33.77 C ATOM 1545 OD1 ASN A 163 21.047 32.886 5.336 1.00 29.16 O ATOM 1546 ND2 ASN A 163 22.028 34.798 4.762 1.00 39.26 N ATOM 1547 HD22 ASN A 163 22.789 35.482 4.949 1.00 0.00 H ATOM 1548 HD21 ASN A 163 21.357 34.966 3.986 1.00 0.00 H ATOM 1549 H ASN A 163 21.288 31.181 7.394 1.00 0.00 H ATOM 1550 N HIS A 164 20.003 33.074 8.434 1.00 24.66 N ATOM 1551 CA HIS A 164 18.730 33.771 8.528 1.00 25.47 C ATOM 1552 C HIS A 164 17.832 33.054 9.542 1.00 24.80 C ATOM 1553 O HIS A 164 17.563 31.865 9.388 1.00 26.71 O ATOM 1554 CB HIS A 164 18.086 33.808 7.138 1.00 26.80 C ATOM 1555 CG HIS A 164 16.841 34.631 7.068 1.00 27.65 C ATOM 1556 ND1 HIS A 164 16.819 35.979 7.341 1.00 31.58 N ATOM 1557 CD2 HIS A 164 15.573 34.291 6.743 1.00 29.95 C ATOM 1558 CE1 HIS A 164 15.586 36.436 7.198 1.00 31.68 C ATOM 1559 NE2 HIS A 164 14.815 35.433 6.821 1.00 28.38 N ATOM 1560 H HIS A 164 20.024 32.036 8.489 1.00 0.00 H ATOM 1561 N GLY A 165 17.391 33.773 10.563 1.00 24.56 N ATOM 1562 CA GLY A 165 16.531 33.218 11.612 1.00 23.82 C ATOM 1563 C GLY A 165 15.076 33.250 11.178 1.00 24.21 C ATOM 1564 O GLY A 165 14.576 34.283 10.763 1.00 25.35 O ATOM 1565 H GLY A 165 17.667 34.774 10.623 1.00 0.00 H ATOM 1566 N VAL A 166 14.399 32.115 11.285 1.00 24.13 N ATOM 1567 CA VAL A 166 12.997 31.985 10.926 1.00 24.28 C ATOM 1568 C VAL A 166 12.297 31.081 11.944 1.00 23.59 C ATOM 1569 O VAL A 166 12.906 30.649 12.929 1.00 24.50 O ATOM 1570 CB VAL A 166 12.831 31.447 9.488 1.00 24.20 C ATOM 1571 CG1 VAL A 166 13.344 32.463 8.490 1.00 25.30 C ATOM 1572 CG2 VAL A 166 13.536 30.107 9.302 1.00 24.66 C ATOM 1573 H VAL A 166 14.897 31.275 11.644 1.00 0.00 H ATOM 1574 N LEU A 167 10.999 30.834 11.740 1.00 22.55 N ATOM 1575 CA LEU A 167 10.209 30.069 12.688 1.00 23.38 C ATOM 1576 C LEU A 167 9.472 28.932 11.983 1.00 23.69 C ATOM 1577 O LEU A 167 8.688 29.182 11.085 1.00 22.66 O ATOM 1578 CB LEU A 167 9.202 30.983 13.390 1.00 24.15 C ATOM 1579 CG LEU A 167 8.372 30.371 14.521 1.00 24.81 C ATOM 1580 CD1 LEU A 167 9.265 30.102 15.727 1.00 25.35 C ATOM 1581 CD2 LEU A 167 7.234 31.299 14.897 1.00 25.35 C ATOM 1582 H LEU A 167 10.543 31.199 10.880 1.00 0.00 H ATOM 1583 N VAL A 168 9.723 27.700 12.412 1.00 22.39 N ATOM 1584 CA VAL A 168 8.969 26.554 11.915 1.00 23.37 C ATOM 1585 C VAL A 168 7.674 26.454 12.678 1.00 23.58 C ATOM 1586 O VAL A 168 7.674 26.217 13.887 1.00 23.85 O ATOM 1587 CB VAL A 168 9.762 25.243 12.050 1.00 23.14 C ATOM 1588 CG1 VAL A 168 8.965 24.069 11.546 1.00 23.71 C ATOM 1589 CG2 VAL A 168 11.075 25.350 11.311 1.00 25.23 C ATOM 1590 H VAL A 168 10.473 27.549 13.117 1.00 0.00 H ATOM 1591 N VAL A 169 6.552 26.628 11.967 1.00 22.85 N ATOM 1592 CA VAL A 169 5.228 26.602 12.585 1.00 22.76 C ATOM 1593 C VAL A 169 4.409 25.381 12.190 1.00 24.50 C ATOM 1594 O VAL A 169 3.237 25.246 12.563 1.00 23.81 O ATOM 1595 CB VAL A 169 4.425 27.906 12.274 1.00 22.81 C ATOM 1596 CG1 VAL A 169 5.173 29.118 12.794 1.00 24.46 C ATOM 1597 CG2 VAL A 169 4.117 28.060 10.797 1.00 23.56 C ATOM 1598 H VAL A 169 6.626 26.787 10.942 1.00 0.00 H ATOM 1599 N GLY A 170 5.026 24.470 11.459 1.00 24.12 N ATOM 1600 CA GLY A 170 4.320 23.305 11.006 1.00 25.84 C ATOM 1601 C GLY A 170 5.121 22.470 10.046 1.00 23.81 C ATOM 1602 O GLY A 170 6.281 22.741 9.794 1.00 23.97 O ATOM 1603 H GLY A 170 6.028 24.597 11.211 1.00 0.00 H ATOM 1604 N TYR A 171 4.491 21.403 9.563 1.00 23.70 N ATOM 1605 CA TYR A 171 5.078 20.545 8.558 1.00 23.91 C ATOM 1606 C TYR A 171 3.952 19.791 7.879 1.00 24.76 C ATOM 1607 O TYR A 171 2.826 19.764 8.378 1.00 26.07 O ATOM 1608 CB TYR A 171 6.105 19.574 9.170 1.00 24.35 C ATOM 1609 CG TYR A 171 5.573 18.618 10.213 1.00 23.63 C ATOM 1610 CD1 TYR A 171 5.773 18.859 11.580 1.00 23.47 C ATOM 1611 CD2 TYR A 171 4.853 17.477 9.856 1.00 23.91 C ATOM 1612 CE1 TYR A 171 5.258 18.002 12.543 1.00 23.71 C ATOM 1613 CE2 TYR A 171 4.351 16.596 10.829 1.00 23.82 C ATOM 1614 CZ TYR A 171 4.587 16.863 12.169 1.00 23.48 C ATOM 1615 OH TYR A 171 4.079 16.041 13.144 1.00 25.00 O ATOM 1616 HH TYR A 171 3.091 16.024 13.078 1.00 0.00 H ATOM 1617 H TYR A 171 3.541 21.177 9.921 1.00 0.00 H ATOM 1618 N GLY A 172 4.264 19.203 6.741 1.00 24.27 N ATOM 1619 CA GLY A 172 3.307 18.363 6.022 1.00 25.48 C ATOM 1620 C GLY A 172 3.869 17.790 4.747 1.00 27.05 C ATOM 1621 O GLY A 172 5.086 17.600 4.597 1.00 25.23 O ATOM 1622 H GLY A 172 5.216 19.340 6.344 1.00 0.00 H ATOM 1623 N ASP A 173 2.960 17.516 3.820 1.00 26.45 N ATOM 1624 CA ASP A 173 3.285 16.909 2.544 1.00 28.06 C ATOM 1625 C ASP A 173 2.365 17.561 1.495 1.00 26.26 C ATOM 1626 O ASP A 173 1.157 17.605 1.683 1.00 24.30 O ATOM 1627 CB ASP A 173 3.032 15.399 2.639 1.00 31.30 C ATOM 1628 CG ASP A 173 3.700 14.614 1.511 1.00 37.41 C ATOM 1629 OD1 ASP A 173 4.151 13.482 1.774 1.00 45.65 O ATOM 1630 OD2 ASP A 173 3.780 15.105 0.369 1.00 38.85 O ATOM 1631 H ASP A 173 1.966 17.748 4.018 1.00 0.00 H ATOM 1632 N LEU A 174 2.951 18.116 0.445 1.00 25.59 N ATOM 1633 CA LEU A 174 2.201 18.792 -0.619 1.00 26.23 C ATOM 1634 C LEU A 174 2.596 18.101 -1.915 1.00 26.80 C ATOM 1635 O LEU A 174 3.747 18.186 -2.342 1.00 24.42 O ATOM 1636 CB LEU A 174 2.549 20.277 -0.685 1.00 26.16 C ATOM 1637 CG LEU A 174 2.001 21.075 -1.879 1.00 26.89 C ATOM 1638 CD1 LEU A 174 0.484 21.022 -1.924 1.00 26.09 C ATOM 1639 CD2 LEU A 174 2.491 22.514 -1.860 1.00 27.53 C ATOM 1640 H LEU A 174 3.987 18.071 0.372 1.00 0.00 H ATOM 1641 N ASN A 175 1.651 17.376 -2.507 1.00 26.01 N ATOM 1642 CA ASN A 175 1.878 16.725 -3.783 1.00 26.40 C ATOM 1643 C ASN A 175 3.096 15.822 -3.773 1.00 26.75 C ATOM 1644 O ASN A 175 3.905 15.859 -4.701 1.00 28.99 O ATOM 1645 CB ASN A 175 1.966 17.782 -4.878 1.00 26.50 C ATOM 1646 CG ASN A 175 0.649 18.524 -5.043 1.00 26.55 C ATOM 1647 OD1 ASN A 175 -0.406 17.913 -4.931 1.00 28.03 O ATOM 1648 ND2 ASN A 175 0.702 19.816 -5.286 1.00 28.11 N ATOM 1649 HD22 ASN A 175 1.623 20.291 -5.373 1.00 0.00 H ATOM 1650 HD21 ASN A 175 -0.177 20.362 -5.391 1.00 0.00 H ATOM 1651 H ASN A 175 0.726 17.273 -2.043 1.00 0.00 H ATOM 1652 N GLY A 176 3.235 15.048 -2.696 1.00 27.36 N ATOM 1653 CA GLY A 176 4.335 14.091 -2.570 1.00 31.09 C ATOM 1654 C GLY A 176 5.656 14.673 -2.094 1.00 30.90 C ATOM 1655 O GLY A 176 6.648 13.960 -2.039 1.00 30.57 O ATOM 1656 H GLY A 176 2.542 15.127 -1.924 1.00 0.00 H ATOM 1657 N LYS A 177 5.683 15.963 -1.770 1.00 28.21 N ATOM 1658 CA LYS A 177 6.910 16.614 -1.308 1.00 28.89 C ATOM 1659 C LYS A 177 6.736 16.982 0.150 1.00 26.13 C ATOM 1660 O LYS A 177 5.860 17.782 0.480 1.00 26.91 O ATOM 1661 CB LYS A 177 7.198 17.868 -2.116 1.00 28.79 C ATOM 1662 CG LYS A 177 7.489 17.658 -3.599 1.00 31.47 C ATOM 1663 CD LYS A 177 8.729 16.811 -3.826 1.00 35.16 C ATOM 1664 CE LYS A 177 9.097 16.691 -5.306 1.00 37.16 C ATOM 1665 NZ LYS A 177 10.291 15.791 -5.389 1.00 39.34 N ATOM 1666 HZ1 LYS A 177 11.075 16.207 -4.847 1.00 0.00 H ATOM 1667 HZ2 LYS A 177 10.050 14.860 -4.993 1.00 0.00 H ATOM 1668 HZ3 LYS A 177 10.574 15.683 -6.384 1.00 0.00 H ATOM 1669 H LYS A 177 4.810 16.523 -1.847 1.00 0.00 H ATOM 1670 N GLU A 178 7.554 16.416 1.026 1.00 24.85 N ATOM 1671 CA GLU A 178 7.446 16.758 2.443 1.00 24.41 C ATOM 1672 C GLU A 178 7.996 18.168 2.638 1.00 25.18 C ATOM 1673 O GLU A 178 8.976 18.549 2.001 1.00 24.07 O ATOM 1674 CB GLU A 178 8.206 15.755 3.295 1.00 26.84 C ATOM 1675 CG GLU A 178 7.609 14.361 3.207 1.00 29.33 C ATOM 1676 CD GLU A 178 8.199 13.398 4.205 1.00 32.05 C ATOM 1677 OE1 GLU A 178 9.389 13.460 4.453 1.00 36.69 O ATOM 1678 OE2 GLU A 178 7.463 12.565 4.751 1.00 36.98 O ATOM 1679 H GLU A 178 8.269 15.732 0.707 1.00 0.00 H ATOM 1680 N TYR A 179 7.374 18.942 3.510 1.00 24.08 N ATOM 1681 CA TYR A 179 7.873 20.285 3.789 1.00 24.28 C ATOM 1682 C TYR A 179 7.831 20.656 5.275 1.00 23.53 C ATOM 1683 O TYR A 179 7.123 20.047 6.065 1.00 23.85 O ATOM 1684 CB TYR A 179 7.095 21.332 2.963 1.00 24.79 C ATOM 1685 CG TYR A 179 5.652 21.422 3.374 1.00 23.95 C ATOM 1686 CD1 TYR A 179 4.670 20.649 2.760 1.00 24.96 C ATOM 1687 CD2 TYR A 179 5.271 22.219 4.436 1.00 25.99 C ATOM 1688 CE1 TYR A 179 3.337 20.679 3.202 1.00 25.12 C ATOM 1689 CE2 TYR A 179 3.968 22.257 4.870 1.00 25.26 C ATOM 1690 CZ TYR A 179 2.997 21.495 4.246 1.00 27.02 C ATOM 1691 OH TYR A 179 1.724 21.571 4.738 1.00 27.40 O ATOM 1692 HH TYR A 179 1.719 21.279 5.684 1.00 0.00 H ATOM 1693 H TYR A 179 6.525 18.593 3.999 1.00 0.00 H ATOM 1694 N TRP A 180 8.603 21.677 5.598 1.00 23.39 N ATOM 1695 CA TRP A 180 8.512 22.441 6.816 1.00 24.57 C ATOM 1696 C TRP A 180 7.794 23.742 6.488 1.00 23.46 C ATOM 1697 O TRP A 180 8.101 24.386 5.470 1.00 22.57 O ATOM 1698 CB TRP A 180 9.912 22.814 7.329 1.00 24.74 C ATOM 1699 CG TRP A 180 10.723 21.656 7.739 1.00 24.58 C ATOM 1700 CD1 TRP A 180 11.815 21.164 7.096 1.00 25.13 C ATOM 1701 CD2 TRP A 180 10.529 20.819 8.890 1.00 23.95 C ATOM 1702 NE1 TRP A 180 12.313 20.084 7.765 1.00 25.32 N ATOM 1703 CE2 TRP A 180 11.542 19.840 8.864 1.00 23.61 C ATOM 1704 CE3 TRP A 180 9.591 20.789 9.922 1.00 23.44 C ATOM 1705 CZ2 TRP A 180 11.638 18.840 9.833 1.00 24.08 C ATOM 1706 CZ3 TRP A 180 9.688 19.801 10.887 1.00 23.41 C ATOM 1707 CH2 TRP A 180 10.714 18.849 10.843 1.00 23.19 C ATOM 1708 HE1 TRP A 180 13.149 19.533 7.482 1.00 0.00 H ATOM 1709 H TRP A 180 9.338 21.953 4.916 1.00 0.00 H ATOM 1710 N LEU A 181 6.841 24.116 7.332 1.00 23.32 N ATOM 1711 CA LEU A 181 6.134 25.381 7.172 1.00 22.83 C ATOM 1712 C LEU A 181 6.850 26.457 7.977 1.00 23.23 C ATOM 1713 O LEU A 181 6.858 26.404 9.210 1.00 24.76 O ATOM 1714 CB LEU A 181 4.706 25.255 7.650 1.00 23.71 C ATOM 1715 CG LEU A 181 3.800 26.475 7.470 1.00 24.78 C ATOM 1716 CD1 LEU A 181 3.662 26.909 6.017 1.00 25.76 C ATOM 1717 CD2 LEU A 181 2.444 26.143 8.058 1.00 27.69 C ATOM 1718 H LEU A 181 6.593 23.492 8.126 1.00 0.00 H ATOM 1719 N VAL A 182 7.407 27.422 7.271 1.00 23.47 N ATOM 1720 CA VAL A 182 8.290 28.428 7.846 1.00 22.78 C ATOM 1721 C VAL A 182 7.679 29.823 7.752 1.00 23.26 C ATOM 1722 O VAL A 182 7.325 30.304 6.658 1.00 24.15 O ATOM 1723 CB VAL A 182 9.638 28.400 7.145 1.00 23.08 C ATOM 1724 CG1 VAL A 182 10.563 29.514 7.659 1.00 23.62 C ATOM 1725 CG2 VAL A 182 10.289 27.043 7.339 1.00 24.55 C ATOM 1726 H VAL A 182 7.205 27.467 6.252 1.00 0.00 H ATOM 1727 N LYS A 183 7.600 30.477 8.903 1.00 22.17 N ATOM 1728 CA LYS A 183 7.226 31.887 9.009 1.00 22.74 C ATOM 1729 C LYS A 183 8.471 32.764 8.903 1.00 22.22 C ATOM 1730 O LYS A 183 9.404 32.621 9.696 1.00 23.11 O ATOM 1731 CB LYS A 183 6.506 32.127 10.340 1.00 22.22 C ATOM 1732 CG LYS A 183 5.921 33.532 10.473 1.00 22.74 C ATOM 1733 CD LYS A 183 5.543 33.848 11.911 1.00 24.19 C ATOM 1734 CE LYS A 183 4.660 35.093 11.984 1.00 23.71 C ATOM 1735 NZ LYS A 183 4.547 35.613 13.364 1.00 25.90 N ATOM 1736 HZ1 LYS A 183 4.130 34.882 13.975 1.00 0.00 H ATOM 1737 HZ2 LYS A 183 5.492 35.864 13.717 1.00 0.00 H ATOM 1738 HZ3 LYS A 183 3.939 36.457 13.366 1.00 0.00 H ATOM 1739 H LYS A 183 7.816 29.959 9.778 1.00 0.00 H ATOM 1740 N ASN A 184 8.511 33.628 7.903 1.00 23.16 N ATOM 1741 CA ASN A 184 9.615 34.579 7.695 1.00 23.49 C ATOM 1742 C ASN A 184 9.228 35.943 8.255 1.00 25.05 C ATOM 1743 O ASN A 184 8.093 36.120 8.735 1.00 27.07 O ATOM 1744 CB ASN A 184 9.924 34.653 6.186 1.00 26.31 C ATOM 1745 CG ASN A 184 11.307 35.210 5.877 1.00 27.28 C ATOM 1746 OD1 ASN A 184 12.097 35.475 6.761 1.00 26.04 O ATOM 1747 ND2 ASN A 184 11.576 35.418 4.603 1.00 26.76 N ATOM 1748 HD22 ASN A 184 10.872 35.177 3.877 1.00 0.00 H ATOM 1749 HD21 ASN A 184 12.493 35.823 4.324 1.00 0.00 H ATOM 1750 H ASN A 184 7.720 33.636 7.227 1.00 0.00 H ATOM 1751 N SER A 185 10.150 36.911 8.230 1.00 22.78 N ATOM 1752 CA SER A 185 9.887 38.256 8.720 1.00 24.09 C ATOM 1753 C SER A 185 10.204 39.311 7.665 1.00 24.67 C ATOM 1754 O SER A 185 10.782 40.357 7.969 1.00 24.03 O ATOM 1755 CB SER A 185 10.672 38.509 10.031 1.00 25.34 C ATOM 1756 OG SER A 185 12.056 38.261 9.884 1.00 24.91 O ATOM 1757 HG SER A 185 12.425 38.858 9.185 1.00 0.00 H ATOM 1758 H SER A 185 11.092 36.694 7.845 1.00 0.00 H ATOM 1759 N TRP A 186 9.839 39.005 6.421 1.00 24.57 N ATOM 1760 CA TRP A 186 9.998 39.929 5.320 1.00 25.36 C ATOM 1761 C TRP A 186 8.633 40.443 4.829 1.00 26.31 C ATOM 1762 O TRP A 186 8.485 40.786 3.647 1.00 26.91 O ATOM 1763 CB TRP A 186 10.720 39.242 4.165 1.00 25.90 C ATOM 1764 CG TRP A 186 12.177 38.930 4.439 1.00 27.28 C ATOM 1765 CD1 TRP A 186 12.929 39.318 5.507 1.00 29.41 C ATOM 1766 CD2 TRP A 186 13.037 38.186 3.590 1.00 27.91 C ATOM 1767 NE1 TRP A 186 14.214 38.827 5.394 1.00 30.19 N ATOM 1768 CE2 TRP A 186 14.307 38.140 4.211 1.00 28.73 C ATOM 1769 CE3 TRP A 186 12.867 37.555 2.356 1.00 29.09 C ATOM 1770 CZ2 TRP A 186 15.388 37.459 3.653 1.00 28.92 C ATOM 1771 CZ3 TRP A 186 13.969 36.868 1.789 1.00 29.04 C ATOM 1772 CH2 TRP A 186 15.194 36.829 2.439 1.00 28.21 C ATOM 1773 HE1 TRP A 186 14.979 38.956 6.086 1.00 0.00 H ATOM 1774 H TRP A 186 9.425 38.069 6.235 1.00 0.00 H ATOM 1775 N GLY A 187 7.649 40.459 5.719 1.00 25.36 N ATOM 1776 CA GLY A 187 6.343 41.014 5.413 1.00 28.34 C ATOM 1777 C GLY A 187 5.478 40.026 4.657 1.00 28.19 C ATOM 1778 O GLY A 187 5.952 38.954 4.282 1.00 26.20 O ATOM 1779 H GLY A 187 7.819 40.062 6.665 1.00 0.00 H ATOM 1780 N HIS A 188 4.221 40.382 4.408 1.00 29.24 N ATOM 1781 CA HIS A 188 3.279 39.481 3.683 1.00 30.82 C ATOM 1782 C HIS A 188 3.556 39.367 2.167 1.00 30.32 C ATOM 1783 O HIS A 188 3.004 38.488 1.511 1.00 32.49 O ATOM 1784 CB HIS A 188 1.819 39.939 3.855 1.00 34.57 C ATOM 1785 CG HIS A 188 1.325 39.873 5.258 1.00 37.86 C ATOM 1786 ND1 HIS A 188 1.445 40.925 6.140 1.00 40.04 N ATOM 1787 CD2 HIS A 188 0.719 38.874 5.942 1.00 41.33 C ATOM 1788 CE1 HIS A 188 0.946 40.572 7.313 1.00 41.59 C ATOM 1789 NE2 HIS A 188 0.487 39.337 7.217 1.00 42.98 N ATOM 1790 H HIS A 188 3.886 41.313 4.727 1.00 0.00 H ATOM 1791 N ASN A 189 4.383 40.249 1.605 1.00 31.82 N ATOM 1792 CA ASN A 189 4.720 40.201 0.169 1.00 32.91 C ATOM 1793 C ASN A 189 5.601 39.007 -0.157 1.00 31.99 C ATOM 1794 O ASN A 189 5.562 38.481 -1.274 1.00 29.37 O ATOM 1795 CB ASN A 189 5.470 41.480 -0.283 1.00 36.36 C ATOM 1796 CG ASN A 189 5.798 41.482 -1.804 1.00 40.35 C ATOM 1797 OD1 ASN A 189 4.923 41.745 -2.621 1.00 41.49 O ATOM 1798 ND2 ASN A 189 7.052 41.168 -2.179 1.00 42.79 N ATOM 1799 HD22 ASN A 189 7.771 40.950 -1.460 1.00 0.00 H ATOM 1800 HD21 ASN A 189 7.302 41.143 -3.188 1.00 0.00 H ATOM 1801 H ASN A 189 4.804 40.994 2.197 1.00 0.00 H ATOM 1802 N PHE A 190 6.411 38.587 0.820 1.00 27.47 N ATOM 1803 CA PHE A 190 7.306 37.461 0.609 1.00 25.99 C ATOM 1804 C PHE A 190 6.539 36.142 0.544 1.00 25.82 C ATOM 1805 O PHE A 190 5.688 35.860 1.401 1.00 24.56 O ATOM 1806 CB PHE A 190 8.346 37.380 1.724 1.00 25.70 C ATOM 1807 CG PHE A 190 9.098 36.086 1.729 1.00 25.75 C ATOM 1808 CD1 PHE A 190 10.114 35.855 0.816 1.00 27.51 C ATOM 1809 CD2 PHE A 190 8.727 35.055 2.579 1.00 25.83 C ATOM 1810 CE1 PHE A 190 10.785 34.650 0.794 1.00 27.84 C ATOM 1811 CE2 PHE A 190 9.392 33.836 2.554 1.00 24.74 C ATOM 1812 CZ PHE A 190 10.409 33.636 1.656 1.00 27.12 C ATOM 1813 H PHE A 190 6.401 39.071 1.741 1.00 0.00 H ATOM 1814 N GLY A 191 6.857 35.307 -0.444 1.00 25.36 N ATOM 1815 CA GLY A 191 6.336 33.953 -0.482 1.00 26.38 C ATOM 1816 C GLY A 191 4.819 33.860 -0.454 1.00 27.97 C ATOM 1817 O GLY A 191 4.113 34.619 -1.144 1.00 29.31 O ATOM 1818 H GLY A 191 7.490 35.631 -1.202 1.00 0.00 H ATOM 1819 N GLU A 192 4.320 32.934 0.360 1.00 27.98 N ATOM 1820 CA GLU A 192 2.890 32.709 0.557 1.00 28.68 C ATOM 1821 C GLU A 192 2.415 33.462 1.785 1.00 27.01 C ATOM 1822 O GLU A 192 2.369 32.912 2.879 1.00 26.19 O ATOM 1823 CB GLU A 192 2.589 31.213 0.715 1.00 32.02 C ATOM 1824 CG GLU A 192 3.065 30.346 -0.450 1.00 36.56 C ATOM 1825 CD GLU A 192 1.985 30.029 -1.464 1.00 46.22 C ATOM 1826 OE1 GLU A 192 1.214 30.969 -1.789 1.00 50.01 O ATOM 1827 OE2 GLU A 192 1.931 28.855 -1.945 1.00 45.42 O ATOM 1828 H GLU A 192 4.987 32.335 0.887 1.00 0.00 H ATOM 1829 N GLU A 193 2.126 34.749 1.598 1.00 26.67 N ATOM 1830 CA GLU A 193 1.643 35.626 2.654 1.00 28.23 C ATOM 1831 C GLU A 193 2.636 35.659 3.839 1.00 25.45 C ATOM 1832 O GLU A 193 2.236 35.684 5.001 1.00 24.64 O ATOM 1833 CB GLU A 193 0.236 35.229 3.110 1.00 30.68 C ATOM 1834 CG GLU A 193 -0.871 35.362 2.028 1.00 33.85 C ATOM 1835 CD GLU A 193 -1.118 36.782 1.514 1.00 35.41 C ATOM 1836 OE1 GLU A 193 -0.725 37.788 2.162 1.00 32.61 O ATOM 1837 OE2 GLU A 193 -1.768 36.893 0.439 1.00 39.22 O ATOM 1838 H GLU A 193 2.252 35.148 0.646 1.00 0.00 H ATOM 1839 N GLY A 194 3.925 35.623 3.505 1.00 25.91 N ATOM 1840 CA GLY A 194 4.996 35.736 4.493 1.00 24.67 C ATOM 1841 C GLY A 194 5.620 34.423 4.882 1.00 24.31 C ATOM 1842 O GLY A 194 6.566 34.421 5.645 1.00 24.06 O ATOM 1843 H GLY A 194 4.179 35.510 2.503 1.00 0.00 H ATOM 1844 N TYR A 195 5.056 33.322 4.374 1.00 23.57 N ATOM 1845 CA TYR A 195 5.478 31.945 4.671 1.00 23.38 C ATOM 1846 C TYR A 195 6.195 31.297 3.503 1.00 22.99 C ATOM 1847 O TYR A 195 5.960 31.635 2.330 1.00 22.95 O ATOM 1848 CB TYR A 195 4.251 31.090 5.049 1.00 22.94 C ATOM 1849 CG TYR A 195 3.666 31.511 6.372 1.00 23.77 C ATOM 1850 CD1 TYR A 195 4.053 30.895 7.543 1.00 25.47 C ATOM 1851 CD2 TYR A 195 2.762 32.580 6.447 1.00 24.14 C ATOM 1852 CE1 TYR A 195 3.556 31.309 8.745 1.00 27.07 C ATOM 1853 CE2 TYR A 195 2.262 32.996 7.639 1.00 25.70 C ATOM 1854 CZ TYR A 195 2.682 32.360 8.793 1.00 25.79 C ATOM 1855 OH TYR A 195 2.181 32.775 9.986 1.00 28.58 O ATOM 1856 HH TYR A 195 2.411 33.728 10.126 1.00 0.00 H ATOM 1857 H TYR A 195 4.258 33.449 3.719 1.00 0.00 H ATOM 1858 N ILE A 196 7.054 30.335 3.830 1.00 23.50 N ATOM 1859 CA ILE A 196 7.702 29.500 2.832 1.00 23.38 C ATOM 1860 C ILE A 196 7.645 28.039 3.286 1.00 23.41 C ATOM 1861 O ILE A 196 7.868 27.728 4.459 1.00 24.96 O ATOM 1862 CB ILE A 196 9.169 29.965 2.518 1.00 23.63 C ATOM 1863 CG1 ILE A 196 9.833 29.023 1.498 1.00 23.59 C ATOM 1864 CG2 ILE A 196 10.021 30.091 3.791 1.00 24.29 C ATOM 1865 CD1 ILE A 196 11.121 29.546 0.914 1.00 24.71 C ATOM 1866 H ILE A 196 7.269 30.175 4.835 1.00 0.00 H ATOM 1867 N ARG A 197 7.263 27.174 2.363 1.00 23.77 N ATOM 1868 CA ARG A 197 7.347 25.749 2.566 1.00 24.40 C ATOM 1869 C ARG A 197 8.695 25.271 2.085 1.00 23.45 C ATOM 1870 O ARG A 197 9.009 25.387 0.897 1.00 24.89 O ATOM 1871 CB ARG A 197 6.236 25.025 1.817 1.00 24.75 C ATOM 1872 CG ARG A 197 4.823 25.338 2.234 1.00 28.11 C ATOM 1873 CD ARG A 197 3.839 24.511 1.372 1.00 31.77 C ATOM 1874 NE ARG A 197 2.542 25.154 1.434 1.00 38.06 N ATOM 1875 CZ ARG A 197 2.124 26.117 0.623 1.00 44.21 C ATOM 1876 NH1 ARG A 197 2.848 26.519 -0.430 1.00 45.42 N ATOM 1877 NH2 ARG A 197 0.926 26.660 0.851 1.00 51.86 N ATOM 1878 HE ARG A 197 1.885 24.835 2.175 1.00 0.00 H ATOM 1879 HH12 ARG A 197 2.492 27.277 -1.047 1.00 0.00 H ATOM 1880 HH11 ARG A 197 3.766 26.073 -0.631 1.00 0.00 H ATOM 1881 HH22 ARG A 197 0.572 27.417 0.232 1.00 0.00 H ATOM 1882 HH21 ARG A 197 0.347 26.326 1.648 1.00 0.00 H ATOM 1883 H ARG A 197 6.890 27.533 1.461 1.00 0.00 H ATOM 1884 N MET A 198 9.494 24.721 2.997 1.00 24.36 N ATOM 1885 CA MET A 198 10.866 24.312 2.683 1.00 24.18 C ATOM 1886 C MET A 198 11.020 22.796 2.744 1.00 23.87 C ATOM 1887 O MET A 198 10.455 22.126 3.624 1.00 24.68 O ATOM 1888 CB MET A 198 11.848 25.016 3.623 1.00 25.19 C ATOM 1889 CG MET A 198 11.873 26.539 3.455 1.00 26.59 C ATOM 1890 SD MET A 198 13.066 27.397 4.520 1.00 27.65 S ATOM 1891 CE MET A 198 14.566 26.859 3.702 1.00 28.33 C ATOM 1892 H MET A 198 9.134 24.577 3.962 1.00 0.00 H ATOM 1893 N ALA A 199 11.796 22.252 1.817 1.00 24.69 N ATOM 1894 CA ALA A 199 11.968 20.793 1.718 1.00 23.98 C ATOM 1895 C ALA A 199 12.340 20.142 3.058 1.00 24.44 C ATOM 1896 O ALA A 199 13.234 20.617 3.753 1.00 24.42 O ATOM 1897 CB ALA A 199 13.005 20.460 0.679 1.00 24.23 C ATOM 1898 H ALA A 199 12.294 22.869 1.145 1.00 0.00 H ATOM 1899 N ARG A 200 11.644 19.047 3.374 1.00 23.71 N ATOM 1900 CA ARG A 200 11.813 18.291 4.605 1.00 25.38 C ATOM 1901 C ARG A 200 12.252 16.862 4.281 1.00 26.19 C ATOM 1902 O ARG A 200 11.871 16.291 3.245 1.00 25.27 O ATOM 1903 CB ARG A 200 10.508 18.292 5.388 1.00 24.85 C ATOM 1904 CG ARG A 200 10.489 17.443 6.661 1.00 24.65 C ATOM 1905 CD ARG A 200 9.277 17.788 7.516 1.00 25.55 C ATOM 1906 NE ARG A 200 8.006 17.330 6.936 1.00 26.34 N ATOM 1907 CZ ARG A 200 7.453 16.133 7.162 1.00 26.87 C ATOM 1908 NH1 ARG A 200 8.037 15.238 7.948 1.00 27.65 N ATOM 1909 NH2 ARG A 200 6.294 15.826 6.599 1.00 28.55 N ATOM 1910 HE ARG A 200 7.500 17.984 6.305 1.00 0.00 H ATOM 1911 HH12 ARG A 200 7.587 14.314 8.108 1.00 0.00 H ATOM 1912 HH11 ARG A 200 8.945 15.460 8.404 1.00 0.00 H ATOM 1913 HH22 ARG A 200 5.862 14.896 6.773 1.00 0.00 H ATOM 1914 HH21 ARG A 200 5.816 16.515 5.983 1.00 0.00 H ATOM 1915 H ARG A 200 10.933 18.712 2.693 1.00 0.00 H ATOM 1916 N ASN A 201 13.092 16.319 5.151 1.00 26.79 N ATOM 1917 CA ASN A 201 13.737 15.015 4.953 1.00 27.92 C ATOM 1918 C ASN A 201 14.487 14.917 3.635 1.00 30.00 C ATOM 1919 O ASN A 201 14.533 13.857 3.002 1.00 30.92 O ATOM 1920 CB ASN A 201 12.716 13.873 5.119 1.00 28.87 C ATOM 1921 CG ASN A 201 12.189 13.785 6.536 1.00 32.94 C ATOM 1922 OD1 ASN A 201 12.907 14.075 7.482 1.00 36.12 O ATOM 1923 ND2 ASN A 201 10.941 13.385 6.689 1.00 33.31 N ATOM 1924 HD22 ASN A 201 10.365 13.148 5.856 1.00 0.00 H ATOM 1925 HD21 ASN A 201 10.533 13.307 7.643 1.00 0.00 H ATOM 1926 H ASN A 201 13.306 16.846 6.022 1.00 0.00 H ATOM 1927 N LYS A 202 15.104 16.029 3.236 1.00 27.82 N ATOM 1928 CA LYS A 202 15.981 16.062 2.091 1.00 29.17 C ATOM 1929 C LYS A 202 17.388 16.469 2.528 1.00 29.42 C ATOM 1930 O LYS A 202 17.966 17.435 2.022 1.00 28.70 O ATOM 1931 CB LYS A 202 15.455 17.050 1.053 1.00 30.34 C ATOM 1932 CG LYS A 202 14.163 16.604 0.406 1.00 31.20 C ATOM 1933 CD LYS A 202 14.399 15.539 -0.633 1.00 33.04 C ATOM 1934 CE LYS A 202 13.088 15.153 -1.305 1.00 37.21 C ATOM 1935 NZ LYS A 202 13.259 13.907 -2.108 1.00 39.63 N ATOM 1936 HZ1 LYS A 202 13.981 14.064 -2.840 1.00 0.00 H ATOM 1937 HZ2 LYS A 202 13.560 13.132 -1.483 1.00 0.00 H ATOM 1938 HZ3 LYS A 202 12.355 13.660 -2.559 1.00 0.00 H ATOM 1939 H LYS A 202 14.947 16.907 3.771 1.00 0.00 H ATOM 1940 N GLY A 203 17.922 15.733 3.493 1.00 28.14 N ATOM 1941 CA GLY A 203 19.290 15.941 3.944 1.00 29.38 C ATOM 1942 C GLY A 203 19.539 17.281 4.627 1.00 28.12 C ATOM 1943 O GLY A 203 20.548 17.930 4.366 1.00 28.17 O ATOM 1944 H GLY A 203 17.349 14.988 3.939 1.00 0.00 H ATOM 1945 N ASN A 204 18.646 17.681 5.526 1.00 26.40 N ATOM 1946 CA ASN A 204 18.803 18.926 6.264 1.00 26.82 C ATOM 1947 C ASN A 204 18.953 20.090 5.291 1.00 26.88 C ATOM 1948 O ASN A 204 19.889 20.891 5.350 1.00 24.88 O ATOM 1949 CB ASN A 204 19.995 18.843 7.236 1.00 26.71 C ATOM 1950 CG ASN A 204 20.103 20.057 8.123 1.00 26.02 C ATOM 1951 OD1 ASN A 204 19.117 20.779 8.330 1.00 26.48 O ATOM 1952 ND2 ASN A 204 21.291 20.305 8.641 1.00 23.43 N ATOM 1953 HD22 ASN A 204 22.089 19.670 8.439 1.00 0.00 H ATOM 1954 HD21 ASN A 204 21.429 21.136 9.252 1.00 0.00 H ATOM 1955 H ASN A 204 17.811 17.088 5.708 1.00 0.00 H ATOM 1956 N HIS A 205 17.982 20.173 4.391 1.00 25.48 N ATOM 1957 CA HIS A 205 18.037 21.134 3.298 1.00 26.04 C ATOM 1958 C HIS A 205 18.099 22.569 3.817 1.00 24.67 C ATOM 1959 O HIS A 205 17.287 22.960 4.673 1.00 23.13 O ATOM 1960 CB HIS A 205 16.878 20.919 2.321 1.00 25.64 C ATOM 1961 CG HIS A 205 17.093 21.590 1.011 1.00 25.63 C ATOM 1962 ND1 HIS A 205 18.135 21.252 0.177 1.00 24.99 N ATOM 1963 CD2 HIS A 205 16.415 22.581 0.391 1.00 25.45 C ATOM 1964 CE1 HIS A 205 18.093 22.010 -0.897 1.00 24.55 C ATOM 1965 NE2 HIS A 205 17.055 22.821 -0.794 1.00 25.51 N ATOM 1966 H HIS A 205 17.163 19.537 4.468 1.00 0.00 H ATOM 1967 N CYS A 206 19.077 23.343 3.321 1.00 24.66 N ATOM 1968 CA CYS A 206 19.274 24.735 3.733 1.00 23.94 C ATOM 1969 C CYS A 206 19.564 24.874 5.225 1.00 24.02 C ATOM 1970 O CYS A 206 19.516 25.975 5.764 1.00 24.99 O ATOM 1971 CB CYS A 206 18.094 25.649 3.365 1.00 25.80 C ATOM 1972 SG CYS A 206 17.758 25.701 1.580 1.00 28.41 S ATOM 1973 H CYS A 206 19.723 22.937 2.614 1.00 0.00 H ATOM 1974 N GLY A 207 19.929 23.775 5.874 1.00 22.85 N ATOM 1975 CA GLY A 207 20.327 23.817 7.275 1.00 24.48 C ATOM 1976 C GLY A 207 19.165 24.027 8.229 1.00 22.69 C ATOM 1977 O GLY A 207 19.364 24.414 9.374 1.00 23.02 O ATOM 1978 H GLY A 207 19.931 22.864 5.372 1.00 0.00 H ATOM 1979 N ILE A 208 17.950 23.755 7.768 1.00 22.22 N ATOM 1980 CA ILE A 208 16.774 24.029 8.555 1.00 22.83 C ATOM 1981 C ILE A 208 16.798 23.371 9.952 1.00 22.06 C ATOM 1982 O ILE A 208 16.314 23.928 10.921 1.00 21.21 O ATOM 1983 CB ILE A 208 15.488 23.683 7.766 1.00 24.12 C ATOM 1984 CG1 ILE A 208 14.272 24.275 8.498 1.00 26.90 C ATOM 1985 CG2 ILE A 208 15.361 22.186 7.533 1.00 24.68 C ATOM 1986 CD1 ILE A 208 13.155 24.675 7.571 1.00 27.06 C ATOM 1987 H ILE A 208 17.845 23.337 6.822 1.00 0.00 H ATOM 1988 N ALA A 209 17.377 22.171 10.050 1.00 24.01 N ATOM 1989 CA ALA A 209 17.433 21.446 11.327 1.00 23.32 C ATOM 1990 C ALA A 209 18.807 21.542 12.003 1.00 24.45 C ATOM 1991 O ALA A 209 19.059 20.817 12.980 1.00 23.48 O ATOM 1992 CB ALA A 209 17.029 19.985 11.134 1.00 24.83 C ATOM 1993 H ALA A 209 17.798 21.740 9.202 1.00 0.00 H ATOM 1994 N SER A 210 19.661 22.446 11.510 1.00 22.57 N ATOM 1995 CA SER A 210 21.020 22.613 12.047 1.00 24.79 C ATOM 1996 C SER A 210 20.987 23.126 13.490 1.00 25.82 C ATOM 1997 O SER A 210 21.576 22.507 14.382 1.00 24.36 O ATOM 1998 CB SER A 210 21.858 23.528 11.153 1.00 25.40 C ATOM 1999 OG SER A 210 22.182 22.896 9.904 1.00 24.60 O ATOM 2000 HG SER A 210 22.699 22.070 10.078 1.00 0.00 H ATOM 2001 H SER A 210 19.354 23.050 10.721 1.00 0.00 H ATOM 2002 N PHE A 211 20.286 24.245 13.720 1.00 23.58 N ATOM 2003 CA PHE A 211 20.268 24.893 15.031 1.00 24.07 C ATOM 2004 C PHE A 211 18.858 25.270 15.502 1.00 24.36 C ATOM 2005 O PHE A 211 18.526 26.450 15.595 1.00 25.11 O ATOM 2006 CB PHE A 211 21.187 26.127 15.011 1.00 25.99 C ATOM 2007 CG PHE A 211 22.615 25.802 14.647 1.00 27.22 C ATOM 2008 CD1 PHE A 211 23.412 25.069 15.519 1.00 30.02 C ATOM 2009 CD2 PHE A 211 23.151 26.193 13.427 1.00 29.14 C ATOM 2010 CE1 PHE A 211 24.721 24.752 15.186 1.00 29.53 C ATOM 2011 CE2 PHE A 211 24.466 25.879 13.097 1.00 31.03 C ATOM 2012 CZ PHE A 211 25.241 25.156 13.978 1.00 30.48 C ATOM 2013 H PHE A 211 19.738 24.665 12.942 1.00 0.00 H ATOM 2014 N PRO A 212 18.039 24.267 15.850 1.00 22.57 N ATOM 2015 CA PRO A 212 16.680 24.552 16.271 1.00 23.73 C ATOM 2016 C PRO A 212 16.618 24.715 17.770 1.00 24.23 C ATOM 2017 O PRO A 212 17.383 24.069 18.492 1.00 25.10 O ATOM 2018 CB PRO A 212 15.908 23.287 15.844 1.00 23.56 C ATOM 2019 CG PRO A 212 16.904 22.409 15.158 1.00 23.10 C ATOM 2020 CD PRO A 212 18.234 22.826 15.718 1.00 23.86 C ATOM 2021 N SER A 213 15.751 25.607 18.232 1.00 23.01 N ATOM 2022 CA SER A 213 15.532 25.803 19.652 1.00 23.02 C ATOM 2023 C SER A 213 14.114 26.293 19.942 1.00 24.37 C ATOM 2024 O SER A 213 13.455 26.921 19.098 1.00 23.41 O ATOM 2025 CB SER A 213 16.530 26.816 20.225 1.00 24.38 C ATOM 2026 OG SER A 213 16.493 28.057 19.560 1.00 24.88 O ATOM 2027 HG SER A 213 16.712 27.924 18.604 1.00 0.00 H ATOM 2028 H SER A 213 15.212 26.183 17.555 1.00 0.00 H ATOM 2029 N TYR A 214 13.653 26.044 21.160 1.00 23.80 N ATOM 2030 CA TYR A 214 12.358 26.570 21.562 1.00 24.70 C ATOM 2031 C TYR A 214 12.401 26.903 23.045 1.00 24.80 C ATOM 2032 O TYR A 214 13.087 26.215 23.838 1.00 25.19 O ATOM 2033 CB TYR A 214 11.222 25.590 21.232 1.00 24.96 C ATOM 2034 CG TYR A 214 11.306 24.295 21.991 1.00 26.63 C ATOM 2035 CD1 TYR A 214 12.008 23.223 21.485 1.00 27.98 C ATOM 2036 CD2 TYR A 214 10.704 24.156 23.238 1.00 28.68 C ATOM 2037 CE1 TYR A 214 12.104 22.029 22.182 1.00 28.36 C ATOM 2038 CE2 TYR A 214 10.804 22.980 23.948 1.00 28.90 C ATOM 2039 CZ TYR A 214 11.516 21.927 23.416 1.00 29.29 C ATOM 2040 OH TYR A 214 11.601 20.756 24.100 1.00 30.06 O ATOM 2041 HH TYR A 214 12.029 20.918 24.978 1.00 0.00 H ATOM 2042 H TYR A 214 14.215 25.475 21.825 1.00 0.00 H ATOM 2043 N PRO A 215 11.694 27.967 23.422 1.00 24.94 N ATOM 2044 CA PRO A 215 11.578 28.402 24.791 1.00 25.24 C ATOM 2045 C PRO A 215 10.434 27.710 25.496 1.00 26.53 C ATOM 2046 O PRO A 215 9.549 27.147 24.852 1.00 25.50 O ATOM 2047 CB PRO A 215 11.246 29.885 24.629 1.00 25.19 C ATOM 2048 CG PRO A 215 10.387 29.919 23.409 1.00 26.24 C ATOM 2049 CD PRO A 215 10.908 28.835 22.511 1.00 25.14 C ATOM 2050 N GLU A 216 10.440 27.774 26.826 1.00 27.32 N ATOM 2051 CA GLU A 216 9.308 27.340 27.611 1.00 31.44 C ATOM 2052 C GLU A 216 9.010 28.335 28.724 1.00 31.13 C ATOM 2053 O GLU A 216 9.901 29.074 29.162 1.00 30.81 O ATOM 2054 CB GLU A 216 9.549 25.939 28.159 1.00 33.82 C ATOM 2055 CG GLU A 216 9.236 24.892 27.099 1.00 36.77 C ATOM 2056 CD GLU A 216 9.575 23.496 27.539 1.00 39.81 C ATOM 2057 OE1 GLU A 216 8.630 22.734 27.847 1.00 39.37 O ATOM 2058 OE2 GLU A 216 10.775 23.168 27.585 1.00 38.88 O ATOM 2059 H GLU A 216 11.281 28.146 27.312 1.00 0.00 H ATOM 2060 N ILE A 217 7.744 28.370 29.125 1.00 29.79 N ATOM 2061 CA ILE A 217 7.285 29.262 30.181 1.00 32.33 C ATOM 2062 C ILE A 217 6.856 28.432 31.394 1.00 35.81 C ATOM 2063 O ILE A 217 6.106 27.466 31.248 1.00 38.94 O ATOM 2064 CB ILE A 217 6.094 30.127 29.696 1.00 32.06 C ATOM 2065 CG1 ILE A 217 6.489 30.922 28.450 1.00 32.67 C ATOM 2066 CG2 ILE A 217 5.632 31.061 30.810 1.00 31.90 C ATOM 2067 CD1 ILE A 217 5.385 31.763 27.840 1.00 35.07 C ATOM 2068 H ILE A 217 7.056 27.738 28.669 1.00 0.00 H ATOM 2069 N GLU A 218 7.325 28.817 32.579 1.00 41.63 N ATOM 2070 CA GLU A 218 6.953 28.137 33.837 1.00 46.18 C ATOM 2071 C GLU A 218 5.447 28.016 33.964 1.00 44.42 C ATOM 2072 O GLU A 218 4.971 27.086 34.597 1.00 52.06 O ATOM 2073 CB GLU A 218 7.479 28.883 35.072 1.00 46.86 C ATOM 2074 CG GLU A 218 6.694 30.145 35.423 1.00 49.86 C ATOM 2075 H GLU A 218 7.977 29.626 32.621 1.00 0.00 H TER 2076 GLU A 218 HETATM 2077 O HOH 1 0.710 34.524 10.484 1.00 33.07 O HETATM 2078 O HOH 2 -2.558 15.474 8.527 1.00 49.49 O HETATM 2079 O HOH 3 23.264 45.001 8.778 1.00 38.74 O HETATM 2080 O HOH 4 4.333 44.919 14.694 1.00 41.39 O HETATM 2081 O HOH 5 10.018 45.994 37.827 1.00 45.36 O HETATM 2082 O HOH 6 3.750 26.115 -7.582 1.00 55.09 O HETATM 2083 O HOH 7 26.020 26.703 -3.052 1.00 41.88 O HETATM 2084 O HOH 8 4.536 36.234 -3.110 1.00 37.48 O HETATM 2085 O HOH 9 20.434 26.122 -8.457 1.00 34.53 O HETATM 2086 O HOH 10 24.181 46.810 14.974 1.00 35.92 O HETATM 2087 O HOH 11 0.214 37.222 8.819 1.00 35.21 O HETATM 2088 O HOH 12 0.576 38.635 27.797 1.00 31.90 O HETATM 2089 O HOH 13 -0.397 31.177 -3.917 1.00 35.50 O HETATM 2090 O HOH 14 22.990 36.534 -1.037 1.00 37.66 O HETATM 2091 O HOH 15 9.458 41.689 1.283 1.00 31.90 O HETATM 2092 O HOH 16 21.156 47.060 8.509 1.00 38.30 O HETATM 2093 O HOH 17 -0.007 35.795 6.564 1.00 31.32 O HETATM 2094 O HOH 18 20.557 50.894 13.602 1.00 44.13 O HETATM 2095 O HOH 19 4.085 52.094 22.318 1.00 42.59 O HETATM 2096 O HOH 20 15.025 44.254 34.068 1.00 46.67 O HETATM 2097 O HOH 21 -0.587 23.903 6.555 1.00 51.14 O HETATM 2098 O HOH 22 -1.184 36.512 28.114 1.00 37.07 O HETATM 2099 O HOH 23 -5.904 34.451 21.679 1.00 27.74 O HETATM 2100 O HOH 24 19.341 36.374 2.790 1.00 41.51 O HETATM 2101 O HOH 25 6.036 44.557 10.783 1.00 37.90 O HETATM 2102 O HOH 26 24.231 34.033 -2.817 1.00 41.27 O HETATM 2103 O HOH 27 6.025 46.239 37.025 1.00 51.67 O HETATM 2104 O HOH 28 2.284 33.172 -4.146 1.00 54.82 O HETATM 2105 O HOH 29 1.600 22.452 7.498 1.00 39.06 O HETATM 2106 O HOH 30 1.556 43.625 21.342 1.00 28.84 O HETATM 2107 O HOH 31 1.445 44.533 17.910 1.00 51.67 O HETATM 2108 O HOH 32 16.700 36.995 -6.181 1.00 27.17 O HETATM 2109 O HOH 33 11.435 47.651 34.603 1.00 31.28 O HETATM 2110 O HOH 34 19.359 30.490 -6.369 1.00 26.34 O HETATM 2111 O HOH 35 19.242 36.889 5.914 1.00 48.06 O HETATM 2112 O HOH 36 3.219 21.375 -5.398 1.00 35.20 O HETATM 2113 O HOH 37 9.354 39.796 -0.903 1.00 33.13 O HETATM 2114 O HOH 38 3.804 41.227 34.160 1.00 51.80 O HETATM 2115 O HOH 39 17.048 39.010 6.321 1.00 40.06 O HETATM 2116 O HOH 40 3.358 43.941 33.893 1.00 42.83 O HETATM 2117 O HOH 41 13.350 48.912 33.582 1.00 51.79 O HETATM 2118 O HOH 42 -0.321 42.080 19.827 1.00 35.62 O HETATM 2119 O HOH 43 11.728 42.995 5.363 1.00 42.96 O HETATM 2120 O HOH 44 0.689 50.764 20.353 1.00 37.62 O HETATM 2121 O HOH 45 1.489 25.758 -3.839 1.00 38.29 O HETATM 2122 O HOH 46 -6.720 41.879 29.869 1.00 45.92 O HETATM 2123 O HOH 47 5.268 17.918 -6.749 1.00 52.40 O HETATM 2124 O HOH 48 0.572 14.637 -0.904 1.00 48.11 O HETATM 2125 O HOH 49 -8.607 33.877 25.682 1.00 43.30 O HETATM 2126 O HOH 50 -1.597 32.794 7.474 1.00 47.55 O HETATM 2127 O HOH 51 2.743 39.277 31.488 1.00 53.71 O HETATM 2128 O HOH 52 3.741 43.552 5.069 1.00 56.81 O HETATM 2129 O HOH 53 10.874 42.845 37.873 1.00 33.57 O HETATM 2130 O HOH 54 6.416 37.979 36.224 1.00 45.63 O HETATM 2131 O HOH 55 16.315 32.728 -9.213 1.00 39.97 O HETATM 2132 O HOH 56 -9.253 40.040 29.811 1.00 46.12 O HETATM 2133 O HOH 57 -2.286 36.443 30.533 1.00 43.92 O HETATM 2134 O HOH 58 8.278 37.988 -6.059 1.00 47.77 O HETATM 2135 O HOH 59 12.711 45.121 35.522 1.00 32.17 O HETATM 2136 O HOH 60 19.610 22.463 25.099 1.00 27.02 O HETATM 2137 O HOH 61 18.475 25.566 11.938 1.00 22.70 O HETATM 2138 O HOH 62 12.246 35.621 10.715 1.00 26.84 O HETATM 2139 O HOH 63 10.094 34.271 11.823 1.00 24.73 O HETATM 2140 O HOH 64 7.778 37.087 5.594 1.00 25.10 O HETATM 2141 O HOH 65 27.290 37.075 29.189 1.00 25.94 O HETATM 2142 O HOH 66 21.024 43.150 19.816 1.00 23.47 O HETATM 2143 O HOH 67 4.203 31.540 16.816 1.00 25.62 O HETATM 2144 O HOH 68 8.977 45.362 18.485 1.00 26.54 O HETATM 2145 O HOH 69 20.117 30.355 17.974 1.00 25.07 O HETATM 2146 O HOH 70 18.553 28.116 17.716 1.00 33.39 O HETATM 2147 O HOH 71 10.597 15.186 9.452 1.00 25.66 O HETATM 2148 O HOH 72 7.172 37.598 11.000 1.00 25.19 O HETATM 2149 O HOH 73 18.487 30.116 0.045 1.00 23.78 O HETATM 2150 O HOH 74 3.991 34.074 15.827 1.00 24.98 O HETATM 2151 O HOH 75 21.100 22.112 1.735 1.00 27.61 O HETATM 2152 O HOH 76 5.878 26.688 27.625 1.00 28.55 O HETATM 2153 O HOH 77 7.248 41.022 16.960 1.00 32.01 O HETATM 2154 O HOH 78 9.026 35.776 -2.487 1.00 30.82 O HETATM 2155 O HOH 79 17.442 13.857 10.006 1.00 31.18 O HETATM 2156 O HOH 80 15.394 18.688 4.494 1.00 26.42 O HETATM 2157 O HOH 81 8.598 34.773 14.156 1.00 27.94 O HETATM 2158 O HOH 82 12.210 30.551 -6.143 1.00 32.97 O HETATM 2159 O HOH 83 10.698 51.384 20.020 1.00 28.61 O HETATM 2160 O HOH 84 12.591 24.708 26.330 1.00 32.47 O HETATM 2161 O HOH 85 8.225 29.532 -6.090 1.00 33.72 O HETATM 2162 O HOH 86 14.499 23.106 4.069 1.00 28.49 O HETATM 2163 O HOH 87 18.660 29.195 30.883 1.00 33.49 O HETATM 2164 O HOH 88 17.675 27.058 29.466 1.00 29.95 O HETATM 2165 O HOH 89 23.283 34.440 31.225 1.00 33.03 O HETATM 2166 O HOH 90 19.481 25.736 27.763 1.00 34.91 O HETATM 2167 O HOH 91 9.651 14.889 0.029 1.00 27.64 O HETATM 2168 O HOH 92 10.110 20.617 -4.095 1.00 34.43 O HETATM 2169 O HOH 93 4.488 34.882 30.980 1.00 35.60 O HETATM 2170 O HOH 94 21.605 22.085 17.111 1.00 31.99 O HETATM 2171 O HOH 95 16.811 18.569 15.633 1.00 31.50 O HETATM 2172 O HOH 96 6.933 27.632 20.530 1.00 25.49 O HETATM 2173 O HOH 97 22.852 15.954 9.271 1.00 35.82 O HETATM 2174 O HOH 98 10.481 17.683 -0.292 1.00 28.17 O HETATM 2175 O HOH 99 -2.551 31.837 14.722 1.00 31.78 O HETATM 2176 O HOH 100 4.979 23.616 24.928 1.00 40.83 O HETATM 2177 O HOH 101 11.184 13.992 1.958 1.00 33.92 O HETATM 2178 O HOH 102 0.818 34.954 22.609 1.00 28.48 O HETATM 2179 O HOH 103 11.322 42.116 34.208 1.00 31.16 O HETATM 2180 O HOH 104 6.966 36.834 13.916 1.00 33.06 O HETATM 2181 O HOH 105 11.405 35.680 31.893 1.00 28.74 O HETATM 2182 O HOH 106 8.058 12.214 8.520 1.00 37.92 O HETATM 2183 O HOH 107 4.751 13.734 8.064 1.00 36.76 O HETATM 2184 O HOH 108 16.445 44.893 29.800 1.00 31.50 O HETATM 2185 O HOH 109 4.989 20.280 -4.083 1.00 32.25 O HETATM 2186 O HOH 110 23.107 17.260 5.329 1.00 35.53 O HETATM 2187 O HOH 111 28.473 27.190 9.152 1.00 33.73 O HETATM 2188 O HOH 112 21.146 47.207 19.331 1.00 32.85 O HETATM 2189 O HOH 113 12.906 17.255 -4.090 1.00 43.52 O HETATM 2190 O HOH 114 -1.843 18.407 13.622 1.00 34.18 O HETATM 2191 O HOH 115 17.745 14.792 7.502 1.00 38.21 O HETATM 2192 O HOH 116 24.227 43.269 26.492 1.00 36.38 O HETATM 2193 O HOH 117 6.147 38.635 16.080 1.00 30.63 O HETATM 2194 O HOH 118 16.417 22.648 28.438 1.00 42.52 O HETATM 2195 O HOH 119 21.570 20.299 21.943 1.00 32.39 O HETATM 2196 O HOH 120 -1.769 21.229 13.459 1.00 38.71 O HETATM 2197 O HOH 121 21.374 49.261 20.951 1.00 41.25 O HETATM 2198 O HOH 122 5.400 42.782 2.683 1.00 40.06 O HETATM 2199 O HOH 123 18.188 21.278 27.287 1.00 50.23 O HETATM 2200 O HOH 124 30.446 24.348 5.995 1.00 33.52 O HETATM 2201 O HOH 125 21.233 21.610 -1.002 1.00 44.89 O HETATM 2202 O HOH 126 18.260 42.421 32.125 1.00 43.37 O HETATM 2203 O HOH 127 25.912 27.078 10.050 1.00 35.05 O HETATM 2204 O HOH 128 9.821 47.802 9.621 1.00 45.84 O HETATM 2205 O HOH 129 3.753 11.205 10.940 1.00 35.19 O HETATM 2206 O HOH 130 13.996 49.512 7.122 1.00 38.25 O HETATM 2207 O HOH 131 11.867 16.424 19.928 1.00 36.37 O HETATM 2208 O HOH 132 25.115 24.342 10.118 1.00 37.20 O HETATM 2209 O HOH 133 17.219 13.425 4.979 1.00 36.21 O HETATM 2210 O HOH 134 25.431 44.718 20.439 1.00 32.93 O HETATM 2211 O HOH 135 9.111 26.221 -4.845 1.00 48.18 O HETATM 2212 O HOH 136 10.781 12.544 10.358 1.00 35.42 O HETATM 2213 O HOH 137 7.922 50.127 36.054 1.00 46.09 O HETATM 2214 O HOH 138 11.644 24.712 -5.507 1.00 40.98 O HETATM 2215 O HOH 139 20.969 50.595 25.818 1.00 43.19 O HETATM 2216 O HOH 140 5.900 47.109 16.095 1.00 30.70 O HETATM 2217 O HOH 141 23.647 46.348 19.146 1.00 39.25 O HETATM 2218 O HOH 142 -2.513 36.101 14.068 1.00 40.26 O HETATM 2219 O HOH 143 7.217 43.656 15.605 1.00 38.88 O HETATM 2220 O HOH 144 10.846 28.196 -5.526 1.00 43.60 O HETATM 2221 O HOH 145 17.765 18.647 23.161 1.00 43.92 O HETATM 2222 O HOH 146 -5.440 32.898 19.048 1.00 37.53 O HETATM 2223 O HOH 147 8.440 31.783 32.645 1.00 34.84 O HETATM 2224 O HOH 148 17.810 55.306 21.474 1.00 41.22 O HETATM 2225 O HOH 149 25.975 29.396 11.731 1.00 47.62 O HETATM 2226 O HOH 150 9.952 17.324 21.709 1.00 46.23 O HETATM 2227 O HOH 151 8.962 51.430 25.749 1.00 50.80 O HETATM 2228 O HOH 152 23.175 43.364 29.094 1.00 49.77 O HETATM 2229 O HOH 153 11.402 49.101 7.711 1.00 51.23 O HETATM 2230 O HOH 154 22.655 28.256 24.045 1.00 45.21 O HETATM 2231 O HOH 155 6.629 45.004 13.438 1.00 47.46 O HETATM 2232 O HOH 156 0.514 19.168 17.308 1.00 41.74 O HETATM 2233 O HOH 157 11.584 34.621 34.370 1.00 47.14 O HETATM 2234 O HOH 158 3.651 48.292 17.676 1.00 48.23 O HETATM 2235 O HOH 159 16.245 35.601 36.072 1.00 41.69 O HETATM 2236 O HOH 160 25.635 20.427 1.759 1.00 42.52 O HETATM 2237 O HOH 161 7.434 10.401 12.580 1.00 39.27 O HETATM 2238 O HOH 162 20.286 41.237 31.136 1.00 48.14 O HETATM 2239 O HOH 163 13.513 22.754 -7.019 1.00 43.34 O HETATM 2240 O HOH 164 23.385 47.477 24.911 1.00 46.97 O HETATM 2241 O HOH 165 14.703 26.640 -6.061 1.00 42.32 O HETATM 2242 O HOH 166 20.229 15.276 8.177 1.00 41.24 O HETATM 2243 O HOH 167 16.922 27.074 -8.133 1.00 48.50 O HETATM 2244 O HOH 168 13.506 12.046 9.344 1.00 44.30 O HETATM 2245 O HOH 169 11.611 20.264 -6.399 1.00 53.58 O HETATM 2246 O HOH 170 11.833 54.618 19.848 1.00 50.86 O HETATM 2247 O HOH 171 -1.609 38.246 16.064 1.00 45.14 O HETATM 2248 O HOH 172 19.810 19.131 0.993 1.00 41.53 O HETATM 2249 O HOH 173 8.401 10.969 6.850 1.00 39.41 O HETATM 2250 O HOH 174 12.340 18.426 22.864 1.00 46.74 O HETATM 2251 O HOH 175 17.346 18.573 25.944 1.00 49.06 O HETATM 2252 O HOH 176 14.008 31.171 -8.662 1.00 48.17 O HETATM 2253 O HOH 177 2.099 14.087 18.833 1.00 48.79 O HETATM 2254 O HOH 178 24.936 34.831 9.498 1.00 49.54 O HETATM 2255 O HOH 179 4.357 37.605 31.787 1.00 44.84 O HETATM 2256 O HOH 180 8.137 15.156 22.369 1.00 48.14 O HETATM 2257 O HOH 181 22.744 37.664 33.868 1.00 51.38 O HETATM 2258 O HOH 182 27.274 22.400 1.582 1.00 54.10 O HETATM 2259 O HOH 183 30.155 40.522 23.271 1.00 38.90 O HETATM 2260 O HOH 184 11.016 20.540 26.442 1.00 49.66 O HETATM 2261 O HOH 185 18.191 14.860 -0.211 1.00 50.19 O HETATM 2262 O HOH 186 14.676 29.903 34.840 1.00 41.77 O HETATM 2263 O HOH 187 15.004 15.856 -4.396 1.00 52.06 O HETATM 2264 O HOH 188 -0.632 40.331 17.422 1.00 49.41 O HETATM 2265 O HOH 189 13.330 13.517 21.284 1.00 55.26 O HETATM 2266 O HOH 190 10.186 11.216 12.226 1.00 48.64 O HETATM 2267 O HOH 191 -1.603 11.779 11.242 1.00 49.03 O HETATM 2268 O HOH 192 -7.585 31.281 18.630 1.00 53.74 O HETATM 2269 O HOH 193 26.150 30.074 14.265 1.00 51.10 O HETATM 2270 O HOH 194 -1.764 18.001 16.318 1.00 58.79 O HETATM 2271 O HOH 195 15.577 28.775 -9.487 1.00 45.88 O HETATM 2272 O HOH 196 16.077 12.263 1.338 1.00 56.39 O HETATM 2273 O HOH 197 11.535 19.004 -2.322 1.00 29.61 O HETATM 2274 O HOH 198 19.098 45.287 29.782 1.00 51.31 O HETATM 2275 O HOH 199 -3.223 11.037 9.176 1.00 55.47 O HETATM 2276 O HOH 200 -7.690 28.796 17.011 1.00 59.17 O HETATM 2277 O HOH 201 21.123 24.846 25.940 1.00 37.00 O HETATM 2278 O HOH 202 21.386 12.419 17.302 1.00 34.52 O HETATM 2279 O HOH 203 11.009 13.273 -3.568 1.00 51.41 O HETATM 2280 O HOH 204 6.279 23.926 28.797 1.00 44.98 O HETATM 2281 O HOH 205 28.882 39.387 13.195 1.00 50.31 O HETATM 2282 O HOH 206 21.063 37.281 12.204 1.00 42.17 O HETATM 2283 O HOH 207 22.181 18.590 1.624 1.00 48.69 O HETATM 2284 O HOH 208 22.348 37.898 10.168 1.00 54.42 O HETATM 2285 C4 UNN A 209 25.422 37.376 13.772 1.00 -0.04 C HETATM 2286 C2 UNN A 209 25.882 38.323 14.654 1.00 -0.06 C HETATM 2287 C1 UNN A 209 25.872 38.063 16.004 1.00 -0.06 C HETATM 2288 C3 UNN A 209 25.389 36.857 16.454 1.00 -0.06 C HETATM 2289 C5 UNN A 209 24.928 35.908 15.574 1.00 -0.04 C HETATM 2290 C9 UNN A 209 24.948 36.176 14.235 1.00 0.05 C HETATM 2291 C13 UNN A 209 24.468 35.181 13.272 1.00 0.21 C HETATM 2292 N27 UNN A 209 23.379 34.467 13.666 1.00 -0.27 N HETATM 2293 C22 UNN A 209 22.965 33.428 12.761 1.00 0.07 C HETATM 2294 C17 UNN A 209 21.948 33.972 11.794 1.00 -0.02 C HETATM 2295 C16 UNN A 209 20.625 34.158 12.482 1.00 -0.04 C HETATM 2296 C15 UNN A 209 20.066 32.798 12.780 1.00 -0.03 C HETATM 2297 C10 UNN A 209 21.064 31.963 13.491 1.00 -0.05 C HETATM 2298 C6 UNN A 209 20.619 30.860 14.181 1.00 -0.08 C HETATM 2299 C7 UNN A 209 21.493 30.052 14.870 1.00 -0.05 C HETATM 2300 C12 UNN A 209 22.833 30.349 14.858 1.00 0.05 C HETATM 2301 C8 UNN A 209 23.289 31.445 14.165 1.00 -0.04 C HETATM 2302 C11 UNN A 209 22.413 32.256 13.483 1.00 -0.03 C HETATM 2303 H UNN A 209 24.349 31.672 14.156 1.00 0.04 H HETATM 2304 N26 UNN A 209 23.746 29.544 15.547 1.00 -0.22 N HETATM 2305 C14 UNN A 209 23.465 29.049 16.806 1.00 0.29 C HETATM 2306 N24 UNN A 209 24.574 28.497 17.409 1.00 -0.24 N HETATM 2307 C18 UNN A 209 25.741 28.122 16.654 1.00 0.07 C HETATM 2308 C20 UNN A 209 26.408 26.927 17.295 1.00 -0.01 C HETATM 2309 N25 UNN A 209 26.662 27.185 18.700 1.00 0.24 N HETATM 2310 C21 UNN A 209 25.360 27.229 19.335 1.00 -0.01 C HETATM 2311 C19 UNN A 209 24.682 28.496 18.856 1.00 0.07 C HETATM 2312 H UNN A 209 25.274 29.366 19.176 1.00 0.06 H HETATM 2313 H UNN A 209 23.675 28.556 19.294 1.00 0.06 H HETATM 2314 H UNN A 209 24.767 26.349 19.044 1.00 0.08 H HETATM 2315 H UNN A 209 25.473 27.250 20.429 1.00 0.08 H HETATM 2316 C23 UNN A 209 27.388 26.056 19.271 1.00 -0.04 C HETATM 2317 H UNN A 209 28.385 25.991 18.811 1.00 0.08 H HETATM 2318 H UNN A 209 26.833 25.127 19.076 1.00 0.08 H HETATM 2319 H UNN A 209 27.494 26.199 20.357 1.00 0.08 H HETATM 2320 H UNN A 209 27.170 28.046 18.830 1.00 0.20 H HETATM 2321 H UNN A 209 27.362 26.727 16.785 1.00 0.08 H HETATM 2322 H UNN A 209 25.750 26.050 17.200 1.00 0.08 H HETATM 2323 H UNN A 209 25.443 27.866 15.627 1.00 0.06 H HETATM 2324 H UNN A 209 26.447 28.965 16.632 1.00 0.06 H HETATM 2325 O29 UNN A 209 22.367 29.062 17.353 1.00 -0.39 O HETATM 2326 H UNN A 209 24.622 29.322 15.119 1.00 0.22 H HETATM 2327 H UNN A 209 21.128 29.190 15.416 1.00 0.04 H HETATM 2328 H UNN A 209 19.561 30.623 14.182 1.00 0.05 H HETATM 2329 H UNN A 209 19.171 32.906 13.411 1.00 0.04 H HETATM 2330 H UNN A 209 19.791 32.306 11.835 1.00 0.04 H HETATM 2331 H UNN A 209 20.766 34.718 13.418 1.00 0.03 H HETATM 2332 H UNN A 209 19.936 34.710 11.825 1.00 0.03 H HETATM 2333 H UNN A 209 21.827 33.267 10.959 1.00 0.03 H HETATM 2334 H UNN A 209 22.296 34.941 11.408 1.00 0.03 H HETATM 2335 H UNN A 209 23.846 33.096 12.192 1.00 0.07 H HETATM 2336 H UNN A 209 22.900 34.651 14.524 1.00 0.19 H HETATM 2337 O28 UNN A 209 25.040 35.025 12.194 1.00 -0.38 O HETATM 2338 H UNN A 209 24.553 34.958 15.938 1.00 0.07 H HETATM 2339 H UNN A 209 25.372 36.652 17.518 1.00 0.06 H HETATM 2340 H UNN A 209 26.241 38.801 16.706 1.00 0.07 H HETATM 2341 H UNN A 209 26.252 39.273 14.287 1.00 0.06 H HETATM 2342 H UNN A 209 25.434 37.578 12.707 1.00 0.07 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 222 221 614 CONECT 519 518 921 CONECT 614 222 613 CONECT 921 519 920 CONECT 1497 1496 1972 CONECT 1972 1497 1971 CONECT 2285 2286 2290 2342 CONECT 2286 2285 2287 2341 CONECT 2287 2286 2288 2340 CONECT 2288 2287 2289 2339 CONECT 2289 2288 2290 2338 CONECT 2290 2285 2289 2291 CONECT 2291 2290 2292 2337 CONECT 2292 2291 2293 2336 CONECT 2293 2292 2294 2302 2335 CONECT 2294 2293 2295 2333 2334 CONECT 2295 2294 2296 2331 2332 CONECT 2296 2295 2297 2329 2330 CONECT 2297 2296 2298 2302 CONECT 2298 2297 2299 2328 CONECT 2299 2298 2300 2327 CONECT 2300 2299 2301 2304 CONECT 2301 2300 2302 2303 CONECT 2302 2293 2297 2301 CONECT 2303 2301 CONECT 2304 2300 2305 2326 CONECT 2305 2304 2306 2325 CONECT 2306 2305 2307 2311 CONECT 2307 2306 2308 2323 2324 CONECT 2308 2307 2309 2321 2322 CONECT 2309 2308 2310 2316 2320 CONECT 2310 2309 2311 2314 2315 CONECT 2311 2306 2310 2312 2313 CONECT 2312 2311 CONECT 2313 2311 CONECT 2314 2310 CONECT 2315 2310 CONECT 2316 2309 2317 2318 2319 CONECT 2317 2316 CONECT 2318 2316 CONECT 2319 2316 CONECT 2320 2309 CONECT 2321 2308 CONECT 2322 2308 CONECT 2323 2307 CONECT 2324 2307 CONECT 2325 2305 CONECT 2326 2304 CONECT 2327 2299 CONECT 2328 2298 CONECT 2329 2296 CONECT 2330 2296 CONECT 2331 2295 CONECT 2332 2295 CONECT 2333 2294 CONECT 2334 2294 CONECT 2335 2293 CONECT 2336 2292 CONECT 2337 2291 CONECT 2338 2289 CONECT 2339 2288 CONECT 2340 2287 CONECT 2341 2286 CONECT 2342 2285 MASTER 0 0 0 0 0 0 0 0 2341 1 68 17 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4p6e
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1ms6
RCSB PDB
PDBbind
222aa, >1MS6_1|Chain... at 99%
1npz
RCSB PDB
PDBbind
217aa, >1NPZ_1|Chains... at 99%
1nqc
RCSB PDB
PDBbind
217aa, >1NQC_1|Chain... at 99%
2f1g
RCSB PDB
PDBbind
220aa, >2F1G_1|Chains... at 100%
2hh5
RCSB PDB
PDBbind
220aa, >2HH5_1|Chains... at 100%
2hhn
RCSB PDB
PDBbind
220aa, >2HHN_1|Chains... at 100%
2op3
RCSB PDB
PDBbind
220aa, >2OP3_1|Chains... at 100%
2r9m
RCSB PDB
PDBbind
222aa, >2R9M_1|Chains... at 99%
3iej
RCSB PDB
PDBbind
222aa, >3IEJ_1|Chains... at 97%
3n3g
RCSB PDB
PDBbind
217aa, >3N3G_1|Chains... at 100%
3n4c
RCSB PDB
PDBbind
217aa, >3N4C_1|Chains... at 100%
3ovx
RCSB PDB
PDBbind
218aa, >3OVX_1|Chains... at 100%
4p6g
RCSB PDB
PDBbind
226aa, >4P6G_1|Chains... at 99%
5qbv
RCSB PDB
PDBbind
223aa, >5QBV_1|Chains... at 97%
5qby
RCSB PDB
PDBbind
223aa, >5QBY_1|Chains... at 97%
5qc4
RCSB PDB
PDBbind
223aa, >5QC4_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4p6e
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Cathepsin S Cat S
Ligand Name
2FC
EC.Number
E.C.3.4.22.27
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
IC50=1290nM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Med.Chem.Lett. Vol. 5: pp. 1138-1142
Ligand Properties
Formula
C
2
3
H
2
9
N
4
O
2
Molecular Weight
393.502
Exact Mass
393.229
No. of atoms
58
No. of bonds
61
Polar Surface Area
65.88
LOGP Value
2.48 (
Computed with XLOGP3
)
3.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
C[N@@H+]1CCN(CC1)C(=O)Nc1ccc2c(c1)[C@@H](CCC2)NC(=O)c1ccccc1
InChI String
InChI=1S/C23H28N4O2/c1-26-12-14-27(15-13-26)23(29)24-19-11-10-17-8-5-9-21(20(17)16-19)25-22(28)18-6-3-2-4-7-18/h2-4,6-7,10-11,16,21H,5,8-9,12-15H2,1H3,(H,24,29)(H,25,28)/p+1/t21-/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):
P25774
Entrez Gene ID
NCBI Entrez Gene ID:
1520
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓