Browse entries in the PDBbind-CN Database
HEADER 2FCI_COMPLEX COMPND 2FCI_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 GLY SER PRO GLY ILE HIS GLU SER LYS GLU TRP TYR HIS SEQRES 2 A 105 ALA SER LEU THR ARG ALA GLN ALA GLU HIS MET LEU MET SEQRES 3 A 105 ARG VAL PRO ARG ASP GLY ALA PHE LEU VAL ARG LYS ARG SEQRES 4 A 105 ASN GLU PRO ASN SER TYR ALA ILE SER PHE ARG ALA GLU SEQRES 5 A 105 GLY LYS ILE LYS HIS CYS ARG VAL GLN GLN GLU GLY GLN SEQRES 6 A 105 THR VAL MET LEU GLY ASN SER GLU PHE ASP SER LEU VAL SEQRES 7 A 105 ASP LEU ILE SER TYR TYR GLU LYS HIS PRO LEU TYR ARG SEQRES 8 A 105 LYS MET LYS LEU ARG TYR PRO ILE ASN GLU GLU ASN SER SEQRES 9 A 105 SER HET ACE A 106 205 ATOM 1 N GLY A 1 -12.554 4.979 10.038 1.00 6.76 N ATOM 2 CA GLY A 1 -13.146 4.744 11.397 1.00 6.13 C ATOM 3 C GLY A 1 -12.446 3.529 12.005 1.00 5.20 C ATOM 4 O GLY A 1 -11.245 3.529 12.113 1.00 5.44 O ATOM 5 HA3 GLY A 1 -14.215 4.551 11.308 1.00 0.00 H ATOM 6 HA2 GLY A 1 -12.987 5.619 12.028 1.00 0.00 H ATOM 7 HN3 GLY A 1 -12.707 4.139 9.445 1.00 0.00 H ATOM 8 HN2 GLY A 1 -11.534 5.158 10.132 1.00 0.00 H ATOM 9 HN1 GLY A 1 -13.013 5.803 9.599 1.00 0.00 H ATOM 10 N SER A 2 -13.169 2.490 12.378 1.00 4.45 N ATOM 11 CA SER A 2 -12.487 1.267 12.953 1.00 3.82 C ATOM 12 C SER A 2 -11.328 0.838 12.021 1.00 2.81 C ATOM 13 O SER A 2 -10.198 0.747 12.469 1.00 2.94 O ATOM 14 CB SER A 2 -13.572 0.184 13.050 1.00 4.13 C ATOM 15 OG SER A 2 -14.476 0.514 14.100 1.00 4.45 O ATOM 16 HA SER A 2 -12.051 1.453 13.935 1.00 0.00 H ATOM 17 HB2 SER A 2 -13.107 -0.779 13.259 1.00 0.00 H ATOM 18 HB3 SER A 2 -14.115 0.127 12.107 1.00 0.00 H ATOM 19 HG SER A 2 -15.176 -0.184 14.163 1.00 0.00 H ATOM 20 H SER A 2 -14.204 2.511 12.277 1.00 0.00 H ATOM 21 N PRO A 3 -11.629 0.666 10.733 1.00 2.39 N ATOM 22 CA PRO A 3 -10.565 0.352 9.750 1.00 2.07 C ATOM 23 C PRO A 3 -9.848 1.699 9.459 1.00 1.53 C ATOM 24 O PRO A 3 -9.343 2.327 10.366 1.00 2.01 O ATOM 25 CB PRO A 3 -11.333 -0.205 8.538 1.00 2.89 C ATOM 26 CG PRO A 3 -12.702 0.384 8.634 1.00 3.31 C ATOM 27 CD PRO A 3 -12.957 0.715 10.092 1.00 3.09 C ATOM 28 HA PRO A 3 -9.808 -0.367 10.062 1.00 0.00 H ATOM 29 HD3 PRO A 3 -13.393 1.709 10.189 1.00 0.00 H ATOM 30 HD2 PRO A 3 -13.626 -0.019 10.540 1.00 0.00 H ATOM 31 HG3 PRO A 3 -13.442 -0.334 8.281 1.00 0.00 H ATOM 32 HG2 PRO A 3 -12.760 1.290 8.031 1.00 0.00 H ATOM 33 HB2 PRO A 3 -10.851 0.098 7.608 1.00 0.00 H ATOM 34 HB3 PRO A 3 -11.381 -1.293 8.583 1.00 0.00 H ATOM 35 N GLY A 4 -9.814 2.181 8.240 1.00 1.36 N ATOM 36 CA GLY A 4 -9.142 3.509 8.010 1.00 1.08 C ATOM 37 C GLY A 4 -10.028 4.432 7.175 1.00 1.02 C ATOM 38 O GLY A 4 -10.959 5.036 7.684 1.00 1.19 O ATOM 39 HA3 GLY A 4 -8.201 3.347 7.485 1.00 0.00 H ATOM 40 HA2 GLY A 4 -8.943 3.980 8.973 1.00 0.00 H ATOM 41 H GLY A 4 -10.242 1.658 7.449 1.00 0.00 H ATOM 42 N ILE A 5 -9.730 4.546 5.905 1.00 0.89 N ATOM 43 CA ILE A 5 -10.515 5.428 4.974 1.00 1.02 C ATOM 44 C ILE A 5 -10.357 6.924 5.337 1.00 1.16 C ATOM 45 O ILE A 5 -10.091 7.738 4.474 1.00 1.34 O ATOM 46 CB ILE A 5 -11.967 4.920 5.054 1.00 1.19 C ATOM 47 CG1 ILE A 5 -12.082 3.643 4.207 1.00 1.17 C ATOM 48 CG2 ILE A 5 -12.941 5.968 4.508 1.00 1.49 C ATOM 49 CD1 ILE A 5 -11.347 2.490 4.902 1.00 1.02 C ATOM 50 HA ILE A 5 -10.154 5.371 3.947 1.00 0.00 H ATOM 51 HB ILE A 5 -12.219 4.721 6.096 1.00 0.00 H ATOM 52 HG12 ILE A 5 -13.133 3.382 4.087 1.00 0.00 H ATOM 53 HG13 ILE A 5 -11.638 3.817 3.227 1.00 0.00 H ATOM 54 HD11 ILE A 5 -10.295 2.751 5.021 1.00 0.00 H ATOM 55 HD12 ILE A 5 -11.792 2.315 5.881 1.00 0.00 H ATOM 56 HD13 ILE A 5 -11.433 1.588 4.296 1.00 0.00 H ATOM 57 HG21 ILE A 5 -12.855 6.882 5.095 1.00 0.00 H ATOM 58 HG22 ILE A 5 -12.699 6.179 3.466 1.00 0.00 H ATOM 59 HG23 ILE A 5 -13.959 5.586 4.575 1.00 0.00 H ATOM 60 H ILE A 5 -8.923 4.009 5.528 1.00 0.00 H ATOM 61 N HIS A 6 -10.487 7.298 6.590 1.00 1.22 N ATOM 62 CA HIS A 6 -10.298 8.741 6.970 1.00 1.46 C ATOM 63 C HIS A 6 -9.037 8.867 7.845 1.00 1.39 C ATOM 64 O HIS A 6 -8.078 9.514 7.472 1.00 1.50 O ATOM 65 CB HIS A 6 -11.562 9.145 7.751 1.00 1.74 C ATOM 66 CG HIS A 6 -12.569 9.784 6.822 1.00 2.17 C ATOM 67 ND1 HIS A 6 -12.773 9.336 5.525 1.00 2.79 N ATOM 68 CD2 HIS A 6 -13.449 10.827 6.998 1.00 2.40 C ATOM 69 CE1 HIS A 6 -13.743 10.094 4.978 1.00 3.25 C ATOM 70 NE2 HIS A 6 -14.189 11.018 5.832 1.00 2.98 N ATOM 71 HA HIS A 6 -10.164 9.389 6.104 1.00 0.00 H ATOM 72 HB2 HIS A 6 -12.003 8.258 8.206 1.00 0.00 H ATOM 73 HB3 HIS A 6 -11.291 9.855 8.532 1.00 0.00 H ATOM 74 HD2 HIS A 6 -13.552 11.415 7.910 1.00 0.00 H ATOM 75 HE1 HIS A 6 -14.118 9.968 3.962 1.00 0.00 H ATOM 76 H HIS A 6 -10.721 6.595 7.320 1.00 0.00 H ATOM 77 N GLU A 7 -9.029 8.233 9.002 1.00 1.33 N ATOM 78 CA GLU A 7 -7.819 8.293 9.898 1.00 1.36 C ATOM 79 C GLU A 7 -6.631 7.546 9.260 1.00 1.24 C ATOM 80 O GLU A 7 -5.512 7.656 9.722 1.00 1.33 O ATOM 81 CB GLU A 7 -8.230 7.608 11.216 1.00 1.47 C ATOM 82 CG GLU A 7 -7.308 8.078 12.365 1.00 1.61 C ATOM 83 CD GLU A 7 -6.353 6.955 12.776 1.00 1.97 C ATOM 84 OE1 GLU A 7 -6.833 5.860 13.030 1.00 2.64 O ATOM 85 OE2 GLU A 7 -5.155 7.203 12.818 1.00 2.27 O ATOM 86 HA GLU A 7 -7.501 9.323 10.061 1.00 0.00 H ATOM 87 HB2 GLU A 7 -9.262 7.867 11.452 1.00 0.00 H ATOM 88 HB3 GLU A 7 -8.145 6.527 11.103 1.00 0.00 H ATOM 89 HG2 GLU A 7 -6.728 8.939 12.032 1.00 0.00 H ATOM 90 HG3 GLU A 7 -7.918 8.363 13.222 1.00 0.00 H ATOM 91 H GLU A 7 -9.864 7.688 9.298 1.00 0.00 H ATOM 92 N SER A 8 -6.853 6.780 8.205 1.00 1.24 N ATOM 93 CA SER A 8 -5.710 6.045 7.576 1.00 1.32 C ATOM 94 C SER A 8 -4.867 6.992 6.704 1.00 1.27 C ATOM 95 O SER A 8 -4.788 8.178 6.975 1.00 1.56 O ATOM 96 CB SER A 8 -6.328 4.893 6.773 1.00 1.53 C ATOM 97 OG SER A 8 -6.935 5.382 5.586 1.00 1.78 O ATOM 98 HA SER A 8 -5.021 5.649 8.322 1.00 0.00 H ATOM 99 HB2 SER A 8 -7.082 4.395 7.382 1.00 0.00 H ATOM 100 HB3 SER A 8 -5.547 4.180 6.509 1.00 0.00 H ATOM 101 HG SER A 8 -7.328 4.626 5.082 1.00 0.00 H ATOM 102 H SER A 8 -7.813 6.689 7.816 1.00 0.00 H ATOM 103 N LYS A 9 -4.193 6.493 5.694 1.00 1.12 N ATOM 104 CA LYS A 9 -3.325 7.408 4.883 1.00 1.30 C ATOM 105 C LYS A 9 -3.149 6.971 3.410 1.00 1.24 C ATOM 106 O LYS A 9 -3.127 7.809 2.516 1.00 2.06 O ATOM 107 CB LYS A 9 -1.978 7.350 5.600 1.00 1.68 C ATOM 108 CG LYS A 9 -0.900 8.081 4.769 1.00 1.99 C ATOM 109 CD LYS A 9 -1.325 9.546 4.568 1.00 2.35 C ATOM 110 CE LYS A 9 -0.646 10.185 3.334 1.00 3.36 C ATOM 111 NZ LYS A 9 -1.104 9.430 2.116 1.00 4.00 N ATOM 112 HA LYS A 9 -3.770 8.401 4.821 1.00 0.00 H ATOM 113 HB2 LYS A 9 -2.068 7.829 6.575 1.00 0.00 H ATOM 114 HB3 LYS A 9 -1.685 6.309 5.734 1.00 0.00 H ATOM 115 HG2 LYS A 9 0.053 8.046 5.296 1.00 0.00 H ATOM 116 HG3 LYS A 9 -0.795 7.595 3.799 1.00 0.00 H ATOM 117 HD2 LYS A 9 -2.406 9.583 4.433 1.00 0.00 H ATOM 118 HD3 LYS A 9 -1.051 10.117 5.455 1.00 0.00 H ATOM 119 HE2 LYS A 9 0.438 10.115 3.429 1.00 0.00 H ATOM 120 HE3 LYS A 9 -0.935 11.233 3.252 1.00 0.00 H ATOM 121 HZ1 LYS A 9 -0.828 8.431 2.204 1.00 0.00 H ATOM 122 HZ2 LYS A 9 -2.139 9.499 2.036 1.00 0.00 H ATOM 123 HZ3 LYS A 9 -0.661 9.840 1.269 1.00 0.00 H ATOM 124 H LYS A 9 -4.260 5.482 5.461 1.00 0.00 H ATOM 125 N GLU A 10 -2.974 5.699 3.134 1.00 0.93 N ATOM 126 CA GLU A 10 -2.756 5.290 1.704 1.00 0.94 C ATOM 127 C GLU A 10 -4.074 5.052 0.967 1.00 0.94 C ATOM 128 O GLU A 10 -4.294 4.021 0.361 1.00 1.16 O ATOM 129 CB GLU A 10 -1.893 4.028 1.740 1.00 1.10 C ATOM 130 CG GLU A 10 -0.573 4.296 0.998 1.00 1.21 C ATOM 131 CD GLU A 10 -0.035 5.679 1.376 1.00 2.19 C ATOM 132 OE1 GLU A 10 0.192 5.902 2.556 1.00 2.84 O ATOM 133 OE2 GLU A 10 0.118 6.496 0.483 1.00 2.87 O ATOM 134 HA GLU A 10 -2.258 6.086 1.150 1.00 0.00 H ATOM 135 HB2 GLU A 10 -1.682 3.760 2.775 1.00 0.00 H ATOM 136 HB3 GLU A 10 -2.424 3.209 1.255 1.00 0.00 H ATOM 137 HG2 GLU A 10 0.158 3.536 1.274 1.00 0.00 H ATOM 138 HG3 GLU A 10 -0.748 4.257 -0.077 1.00 0.00 H ATOM 139 H GLU A 10 -2.986 4.987 3.892 1.00 0.00 H ATOM 140 N TRP A 11 -4.923 6.035 0.971 1.00 0.89 N ATOM 141 CA TRP A 11 -6.207 5.933 0.225 1.00 1.17 C ATOM 142 C TRP A 11 -6.073 6.726 -1.096 1.00 1.25 C ATOM 143 O TRP A 11 -7.040 7.008 -1.776 1.00 1.69 O ATOM 144 CB TRP A 11 -7.256 6.546 1.169 1.00 1.41 C ATOM 145 CG TRP A 11 -6.896 7.954 1.543 1.00 1.53 C ATOM 146 CD1 TRP A 11 -6.311 8.323 2.709 1.00 2.02 C ATOM 147 CD2 TRP A 11 -7.101 9.181 0.784 1.00 1.74 C ATOM 148 NE1 TRP A 11 -6.148 9.699 2.712 1.00 2.50 N ATOM 149 CE2 TRP A 11 -6.617 10.271 1.545 1.00 2.34 C ATOM 150 CE3 TRP A 11 -7.650 9.451 -0.482 1.00 1.81 C ATOM 151 CZ2 TRP A 11 -6.687 11.581 1.068 1.00 2.82 C ATOM 152 CZ3 TRP A 11 -7.719 10.764 -0.965 1.00 2.30 C ATOM 153 CH2 TRP A 11 -7.236 11.828 -0.192 1.00 2.75 C ATOM 154 HA TRP A 11 -6.485 4.914 -0.046 1.00 0.00 H ATOM 155 HB2 TRP A 11 -8.225 6.547 0.670 1.00 0.00 H ATOM 156 HB3 TRP A 11 -7.316 5.942 2.074 1.00 0.00 H ATOM 157 HE1 TRP A 11 -5.725 10.235 3.496 1.00 0.00 H ATOM 158 HD1 TRP A 11 -6.017 7.648 3.513 1.00 0.00 H ATOM 159 HZ2 TRP A 11 -6.315 12.406 1.675 1.00 0.00 H ATOM 160 HH2 TRP A 11 -7.289 12.848 -0.574 1.00 0.00 H ATOM 161 HZ3 TRP A 11 -8.150 10.959 -1.947 1.00 0.00 H ATOM 162 HE3 TRP A 11 -8.026 8.631 -1.094 1.00 0.00 H ATOM 163 H TRP A 11 -4.703 6.902 1.501 1.00 0.00 H ATOM 164 N TYR A 12 -4.852 7.085 -1.445 1.00 1.10 N ATOM 165 CA TYR A 12 -4.577 7.875 -2.689 1.00 1.34 C ATOM 166 C TYR A 12 -4.458 6.958 -3.924 1.00 1.05 C ATOM 167 O TYR A 12 -3.417 6.893 -4.547 1.00 1.27 O ATOM 168 CB TYR A 12 -3.218 8.532 -2.382 1.00 1.85 C ATOM 169 CG TYR A 12 -2.994 9.800 -3.181 1.00 2.15 C ATOM 170 CD1 TYR A 12 -3.671 10.052 -4.387 1.00 3.15 C ATOM 171 CD2 TYR A 12 -2.062 10.731 -2.714 1.00 2.24 C ATOM 172 CE1 TYR A 12 -3.421 11.229 -5.104 1.00 3.87 C ATOM 173 CE2 TYR A 12 -1.811 11.903 -3.431 1.00 3.05 C ATOM 174 CZ TYR A 12 -2.487 12.159 -4.628 1.00 3.73 C ATOM 175 OH TYR A 12 -2.229 13.312 -5.336 1.00 4.68 O ATOM 176 HA TYR A 12 -5.370 8.585 -2.923 1.00 0.00 H ATOM 177 HB3 TYR A 12 -2.425 7.823 -2.620 1.00 0.00 H ATOM 178 HB2 TYR A 12 -3.179 8.776 -1.320 1.00 0.00 H ATOM 179 HD2 TYR A 12 -1.527 10.541 -1.783 1.00 0.00 H ATOM 180 HE2 TYR A 12 -1.084 12.623 -3.055 1.00 0.00 H ATOM 181 HE1 TYR A 12 -3.954 11.422 -6.035 1.00 0.00 H ATOM 182 HD1 TYR A 12 -4.393 9.329 -4.766 1.00 0.00 H ATOM 183 HH TYR A 12 -2.791 13.330 -6.151 1.00 0.00 H ATOM 184 H TYR A 12 -4.054 6.811 -0.837 1.00 0.00 H ATOM 185 N HIS A 13 -5.501 6.258 -4.300 1.00 0.82 N ATOM 186 CA HIS A 13 -5.392 5.372 -5.507 1.00 0.79 C ATOM 187 C HIS A 13 -6.143 5.981 -6.711 1.00 0.80 C ATOM 188 O HIS A 13 -7.045 5.381 -7.276 1.00 1.00 O ATOM 189 CB HIS A 13 -5.977 4.007 -5.086 1.00 0.84 C ATOM 190 CG HIS A 13 -7.425 4.128 -4.674 1.00 1.09 C ATOM 191 ND1 HIS A 13 -8.414 4.553 -5.548 1.00 1.60 N ATOM 192 CD2 HIS A 13 -8.068 3.842 -3.498 1.00 1.94 C ATOM 193 CE1 HIS A 13 -9.585 4.504 -4.897 1.00 2.06 C ATOM 194 NE2 HIS A 13 -9.428 4.078 -3.641 1.00 2.24 N ATOM 195 HA HIS A 13 -4.358 5.261 -5.834 1.00 0.00 H ATOM 196 HB2 HIS A 13 -5.904 3.316 -5.926 1.00 0.00 H ATOM 197 HB3 HIS A 13 -5.401 3.618 -4.246 1.00 0.00 H ATOM 198 HD2 HIS A 13 -7.585 3.484 -2.589 1.00 0.00 H ATOM 199 HE1 HIS A 13 -10.544 4.777 -5.337 1.00 0.00 H ATOM 200 H HIS A 13 -6.393 6.316 -3.768 1.00 0.00 H ATOM 201 N ALA A 14 -5.768 7.168 -7.126 1.00 0.95 N ATOM 202 CA ALA A 14 -6.467 7.789 -8.292 1.00 1.04 C ATOM 203 C ALA A 14 -5.485 8.330 -9.352 1.00 1.37 C ATOM 204 O ALA A 14 -5.355 7.753 -10.415 1.00 2.19 O ATOM 205 CB ALA A 14 -7.320 8.914 -7.694 1.00 1.05 C ATOM 206 HA ALA A 14 -7.070 7.053 -8.824 1.00 0.00 H ATOM 207 HB1 ALA A 14 -8.027 8.492 -6.980 1.00 0.00 H ATOM 208 HB2 ALA A 14 -6.672 9.629 -7.187 1.00 0.00 H ATOM 209 HB3 ALA A 14 -7.865 9.418 -8.492 1.00 0.00 H ATOM 210 H ALA A 14 -4.993 7.671 -6.649 1.00 0.00 H ATOM 211 N SER A 15 -4.827 9.448 -9.113 1.00 1.23 N ATOM 212 CA SER A 15 -3.917 10.000 -10.177 1.00 1.71 C ATOM 213 C SER A 15 -2.520 10.375 -9.658 1.00 1.50 C ATOM 214 O SER A 15 -2.283 11.486 -9.222 1.00 1.92 O ATOM 215 CB SER A 15 -4.636 11.250 -10.699 1.00 2.41 C ATOM 216 OG SER A 15 -4.815 11.145 -12.110 1.00 3.25 O ATOM 217 HA SER A 15 -3.738 9.246 -10.944 1.00 0.00 H ATOM 218 HB2 SER A 15 -4.038 12.133 -10.474 1.00 0.00 H ATOM 219 HB3 SER A 15 -5.609 11.338 -10.215 1.00 0.00 H ATOM 220 HG SER A 15 -5.279 11.953 -12.444 1.00 0.00 H ATOM 221 H SER A 15 -4.935 9.940 -8.203 1.00 0.00 H ATOM 222 N LEU A 16 -1.584 9.470 -9.762 1.00 1.21 N ATOM 223 CA LEU A 16 -0.180 9.773 -9.344 1.00 1.09 C ATOM 224 C LEU A 16 0.786 9.103 -10.347 1.00 1.02 C ATOM 225 O LEU A 16 0.404 8.813 -11.467 1.00 1.12 O ATOM 226 CB LEU A 16 -0.039 9.209 -7.919 1.00 0.93 C ATOM 227 CG LEU A 16 0.023 7.684 -7.943 1.00 0.71 C ATOM 228 CD1 LEU A 16 1.146 7.211 -7.018 1.00 0.87 C ATOM 229 CD2 LEU A 16 -1.308 7.116 -7.451 1.00 0.59 C ATOM 230 HA LEU A 16 0.055 10.837 -9.341 1.00 0.00 H ATOM 231 HB2 LEU A 16 0.875 9.597 -7.470 1.00 0.00 H ATOM 232 HB3 LEU A 16 -0.897 9.523 -7.324 1.00 0.00 H ATOM 233 HG LEU A 16 0.214 7.341 -8.960 1.00 0.00 H ATOM 234 HD21 LEU A 16 -1.493 7.458 -6.433 1.00 0.00 H ATOM 235 HD22 LEU A 16 -2.111 7.459 -8.103 1.00 0.00 H ATOM 236 HD23 LEU A 16 -1.265 6.027 -7.468 1.00 0.00 H ATOM 237 HD11 LEU A 16 2.095 7.622 -7.362 1.00 0.00 H ATOM 238 HD12 LEU A 16 0.947 7.553 -6.003 1.00 0.00 H ATOM 239 HD13 LEU A 16 1.193 6.122 -7.033 1.00 0.00 H ATOM 240 H LEU A 16 -1.817 8.529 -10.139 1.00 0.00 H ATOM 241 N THR A 17 2.014 8.841 -9.973 1.00 0.91 N ATOM 242 CA THR A 17 2.954 8.172 -10.938 1.00 0.89 C ATOM 243 C THR A 17 2.696 6.657 -10.942 1.00 0.78 C ATOM 244 O THR A 17 1.967 6.152 -10.117 1.00 0.78 O ATOM 245 CB THR A 17 4.367 8.476 -10.430 1.00 0.91 C ATOM 246 OG1 THR A 17 4.391 8.370 -9.017 1.00 0.88 O ATOM 247 CG2 THR A 17 4.776 9.892 -10.839 1.00 1.07 C ATOM 248 HA THR A 17 2.818 8.532 -11.958 1.00 0.00 H ATOM 249 HB THR A 17 5.065 7.762 -10.866 1.00 0.00 H ATOM 250 HG1 THR A 17 5.304 8.566 -8.688 1.00 0.00 H ATOM 251 HG23 THR A 17 4.758 9.974 -11.926 1.00 0.00 H ATOM 252 HG21 THR A 17 4.078 10.609 -10.407 1.00 0.00 H ATOM 253 HG22 THR A 17 5.782 10.098 -10.475 1.00 0.00 H ATOM 254 H THR A 17 2.336 9.093 -9.017 1.00 0.00 H ATOM 255 N ARG A 18 3.269 5.928 -11.871 1.00 0.78 N ATOM 256 CA ARG A 18 3.023 4.442 -11.916 1.00 0.74 C ATOM 257 C ARG A 18 4.204 3.662 -11.274 1.00 0.63 C ATOM 258 O ARG A 18 4.627 3.995 -10.183 1.00 0.56 O ATOM 259 CB ARG A 18 2.855 4.117 -13.408 1.00 0.89 C ATOM 260 CG ARG A 18 1.697 4.946 -13.998 1.00 1.28 C ATOM 261 CD ARG A 18 1.892 5.176 -15.517 1.00 1.91 C ATOM 262 NE ARG A 18 2.478 3.904 -16.078 1.00 2.36 N ATOM 263 CZ ARG A 18 2.124 3.477 -17.257 1.00 2.83 C ATOM 264 NH1 ARG A 18 0.896 3.129 -17.489 1.00 3.45 N ATOM 265 NH2 ARG A 18 3.012 3.380 -18.200 1.00 3.27 N ATOM 266 HA ARG A 18 2.143 4.147 -11.345 1.00 0.00 H ATOM 267 HB2 ARG A 18 3.778 4.357 -13.937 1.00 0.00 H ATOM 268 HB3 ARG A 18 2.636 3.056 -13.525 1.00 0.00 H ATOM 269 HG2 ARG A 18 0.760 4.414 -13.836 1.00 0.00 H ATOM 270 HG3 ARG A 18 1.657 5.912 -13.494 1.00 0.00 H ATOM 271 HD2 ARG A 18 2.573 6.010 -15.686 1.00 0.00 H ATOM 272 HD3 ARG A 18 0.934 5.389 -15.991 1.00 0.00 H ATOM 273 HE ARG A 18 3.170 3.364 -15.520 1.00 0.00 H ATOM 274 HH12 ARG A 18 0.621 2.789 -18.433 1.00 0.00 H ATOM 275 HH11 ARG A 18 0.186 3.190 -16.731 1.00 0.00 H ATOM 276 HH22 ARG A 18 2.734 3.040 -19.143 1.00 0.00 H ATOM 277 HH21 ARG A 18 4.001 3.643 -18.012 1.00 0.00 H ATOM 278 H ARG A 18 3.891 6.375 -12.574 1.00 0.00 H ATOM 279 N ALA A 19 4.725 2.624 -11.924 1.00 0.68 N ATOM 280 CA ALA A 19 5.870 1.826 -11.335 1.00 0.66 C ATOM 281 C ALA A 19 6.846 2.746 -10.597 1.00 0.58 C ATOM 282 O ALA A 19 7.323 2.441 -9.516 1.00 0.56 O ATOM 283 CB ALA A 19 6.570 1.182 -12.535 1.00 0.79 C ATOM 284 HA ALA A 19 5.517 1.088 -10.615 1.00 0.00 H ATOM 285 HB1 ALA A 19 5.865 0.541 -13.064 1.00 0.00 H ATOM 286 HB2 ALA A 19 6.929 1.962 -13.207 1.00 0.00 H ATOM 287 HB3 ALA A 19 7.413 0.586 -12.185 1.00 0.00 H ATOM 288 H ALA A 19 4.339 2.356 -12.852 1.00 0.00 H ATOM 289 N GLN A 20 7.114 3.875 -11.193 1.00 0.61 N ATOM 290 CA GLN A 20 8.027 4.898 -10.601 1.00 0.62 C ATOM 291 C GLN A 20 7.736 5.111 -9.105 1.00 0.56 C ATOM 292 O GLN A 20 8.600 4.916 -8.268 1.00 0.56 O ATOM 293 CB GLN A 20 7.686 6.157 -11.412 1.00 0.71 C ATOM 294 CG GLN A 20 8.574 7.345 -11.013 1.00 1.47 C ATOM 295 CD GLN A 20 8.234 8.546 -11.911 1.00 2.33 C ATOM 296 OE1 GLN A 20 7.083 8.829 -12.154 1.00 2.83 O ATOM 297 NE2 GLN A 20 9.189 9.272 -12.419 1.00 3.06 N ATOM 298 HA GLN A 20 9.079 4.617 -10.650 1.00 0.00 H ATOM 299 HB2 GLN A 20 7.832 5.946 -12.471 1.00 0.00 H ATOM 300 HB3 GLN A 20 6.643 6.420 -11.236 1.00 0.00 H ATOM 301 HG2 GLN A 20 8.391 7.604 -9.970 1.00 0.00 H ATOM 302 HG3 GLN A 20 9.623 7.077 -11.141 1.00 0.00 H ATOM 303 HE22 GLN A 20 10.182 9.039 -12.218 1.00 0.00 H ATOM 304 HE21 GLN A 20 8.958 10.084 -13.026 1.00 0.00 H ATOM 305 H GLN A 20 6.675 4.070 -12.115 1.00 0.00 H ATOM 306 N ALA A 21 6.532 5.515 -8.764 1.00 0.58 N ATOM 307 CA ALA A 21 6.198 5.754 -7.324 1.00 0.63 C ATOM 308 C ALA A 21 6.463 4.497 -6.483 1.00 0.63 C ATOM 309 O ALA A 21 7.080 4.567 -5.432 1.00 0.63 O ATOM 310 CB ALA A 21 4.709 6.119 -7.299 1.00 0.75 C ATOM 311 HA ALA A 21 6.814 6.546 -6.898 1.00 0.00 H ATOM 312 HB1 ALA A 21 4.546 7.015 -7.898 1.00 0.00 H ATOM 313 HB2 ALA A 21 4.127 5.294 -7.710 1.00 0.00 H ATOM 314 HB3 ALA A 21 4.399 6.307 -6.271 1.00 0.00 H ATOM 315 H ALA A 21 5.810 5.669 -9.496 1.00 0.00 H ATOM 316 N GLU A 22 6.011 3.351 -6.933 1.00 0.68 N ATOM 317 CA GLU A 22 6.250 2.097 -6.149 1.00 0.76 C ATOM 318 C GLU A 22 7.747 1.790 -6.104 1.00 0.69 C ATOM 319 O GLU A 22 8.305 1.613 -5.042 1.00 0.74 O ATOM 320 CB GLU A 22 5.482 0.996 -6.873 1.00 0.92 C ATOM 321 CG GLU A 22 4.000 1.043 -6.461 1.00 1.15 C ATOM 322 CD GLU A 22 3.545 -0.356 -6.042 1.00 1.93 C ATOM 323 OE1 GLU A 22 4.301 -1.014 -5.348 1.00 2.48 O ATOM 324 OE2 GLU A 22 2.459 -0.744 -6.426 1.00 2.61 O ATOM 325 HA GLU A 22 5.913 2.188 -5.116 1.00 0.00 H ATOM 326 HB2 GLU A 22 5.564 1.144 -7.950 1.00 0.00 H ATOM 327 HB3 GLU A 22 5.902 0.026 -6.608 1.00 0.00 H ATOM 328 HG2 GLU A 22 3.876 1.732 -5.625 1.00 0.00 H ATOM 329 HG3 GLU A 22 3.399 1.384 -7.304 1.00 0.00 H ATOM 330 H GLU A 22 5.488 3.313 -7.831 1.00 0.00 H ATOM 331 N HIS A 23 8.417 1.765 -7.239 1.00 0.64 N ATOM 332 CA HIS A 23 9.896 1.520 -7.219 1.00 0.67 C ATOM 333 C HIS A 23 10.514 2.487 -6.200 1.00 0.63 C ATOM 334 O HIS A 23 11.272 2.098 -5.329 1.00 0.69 O ATOM 335 CB HIS A 23 10.382 1.852 -8.634 1.00 0.73 C ATOM 336 CG HIS A 23 10.982 0.633 -9.283 1.00 1.08 C ATOM 337 ND1 HIS A 23 10.239 -0.205 -10.104 1.00 1.98 N ATOM 338 CD2 HIS A 23 12.256 0.111 -9.268 1.00 1.50 C ATOM 339 CE1 HIS A 23 11.062 -1.176 -10.547 1.00 2.37 C ATOM 340 NE2 HIS A 23 12.303 -1.031 -10.069 1.00 2.02 N ATOM 341 HA HIS A 23 10.165 0.500 -6.944 1.00 0.00 H ATOM 342 HB2 HIS A 23 9.539 2.199 -9.231 1.00 0.00 H ATOM 343 HB3 HIS A 23 11.135 2.638 -8.580 1.00 0.00 H ATOM 344 HD2 HIS A 23 13.099 0.526 -8.715 1.00 0.00 H ATOM 345 HE1 HIS A 23 10.754 -1.981 -11.214 1.00 0.00 H ATOM 346 H HIS A 23 7.923 1.914 -8.142 1.00 0.00 H ATOM 347 N MET A 24 10.140 3.749 -6.289 1.00 0.57 N ATOM 348 CA MET A 24 10.637 4.774 -5.319 1.00 0.60 C ATOM 349 C MET A 24 10.290 4.318 -3.898 1.00 0.59 C ATOM 350 O MET A 24 11.152 4.210 -3.054 1.00 0.64 O ATOM 351 CB MET A 24 9.882 6.069 -5.703 1.00 0.62 C ATOM 352 CG MET A 24 9.645 6.969 -4.476 1.00 0.91 C ATOM 353 SD MET A 24 9.073 8.597 -5.028 1.00 1.20 S ATOM 354 CE MET A 24 8.900 9.365 -3.394 1.00 1.97 C ATOM 355 HA MET A 24 11.716 4.924 -5.351 1.00 0.00 H ATOM 356 HB2 MET A 24 10.471 6.618 -6.437 1.00 0.00 H ATOM 357 HB3 MET A 24 8.919 5.802 -6.138 1.00 0.00 H ATOM 358 HG2 MET A 24 10.576 7.079 -3.920 1.00 0.00 H ATOM 359 HG3 MET A 24 8.890 6.517 -3.833 1.00 0.00 H ATOM 360 HE1 MET A 24 8.179 8.800 -2.803 1.00 0.00 H ATOM 361 HE2 MET A 24 9.866 9.364 -2.889 1.00 0.00 H ATOM 362 HE3 MET A 24 8.551 10.391 -3.511 1.00 0.00 H ATOM 363 H MET A 24 9.488 4.036 -7.047 1.00 0.00 H ATOM 364 N LEU A 25 9.033 4.035 -3.640 1.00 0.56 N ATOM 365 CA LEU A 25 8.629 3.578 -2.271 1.00 0.59 C ATOM 366 C LEU A 25 9.338 2.260 -1.907 1.00 0.60 C ATOM 367 O LEU A 25 9.873 2.122 -0.828 1.00 0.64 O ATOM 368 CB LEU A 25 7.110 3.375 -2.337 1.00 0.61 C ATOM 369 CG LEU A 25 6.321 4.617 -1.865 1.00 0.88 C ATOM 370 CD1 LEU A 25 5.493 4.231 -0.644 1.00 1.57 C ATOM 371 CD2 LEU A 25 7.229 5.798 -1.485 1.00 1.64 C ATOM 372 HA LEU A 25 8.906 4.304 -1.506 1.00 0.00 H ATOM 373 HB2 LEU A 25 6.832 3.156 -3.368 1.00 0.00 H ATOM 374 HB3 LEU A 25 6.843 2.530 -1.702 1.00 0.00 H ATOM 375 HG LEU A 25 5.695 4.941 -2.697 1.00 0.00 H ATOM 376 HD21 LEU A 25 7.892 5.498 -0.673 1.00 0.00 H ATOM 377 HD22 LEU A 25 7.822 6.092 -2.351 1.00 0.00 H ATOM 378 HD23 LEU A 25 6.614 6.638 -1.162 1.00 0.00 H ATOM 379 HD11 LEU A 25 4.802 3.432 -0.913 1.00 0.00 H ATOM 380 HD12 LEU A 25 6.157 3.888 0.150 1.00 0.00 H ATOM 381 HD13 LEU A 25 4.930 5.098 -0.299 1.00 0.00 H ATOM 382 H LEU A 25 8.316 4.128 -4.388 1.00 0.00 H ATOM 383 N MET A 26 9.352 1.298 -2.787 1.00 0.62 N ATOM 384 CA MET A 26 10.034 0.005 -2.468 1.00 0.65 C ATOM 385 C MET A 26 11.550 0.206 -2.286 1.00 0.66 C ATOM 386 O MET A 26 12.175 -0.451 -1.470 1.00 0.71 O ATOM 387 CB MET A 26 9.752 -0.898 -3.673 1.00 0.68 C ATOM 388 CG MET A 26 10.397 -2.271 -3.448 1.00 1.05 C ATOM 389 SD MET A 26 11.393 -2.738 -4.889 1.00 2.56 S ATOM 390 CE MET A 26 10.176 -3.821 -5.681 1.00 3.02 C ATOM 391 HA MET A 26 9.669 -0.424 -1.535 1.00 0.00 H ATOM 392 HB2 MET A 26 8.675 -1.018 -3.793 1.00 0.00 H ATOM 393 HB3 MET A 26 10.168 -0.444 -4.572 1.00 0.00 H ATOM 394 HG2 MET A 26 9.616 -3.015 -3.293 1.00 0.00 H ATOM 395 HG3 MET A 26 11.036 -2.229 -2.566 1.00 0.00 H ATOM 396 HE1 MET A 26 9.927 -4.640 -5.007 1.00 0.00 H ATOM 397 HE2 MET A 26 9.276 -3.249 -5.908 1.00 0.00 H ATOM 398 HE3 MET A 26 10.595 -4.223 -6.604 1.00 0.00 H ATOM 399 H MET A 26 8.890 1.429 -3.709 1.00 0.00 H ATOM 400 N ARG A 27 12.152 1.092 -3.049 1.00 0.65 N ATOM 401 CA ARG A 27 13.636 1.312 -2.932 1.00 0.69 C ATOM 402 C ARG A 27 13.999 2.407 -1.915 1.00 0.71 C ATOM 403 O ARG A 27 15.171 2.692 -1.715 1.00 0.77 O ATOM 404 CB ARG A 27 14.083 1.739 -4.337 1.00 0.74 C ATOM 405 CG ARG A 27 13.742 3.224 -4.569 1.00 0.76 C ATOM 406 CD ARG A 27 15.031 4.062 -4.619 1.00 1.04 C ATOM 407 NE ARG A 27 14.973 4.980 -3.428 1.00 1.80 N ATOM 408 CZ ARG A 27 16.076 5.410 -2.869 1.00 2.23 C ATOM 409 NH1 ARG A 27 16.710 4.648 -2.032 1.00 2.85 N ATOM 410 NH2 ARG A 27 16.529 6.598 -3.148 1.00 2.58 N ATOM 411 HA ARG A 27 14.128 0.407 -2.576 1.00 0.00 H ATOM 412 HB2 ARG A 27 15.159 1.596 -4.433 1.00 0.00 H ATOM 413 HB3 ARG A 27 13.569 1.130 -5.081 1.00 0.00 H ATOM 414 HG2 ARG A 27 13.207 3.328 -5.513 1.00 0.00 H ATOM 415 HG3 ARG A 27 13.111 3.581 -3.755 1.00 0.00 H ATOM 416 HD2 ARG A 27 15.072 4.640 -5.542 1.00 0.00 H ATOM 417 HD3 ARG A 27 15.906 3.416 -4.557 1.00 0.00 H ATOM 418 HE ARG A 27 14.051 5.275 -3.047 1.00 0.00 H ATOM 419 HH12 ARG A 27 17.587 4.984 -1.585 1.00 0.00 H ATOM 420 HH11 ARG A 27 16.341 3.702 -1.809 1.00 0.00 H ATOM 421 HH22 ARG A 27 17.405 6.938 -2.703 1.00 0.00 H ATOM 422 HH21 ARG A 27 16.015 7.207 -3.816 1.00 0.00 H ATOM 423 H ARG A 27 11.600 1.643 -3.737 1.00 0.00 H ATOM 424 N VAL A 28 13.030 3.049 -1.294 1.00 0.72 N ATOM 425 CA VAL A 28 13.376 4.139 -0.322 1.00 0.81 C ATOM 426 C VAL A 28 14.358 3.638 0.737 1.00 0.81 C ATOM 427 O VAL A 28 14.570 2.448 0.895 1.00 0.80 O ATOM 428 CB VAL A 28 12.081 4.591 0.370 1.00 0.90 C ATOM 429 CG1 VAL A 28 11.181 5.328 -0.613 1.00 1.05 C ATOM 430 CG2 VAL A 28 11.334 3.395 0.950 1.00 0.92 C ATOM 431 HA VAL A 28 13.844 4.964 -0.860 1.00 0.00 H ATOM 432 HB VAL A 28 12.351 5.266 1.182 1.00 0.00 H ATOM 433 HG11 VAL A 28 11.704 6.205 -0.995 1.00 0.00 H ATOM 434 HG12 VAL A 28 10.929 4.665 -1.440 1.00 0.00 H ATOM 435 HG13 VAL A 28 10.269 5.640 -0.105 1.00 0.00 H ATOM 436 HG21 VAL A 28 11.082 2.702 0.148 1.00 0.00 H ATOM 437 HG22 VAL A 28 11.968 2.892 1.681 1.00 0.00 H ATOM 438 HG23 VAL A 28 10.421 3.739 1.435 1.00 0.00 H ATOM 439 H VAL A 28 12.036 2.803 -1.476 1.00 0.00 H ATOM 440 N PRO A 29 14.922 4.580 1.434 1.00 0.87 N ATOM 441 CA PRO A 29 15.891 4.260 2.513 1.00 0.93 C ATOM 442 C PRO A 29 15.210 3.561 3.716 1.00 0.97 C ATOM 443 O PRO A 29 15.617 2.483 4.120 1.00 1.25 O ATOM 444 CB PRO A 29 16.445 5.635 2.891 1.00 1.01 C ATOM 445 CG PRO A 29 15.393 6.613 2.473 1.00 1.00 C ATOM 446 CD PRO A 29 14.713 6.028 1.280 1.00 0.94 C ATOM 447 HA PRO A 29 16.664 3.558 2.199 1.00 0.00 H ATOM 448 HD3 PRO A 29 13.650 6.270 1.281 1.00 0.00 H ATOM 449 HD2 PRO A 29 15.166 6.390 0.357 1.00 0.00 H ATOM 450 HG3 PRO A 29 15.849 7.569 2.215 1.00 0.00 H ATOM 451 HG2 PRO A 29 14.675 6.761 3.280 1.00 0.00 H ATOM 452 HB2 PRO A 29 16.617 5.695 3.966 1.00 0.00 H ATOM 453 HB3 PRO A 29 17.379 5.829 2.363 1.00 0.00 H ATOM 454 N ARG A 30 14.195 4.160 4.296 1.00 0.99 N ATOM 455 CA ARG A 30 13.519 3.531 5.486 1.00 1.03 C ATOM 456 C ARG A 30 12.475 2.478 5.098 1.00 0.88 C ATOM 457 O ARG A 30 12.007 2.414 3.978 1.00 1.07 O ATOM 458 CB ARG A 30 12.802 4.679 6.202 1.00 1.17 C ATOM 459 CG ARG A 30 13.781 5.417 7.110 1.00 1.23 C ATOM 460 CD ARG A 30 14.113 4.577 8.352 1.00 1.67 C ATOM 461 NE ARG A 30 15.609 4.585 8.429 1.00 1.89 N ATOM 462 CZ ARG A 30 16.271 5.718 8.447 1.00 2.46 C ATOM 463 NH1 ARG A 30 16.649 6.263 7.333 1.00 2.96 N ATOM 464 NH2 ARG A 30 16.557 6.294 9.573 1.00 3.16 N ATOM 465 HA ARG A 30 14.263 3.021 6.097 1.00 0.00 H ATOM 466 HB2 ARG A 30 12.401 5.372 5.463 1.00 0.00 H ATOM 467 HB3 ARG A 30 11.985 4.277 6.802 1.00 0.00 H ATOM 468 HG2 ARG A 30 14.699 5.617 6.558 1.00 0.00 H ATOM 469 HG3 ARG A 30 13.335 6.360 7.425 1.00 0.00 H ATOM 470 HD2 ARG A 30 13.739 3.559 8.239 1.00 0.00 H ATOM 471 HD3 ARG A 30 13.680 5.025 9.246 1.00 0.00 H ATOM 472 HE ARG A 30 16.128 3.684 8.469 1.00 0.00 H ATOM 473 HH12 ARG A 30 17.174 7.161 7.345 1.00 0.00 H ATOM 474 HH11 ARG A 30 16.428 5.802 6.427 1.00 0.00 H ATOM 475 HH22 ARG A 30 17.082 7.192 9.579 1.00 0.00 H ATOM 476 HH21 ARG A 30 16.261 5.858 10.470 1.00 0.00 H ATOM 477 H ARG A 30 13.856 5.073 3.932 1.00 0.00 H ATOM 478 N ASP A 31 12.077 1.693 6.068 1.00 0.91 N ATOM 479 CA ASP A 31 11.022 0.660 5.858 1.00 0.88 C ATOM 480 C ASP A 31 9.649 1.306 6.044 1.00 0.83 C ATOM 481 O ASP A 31 9.533 2.363 6.643 1.00 0.94 O ATOM 482 CB ASP A 31 11.240 -0.362 6.977 1.00 1.10 C ATOM 483 CG ASP A 31 12.210 -1.444 6.524 1.00 1.47 C ATOM 484 OD1 ASP A 31 11.956 -2.054 5.496 1.00 2.13 O ATOM 485 OD2 ASP A 31 13.195 -1.638 7.215 1.00 2.02 O ATOM 486 HA ASP A 31 11.070 0.213 4.865 1.00 0.00 H ATOM 487 HB2 ASP A 31 11.649 0.144 7.852 1.00 0.00 H ATOM 488 HB3 ASP A 31 10.286 -0.820 7.237 1.00 0.00 H ATOM 489 H ASP A 31 12.508 1.793 7.009 1.00 0.00 H ATOM 490 N GLY A 32 8.609 0.683 5.572 1.00 0.91 N ATOM 491 CA GLY A 32 7.255 1.273 5.766 1.00 0.99 C ATOM 492 C GLY A 32 6.732 1.896 4.472 1.00 1.08 C ATOM 493 O GLY A 32 5.565 1.928 4.257 1.00 1.97 O ATOM 494 HA3 GLY A 32 7.310 2.044 6.535 1.00 0.00 H ATOM 495 HA2 GLY A 32 6.568 0.490 6.087 1.00 0.00 H ATOM 496 H GLY A 32 8.722 -0.218 5.064 1.00 0.00 H ATOM 497 N ALA A 33 7.572 2.408 3.624 1.00 0.84 N ATOM 498 CA ALA A 33 7.073 3.050 2.354 1.00 0.80 C ATOM 499 C ALA A 33 5.753 2.413 1.823 1.00 0.69 C ATOM 500 O ALA A 33 5.760 1.333 1.260 1.00 0.82 O ATOM 501 CB ALA A 33 8.210 2.831 1.358 1.00 0.84 C ATOM 502 HA ALA A 33 6.828 4.100 2.516 1.00 0.00 H ATOM 503 HB1 ALA A 33 9.116 3.308 1.732 1.00 0.00 H ATOM 504 HB2 ALA A 33 8.385 1.762 1.237 1.00 0.00 H ATOM 505 HB3 ALA A 33 7.938 3.267 0.397 1.00 0.00 H ATOM 506 H ALA A 33 8.593 2.375 3.822 1.00 0.00 H ATOM 507 N PHE A 34 4.623 3.100 1.980 1.00 0.58 N ATOM 508 CA PHE A 34 3.301 2.562 1.460 1.00 0.53 C ATOM 509 C PHE A 34 2.766 3.472 0.342 1.00 0.56 C ATOM 510 O PHE A 34 2.794 4.680 0.469 1.00 0.61 O ATOM 511 CB PHE A 34 2.275 2.608 2.609 1.00 0.55 C ATOM 512 CG PHE A 34 2.901 2.343 3.951 1.00 0.90 C ATOM 513 CD1 PHE A 34 3.082 1.029 4.386 1.00 1.52 C ATOM 514 CD2 PHE A 34 3.273 3.415 4.769 1.00 1.40 C ATOM 515 CE1 PHE A 34 3.645 0.783 5.639 1.00 2.12 C ATOM 516 CE2 PHE A 34 3.835 3.172 6.028 1.00 1.95 C ATOM 517 CZ PHE A 34 4.023 1.854 6.462 1.00 2.20 C ATOM 518 HA PHE A 34 3.450 1.549 1.086 1.00 0.00 H ATOM 519 HB2 PHE A 34 1.814 3.595 2.627 1.00 0.00 H ATOM 520 HB3 PHE A 34 1.510 1.854 2.425 1.00 0.00 H ATOM 521 HD2 PHE A 34 3.125 4.439 4.426 1.00 0.00 H ATOM 522 HE2 PHE A 34 4.125 4.005 6.668 1.00 0.00 H ATOM 523 HZ PHE A 34 4.463 1.660 7.440 1.00 0.00 H ATOM 524 HE1 PHE A 34 3.791 -0.242 5.978 1.00 0.00 H ATOM 525 HD1 PHE A 34 2.784 0.197 3.748 1.00 0.00 H ATOM 526 H PHE A 34 4.646 4.019 2.466 1.00 0.00 H ATOM 527 N LEU A 35 2.258 2.923 -0.742 1.00 0.57 N ATOM 528 CA LEU A 35 1.715 3.813 -1.827 1.00 0.61 C ATOM 529 C LEU A 35 0.903 3.033 -2.879 1.00 0.58 C ATOM 530 O LEU A 35 1.371 2.068 -3.450 1.00 0.61 O ATOM 531 CB LEU A 35 2.954 4.446 -2.462 1.00 0.72 C ATOM 532 CG LEU A 35 2.534 5.472 -3.517 1.00 0.57 C ATOM 533 CD1 LEU A 35 1.871 6.671 -2.833 1.00 0.96 C ATOM 534 CD2 LEU A 35 3.772 5.947 -4.275 1.00 0.65 C ATOM 535 HA LEU A 35 1.021 4.549 -1.421 1.00 0.00 H ATOM 536 HB2 LEU A 35 3.543 4.942 -1.690 1.00 0.00 H ATOM 537 HB3 LEU A 35 3.556 3.669 -2.933 1.00 0.00 H ATOM 538 HG LEU A 35 1.828 5.013 -4.210 1.00 0.00 H ATOM 539 HD21 LEU A 35 4.471 6.405 -3.576 1.00 0.00 H ATOM 540 HD22 LEU A 35 4.248 5.095 -4.761 1.00 0.00 H ATOM 541 HD23 LEU A 35 3.477 6.678 -5.028 1.00 0.00 H ATOM 542 HD11 LEU A 35 0.991 6.334 -2.284 1.00 0.00 H ATOM 543 HD12 LEU A 35 2.578 7.130 -2.142 1.00 0.00 H ATOM 544 HD13 LEU A 35 1.573 7.399 -3.587 1.00 0.00 H ATOM 545 H LEU A 35 2.233 1.889 -0.847 1.00 0.00 H ATOM 546 N VAL A 36 -0.301 3.477 -3.155 1.00 0.60 N ATOM 547 CA VAL A 36 -1.154 2.800 -4.194 1.00 0.60 C ATOM 548 C VAL A 36 -1.251 3.685 -5.439 1.00 0.64 C ATOM 549 O VAL A 36 -1.590 4.847 -5.353 1.00 0.75 O ATOM 550 CB VAL A 36 -2.559 2.613 -3.584 1.00 0.62 C ATOM 551 CG1 VAL A 36 -2.595 1.326 -2.765 1.00 1.38 C ATOM 552 CG2 VAL A 36 -2.934 3.801 -2.685 1.00 1.35 C ATOM 553 HA VAL A 36 -0.723 1.841 -4.482 1.00 0.00 H ATOM 554 HB VAL A 36 -3.280 2.556 -4.399 1.00 0.00 H ATOM 555 HG11 VAL A 36 -2.365 0.479 -3.411 1.00 0.00 H ATOM 556 HG12 VAL A 36 -1.857 1.385 -1.965 1.00 0.00 H ATOM 557 HG13 VAL A 36 -3.589 1.198 -2.336 1.00 0.00 H ATOM 558 HG21 VAL A 36 -2.210 3.885 -1.875 1.00 0.00 H ATOM 559 HG22 VAL A 36 -2.929 4.717 -3.275 1.00 0.00 H ATOM 560 HG23 VAL A 36 -3.929 3.641 -2.270 1.00 0.00 H ATOM 561 H VAL A 36 -0.670 4.307 -2.649 1.00 0.00 H ATOM 562 N ARG A 37 -0.963 3.145 -6.595 1.00 0.69 N ATOM 563 CA ARG A 37 -1.048 3.972 -7.842 1.00 0.75 C ATOM 564 C ARG A 37 -1.571 3.146 -9.044 1.00 0.74 C ATOM 565 O ARG A 37 -1.750 1.944 -8.958 1.00 0.69 O ATOM 566 CB ARG A 37 0.371 4.508 -8.057 1.00 0.81 C ATOM 567 CG ARG A 37 1.100 3.737 -9.153 1.00 0.93 C ATOM 568 CD ARG A 37 1.254 2.280 -8.748 1.00 1.24 C ATOM 569 NE ARG A 37 2.050 1.671 -9.840 1.00 1.35 N ATOM 570 CZ ARG A 37 2.575 0.517 -9.665 1.00 1.83 C ATOM 571 NH1 ARG A 37 1.892 -0.543 -9.896 1.00 2.44 N ATOM 572 NH2 ARG A 37 3.790 0.420 -9.262 1.00 2.48 N ATOM 573 HA ARG A 37 -1.765 4.788 -7.749 1.00 0.00 H ATOM 574 HB2 ARG A 37 0.314 5.559 -8.341 1.00 0.00 H ATOM 575 HB3 ARG A 37 0.930 4.414 -7.126 1.00 0.00 H ATOM 576 HG2 ARG A 37 0.527 3.796 -10.079 1.00 0.00 H ATOM 577 HG3 ARG A 37 2.086 4.175 -9.308 1.00 0.00 H ATOM 578 HD2 ARG A 37 0.280 1.798 -8.666 1.00 0.00 H ATOM 579 HD3 ARG A 37 1.779 2.198 -7.796 1.00 0.00 H ATOM 580 HE ARG A 37 2.181 2.176 -10.739 1.00 0.00 H ATOM 581 HH12 ARG A 37 2.321 -1.480 -9.753 1.00 0.00 H ATOM 582 HH11 ARG A 37 0.909 -0.466 -10.226 1.00 0.00 H ATOM 583 HH22 ARG A 37 4.217 -0.517 -9.120 1.00 0.00 H ATOM 584 HH21 ARG A 37 4.347 1.279 -9.078 1.00 0.00 H ATOM 585 H ARG A 37 -0.676 2.147 -6.649 1.00 0.00 H ATOM 586 N LYS A 38 -1.856 3.804 -10.145 1.00 0.79 N ATOM 587 CA LYS A 38 -2.422 3.101 -11.347 1.00 0.81 C ATOM 588 C LYS A 38 -1.388 2.250 -12.113 1.00 0.85 C ATOM 589 O LYS A 38 -0.225 2.598 -12.215 1.00 0.98 O ATOM 590 CB LYS A 38 -2.938 4.231 -12.256 1.00 0.88 C ATOM 591 CG LYS A 38 -4.449 4.035 -12.504 1.00 0.91 C ATOM 592 CD LYS A 38 -4.689 3.675 -13.975 1.00 1.65 C ATOM 593 CE LYS A 38 -6.050 2.987 -14.144 1.00 1.98 C ATOM 594 NZ LYS A 38 -5.858 1.565 -13.691 1.00 3.11 N ATOM 595 HA LYS A 38 -3.193 2.396 -11.036 1.00 0.00 H ATOM 596 HB2 LYS A 38 -2.770 5.193 -11.773 1.00 0.00 H ATOM 597 HB3 LYS A 38 -2.406 4.206 -13.207 1.00 0.00 H ATOM 598 HG2 LYS A 38 -4.819 3.230 -11.869 1.00 0.00 H ATOM 599 HG3 LYS A 38 -4.978 4.958 -12.265 1.00 0.00 H ATOM 600 HD2 LYS A 38 -4.669 4.585 -14.575 1.00 0.00 H ATOM 601 HD3 LYS A 38 -3.902 3.001 -14.313 1.00 0.00 H ATOM 602 HE2 LYS A 38 -6.360 3.013 -15.189 1.00 0.00 H ATOM 603 HE3 LYS A 38 -6.803 3.481 -13.530 1.00 0.00 H ATOM 604 HZ1 LYS A 38 -5.132 1.110 -14.280 1.00 0.00 H ATOM 605 HZ2 LYS A 38 -5.554 1.557 -12.696 1.00 0.00 H ATOM 606 HZ3 LYS A 38 -6.756 1.048 -13.785 1.00 0.00 H ATOM 607 H LYS A 38 -1.687 4.829 -10.186 1.00 0.00 H ATOM 608 N ARG A 39 -1.839 1.150 -12.681 1.00 0.85 N ATOM 609 CA ARG A 39 -0.939 0.262 -13.491 1.00 0.95 C ATOM 610 C ARG A 39 -1.368 0.299 -14.978 1.00 0.89 C ATOM 611 O ARG A 39 -2.427 0.800 -15.313 1.00 1.04 O ATOM 612 CB ARG A 39 -1.136 -1.142 -12.911 1.00 1.13 C ATOM 613 CG ARG A 39 0.196 -1.892 -12.926 1.00 1.17 C ATOM 614 CD ARG A 39 0.011 -3.313 -12.390 1.00 1.46 C ATOM 615 NE ARG A 39 -0.949 -3.986 -13.329 1.00 1.64 N ATOM 616 CZ ARG A 39 -0.500 -4.718 -14.308 1.00 1.82 C ATOM 617 NH1 ARG A 39 0.116 -4.179 -15.310 1.00 2.51 N ATOM 618 NH2 ARG A 39 -0.657 -5.996 -14.278 1.00 2.03 N ATOM 619 HA ARG A 39 0.104 0.575 -13.447 1.00 0.00 H ATOM 620 HB2 ARG A 39 -1.498 -1.064 -11.886 1.00 0.00 H ATOM 621 HB3 ARG A 39 -1.865 -1.685 -13.512 1.00 0.00 H ATOM 622 HG2 ARG A 39 0.571 -1.939 -13.948 1.00 0.00 H ATOM 623 HG3 ARG A 39 0.914 -1.362 -12.301 1.00 0.00 H ATOM 624 HD2 ARG A 39 -0.400 -3.287 -11.381 1.00 0.00 H ATOM 625 HD3 ARG A 39 0.964 -3.841 -12.379 1.00 0.00 H ATOM 626 HE ARG A 39 -1.974 -3.867 -13.197 1.00 0.00 H ATOM 627 HH12 ARG A 39 0.469 -4.776 -16.085 1.00 0.00 H ATOM 628 HH11 ARG A 39 0.258 -3.149 -15.340 1.00 0.00 H ATOM 629 HH22 ARG A 39 -0.299 -6.582 -15.059 1.00 0.00 H ATOM 630 HH21 ARG A 39 -1.142 -6.442 -13.473 1.00 0.00 H ATOM 631 H ARG A 39 -2.840 0.891 -12.566 1.00 0.00 H ATOM 632 N ASN A 40 -0.547 -0.213 -15.867 1.00 1.00 N ATOM 633 CA ASN A 40 -0.886 -0.198 -17.340 1.00 1.01 C ATOM 634 C ASN A 40 -2.066 -1.130 -17.675 1.00 1.01 C ATOM 635 O ASN A 40 -2.676 -1.012 -18.719 1.00 1.36 O ATOM 636 CB ASN A 40 0.378 -0.707 -18.044 1.00 1.07 C ATOM 637 CG ASN A 40 0.450 -0.159 -19.469 1.00 1.46 C ATOM 638 OD1 ASN A 40 0.187 1.003 -19.701 1.00 2.20 O ATOM 639 ND2 ASN A 40 0.818 -0.948 -20.438 1.00 1.85 N ATOM 640 HA ASN A 40 -1.184 0.802 -17.655 1.00 0.00 H ATOM 641 HB2 ASN A 40 1.256 -0.379 -17.488 1.00 0.00 H ATOM 642 HB3 ASN A 40 0.357 -1.796 -18.078 1.00 0.00 H ATOM 643 HD22 ASN A 40 1.044 -1.944 -20.241 1.00 0.00 H ATOM 644 HD21 ASN A 40 0.886 -0.582 -21.409 1.00 0.00 H ATOM 645 H ASN A 40 0.350 -0.635 -15.552 1.00 0.00 H ATOM 646 N GLU A 41 -2.370 -2.066 -16.818 1.00 0.86 N ATOM 647 CA GLU A 41 -3.483 -3.024 -17.096 1.00 0.91 C ATOM 648 C GLU A 41 -4.844 -2.449 -16.637 1.00 0.96 C ATOM 649 O GLU A 41 -4.928 -1.805 -15.607 1.00 1.08 O ATOM 650 CB GLU A 41 -3.086 -4.264 -16.280 1.00 0.96 C ATOM 651 CG GLU A 41 -3.447 -5.554 -17.034 1.00 1.85 C ATOM 652 CD GLU A 41 -2.194 -6.154 -17.677 1.00 2.80 C ATOM 653 OE1 GLU A 41 -1.280 -6.501 -16.936 1.00 3.43 O ATOM 654 OE2 GLU A 41 -2.165 -6.245 -18.895 1.00 3.43 O ATOM 655 HA GLU A 41 -3.612 -3.239 -18.157 1.00 0.00 H ATOM 656 HB2 GLU A 41 -2.011 -4.244 -16.100 1.00 0.00 H ATOM 657 HB3 GLU A 41 -3.613 -4.248 -15.326 1.00 0.00 H ATOM 658 HG2 GLU A 41 -3.874 -6.273 -16.335 1.00 0.00 H ATOM 659 HG3 GLU A 41 -4.177 -5.326 -17.810 1.00 0.00 H ATOM 660 H GLU A 41 -1.832 -2.146 -15.932 1.00 0.00 H ATOM 661 N PRO A 42 -5.876 -2.724 -17.409 1.00 1.07 N ATOM 662 CA PRO A 42 -7.246 -2.240 -17.063 1.00 1.20 C ATOM 663 C PRO A 42 -7.753 -2.983 -15.818 1.00 1.11 C ATOM 664 O PRO A 42 -7.461 -4.150 -15.626 1.00 1.47 O ATOM 665 CB PRO A 42 -8.073 -2.583 -18.300 1.00 1.40 C ATOM 666 CG PRO A 42 -7.332 -3.701 -18.960 1.00 1.41 C ATOM 667 CD PRO A 42 -5.871 -3.490 -18.663 1.00 1.26 C ATOM 668 HA PRO A 42 -7.293 -1.177 -16.825 1.00 0.00 H ATOM 669 HD3 PRO A 42 -5.359 -4.444 -18.534 1.00 0.00 H ATOM 670 HD2 PRO A 42 -5.390 -2.925 -19.461 1.00 0.00 H ATOM 671 HG3 PRO A 42 -7.503 -3.681 -20.036 1.00 0.00 H ATOM 672 HG2 PRO A 42 -7.662 -4.659 -18.559 1.00 0.00 H ATOM 673 HB2 PRO A 42 -9.075 -2.902 -18.015 1.00 0.00 H ATOM 674 HB3 PRO A 42 -8.143 -1.723 -18.966 1.00 0.00 H ATOM 675 N ASN A 43 -8.479 -2.309 -14.952 1.00 1.16 N ATOM 676 CA ASN A 43 -8.958 -2.975 -13.697 1.00 1.12 C ATOM 677 C ASN A 43 -7.738 -3.578 -12.981 1.00 1.07 C ATOM 678 O ASN A 43 -7.757 -4.702 -12.511 1.00 1.73 O ATOM 679 CB ASN A 43 -9.952 -4.057 -14.158 1.00 1.13 C ATOM 680 CG ASN A 43 -11.386 -3.574 -13.913 1.00 1.51 C ATOM 681 OD1 ASN A 43 -11.712 -2.444 -14.195 1.00 2.17 O ATOM 682 ND2 ASN A 43 -12.263 -4.387 -13.399 1.00 2.01 N ATOM 683 HA ASN A 43 -9.446 -2.296 -12.997 1.00 0.00 H ATOM 684 HB2 ASN A 43 -9.811 -4.251 -15.221 1.00 0.00 H ATOM 685 HB3 ASN A 43 -9.777 -4.974 -13.596 1.00 0.00 H ATOM 686 HD22 ASN A 43 -11.989 -5.360 -13.154 1.00 0.00 H ATOM 687 HD21 ASN A 43 -13.237 -4.064 -13.233 1.00 0.00 H ATOM 688 H ASN A 43 -8.720 -1.315 -15.138 1.00 0.00 H ATOM 689 N SER A 44 -6.657 -2.827 -12.936 1.00 0.78 N ATOM 690 CA SER A 44 -5.400 -3.326 -12.302 1.00 0.73 C ATOM 691 C SER A 44 -4.667 -2.205 -11.555 1.00 0.80 C ATOM 692 O SER A 44 -3.844 -1.505 -12.113 1.00 1.48 O ATOM 693 CB SER A 44 -4.557 -3.806 -13.479 1.00 0.90 C ATOM 694 OG SER A 44 -3.354 -4.406 -13.008 1.00 1.41 O ATOM 695 HA SER A 44 -5.596 -4.105 -11.566 1.00 0.00 H ATOM 696 HB2 SER A 44 -4.311 -2.957 -14.116 1.00 0.00 H ATOM 697 HB3 SER A 44 -5.124 -4.538 -14.054 1.00 0.00 H ATOM 698 HG SER A 44 -2.837 -3.741 -12.487 1.00 0.00 H ATOM 699 H SER A 44 -6.679 -1.872 -13.348 1.00 0.00 H ATOM 700 N TYR A 45 -4.934 -2.054 -10.288 1.00 0.61 N ATOM 701 CA TYR A 45 -4.220 -1.013 -9.483 1.00 0.57 C ATOM 702 C TYR A 45 -3.112 -1.705 -8.686 1.00 0.55 C ATOM 703 O TYR A 45 -3.065 -2.901 -8.647 1.00 0.92 O ATOM 704 CB TYR A 45 -5.274 -0.414 -8.548 1.00 0.66 C ATOM 705 CG TYR A 45 -5.052 1.073 -8.498 1.00 0.75 C ATOM 706 CD1 TYR A 45 -5.535 1.879 -9.530 1.00 1.25 C ATOM 707 CD2 TYR A 45 -4.327 1.637 -7.445 1.00 0.76 C ATOM 708 CE1 TYR A 45 -5.297 3.257 -9.507 1.00 1.46 C ATOM 709 CE2 TYR A 45 -4.080 3.012 -7.429 1.00 1.03 C ATOM 710 CZ TYR A 45 -4.566 3.821 -8.460 1.00 1.28 C ATOM 711 OH TYR A 45 -4.305 5.173 -8.457 1.00 1.60 O ATOM 712 HA TYR A 45 -3.765 -0.234 -10.095 1.00 0.00 H ATOM 713 HB3 TYR A 45 -5.169 -0.839 -7.550 1.00 0.00 H ATOM 714 HB2 TYR A 45 -6.273 -0.628 -8.929 1.00 0.00 H ATOM 715 HD2 TYR A 45 -3.955 1.006 -6.638 1.00 0.00 H ATOM 716 HE2 TYR A 45 -3.508 3.454 -6.613 1.00 0.00 H ATOM 717 HE1 TYR A 45 -5.682 3.890 -10.306 1.00 0.00 H ATOM 718 HD1 TYR A 45 -6.097 1.435 -10.352 1.00 0.00 H ATOM 719 HH TYR A 45 -4.682 5.579 -7.636 1.00 0.00 H ATOM 720 H TYR A 45 -5.647 -2.660 -9.834 1.00 0.00 H ATOM 721 N ALA A 46 -2.220 -1.005 -8.049 1.00 0.56 N ATOM 722 CA ALA A 46 -1.166 -1.744 -7.281 1.00 0.54 C ATOM 723 C ALA A 46 -0.887 -1.081 -5.930 1.00 0.51 C ATOM 724 O ALA A 46 -1.229 0.065 -5.704 1.00 0.62 O ATOM 725 CB ALA A 46 0.066 -1.748 -8.180 1.00 0.65 C ATOM 726 HA ALA A 46 -1.481 -2.759 -7.040 1.00 0.00 H ATOM 727 HB1 ALA A 46 -0.171 -2.252 -9.117 1.00 0.00 H ATOM 728 HB2 ALA A 46 0.368 -0.721 -8.385 1.00 0.00 H ATOM 729 HB3 ALA A 46 0.878 -2.274 -7.679 1.00 0.00 H ATOM 730 H ALA A 46 -2.237 0.035 -8.072 1.00 0.00 H ATOM 731 N ILE A 47 -0.292 -1.818 -5.022 1.00 0.49 N ATOM 732 CA ILE A 47 -0.005 -1.273 -3.657 1.00 0.48 C ATOM 733 C ILE A 47 1.490 -1.363 -3.314 1.00 0.52 C ATOM 734 O ILE A 47 2.032 -2.443 -3.168 1.00 0.78 O ATOM 735 CB ILE A 47 -0.785 -2.183 -2.696 1.00 0.52 C ATOM 736 CG1 ILE A 47 -2.292 -2.096 -2.968 1.00 0.85 C ATOM 737 CG2 ILE A 47 -0.496 -1.753 -1.254 1.00 1.10 C ATOM 738 CD1 ILE A 47 -3.038 -3.062 -2.042 1.00 1.07 C ATOM 739 HA ILE A 47 -0.288 -0.222 -3.592 1.00 0.00 H ATOM 740 HB ILE A 47 -0.468 -3.214 -2.849 1.00 0.00 H ATOM 741 HG12 ILE A 47 -2.636 -1.078 -2.784 1.00 0.00 H ATOM 742 HG13 ILE A 47 -2.490 -2.363 -4.006 1.00 0.00 H ATOM 743 HD11 ILE A 47 -2.694 -4.080 -2.227 1.00 0.00 H ATOM 744 HD12 ILE A 47 -2.841 -2.794 -1.004 1.00 0.00 H ATOM 745 HD13 ILE A 47 -4.108 -2.998 -2.238 1.00 0.00 H ATOM 746 HG21 ILE A 47 0.573 -1.841 -1.057 1.00 0.00 H ATOM 747 HG22 ILE A 47 -0.809 -0.718 -1.115 1.00 0.00 H ATOM 748 HG23 ILE A 47 -1.047 -2.395 -0.567 1.00 0.00 H ATOM 749 H ILE A 47 -0.016 -2.794 -5.253 1.00 0.00 H ATOM 750 N SER A 48 2.151 -0.247 -3.139 1.00 0.57 N ATOM 751 CA SER A 48 3.595 -0.296 -2.756 1.00 0.63 C ATOM 752 C SER A 48 3.716 -0.414 -1.240 1.00 0.53 C ATOM 753 O SER A 48 3.162 0.375 -0.498 1.00 0.66 O ATOM 754 CB SER A 48 4.218 1.000 -3.266 1.00 0.82 C ATOM 755 OG SER A 48 5.502 0.702 -3.802 1.00 1.55 O ATOM 756 HA SER A 48 4.106 -1.157 -3.187 1.00 0.00 H ATOM 757 HB2 SER A 48 4.318 1.709 -2.444 1.00 0.00 H ATOM 758 HB3 SER A 48 3.586 1.432 -4.042 1.00 0.00 H ATOM 759 HG SER A 48 5.406 0.056 -4.546 1.00 0.00 H ATOM 760 H SER A 48 1.674 0.669 -3.266 1.00 0.00 H ATOM 761 N PHE A 49 4.405 -1.424 -0.785 1.00 0.60 N ATOM 762 CA PHE A 49 4.551 -1.655 0.683 1.00 0.59 C ATOM 763 C PHE A 49 5.968 -2.162 0.998 1.00 0.60 C ATOM 764 O PHE A 49 6.335 -3.261 0.621 1.00 0.75 O ATOM 765 CB PHE A 49 3.513 -2.743 0.967 1.00 0.67 C ATOM 766 CG PHE A 49 2.768 -2.463 2.247 1.00 0.76 C ATOM 767 CD1 PHE A 49 3.296 -2.891 3.468 1.00 0.92 C ATOM 768 CD2 PHE A 49 1.537 -1.801 2.210 1.00 0.99 C ATOM 769 CE1 PHE A 49 2.595 -2.652 4.653 1.00 1.18 C ATOM 770 CE2 PHE A 49 0.834 -1.565 3.397 1.00 1.29 C ATOM 771 CZ PHE A 49 1.365 -1.991 4.619 1.00 1.34 C ATOM 772 HA PHE A 49 4.404 -0.757 1.283 1.00 0.00 H ATOM 773 HB2 PHE A 49 2.802 -2.781 0.142 1.00 0.00 H ATOM 774 HB3 PHE A 49 4.019 -3.704 1.053 1.00 0.00 H ATOM 775 HD2 PHE A 49 1.125 -1.469 1.257 1.00 0.00 H ATOM 776 HE2 PHE A 49 -0.126 -1.050 3.369 1.00 0.00 H ATOM 777 HZ PHE A 49 0.819 -1.807 5.544 1.00 0.00 H ATOM 778 HE1 PHE A 49 3.009 -2.982 5.606 1.00 0.00 H ATOM 779 HD1 PHE A 49 4.254 -3.411 3.496 1.00 0.00 H ATOM 780 H PHE A 49 4.859 -2.078 -1.454 1.00 0.00 H ATOM 781 N ARG A 50 6.774 -1.373 1.668 1.00 0.56 N ATOM 782 CA ARG A 50 8.169 -1.828 1.986 1.00 0.61 C ATOM 783 C ARG A 50 8.266 -2.330 3.429 1.00 0.60 C ATOM 784 O ARG A 50 8.133 -1.569 4.371 1.00 0.57 O ATOM 785 CB ARG A 50 9.057 -0.596 1.791 1.00 0.65 C ATOM 786 CG ARG A 50 10.491 -0.934 2.217 1.00 0.81 C ATOM 787 CD ARG A 50 11.416 0.238 1.895 1.00 1.04 C ATOM 788 NE ARG A 50 12.786 -0.353 1.883 1.00 1.14 N ATOM 789 CZ ARG A 50 13.636 -0.075 2.827 1.00 1.38 C ATOM 790 NH1 ARG A 50 13.552 -0.659 3.982 1.00 2.04 N ATOM 791 NH2 ARG A 50 14.550 0.808 2.629 1.00 1.99 N ATOM 792 HA ARG A 50 8.472 -2.656 1.345 1.00 0.00 H ATOM 793 HB2 ARG A 50 9.048 -0.302 0.741 1.00 0.00 H ATOM 794 HB3 ARG A 50 8.680 0.226 2.400 1.00 0.00 H ATOM 795 HG2 ARG A 50 10.514 -1.130 3.289 1.00 0.00 H ATOM 796 HG3 ARG A 50 10.829 -1.820 1.680 1.00 0.00 H ATOM 797 HD2 ARG A 50 11.337 1.011 2.659 1.00 0.00 H ATOM 798 HD3 ARG A 50 11.172 0.664 0.922 1.00 0.00 H ATOM 799 HE ARG A 50 13.064 -0.993 1.112 1.00 0.00 H ATOM 800 HH12 ARG A 50 14.236 -0.431 4.731 1.00 0.00 H ATOM 801 HH11 ARG A 50 12.800 -1.356 4.159 1.00 0.00 H ATOM 802 HH22 ARG A 50 15.230 1.031 3.384 1.00 0.00 H ATOM 803 HH21 ARG A 50 14.609 1.299 1.714 1.00 0.00 H ATOM 804 H ARG A 50 6.448 -0.435 1.978 1.00 0.00 H ATOM 805 N ALA A 51 8.512 -3.603 3.609 1.00 0.70 N ATOM 806 CA ALA A 51 8.629 -4.157 4.990 1.00 0.73 C ATOM 807 C ALA A 51 10.067 -4.610 5.285 1.00 0.77 C ATOM 808 O ALA A 51 10.839 -4.915 4.391 1.00 0.83 O ATOM 809 CB ALA A 51 7.679 -5.353 5.015 1.00 0.76 C ATOM 810 HA ALA A 51 8.380 -3.412 5.746 1.00 0.00 H ATOM 811 HB1 ALA A 51 6.665 -5.015 4.800 1.00 0.00 H ATOM 812 HB2 ALA A 51 7.989 -6.077 4.262 1.00 0.00 H ATOM 813 HB3 ALA A 51 7.707 -5.817 6.001 1.00 0.00 H ATOM 814 H ALA A 51 8.626 -4.230 2.787 1.00 0.00 H ATOM 815 N GLU A 52 10.415 -4.653 6.547 1.00 0.79 N ATOM 816 CA GLU A 52 11.792 -5.084 6.965 1.00 0.87 C ATOM 817 C GLU A 52 12.184 -6.423 6.316 1.00 0.95 C ATOM 818 O GLU A 52 11.558 -7.443 6.536 1.00 0.98 O ATOM 819 CB GLU A 52 11.740 -5.232 8.501 1.00 0.89 C ATOM 820 CG GLU A 52 10.435 -5.920 8.936 1.00 0.94 C ATOM 821 CD GLU A 52 10.497 -6.297 10.419 1.00 1.39 C ATOM 822 OE1 GLU A 52 11.420 -7.000 10.800 1.00 1.98 O ATOM 823 OE2 GLU A 52 9.613 -5.878 11.147 1.00 1.89 O ATOM 824 HA GLU A 52 12.538 -4.355 6.649 1.00 0.00 H ATOM 825 HB2 GLU A 52 12.588 -5.831 8.832 1.00 0.00 H ATOM 826 HB3 GLU A 52 11.794 -4.244 8.958 1.00 0.00 H ATOM 827 HG2 GLU A 52 9.599 -5.240 8.773 1.00 0.00 H ATOM 828 HG3 GLU A 52 10.289 -6.822 8.342 1.00 0.00 H ATOM 829 H GLU A 52 9.723 -4.383 7.275 1.00 0.00 H ATOM 830 N GLY A 53 13.230 -6.418 5.523 1.00 1.07 N ATOM 831 CA GLY A 53 13.698 -7.678 4.854 1.00 1.23 C ATOM 832 C GLY A 53 12.531 -8.408 4.164 1.00 1.16 C ATOM 833 O GLY A 53 12.493 -9.622 4.130 1.00 1.23 O ATOM 834 HA3 GLY A 53 14.137 -8.337 5.603 1.00 0.00 H ATOM 835 HA2 GLY A 53 14.451 -7.426 4.108 1.00 0.00 H ATOM 836 H GLY A 53 13.742 -5.528 5.356 1.00 0.00 H ATOM 837 N LYS A 54 11.592 -7.683 3.603 1.00 1.10 N ATOM 838 CA LYS A 54 10.436 -8.338 2.900 1.00 1.09 C ATOM 839 C LYS A 54 9.720 -7.313 2.028 1.00 1.00 C ATOM 840 O LYS A 54 9.298 -6.273 2.496 1.00 1.15 O ATOM 841 CB LYS A 54 9.477 -8.842 3.989 1.00 1.15 C ATOM 842 CG LYS A 54 8.490 -9.854 3.365 1.00 1.35 C ATOM 843 CD LYS A 54 7.077 -9.663 3.951 1.00 1.96 C ATOM 844 CE LYS A 54 6.496 -11.021 4.390 1.00 2.33 C ATOM 845 NZ LYS A 54 5.408 -10.685 5.359 1.00 2.88 N ATOM 846 HA LYS A 54 10.777 -9.156 2.266 1.00 0.00 H ATOM 847 HB2 LYS A 54 10.047 -9.328 4.781 1.00 0.00 H ATOM 848 HB3 LYS A 54 8.923 -8.001 4.406 1.00 0.00 H ATOM 849 HG2 LYS A 54 8.455 -9.702 2.286 1.00 0.00 H ATOM 850 HG3 LYS A 54 8.833 -10.867 3.577 1.00 0.00 H ATOM 851 HD2 LYS A 54 7.131 -8.998 4.813 1.00 0.00 H ATOM 852 HD3 LYS A 54 6.429 -9.222 3.194 1.00 0.00 H ATOM 853 HE2 LYS A 54 7.263 -11.628 4.871 1.00 0.00 H ATOM 854 HE3 LYS A 54 6.092 -11.560 3.533 1.00 0.00 H ATOM 855 HZ1 LYS A 54 5.811 -10.162 6.163 1.00 0.00 H ATOM 856 HZ2 LYS A 54 4.693 -10.097 4.885 1.00 0.00 H ATOM 857 HZ3 LYS A 54 4.966 -11.562 5.701 1.00 0.00 H ATOM 858 H LYS A 54 11.648 -6.645 3.645 1.00 0.00 H ATOM 859 N ILE A 55 9.581 -7.587 0.767 1.00 0.82 N ATOM 860 CA ILE A 55 8.894 -6.608 -0.114 1.00 0.77 C ATOM 861 C ILE A 55 8.139 -7.323 -1.241 1.00 0.75 C ATOM 862 O ILE A 55 8.711 -8.096 -1.987 1.00 0.77 O ATOM 863 CB ILE A 55 10.023 -5.750 -0.692 1.00 0.80 C ATOM 864 CG1 ILE A 55 10.479 -4.706 0.341 1.00 0.89 C ATOM 865 CG2 ILE A 55 9.516 -5.039 -1.947 1.00 0.75 C ATOM 866 CD1 ILE A 55 11.404 -3.687 -0.333 1.00 1.18 C ATOM 867 HA ILE A 55 8.155 -6.018 0.428 1.00 0.00 H ATOM 868 HB ILE A 55 10.869 -6.390 -0.942 1.00 0.00 H ATOM 869 HG12 ILE A 55 9.608 -4.192 0.747 1.00 0.00 H ATOM 870 HG13 ILE A 55 11.015 -5.204 1.149 1.00 0.00 H ATOM 871 HD11 ILE A 55 12.275 -4.201 -0.738 1.00 0.00 H ATOM 872 HD12 ILE A 55 10.867 -3.189 -1.140 1.00 0.00 H ATOM 873 HD13 ILE A 55 11.725 -2.949 0.401 1.00 0.00 H ATOM 874 HG21 ILE A 55 9.204 -5.781 -2.682 1.00 0.00 H ATOM 875 HG22 ILE A 55 8.668 -4.405 -1.687 1.00 0.00 H ATOM 876 HG23 ILE A 55 10.315 -4.426 -2.364 1.00 0.00 H ATOM 877 H ILE A 55 9.946 -8.480 0.379 1.00 0.00 H ATOM 878 N LYS A 56 6.871 -7.049 -1.388 1.00 0.76 N ATOM 879 CA LYS A 56 6.092 -7.691 -2.491 1.00 0.77 C ATOM 880 C LYS A 56 4.806 -6.901 -2.773 1.00 0.74 C ATOM 881 O LYS A 56 4.082 -6.534 -1.872 1.00 1.16 O ATOM 882 CB LYS A 56 5.778 -9.121 -2.014 1.00 0.87 C ATOM 883 CG LYS A 56 5.011 -9.093 -0.682 1.00 1.06 C ATOM 884 CD LYS A 56 3.656 -9.806 -0.836 1.00 1.35 C ATOM 885 CE LYS A 56 2.514 -8.812 -0.596 1.00 1.67 C ATOM 886 NZ LYS A 56 1.873 -9.252 0.679 1.00 2.58 N ATOM 887 HA LYS A 56 6.654 -7.707 -3.425 1.00 0.00 H ATOM 888 HB2 LYS A 56 5.171 -9.624 -2.766 1.00 0.00 H ATOM 889 HB3 LYS A 56 6.712 -9.666 -1.878 1.00 0.00 H ATOM 890 HG2 LYS A 56 5.600 -9.598 0.084 1.00 0.00 H ATOM 891 HG3 LYS A 56 4.842 -8.058 -0.385 1.00 0.00 H ATOM 892 HD2 LYS A 56 3.574 -10.215 -1.843 1.00 0.00 H ATOM 893 HD3 LYS A 56 3.589 -10.616 -0.110 1.00 0.00 H ATOM 894 HE2 LYS A 56 1.797 -8.847 -1.417 1.00 0.00 H ATOM 895 HE3 LYS A 56 2.903 -7.799 -0.499 1.00 0.00 H ATOM 896 HZ1 LYS A 56 1.518 -10.223 0.570 1.00 0.00 H ATOM 897 HZ2 LYS A 56 2.574 -9.222 1.447 1.00 0.00 H ATOM 898 HZ3 LYS A 56 1.082 -8.616 0.905 1.00 0.00 H ATOM 899 H LYS A 56 6.403 -6.385 -0.739 1.00 0.00 H ATOM 900 N HIS A 57 4.522 -6.644 -4.019 1.00 0.54 N ATOM 901 CA HIS A 57 3.281 -5.888 -4.380 1.00 0.52 C ATOM 902 C HIS A 57 2.788 -6.352 -5.754 1.00 0.65 C ATOM 903 O HIS A 57 3.548 -6.889 -6.537 1.00 0.98 O ATOM 904 CB HIS A 57 3.666 -4.394 -4.395 1.00 0.58 C ATOM 905 CG HIS A 57 5.006 -4.165 -5.058 1.00 0.97 C ATOM 906 ND1 HIS A 57 5.827 -3.111 -4.689 1.00 1.84 N ATOM 907 CD2 HIS A 57 5.679 -4.829 -6.057 1.00 1.41 C ATOM 908 CE1 HIS A 57 6.933 -3.168 -5.447 1.00 2.05 C ATOM 909 NE2 HIS A 57 6.897 -4.197 -6.300 1.00 1.73 N ATOM 910 HA HIS A 57 2.473 -6.059 -3.669 1.00 0.00 H ATOM 911 HB2 HIS A 57 2.903 -3.838 -4.940 1.00 0.00 H ATOM 912 HB3 HIS A 57 3.714 -4.031 -3.368 1.00 0.00 H ATOM 913 HD2 HIS A 57 5.315 -5.714 -6.579 1.00 0.00 H ATOM 914 HE1 HIS A 57 7.760 -2.461 -5.376 1.00 0.00 H ATOM 915 H HIS A 57 5.164 -6.967 -4.770 1.00 0.00 H ATOM 916 N CYS A 58 1.530 -6.167 -6.054 1.00 0.61 N ATOM 917 CA CYS A 58 1.014 -6.623 -7.383 1.00 0.79 C ATOM 918 C CYS A 58 -0.212 -5.797 -7.824 1.00 0.70 C ATOM 919 O CYS A 58 -0.389 -4.672 -7.398 1.00 0.58 O ATOM 920 CB CYS A 58 0.653 -8.094 -7.172 1.00 1.02 C ATOM 921 SG CYS A 58 2.089 -9.150 -7.502 1.00 1.51 S ATOM 922 HA CYS A 58 1.750 -6.492 -8.177 1.00 0.00 H ATOM 923 HB2 CYS A 58 -0.157 -8.366 -7.849 1.00 0.00 H ATOM 924 HB3 CYS A 58 0.328 -8.240 -6.142 1.00 0.00 H ATOM 925 HG CYS A 58 3.115 -8.810 -6.644 1.00 0.00 H ATOM 926 H CYS A 58 0.892 -5.706 -5.374 1.00 0.00 H ATOM 927 N ARG A 59 -1.042 -6.337 -8.698 1.00 0.85 N ATOM 928 CA ARG A 59 -2.227 -5.563 -9.193 1.00 0.80 C ATOM 929 C ARG A 59 -3.518 -5.850 -8.401 1.00 0.71 C ATOM 930 O ARG A 59 -3.812 -6.960 -8.018 1.00 0.80 O ATOM 931 CB ARG A 59 -2.371 -5.964 -10.677 1.00 0.93 C ATOM 932 CG ARG A 59 -3.800 -6.435 -11.007 1.00 1.00 C ATOM 933 CD ARG A 59 -3.797 -7.932 -11.300 1.00 1.20 C ATOM 934 NE ARG A 59 -5.242 -8.305 -11.318 1.00 1.18 N ATOM 935 CZ ARG A 59 -5.754 -8.894 -12.351 1.00 1.71 C ATOM 936 NH1 ARG A 59 -5.660 -10.163 -12.508 1.00 2.43 N ATOM 937 NH2 ARG A 59 -6.381 -8.216 -13.248 1.00 2.37 N ATOM 938 HA ARG A 59 -2.071 -4.492 -9.062 1.00 0.00 H ATOM 939 HB2 ARG A 59 -2.130 -5.103 -11.300 1.00 0.00 H ATOM 940 HB3 ARG A 59 -1.674 -6.773 -10.893 1.00 0.00 H ATOM 941 HG2 ARG A 59 -4.453 -6.234 -10.158 1.00 0.00 H ATOM 942 HG3 ARG A 59 -4.166 -5.896 -11.881 1.00 0.00 H ATOM 943 HD2 ARG A 59 -3.266 -8.478 -10.520 1.00 0.00 H ATOM 944 HD3 ARG A 59 -3.333 -8.136 -12.265 1.00 0.00 H ATOM 945 HE ARG A 59 -5.841 -8.090 -10.496 1.00 0.00 H ATOM 946 HH12 ARG A 59 -6.079 -10.616 -13.345 1.00 0.00 H ATOM 947 HH11 ARG A 59 -5.165 -10.740 -11.798 1.00 0.00 H ATOM 948 HH22 ARG A 59 -6.789 -8.699 -14.074 1.00 0.00 H ATOM 949 HH21 ARG A 59 -6.480 -7.186 -13.146 1.00 0.00 H ATOM 950 H ARG A 59 -0.873 -7.303 -9.044 1.00 0.00 H ATOM 951 N VAL A 60 -4.295 -4.822 -8.208 1.00 0.68 N ATOM 952 CA VAL A 60 -5.599 -4.918 -7.500 1.00 0.65 C ATOM 953 C VAL A 60 -6.718 -4.625 -8.516 1.00 0.60 C ATOM 954 O VAL A 60 -6.588 -3.740 -9.350 1.00 0.60 O ATOM 955 CB VAL A 60 -5.513 -3.837 -6.394 1.00 0.66 C ATOM 956 CG1 VAL A 60 -6.739 -2.909 -6.406 1.00 1.16 C ATOM 957 CG2 VAL A 60 -5.436 -4.518 -5.029 1.00 1.29 C ATOM 958 HA VAL A 60 -5.810 -5.896 -7.067 1.00 0.00 H ATOM 959 HB VAL A 60 -4.623 -3.238 -6.585 1.00 0.00 H ATOM 960 HG11 VAL A 60 -6.804 -2.407 -7.371 1.00 0.00 H ATOM 961 HG12 VAL A 60 -7.641 -3.498 -6.240 1.00 0.00 H ATOM 962 HG13 VAL A 60 -6.638 -2.166 -5.615 1.00 0.00 H ATOM 963 HG21 VAL A 60 -6.327 -5.127 -4.877 1.00 0.00 H ATOM 964 HG22 VAL A 60 -4.550 -5.152 -4.990 1.00 0.00 H ATOM 965 HG23 VAL A 60 -5.375 -3.759 -4.249 1.00 0.00 H ATOM 966 H VAL A 60 -3.990 -3.894 -8.565 1.00 0.00 H ATOM 967 N GLN A 61 -7.807 -5.346 -8.455 1.00 0.63 N ATOM 968 CA GLN A 61 -8.927 -5.099 -9.418 1.00 0.64 C ATOM 969 C GLN A 61 -9.881 -4.037 -8.849 1.00 0.62 C ATOM 970 O GLN A 61 -10.487 -4.223 -7.811 1.00 0.71 O ATOM 971 CB GLN A 61 -9.636 -6.453 -9.573 1.00 0.74 C ATOM 972 CG GLN A 61 -9.311 -7.053 -10.947 1.00 1.18 C ATOM 973 CD GLN A 61 -9.277 -8.580 -10.845 1.00 1.75 C ATOM 974 OE1 GLN A 61 -8.235 -9.182 -10.996 1.00 2.05 O ATOM 975 NE2 GLN A 61 -10.373 -9.237 -10.595 1.00 2.52 N ATOM 976 HA GLN A 61 -8.575 -4.725 -10.379 1.00 0.00 H ATOM 977 HB2 GLN A 61 -9.296 -7.132 -8.791 1.00 0.00 H ATOM 978 HB3 GLN A 61 -10.713 -6.310 -9.485 1.00 0.00 H ATOM 979 HG2 GLN A 61 -10.076 -6.754 -11.664 1.00 0.00 H ATOM 980 HG3 GLN A 61 -8.339 -6.690 -11.281 1.00 0.00 H ATOM 981 HE22 GLN A 61 -11.268 -8.724 -10.465 1.00 0.00 H ATOM 982 HE21 GLN A 61 -10.353 -10.274 -10.525 1.00 0.00 H ATOM 983 H GLN A 61 -7.896 -6.092 -7.736 1.00 0.00 H ATOM 984 N GLN A 62 -10.010 -2.920 -9.516 1.00 0.66 N ATOM 985 CA GLN A 62 -10.914 -1.841 -9.010 1.00 0.71 C ATOM 986 C GLN A 62 -12.241 -1.818 -9.786 1.00 0.81 C ATOM 987 O GLN A 62 -12.265 -1.846 -11.002 1.00 0.87 O ATOM 988 CB GLN A 62 -10.139 -0.529 -9.215 1.00 0.78 C ATOM 989 CG GLN A 62 -10.112 -0.148 -10.704 1.00 0.86 C ATOM 990 CD GLN A 62 -9.045 0.921 -10.940 1.00 1.28 C ATOM 991 OE1 GLN A 62 -8.040 0.670 -11.576 1.00 1.53 O ATOM 992 NE2 GLN A 62 -9.220 2.114 -10.452 1.00 1.69 N ATOM 993 HA GLN A 62 -11.177 -1.998 -7.964 1.00 0.00 H ATOM 994 HB2 GLN A 62 -10.624 0.267 -8.649 1.00 0.00 H ATOM 995 HB3 GLN A 62 -9.117 -0.656 -8.858 1.00 0.00 H ATOM 996 HG2 GLN A 62 -9.880 -1.030 -11.300 1.00 0.00 H ATOM 997 HG3 GLN A 62 -11.087 0.241 -10.997 1.00 0.00 H ATOM 998 HE22 GLN A 62 -10.079 2.332 -9.907 1.00 0.00 H ATOM 999 HE21 GLN A 62 -8.501 2.850 -10.606 1.00 0.00 H ATOM 1000 H GLN A 62 -9.482 -2.781 -10.401 1.00 0.00 H ATOM 1001 N GLU A 63 -13.337 -1.749 -9.080 1.00 0.90 N ATOM 1002 CA GLU A 63 -14.673 -1.697 -9.744 1.00 1.04 C ATOM 1003 C GLU A 63 -15.410 -0.434 -9.269 1.00 1.09 C ATOM 1004 O GLU A 63 -15.283 -0.032 -8.124 1.00 1.02 O ATOM 1005 CB GLU A 63 -15.383 -2.989 -9.304 1.00 1.08 C ATOM 1006 CG GLU A 63 -16.916 -2.810 -9.332 1.00 1.57 C ATOM 1007 CD GLU A 63 -17.443 -2.768 -10.777 1.00 2.24 C ATOM 1008 OE1 GLU A 63 -16.641 -2.663 -11.692 1.00 2.68 O ATOM 1009 OE2 GLU A 63 -18.649 -2.833 -10.938 1.00 2.84 O ATOM 1010 HA GLU A 63 -14.625 -1.641 -10.832 1.00 0.00 H ATOM 1011 HB2 GLU A 63 -15.105 -3.798 -9.980 1.00 0.00 H ATOM 1012 HB3 GLU A 63 -15.071 -3.241 -8.290 1.00 0.00 H ATOM 1013 HG2 GLU A 63 -17.382 -3.644 -8.807 1.00 0.00 H ATOM 1014 HG3 GLU A 63 -17.175 -1.877 -8.831 1.00 0.00 H ATOM 1015 H GLU A 63 -13.279 -1.730 -8.042 1.00 0.00 H ATOM 1016 N GLY A 64 -16.156 0.206 -10.144 1.00 1.29 N ATOM 1017 CA GLY A 64 -16.890 1.469 -9.765 1.00 1.40 C ATOM 1018 C GLY A 64 -17.981 1.189 -8.718 1.00 1.30 C ATOM 1019 O GLY A 64 -19.135 1.526 -8.903 1.00 1.38 O ATOM 1020 HA3 GLY A 64 -17.353 1.892 -10.656 1.00 0.00 H ATOM 1021 HA2 GLY A 64 -16.178 2.184 -9.353 1.00 0.00 H ATOM 1022 H GLY A 64 -16.241 -0.164 -11.112 1.00 0.00 H ATOM 1023 N GLN A 65 -17.601 0.593 -7.617 1.00 1.21 N ATOM 1024 CA GLN A 65 -18.558 0.272 -6.504 1.00 1.28 C ATOM 1025 C GLN A 65 -17.812 -0.498 -5.400 1.00 1.25 C ATOM 1026 O GLN A 65 -18.048 -0.304 -4.222 1.00 1.41 O ATOM 1027 CB GLN A 65 -19.660 -0.611 -7.121 1.00 1.36 C ATOM 1028 CG GLN A 65 -20.786 -0.828 -6.094 1.00 1.53 C ATOM 1029 CD GLN A 65 -21.769 -1.889 -6.605 1.00 1.89 C ATOM 1030 OE1 GLN A 65 -22.943 -1.623 -6.748 1.00 2.23 O ATOM 1031 NE2 GLN A 65 -21.345 -3.089 -6.884 1.00 2.40 N ATOM 1032 HA GLN A 65 -18.984 1.172 -6.060 1.00 0.00 H ATOM 1033 HB2 GLN A 65 -20.066 -0.120 -8.006 1.00 0.00 H ATOM 1034 HB3 GLN A 65 -19.237 -1.575 -7.404 1.00 0.00 H ATOM 1035 HG2 GLN A 65 -20.354 -1.161 -5.150 1.00 0.00 H ATOM 1036 HG3 GLN A 65 -21.318 0.111 -5.938 1.00 0.00 H ATOM 1037 HE22 GLN A 65 -20.339 -3.326 -6.764 1.00 0.00 H ATOM 1038 HE21 GLN A 65 -22.012 -3.810 -7.226 1.00 0.00 H ATOM 1039 H GLN A 65 -16.600 0.332 -7.508 1.00 0.00 H ATOM 1040 N THR A 66 -16.909 -1.377 -5.778 1.00 1.11 N ATOM 1041 CA THR A 66 -16.145 -2.165 -4.758 1.00 1.14 C ATOM 1042 C THR A 66 -14.816 -2.668 -5.345 1.00 1.04 C ATOM 1043 O THR A 66 -14.798 -3.515 -6.214 1.00 1.41 O ATOM 1044 CB THR A 66 -17.053 -3.353 -4.415 1.00 1.28 C ATOM 1045 OG1 THR A 66 -18.285 -2.887 -3.870 1.00 1.39 O ATOM 1046 CG2 THR A 66 -16.357 -4.250 -3.392 1.00 1.64 C ATOM 1047 HA THR A 66 -15.897 -1.564 -3.883 1.00 0.00 H ATOM 1048 HB THR A 66 -17.254 -3.918 -5.325 1.00 0.00 H ATOM 1049 HG1 THR A 66 -18.741 -2.310 -4.533 1.00 0.00 H ATOM 1050 HG23 THR A 66 -15.414 -4.608 -3.806 1.00 0.00 H ATOM 1051 HG21 THR A 66 -16.163 -3.680 -2.483 1.00 0.00 H ATOM 1052 HG22 THR A 66 -16.999 -5.100 -3.159 1.00 0.00 H ATOM 1053 H THR A 66 -16.724 -1.526 -6.791 1.00 0.00 H ATOM 1054 N VAL A 67 -13.704 -2.172 -4.868 1.00 0.75 N ATOM 1055 CA VAL A 67 -12.385 -2.652 -5.398 1.00 0.67 C ATOM 1056 C VAL A 67 -12.083 -4.051 -4.835 1.00 0.68 C ATOM 1057 O VAL A 67 -12.553 -4.422 -3.774 1.00 0.77 O ATOM 1058 CB VAL A 67 -11.347 -1.621 -4.928 1.00 0.68 C ATOM 1059 CG1 VAL A 67 -9.944 -2.061 -5.359 1.00 0.74 C ATOM 1060 CG2 VAL A 67 -11.655 -0.264 -5.566 1.00 0.70 C ATOM 1061 HA VAL A 67 -12.377 -2.738 -6.485 1.00 0.00 H ATOM 1062 HB VAL A 67 -11.389 -1.543 -3.842 1.00 0.00 H ATOM 1063 HG11 VAL A 67 -9.716 -3.030 -4.915 1.00 0.00 H ATOM 1064 HG12 VAL A 67 -9.907 -2.140 -6.446 1.00 0.00 H ATOM 1065 HG13 VAL A 67 -9.214 -1.325 -5.022 1.00 0.00 H ATOM 1066 HG21 VAL A 67 -11.612 -0.356 -6.651 1.00 0.00 H ATOM 1067 HG22 VAL A 67 -12.652 0.059 -5.266 1.00 0.00 H ATOM 1068 HG23 VAL A 67 -10.919 0.468 -5.233 1.00 0.00 H ATOM 1069 H VAL A 67 -13.734 -1.447 -4.123 1.00 0.00 H ATOM 1070 N MET A 68 -11.325 -4.842 -5.542 1.00 0.68 N ATOM 1071 CA MET A 68 -11.023 -6.218 -5.045 1.00 0.75 C ATOM 1072 C MET A 68 -9.535 -6.560 -5.219 1.00 0.74 C ATOM 1073 O MET A 68 -8.922 -6.246 -6.226 1.00 0.80 O ATOM 1074 CB MET A 68 -11.896 -7.138 -5.905 1.00 0.90 C ATOM 1075 CG MET A 68 -11.895 -8.553 -5.314 1.00 1.49 C ATOM 1076 SD MET A 68 -11.966 -9.775 -6.652 1.00 1.97 S ATOM 1077 CE MET A 68 -13.691 -10.283 -6.427 1.00 2.68 C ATOM 1078 HA MET A 68 -11.231 -6.322 -3.980 1.00 0.00 H ATOM 1079 HB2 MET A 68 -12.916 -6.754 -5.926 1.00 0.00 H ATOM 1080 HB3 MET A 68 -11.500 -7.169 -6.920 1.00 0.00 H ATOM 1081 HG2 MET A 68 -12.762 -8.675 -4.665 1.00 0.00 H ATOM 1082 HG3 MET A 68 -10.984 -8.703 -4.734 1.00 0.00 H ATOM 1083 HE1 MET A 68 -13.821 -10.690 -5.424 1.00 0.00 H ATOM 1084 HE2 MET A 68 -14.343 -9.419 -6.557 1.00 0.00 H ATOM 1085 HE3 MET A 68 -13.943 -11.045 -7.165 1.00 0.00 H ATOM 1086 H MET A 68 -10.932 -4.516 -6.448 1.00 0.00 H ATOM 1087 N LEU A 69 -8.959 -7.217 -4.246 1.00 0.75 N ATOM 1088 CA LEU A 69 -7.520 -7.603 -4.345 1.00 0.84 C ATOM 1089 C LEU A 69 -7.397 -9.071 -4.784 1.00 0.92 C ATOM 1090 O LEU A 69 -8.385 -9.759 -4.965 1.00 0.92 O ATOM 1091 CB LEU A 69 -6.950 -7.410 -2.936 1.00 0.92 C ATOM 1092 CG LEU A 69 -5.485 -6.978 -3.042 1.00 1.10 C ATOM 1093 CD1 LEU A 69 -5.247 -5.723 -2.206 1.00 1.67 C ATOM 1094 CD2 LEU A 69 -4.584 -8.099 -2.530 1.00 1.41 C ATOM 1095 HA LEU A 69 -6.983 -7.004 -5.080 1.00 0.00 H ATOM 1096 HB2 LEU A 69 -7.520 -6.642 -2.413 1.00 0.00 H ATOM 1097 HB3 LEU A 69 -7.015 -8.348 -2.384 1.00 0.00 H ATOM 1098 HG LEU A 69 -5.254 -6.765 -4.086 1.00 0.00 H ATOM 1099 HD21 LEU A 69 -4.826 -8.311 -1.489 1.00 0.00 H ATOM 1100 HD22 LEU A 69 -4.743 -8.994 -3.131 1.00 0.00 H ATOM 1101 HD23 LEU A 69 -3.542 -7.789 -2.606 1.00 0.00 H ATOM 1102 HD11 LEU A 69 -5.885 -4.918 -2.571 1.00 0.00 H ATOM 1103 HD12 LEU A 69 -5.485 -5.932 -1.163 1.00 0.00 H ATOM 1104 HD13 LEU A 69 -4.202 -5.425 -2.289 1.00 0.00 H ATOM 1105 H LEU A 69 -9.506 -7.472 -3.399 1.00 0.00 H ATOM 1106 N GLY A 70 -6.190 -9.553 -4.958 1.00 1.06 N ATOM 1107 CA GLY A 70 -5.984 -10.978 -5.392 1.00 1.21 C ATOM 1108 C GLY A 70 -6.337 -11.961 -4.259 1.00 1.25 C ATOM 1109 O GLY A 70 -5.563 -12.839 -3.940 1.00 1.37 O ATOM 1110 HA3 GLY A 70 -4.940 -11.118 -5.672 1.00 0.00 H ATOM 1111 HA2 GLY A 70 -6.620 -11.184 -6.253 1.00 0.00 H ATOM 1112 H GLY A 70 -5.365 -8.942 -4.794 1.00 0.00 H ATOM 1113 N ASN A 71 -7.507 -11.833 -3.672 1.00 1.31 N ATOM 1114 CA ASN A 71 -7.938 -12.770 -2.568 1.00 1.43 C ATOM 1115 C ASN A 71 -9.289 -12.330 -1.975 1.00 1.38 C ATOM 1116 O ASN A 71 -10.113 -13.153 -1.635 1.00 1.70 O ATOM 1117 CB ASN A 71 -6.837 -12.706 -1.484 1.00 1.77 C ATOM 1118 CG ASN A 71 -7.144 -13.665 -0.314 1.00 2.47 C ATOM 1119 OD1 ASN A 71 -7.858 -14.635 -0.469 1.00 3.20 O ATOM 1120 ND2 ASN A 71 -6.620 -13.435 0.863 1.00 2.93 N ATOM 1121 HA ASN A 71 -8.066 -13.783 -2.948 1.00 0.00 H ATOM 1122 HB2 ASN A 71 -5.882 -12.985 -1.930 1.00 0.00 H ATOM 1123 HB3 ASN A 71 -6.774 -11.687 -1.101 1.00 0.00 H ATOM 1124 HD22 ASN A 71 -6.007 -12.607 1.007 1.00 0.00 H ATOM 1125 HD21 ASN A 71 -6.816 -14.080 1.655 1.00 0.00 H ATOM 1126 H ASN A 71 -8.148 -11.072 -3.974 1.00 0.00 H ATOM 1127 N SER A 72 -9.519 -11.045 -1.818 1.00 1.23 N ATOM 1128 CA SER A 72 -10.814 -10.601 -1.208 1.00 1.40 C ATOM 1129 C SER A 72 -11.331 -9.278 -1.797 1.00 1.19 C ATOM 1130 O SER A 72 -10.616 -8.537 -2.452 1.00 1.05 O ATOM 1131 CB SER A 72 -10.491 -10.423 0.278 1.00 1.81 C ATOM 1132 OG SER A 72 -10.703 -11.658 0.954 1.00 2.24 O ATOM 1133 HA SER A 72 -11.603 -11.328 -1.401 1.00 0.00 H ATOM 1134 HB2 SER A 72 -11.140 -9.658 0.704 1.00 0.00 H ATOM 1135 HB3 SER A 72 -9.450 -10.119 0.391 1.00 0.00 H ATOM 1136 HG SER A 72 -10.112 -12.351 0.566 1.00 0.00 H ATOM 1137 H SER A 72 -8.810 -10.344 -2.114 1.00 0.00 H ATOM 1138 N GLU A 73 -12.584 -8.990 -1.531 1.00 1.25 N ATOM 1139 CA GLU A 73 -13.226 -7.723 -2.014 1.00 1.11 C ATOM 1140 C GLU A 73 -12.997 -6.610 -0.977 1.00 1.03 C ATOM 1141 O GLU A 73 -13.011 -6.861 0.213 1.00 1.33 O ATOM 1142 CB GLU A 73 -14.721 -8.066 -2.111 1.00 1.35 C ATOM 1143 CG GLU A 73 -15.196 -7.942 -3.569 1.00 1.70 C ATOM 1144 CD GLU A 73 -15.749 -9.281 -4.073 1.00 2.33 C ATOM 1145 OE1 GLU A 73 -15.240 -10.313 -3.663 1.00 2.90 O ATOM 1146 OE2 GLU A 73 -16.665 -9.249 -4.878 1.00 2.81 O ATOM 1147 HA GLU A 73 -12.823 -7.372 -2.964 1.00 0.00 H ATOM 1148 HB2 GLU A 73 -14.881 -9.087 -1.765 1.00 0.00 H ATOM 1149 HB3 GLU A 73 -15.291 -7.378 -1.486 1.00 0.00 H ATOM 1150 HG2 GLU A 73 -15.979 -7.186 -3.628 1.00 0.00 H ATOM 1151 HG3 GLU A 73 -14.356 -7.643 -4.195 1.00 0.00 H ATOM 1152 H GLU A 73 -13.148 -9.659 -0.969 1.00 0.00 H ATOM 1153 N PHE A 74 -12.778 -5.389 -1.402 1.00 0.82 N ATOM 1154 CA PHE A 74 -12.541 -4.293 -0.408 1.00 0.95 C ATOM 1155 C PHE A 74 -13.180 -2.966 -0.864 1.00 0.90 C ATOM 1156 O PHE A 74 -13.136 -2.601 -2.026 1.00 0.95 O ATOM 1157 CB PHE A 74 -11.016 -4.170 -0.335 1.00 1.11 C ATOM 1158 CG PHE A 74 -10.500 -4.929 0.872 1.00 1.35 C ATOM 1159 CD1 PHE A 74 -10.380 -4.279 2.101 1.00 1.90 C ATOM 1160 CD2 PHE A 74 -10.141 -6.277 0.761 1.00 1.83 C ATOM 1161 CE1 PHE A 74 -9.902 -4.968 3.222 1.00 2.42 C ATOM 1162 CE2 PHE A 74 -9.663 -6.970 1.884 1.00 2.31 C ATOM 1163 CZ PHE A 74 -9.543 -6.314 3.114 1.00 2.46 C ATOM 1164 HA PHE A 74 -12.990 -4.516 0.560 1.00 0.00 H ATOM 1165 HB2 PHE A 74 -10.575 -4.586 -1.241 1.00 0.00 H ATOM 1166 HB3 PHE A 74 -10.741 -3.119 -0.248 1.00 0.00 H ATOM 1167 HD2 PHE A 74 -10.233 -6.789 -0.197 1.00 0.00 H ATOM 1168 HE2 PHE A 74 -9.385 -8.020 1.798 1.00 0.00 H ATOM 1169 HZ PHE A 74 -9.170 -6.852 3.986 1.00 0.00 H ATOM 1170 HE1 PHE A 74 -9.810 -4.454 4.179 1.00 0.00 H ATOM 1171 HD1 PHE A 74 -10.660 -3.229 2.189 1.00 0.00 H ATOM 1172 H PHE A 74 -12.769 -5.183 -2.421 1.00 0.00 H ATOM 1173 N ASP A 75 -13.763 -2.235 0.052 1.00 0.90 N ATOM 1174 CA ASP A 75 -14.393 -0.929 -0.313 1.00 0.94 C ATOM 1175 C ASP A 75 -13.297 0.086 -0.674 1.00 0.86 C ATOM 1176 O ASP A 75 -12.832 0.840 0.163 1.00 1.24 O ATOM 1177 CB ASP A 75 -15.159 -0.493 0.941 1.00 1.14 C ATOM 1178 CG ASP A 75 -16.230 0.529 0.564 1.00 1.49 C ATOM 1179 OD1 ASP A 75 -15.874 1.675 0.347 1.00 2.14 O ATOM 1180 OD2 ASP A 75 -17.388 0.147 0.499 1.00 1.84 O ATOM 1181 HA ASP A 75 -15.055 -1.004 -1.176 1.00 0.00 H ATOM 1182 HB2 ASP A 75 -15.633 -1.363 1.397 1.00 0.00 H ATOM 1183 HB3 ASP A 75 -14.465 -0.045 1.652 1.00 0.00 H ATOM 1184 H ASP A 75 -13.788 -2.564 1.038 1.00 0.00 H ATOM 1185 N SER A 76 -12.871 0.087 -1.921 1.00 0.72 N ATOM 1186 CA SER A 76 -11.787 1.023 -2.371 1.00 0.80 C ATOM 1187 C SER A 76 -10.431 0.577 -1.779 1.00 0.75 C ATOM 1188 O SER A 76 -10.346 0.243 -0.614 1.00 1.39 O ATOM 1189 CB SER A 76 -12.210 2.401 -1.849 1.00 0.97 C ATOM 1190 OG SER A 76 -11.593 3.402 -2.632 1.00 1.74 O ATOM 1191 HA SER A 76 -11.660 1.037 -3.453 1.00 0.00 H ATOM 1192 HB2 SER A 76 -11.901 2.508 -0.809 1.00 0.00 H ATOM 1193 HB3 SER A 76 -13.293 2.500 -1.917 1.00 0.00 H ATOM 1194 HG SER A 76 -10.609 3.309 -2.569 1.00 0.00 H ATOM 1195 H SER A 76 -13.293 -0.572 -2.606 1.00 0.00 H ATOM 1196 N LEU A 77 -9.371 0.552 -2.573 1.00 0.82 N ATOM 1197 CA LEU A 77 -8.019 0.105 -2.047 1.00 0.66 C ATOM 1198 C LEU A 77 -7.773 0.645 -0.633 1.00 0.62 C ATOM 1199 O LEU A 77 -7.238 -0.041 0.220 1.00 0.61 O ATOM 1200 CB LEU A 77 -6.970 0.673 -3.016 1.00 0.81 C ATOM 1201 CG LEU A 77 -6.553 -0.402 -4.025 1.00 0.66 C ATOM 1202 CD1 LEU A 77 -6.586 0.190 -5.432 1.00 0.80 C ATOM 1203 CD2 LEU A 77 -5.129 -0.885 -3.726 1.00 1.01 C ATOM 1204 HA LEU A 77 -7.968 -0.982 -1.988 1.00 0.00 H ATOM 1205 HB2 LEU A 77 -7.394 1.524 -3.549 1.00 0.00 H ATOM 1206 HB3 LEU A 77 -6.096 0.998 -2.452 1.00 0.00 H ATOM 1207 HG LEU A 77 -7.243 -1.243 -3.951 1.00 0.00 H ATOM 1208 HD21 LEU A 77 -4.439 -0.044 -3.795 1.00 0.00 H ATOM 1209 HD22 LEU A 77 -5.093 -1.305 -2.721 1.00 0.00 H ATOM 1210 HD23 LEU A 77 -4.846 -1.648 -4.451 1.00 0.00 H ATOM 1211 HD11 LEU A 77 -7.596 0.532 -5.657 1.00 0.00 H ATOM 1212 HD12 LEU A 77 -5.896 1.032 -5.487 1.00 0.00 H ATOM 1213 HD13 LEU A 77 -6.290 -0.572 -6.153 1.00 0.00 H ATOM 1214 H LEU A 77 -9.466 0.842 -3.567 1.00 0.00 H ATOM 1215 N VAL A 78 -8.177 1.865 -0.380 1.00 0.65 N ATOM 1216 CA VAL A 78 -7.993 2.465 0.976 1.00 0.67 C ATOM 1217 C VAL A 78 -8.483 1.509 2.076 1.00 0.60 C ATOM 1218 O VAL A 78 -7.931 1.489 3.154 1.00 0.61 O ATOM 1219 CB VAL A 78 -8.836 3.748 0.970 1.00 0.75 C ATOM 1220 CG1 VAL A 78 -10.268 3.435 0.526 1.00 1.12 C ATOM 1221 CG2 VAL A 78 -8.875 4.336 2.382 1.00 1.26 C ATOM 1222 HA VAL A 78 -6.942 2.664 1.184 1.00 0.00 H ATOM 1223 HB VAL A 78 -8.389 4.461 0.278 1.00 0.00 H ATOM 1224 HG11 VAL A 78 -10.251 3.013 -0.479 1.00 0.00 H ATOM 1225 HG12 VAL A 78 -10.712 2.718 1.216 1.00 0.00 H ATOM 1226 HG13 VAL A 78 -10.856 4.353 0.526 1.00 0.00 H ATOM 1227 HG21 VAL A 78 -9.319 3.611 3.064 1.00 0.00 H ATOM 1228 HG22 VAL A 78 -7.860 4.568 2.706 1.00 0.00 H ATOM 1229 HG23 VAL A 78 -9.473 5.247 2.378 1.00 0.00 H ATOM 1230 H VAL A 78 -8.631 2.422 -1.131 1.00 0.00 H ATOM 1231 N ASP A 79 -9.508 0.724 1.818 1.00 0.58 N ATOM 1232 CA ASP A 79 -10.023 -0.220 2.862 1.00 0.57 C ATOM 1233 C ASP A 79 -8.918 -1.213 3.285 1.00 0.55 C ATOM 1234 O ASP A 79 -8.417 -1.142 4.397 1.00 0.53 O ATOM 1235 CB ASP A 79 -11.217 -0.924 2.191 1.00 0.70 C ATOM 1236 CG ASP A 79 -12.034 -1.733 3.208 1.00 1.17 C ATOM 1237 OD1 ASP A 79 -11.863 -1.524 4.399 1.00 1.81 O ATOM 1238 OD2 ASP A 79 -12.826 -2.553 2.768 1.00 1.75 O ATOM 1239 HA ASP A 79 -10.326 0.283 3.780 1.00 0.00 H ATOM 1240 HB2 ASP A 79 -11.862 -0.173 1.735 1.00 0.00 H ATOM 1241 HB3 ASP A 79 -10.844 -1.597 1.419 1.00 0.00 H ATOM 1242 H ASP A 79 -9.963 0.759 0.884 1.00 0.00 H ATOM 1243 N LEU A 80 -8.520 -2.127 2.419 1.00 0.63 N ATOM 1244 CA LEU A 80 -7.432 -3.098 2.812 1.00 0.67 C ATOM 1245 C LEU A 80 -6.171 -2.334 3.245 1.00 0.62 C ATOM 1246 O LEU A 80 -5.510 -2.706 4.200 1.00 0.65 O ATOM 1247 CB LEU A 80 -7.136 -4.038 1.611 1.00 0.79 C ATOM 1248 CG LEU A 80 -7.215 -3.331 0.246 1.00 0.87 C ATOM 1249 CD1 LEU A 80 -5.824 -2.887 -0.196 1.00 1.09 C ATOM 1250 CD2 LEU A 80 -7.759 -4.318 -0.786 1.00 1.12 C ATOM 1251 HA LEU A 80 -7.760 -3.701 3.659 1.00 0.00 H ATOM 1252 HB2 LEU A 80 -6.133 -4.447 1.731 1.00 0.00 H ATOM 1253 HB3 LEU A 80 -7.862 -4.851 1.622 1.00 0.00 H ATOM 1254 HG LEU A 80 -7.865 -2.460 0.330 1.00 0.00 H ATOM 1255 HD21 LEU A 80 -7.092 -5.178 -0.852 1.00 0.00 H ATOM 1256 HD22 LEU A 80 -8.752 -4.649 -0.482 1.00 0.00 H ATOM 1257 HD23 LEU A 80 -7.820 -3.829 -1.758 1.00 0.00 H ATOM 1258 HD11 LEU A 80 -5.413 -2.198 0.541 1.00 0.00 H ATOM 1259 HD12 LEU A 80 -5.176 -3.759 -0.281 1.00 0.00 H ATOM 1260 HD13 LEU A 80 -5.893 -2.388 -1.163 1.00 0.00 H ATOM 1261 H LEU A 80 -8.952 -2.178 1.474 1.00 0.00 H ATOM 1262 N ILE A 81 -5.850 -1.248 2.586 1.00 0.58 N ATOM 1263 CA ILE A 81 -4.654 -0.455 3.011 1.00 0.59 C ATOM 1264 C ILE A 81 -4.923 0.113 4.412 1.00 0.64 C ATOM 1265 O ILE A 81 -4.102 -0.004 5.300 1.00 0.71 O ATOM 1266 CB ILE A 81 -4.486 0.657 1.966 1.00 0.60 C ATOM 1267 CG1 ILE A 81 -4.335 0.040 0.574 1.00 0.62 C ATOM 1268 CG2 ILE A 81 -3.225 1.461 2.270 1.00 0.68 C ATOM 1269 CD1 ILE A 81 -3.024 -0.748 0.498 1.00 0.65 C ATOM 1270 HA ILE A 81 -3.742 -1.050 3.066 1.00 0.00 H ATOM 1271 HB ILE A 81 -5.363 1.303 1.998 1.00 0.00 H ATOM 1272 HG12 ILE A 81 -5.173 -0.630 0.382 1.00 0.00 H ATOM 1273 HG13 ILE A 81 -4.326 0.832 -0.175 1.00 0.00 H ATOM 1274 HD11 ILE A 81 -2.187 -0.077 0.689 1.00 0.00 H ATOM 1275 HD12 ILE A 81 -3.034 -1.541 1.246 1.00 0.00 H ATOM 1276 HD13 ILE A 81 -2.921 -1.185 -0.495 1.00 0.00 H ATOM 1277 HG21 ILE A 81 -3.309 1.906 3.262 1.00 0.00 H ATOM 1278 HG22 ILE A 81 -2.358 0.801 2.239 1.00 0.00 H ATOM 1279 HG23 ILE A 81 -3.110 2.249 1.526 1.00 0.00 H ATOM 1280 H ILE A 81 -6.422 -0.939 1.774 1.00 0.00 H ATOM 1281 N SER A 82 -6.091 0.679 4.631 1.00 0.64 N ATOM 1282 CA SER A 82 -6.429 1.199 5.994 1.00 0.72 C ATOM 1283 C SER A 82 -6.279 0.059 7.002 1.00 0.74 C ATOM 1284 O SER A 82 -5.729 0.233 8.076 1.00 0.78 O ATOM 1285 CB SER A 82 -7.886 1.648 5.915 1.00 0.81 C ATOM 1286 OG SER A 82 -7.970 2.858 5.168 1.00 1.26 O ATOM 1287 HA SER A 82 -5.782 2.019 6.305 1.00 0.00 H ATOM 1288 HB2 SER A 82 -8.270 1.814 6.921 1.00 0.00 H ATOM 1289 HB3 SER A 82 -8.478 0.876 5.424 1.00 0.00 H ATOM 1290 HG SER A 82 -7.621 2.705 4.254 1.00 0.00 H ATOM 1291 H SER A 82 -6.780 0.765 3.857 1.00 0.00 H ATOM 1292 N TYR A 83 -6.733 -1.123 6.638 1.00 0.72 N ATOM 1293 CA TYR A 83 -6.576 -2.304 7.544 1.00 0.78 C ATOM 1294 C TYR A 83 -5.085 -2.454 7.878 1.00 0.78 C ATOM 1295 O TYR A 83 -4.708 -2.683 9.014 1.00 0.86 O ATOM 1296 CB TYR A 83 -7.049 -3.519 6.725 1.00 0.80 C ATOM 1297 CG TYR A 83 -8.334 -4.107 7.292 1.00 1.19 C ATOM 1298 CD1 TYR A 83 -8.306 -4.864 8.471 1.00 1.77 C ATOM 1299 CD2 TYR A 83 -9.551 -3.912 6.624 1.00 1.97 C ATOM 1300 CE1 TYR A 83 -9.493 -5.425 8.977 1.00 2.34 C ATOM 1301 CE2 TYR A 83 -10.735 -4.477 7.130 1.00 2.57 C ATOM 1302 CZ TYR A 83 -10.705 -5.230 8.307 1.00 2.54 C ATOM 1303 OH TYR A 83 -11.869 -5.786 8.808 1.00 3.27 O ATOM 1304 HA TYR A 83 -7.140 -2.205 8.472 1.00 0.00 H ATOM 1305 HB3 TYR A 83 -6.272 -4.283 6.742 1.00 0.00 H ATOM 1306 HB2 TYR A 83 -7.226 -3.206 5.696 1.00 0.00 H ATOM 1307 HD2 TYR A 83 -9.580 -3.320 5.709 1.00 0.00 H ATOM 1308 HE2 TYR A 83 -11.678 -4.327 6.604 1.00 0.00 H ATOM 1309 HE1 TYR A 83 -9.468 -6.013 9.894 1.00 0.00 H ATOM 1310 HD1 TYR A 83 -7.364 -5.018 8.997 1.00 0.00 H ATOM 1311 HH TYR A 83 -11.665 -6.282 9.640 1.00 0.00 H ATOM 1312 H TYR A 83 -7.203 -1.236 5.717 1.00 0.00 H ATOM 1313 N TYR A 84 -4.237 -2.309 6.880 1.00 0.72 N ATOM 1314 CA TYR A 84 -2.766 -2.430 7.110 1.00 0.76 C ATOM 1315 C TYR A 84 -2.294 -1.375 8.105 1.00 0.79 C ATOM 1316 O TYR A 84 -1.606 -1.688 9.052 1.00 0.91 O ATOM 1317 CB TYR A 84 -2.106 -2.251 5.735 1.00 0.77 C ATOM 1318 CG TYR A 84 -1.564 -3.595 5.314 1.00 0.99 C ATOM 1319 CD1 TYR A 84 -0.694 -4.281 6.168 1.00 1.44 C ATOM 1320 CD2 TYR A 84 -1.952 -4.173 4.102 1.00 1.63 C ATOM 1321 CE1 TYR A 84 -0.214 -5.544 5.817 1.00 1.91 C ATOM 1322 CE2 TYR A 84 -1.463 -5.438 3.749 1.00 2.09 C ATOM 1323 CZ TYR A 84 -0.595 -6.122 4.611 1.00 2.06 C ATOM 1324 OH TYR A 84 -0.125 -7.374 4.278 1.00 2.66 O ATOM 1325 HA TYR A 84 -2.500 -3.395 7.541 1.00 0.00 H ATOM 1326 HB3 TYR A 84 -1.294 -1.527 5.803 1.00 0.00 H ATOM 1327 HB2 TYR A 84 -2.842 -1.903 5.011 1.00 0.00 H ATOM 1328 HD2 TYR A 84 -2.631 -3.643 3.435 1.00 0.00 H ATOM 1329 HE2 TYR A 84 -1.758 -5.891 2.802 1.00 0.00 H ATOM 1330 HE1 TYR A 84 0.459 -6.077 6.488 1.00 0.00 H ATOM 1331 HD1 TYR A 84 -0.390 -3.828 7.111 1.00 0.00 H ATOM 1332 HH TYR A 84 -0.889 -7.994 4.171 1.00 0.00 H ATOM 1333 H TYR A 84 -4.595 -2.109 5.924 1.00 0.00 H ATOM 1334 N GLU A 85 -2.670 -0.135 7.927 1.00 0.73 N ATOM 1335 CA GLU A 85 -2.243 0.905 8.914 1.00 0.83 C ATOM 1336 C GLU A 85 -2.725 0.507 10.302 1.00 0.90 C ATOM 1337 O GLU A 85 -1.986 0.522 11.275 1.00 1.05 O ATOM 1338 CB GLU A 85 -2.940 2.198 8.521 1.00 0.83 C ATOM 1339 CG GLU A 85 -2.495 3.276 9.515 1.00 1.02 C ATOM 1340 CD GLU A 85 -3.380 4.500 9.405 1.00 1.65 C ATOM 1341 OE1 GLU A 85 -4.444 4.486 9.998 1.00 2.27 O ATOM 1342 OE2 GLU A 85 -2.967 5.446 8.762 1.00 2.33 O ATOM 1343 HA GLU A 85 -1.158 1.014 8.921 1.00 0.00 H ATOM 1344 HB2 GLU A 85 -2.655 2.483 7.508 1.00 0.00 H ATOM 1345 HB3 GLU A 85 -4.021 2.069 8.570 1.00 0.00 H ATOM 1346 HG2 GLU A 85 -2.558 2.878 10.528 1.00 0.00 H ATOM 1347 HG3 GLU A 85 -1.464 3.558 9.300 1.00 0.00 H ATOM 1348 H GLU A 85 -3.258 0.125 7.110 1.00 0.00 H ATOM 1349 N LYS A 86 -3.977 0.158 10.392 1.00 0.86 N ATOM 1350 CA LYS A 86 -4.547 -0.254 11.699 1.00 0.98 C ATOM 1351 C LYS A 86 -3.785 -1.487 12.219 1.00 1.02 C ATOM 1352 O LYS A 86 -3.407 -1.538 13.374 1.00 1.17 O ATOM 1353 CB LYS A 86 -6.021 -0.570 11.398 1.00 1.03 C ATOM 1354 CG LYS A 86 -6.908 0.579 11.899 1.00 1.34 C ATOM 1355 CD LYS A 86 -6.611 1.845 11.088 1.00 1.27 C ATOM 1356 CE LYS A 86 -6.538 3.054 12.021 1.00 2.02 C ATOM 1357 NZ LYS A 86 -6.580 4.231 11.113 1.00 2.40 N ATOM 1358 HA LYS A 86 -4.463 0.509 12.473 1.00 0.00 H ATOM 1359 HB2 LYS A 86 -6.154 -0.689 10.323 1.00 0.00 H ATOM 1360 HB3 LYS A 86 -6.304 -1.494 11.902 1.00 0.00 H ATOM 1361 HG2 LYS A 86 -7.957 0.308 11.779 1.00 0.00 H ATOM 1362 HG3 LYS A 86 -6.701 0.765 12.953 1.00 0.00 H ATOM 1363 HD2 LYS A 86 -5.658 1.729 10.571 1.00 0.00 H ATOM 1364 HD3 LYS A 86 -7.404 2.000 10.356 1.00 0.00 H ATOM 1365 HE2 LYS A 86 -5.611 3.043 12.594 1.00 0.00 H ATOM 1366 HE3 LYS A 86 -7.387 3.065 12.705 1.00 0.00 H ATOM 1367 HZ1 LYS A 86 -5.770 4.194 10.462 1.00 0.00 H ATOM 1368 HZ2 LYS A 86 -7.465 4.215 10.568 1.00 0.00 H ATOM 1369 HZ3 LYS A 86 -6.534 5.104 11.677 1.00 0.00 H ATOM 1370 H LYS A 86 -4.580 0.168 9.544 1.00 0.00 H ATOM 1371 N HIS A 87 -3.536 -2.467 11.369 1.00 0.97 N ATOM 1372 CA HIS A 87 -2.782 -3.690 11.817 1.00 1.05 C ATOM 1373 C HIS A 87 -1.499 -3.918 10.975 1.00 1.03 C ATOM 1374 O HIS A 87 -1.425 -4.851 10.192 1.00 1.15 O ATOM 1375 CB HIS A 87 -3.778 -4.841 11.631 1.00 1.18 C ATOM 1376 CG HIS A 87 -4.135 -5.404 12.981 1.00 1.38 C ATOM 1377 ND1 HIS A 87 -3.360 -6.372 13.603 1.00 2.18 N ATOM 1378 CD2 HIS A 87 -5.157 -5.121 13.854 1.00 1.70 C ATOM 1379 CE1 HIS A 87 -3.917 -6.630 14.801 1.00 2.64 C ATOM 1380 NE2 HIS A 87 -5.016 -5.896 15.004 1.00 2.23 N ATOM 1381 HA HIS A 87 -2.436 -3.599 12.846 1.00 0.00 H ATOM 1382 HB2 HIS A 87 -4.678 -4.470 11.140 1.00 0.00 H ATOM 1383 HB3 HIS A 87 -3.326 -5.620 11.018 1.00 0.00 H ATOM 1384 HD2 HIS A 87 -5.956 -4.401 13.675 1.00 0.00 H ATOM 1385 HE1 HIS A 87 -3.521 -7.349 15.518 1.00 0.00 H ATOM 1386 H HIS A 87 -3.863 -2.393 10.384 1.00 0.00 H ATOM 1387 N PRO A 88 -0.520 -3.054 11.174 1.00 0.98 N ATOM 1388 CA PRO A 88 0.773 -3.154 10.445 1.00 1.04 C ATOM 1389 C PRO A 88 1.831 -3.948 11.262 1.00 0.98 C ATOM 1390 O PRO A 88 2.375 -4.927 10.786 1.00 1.30 O ATOM 1391 CB PRO A 88 1.169 -1.689 10.306 1.00 1.22 C ATOM 1392 CG PRO A 88 0.502 -0.970 11.449 1.00 1.23 C ATOM 1393 CD PRO A 88 -0.525 -1.898 12.061 1.00 1.00 C ATOM 1394 HA PRO A 88 0.700 -3.686 9.496 1.00 0.00 H ATOM 1395 HD3 PRO A 88 -0.237 -2.183 13.073 1.00 0.00 H ATOM 1396 HD2 PRO A 88 -1.509 -1.429 12.083 1.00 0.00 H ATOM 1397 HG3 PRO A 88 0.012 -0.068 11.082 1.00 0.00 H ATOM 1398 HG2 PRO A 88 1.246 -0.698 12.198 1.00 0.00 H ATOM 1399 HB2 PRO A 88 2.252 -1.581 10.370 1.00 0.00 H ATOM 1400 HB3 PRO A 88 0.821 -1.291 9.353 1.00 0.00 H ATOM 1401 N LEU A 89 2.117 -3.522 12.487 1.00 1.01 N ATOM 1402 CA LEU A 89 3.121 -4.225 13.387 1.00 1.24 C ATOM 1403 C LEU A 89 4.592 -4.088 12.907 1.00 1.18 C ATOM 1404 O LEU A 89 5.497 -4.136 13.713 1.00 1.95 O ATOM 1405 CB LEU A 89 2.730 -5.716 13.421 1.00 1.52 C ATOM 1406 CG LEU A 89 1.340 -5.950 14.060 1.00 1.77 C ATOM 1407 CD1 LEU A 89 1.090 -5.001 15.241 1.00 1.95 C ATOM 1408 CD2 LEU A 89 0.245 -5.747 13.012 1.00 1.82 C ATOM 1409 HA LEU A 89 3.084 -3.758 14.371 1.00 0.00 H ATOM 1410 HB2 LEU A 89 2.714 -6.097 12.400 1.00 0.00 H ATOM 1411 HB3 LEU A 89 3.477 -6.260 13.999 1.00 0.00 H ATOM 1412 HG LEU A 89 1.318 -6.974 14.434 1.00 0.00 H ATOM 1413 HD21 LEU A 89 0.297 -4.729 12.626 1.00 0.00 H ATOM 1414 HD22 LEU A 89 0.390 -6.454 12.195 1.00 0.00 H ATOM 1415 HD23 LEU A 89 -0.730 -5.914 13.470 1.00 0.00 H ATOM 1416 HD11 LEU A 89 1.851 -5.165 16.004 1.00 0.00 H ATOM 1417 HD12 LEU A 89 1.139 -3.969 14.893 1.00 0.00 H ATOM 1418 HD13 LEU A 89 0.104 -5.198 15.661 1.00 0.00 H ATOM 1419 H LEU A 89 1.635 -2.673 12.845 1.00 0.00 H ATOM 1420 N TYR A 90 4.849 -3.960 11.626 1.00 1.12 N ATOM 1421 CA TYR A 90 6.271 -3.868 11.119 1.00 1.06 C ATOM 1422 C TYR A 90 7.044 -2.670 11.727 1.00 1.15 C ATOM 1423 O TYR A 90 7.331 -1.706 11.050 1.00 1.87 O ATOM 1424 CB TYR A 90 6.124 -3.655 9.611 1.00 1.07 C ATOM 1425 CG TYR A 90 6.000 -4.952 8.849 1.00 1.09 C ATOM 1426 CD1 TYR A 90 7.108 -5.779 8.657 1.00 1.54 C ATOM 1427 CD2 TYR A 90 4.774 -5.285 8.281 1.00 1.71 C ATOM 1428 CE1 TYR A 90 6.978 -6.953 7.895 1.00 1.70 C ATOM 1429 CE2 TYR A 90 4.644 -6.440 7.509 1.00 1.84 C ATOM 1430 CZ TYR A 90 5.745 -7.279 7.315 1.00 1.47 C ATOM 1431 OH TYR A 90 5.618 -8.407 6.520 1.00 1.77 O ATOM 1432 HA TYR A 90 6.835 -4.761 11.390 1.00 0.00 H ATOM 1433 HB3 TYR A 90 7.000 -3.119 9.247 1.00 0.00 H ATOM 1434 HB2 TYR A 90 5.232 -3.056 9.428 1.00 0.00 H ATOM 1435 HD2 TYR A 90 3.910 -4.640 8.440 1.00 0.00 H ATOM 1436 HE2 TYR A 90 3.684 -6.688 7.057 1.00 0.00 H ATOM 1437 HE1 TYR A 90 7.837 -7.610 7.755 1.00 0.00 H ATOM 1438 HD1 TYR A 90 8.070 -5.515 9.096 1.00 0.00 H ATOM 1439 HH TYR A 90 4.924 -9.002 6.901 1.00 0.00 H ATOM 1440 H TYR A 90 4.061 -3.921 10.948 1.00 0.00 H ATOM 1441 N ARG A 91 7.404 -2.751 12.982 1.00 1.31 N ATOM 1442 CA ARG A 91 8.193 -1.654 13.671 1.00 1.35 C ATOM 1443 C ARG A 91 7.795 -0.227 13.206 1.00 1.25 C ATOM 1444 O ARG A 91 6.907 0.378 13.780 1.00 1.86 O ATOM 1445 CB ARG A 91 9.673 -1.964 13.367 1.00 1.45 C ATOM 1446 CG ARG A 91 9.881 -3.485 13.310 1.00 1.88 C ATOM 1447 CD ARG A 91 11.150 -3.897 14.059 1.00 2.06 C ATOM 1448 NE ARG A 91 11.641 -5.101 13.312 1.00 2.30 N ATOM 1449 CZ ARG A 91 11.331 -6.302 13.714 1.00 2.70 C ATOM 1450 NH1 ARG A 91 10.130 -6.556 14.130 1.00 3.34 N ATOM 1451 NH2 ARG A 91 12.215 -7.251 13.682 1.00 3.08 N ATOM 1452 HA ARG A 91 7.987 -1.648 14.741 1.00 0.00 H ATOM 1453 HB2 ARG A 91 9.946 -1.524 12.408 1.00 0.00 H ATOM 1454 HB3 ARG A 91 10.301 -1.541 14.151 1.00 0.00 H ATOM 1455 HG2 ARG A 91 9.023 -3.979 13.765 1.00 0.00 H ATOM 1456 HG3 ARG A 91 9.966 -3.794 12.268 1.00 0.00 H ATOM 1457 HD2 ARG A 91 10.924 -4.150 15.095 1.00 0.00 H ATOM 1458 HD3 ARG A 91 11.891 -3.098 14.035 1.00 0.00 H ATOM 1459 HE ARG A 91 12.234 -4.977 12.466 1.00 0.00 H ATOM 1460 HH12 ARG A 91 9.882 -7.514 14.451 1.00 0.00 H ATOM 1461 HH11 ARG A 91 9.414 -5.802 14.143 1.00 0.00 H ATOM 1462 HH22 ARG A 91 11.963 -8.207 14.004 1.00 0.00 H ATOM 1463 HH21 ARG A 91 13.176 -7.055 13.335 1.00 0.00 H ATOM 1464 H ARG A 91 7.140 -3.597 13.526 1.00 0.00 H ATOM 1465 N LYS A 92 8.432 0.324 12.184 1.00 1.08 N ATOM 1466 CA LYS A 92 8.068 1.712 11.731 1.00 1.00 C ATOM 1467 C LYS A 92 7.068 1.672 10.566 1.00 0.98 C ATOM 1468 O LYS A 92 7.037 2.550 9.721 1.00 1.17 O ATOM 1469 CB LYS A 92 9.398 2.359 11.301 1.00 1.00 C ATOM 1470 CG LYS A 92 9.858 1.806 9.941 1.00 1.02 C ATOM 1471 CD LYS A 92 11.391 1.741 9.893 1.00 1.60 C ATOM 1472 CE LYS A 92 11.893 0.508 10.663 1.00 2.45 C ATOM 1473 NZ LYS A 92 12.926 -0.129 9.778 1.00 2.90 N ATOM 1474 HA LYS A 92 7.580 2.280 12.523 1.00 0.00 H ATOM 1475 HB2 LYS A 92 9.262 3.438 11.221 1.00 0.00 H ATOM 1476 HB3 LYS A 92 10.159 2.144 12.051 1.00 0.00 H ATOM 1477 HG2 LYS A 92 9.449 0.805 9.801 1.00 0.00 H ATOM 1478 HG3 LYS A 92 9.499 2.459 9.145 1.00 0.00 H ATOM 1479 HD2 LYS A 92 11.717 1.675 8.855 1.00 0.00 H ATOM 1480 HD3 LYS A 92 11.805 2.642 10.346 1.00 0.00 H ATOM 1481 HE2 LYS A 92 11.072 -0.185 10.849 1.00 0.00 H ATOM 1482 HE3 LYS A 92 12.337 0.807 11.612 1.00 0.00 H ATOM 1483 HZ1 LYS A 92 12.488 -0.399 8.874 1.00 0.00 H ATOM 1484 HZ2 LYS A 92 13.696 0.548 9.603 1.00 0.00 H ATOM 1485 HZ3 LYS A 92 13.307 -0.976 10.246 1.00 0.00 H ATOM 1486 H LYS A 92 9.184 -0.202 11.695 1.00 0.00 H ATOM 1487 N MET A 93 6.254 0.660 10.516 1.00 0.99 N ATOM 1488 CA MET A 93 5.265 0.546 9.418 1.00 1.04 C ATOM 1489 C MET A 93 3.841 0.773 9.942 1.00 0.99 C ATOM 1490 O MET A 93 3.325 -0.008 10.712 1.00 1.71 O ATOM 1491 CB MET A 93 5.432 -0.888 8.927 1.00 1.35 C ATOM 1492 CG MET A 93 4.204 -1.311 8.113 1.00 1.50 C ATOM 1493 SD MET A 93 4.601 -2.725 7.052 1.00 2.22 S ATOM 1494 CE MET A 93 5.992 -1.998 6.153 1.00 2.97 C ATOM 1495 HA MET A 93 5.421 1.285 8.632 1.00 0.00 H ATOM 1496 HB2 MET A 93 6.321 -0.954 8.300 1.00 0.00 H ATOM 1497 HB3 MET A 93 5.544 -1.552 9.784 1.00 0.00 H ATOM 1498 HG2 MET A 93 3.880 -0.476 7.492 1.00 0.00 H ATOM 1499 HG3 MET A 93 3.400 -1.588 8.795 1.00 0.00 H ATOM 1500 HE1 MET A 93 5.654 -1.109 5.620 1.00 0.00 H ATOM 1501 HE2 MET A 93 6.776 -1.724 6.859 1.00 0.00 H ATOM 1502 HE3 MET A 93 6.382 -2.724 5.440 1.00 0.00 H ATOM 1503 H MET A 93 6.297 -0.074 11.251 1.00 0.00 H ATOM 1504 N LYS A 94 3.202 1.831 9.521 1.00 0.73 N ATOM 1505 CA LYS A 94 1.796 2.099 9.970 1.00 0.79 C ATOM 1506 C LYS A 94 1.109 3.066 8.992 1.00 0.81 C ATOM 1507 O LYS A 94 0.450 4.002 9.398 1.00 1.20 O ATOM 1508 CB LYS A 94 1.916 2.708 11.378 1.00 0.86 C ATOM 1509 CG LYS A 94 1.040 1.912 12.350 1.00 1.09 C ATOM 1510 CD LYS A 94 0.623 2.784 13.539 1.00 1.53 C ATOM 1511 CE LYS A 94 -0.469 2.055 14.349 1.00 2.06 C ATOM 1512 NZ LYS A 94 -1.697 2.104 13.492 1.00 2.90 N ATOM 1513 HA LYS A 94 1.188 1.194 9.992 1.00 0.00 H ATOM 1514 HB2 LYS A 94 2.955 2.666 11.706 1.00 0.00 H ATOM 1515 HB3 LYS A 94 1.585 3.746 11.355 1.00 0.00 H ATOM 1516 HG2 LYS A 94 0.147 1.567 11.828 1.00 0.00 H ATOM 1517 HG3 LYS A 94 1.601 1.052 12.716 1.00 0.00 H ATOM 1518 HD2 LYS A 94 1.488 2.968 14.177 1.00 0.00 H ATOM 1519 HD3 LYS A 94 0.233 3.734 13.175 1.00 0.00 H ATOM 1520 HE2 LYS A 94 -0.644 2.563 15.297 1.00 0.00 H ATOM 1521 HE3 LYS A 94 -0.177 1.022 14.540 1.00 0.00 H ATOM 1522 HZ1 LYS A 94 -1.953 3.096 13.312 1.00 0.00 H ATOM 1523 HZ2 LYS A 94 -1.507 1.624 12.589 1.00 0.00 H ATOM 1524 HZ3 LYS A 94 -2.480 1.626 13.982 1.00 0.00 H ATOM 1525 H LYS A 94 3.671 2.492 8.870 1.00 0.00 H ATOM 1526 N LEU A 95 1.275 2.834 7.707 1.00 0.61 N ATOM 1527 CA LEU A 95 0.663 3.705 6.644 1.00 0.65 C ATOM 1528 C LEU A 95 0.743 5.201 6.989 1.00 0.79 C ATOM 1529 O LEU A 95 -0.045 5.977 6.537 1.00 1.50 O ATOM 1530 CB LEU A 95 -0.799 3.263 6.533 1.00 0.66 C ATOM 1531 CG LEU A 95 -0.919 1.816 6.006 1.00 0.69 C ATOM 1532 CD1 LEU A 95 -2.032 1.751 4.970 1.00 1.36 C ATOM 1533 CD2 LEU A 95 0.377 1.352 5.339 1.00 1.47 C ATOM 1534 HA LEU A 95 1.205 3.590 5.705 1.00 0.00 H ATOM 1535 HB2 LEU A 95 -1.262 3.320 7.518 1.00 0.00 H ATOM 1536 HB3 LEU A 95 -1.320 3.933 5.849 1.00 0.00 H ATOM 1537 HG LEU A 95 -1.131 1.168 6.857 1.00 0.00 H ATOM 1538 HD21 LEU A 95 0.607 2.007 4.499 1.00 0.00 H ATOM 1539 HD22 LEU A 95 1.191 1.389 6.063 1.00 0.00 H ATOM 1540 HD23 LEU A 95 0.254 0.330 4.981 1.00 0.00 H ATOM 1541 HD11 LEU A 95 -2.973 2.052 5.430 1.00 0.00 H ATOM 1542 HD12 LEU A 95 -1.798 2.423 4.145 1.00 0.00 H ATOM 1543 HD13 LEU A 95 -2.119 0.731 4.596 1.00 0.00 H ATOM 1544 H LEU A 95 1.851 2.018 7.416 1.00 0.00 H ATOM 1545 N ARG A 96 1.697 5.613 7.760 1.00 1.07 N ATOM 1546 CA ARG A 96 1.804 7.063 8.087 1.00 1.19 C ATOM 1547 C ARG A 96 3.265 7.379 8.410 1.00 1.09 C ATOM 1548 O ARG A 96 3.593 7.943 9.438 1.00 1.20 O ATOM 1549 CB ARG A 96 0.864 7.281 9.287 1.00 1.40 C ATOM 1550 CG ARG A 96 0.440 8.758 9.344 1.00 1.54 C ATOM 1551 CD ARG A 96 -0.478 9.015 10.559 1.00 1.89 C ATOM 1552 NE ARG A 96 -1.846 8.566 10.136 1.00 1.94 N ATOM 1553 CZ ARG A 96 -2.734 8.186 11.019 1.00 2.34 C ATOM 1554 NH1 ARG A 96 -3.366 9.057 11.743 1.00 2.85 N ATOM 1555 NH2 ARG A 96 -2.993 6.929 11.162 1.00 2.85 N ATOM 1556 HA ARG A 96 1.515 7.725 7.270 1.00 0.00 H ATOM 1557 HB2 ARG A 96 -0.020 6.653 9.175 1.00 0.00 H ATOM 1558 HB3 ARG A 96 1.383 7.016 10.208 1.00 0.00 H ATOM 1559 HG2 ARG A 96 1.329 9.383 9.428 1.00 0.00 H ATOM 1560 HG3 ARG A 96 -0.096 9.012 8.430 1.00 0.00 H ATOM 1561 HD2 ARG A 96 -0.487 10.075 10.812 1.00 0.00 H ATOM 1562 HD3 ARG A 96 -0.138 8.440 11.421 1.00 0.00 H ATOM 1563 HE ARG A 96 -2.092 8.557 9.126 1.00 0.00 H ATOM 1564 HH12 ARG A 96 -4.069 8.741 12.441 1.00 0.00 H ATOM 1565 HH11 ARG A 96 -3.170 10.072 11.626 1.00 0.00 H ATOM 1566 HH22 ARG A 96 -3.697 6.620 11.862 1.00 0.00 H ATOM 1567 HH21 ARG A 96 -2.497 6.226 10.577 1.00 0.00 H ATOM 1568 H ARG A 96 2.385 4.937 8.149 1.00 0.00 H ATOM 1569 N TYR A 97 4.140 6.997 7.514 1.00 0.95 N ATOM 1570 CA TYR A 97 5.598 7.239 7.698 1.00 0.89 C ATOM 1571 C TYR A 97 6.243 7.571 6.345 1.00 0.82 C ATOM 1572 O TYR A 97 5.981 6.899 5.362 1.00 0.85 O ATOM 1573 CB TYR A 97 6.163 5.915 8.224 1.00 0.93 C ATOM 1574 CG TYR A 97 7.454 6.186 8.959 1.00 0.95 C ATOM 1575 CD1 TYR A 97 7.426 6.825 10.200 1.00 1.38 C ATOM 1576 CD2 TYR A 97 8.676 5.804 8.396 1.00 1.25 C ATOM 1577 CE1 TYR A 97 8.623 7.083 10.883 1.00 1.51 C ATOM 1578 CE2 TYR A 97 9.872 6.062 9.079 1.00 1.42 C ATOM 1579 CZ TYR A 97 9.846 6.701 10.321 1.00 1.31 C ATOM 1580 OH TYR A 97 11.026 6.953 10.995 1.00 1.58 O ATOM 1581 HA TYR A 97 5.793 8.070 8.376 1.00 0.00 H ATOM 1582 HB3 TYR A 97 6.353 5.241 7.389 1.00 0.00 H ATOM 1583 HB2 TYR A 97 5.445 5.456 8.904 1.00 0.00 H ATOM 1584 HD2 TYR A 97 8.698 5.306 7.427 1.00 0.00 H ATOM 1585 HE2 TYR A 97 10.824 5.764 8.640 1.00 0.00 H ATOM 1586 HE1 TYR A 97 8.601 7.581 11.852 1.00 0.00 H ATOM 1587 HD1 TYR A 97 6.473 7.123 10.638 1.00 0.00 H ATOM 1588 HH TYR A 97 10.825 7.408 11.851 1.00 0.00 H ATOM 1589 H TYR A 97 3.809 6.514 6.654 1.00 0.00 H ATOM 1590 N PRO A 98 7.074 8.584 6.334 1.00 0.77 N ATOM 1591 CA PRO A 98 7.763 8.973 5.082 1.00 0.75 C ATOM 1592 C PRO A 98 8.938 8.016 4.806 1.00 0.71 C ATOM 1593 O PRO A 98 9.064 6.973 5.421 1.00 0.72 O ATOM 1594 CB PRO A 98 8.251 10.392 5.370 1.00 0.77 C ATOM 1595 CG PRO A 98 8.363 10.485 6.862 1.00 0.77 C ATOM 1596 CD PRO A 98 7.446 9.446 7.463 1.00 0.78 C ATOM 1597 HA PRO A 98 7.126 8.927 4.199 1.00 0.00 H ATOM 1598 HD3 PRO A 98 7.965 8.872 8.231 1.00 0.00 H ATOM 1599 HD2 PRO A 98 6.563 9.916 7.896 1.00 0.00 H ATOM 1600 HG3 PRO A 98 8.065 11.479 7.195 1.00 0.00 H ATOM 1601 HG2 PRO A 98 9.391 10.294 7.169 1.00 0.00 H ATOM 1602 HB2 PRO A 98 9.221 10.563 4.904 1.00 0.00 H ATOM 1603 HB3 PRO A 98 7.536 11.124 4.995 1.00 0.00 H ATOM 1604 N ILE A 99 9.797 8.357 3.886 1.00 0.73 N ATOM 1605 CA ILE A 99 10.956 7.464 3.577 1.00 0.74 C ATOM 1606 C ILE A 99 12.270 8.185 3.900 1.00 0.78 C ATOM 1607 O ILE A 99 12.936 8.729 3.040 1.00 0.84 O ATOM 1608 CB ILE A 99 10.812 7.128 2.089 1.00 0.80 C ATOM 1609 CG1 ILE A 99 10.728 8.421 1.238 1.00 0.86 C ATOM 1610 CG2 ILE A 99 9.543 6.281 1.911 1.00 0.82 C ATOM 1611 CD1 ILE A 99 9.266 8.823 0.981 1.00 1.43 C ATOM 1612 HA ILE A 99 10.969 6.551 4.173 1.00 0.00 H ATOM 1613 HB ILE A 99 11.685 6.571 1.749 1.00 0.00 H ATOM 1614 HG12 ILE A 99 11.232 9.229 1.768 1.00 0.00 H ATOM 1615 HG13 ILE A 99 11.224 8.251 0.282 1.00 0.00 H ATOM 1616 HD11 ILE A 99 8.758 8.020 0.446 1.00 0.00 H ATOM 1617 HD12 ILE A 99 8.766 9.000 1.933 1.00 0.00 H ATOM 1618 HD13 ILE A 99 9.241 9.733 0.382 1.00 0.00 H ATOM 1619 HG21 ILE A 99 9.634 5.366 2.496 1.00 0.00 H ATOM 1620 HG22 ILE A 99 8.678 6.849 2.254 1.00 0.00 H ATOM 1621 HG23 ILE A 99 9.420 6.030 0.857 1.00 0.00 H ATOM 1622 H ILE A 99 9.676 9.250 3.367 1.00 0.00 H ATOM 1623 N ASN A 100 12.614 8.214 5.163 1.00 0.82 N ATOM 1624 CA ASN A 100 13.854 8.928 5.615 1.00 0.88 C ATOM 1625 C ASN A 100 15.136 8.255 5.109 1.00 0.82 C ATOM 1626 O ASN A 100 15.310 7.053 5.199 1.00 0.90 O ATOM 1627 CB ASN A 100 13.803 8.890 7.143 1.00 1.05 C ATOM 1628 CG ASN A 100 12.491 9.505 7.636 1.00 1.28 C ATOM 1629 OD1 ASN A 100 11.486 8.827 7.745 1.00 1.79 O ATOM 1630 ND2 ASN A 100 12.455 10.771 7.934 1.00 1.44 N ATOM 1631 HA ASN A 100 13.880 9.943 5.218 1.00 0.00 H ATOM 1632 HB2 ASN A 100 13.867 7.856 7.481 1.00 0.00 H ATOM 1633 HB3 ASN A 100 14.642 9.456 7.547 1.00 0.00 H ATOM 1634 HD22 ASN A 100 13.313 11.352 7.841 1.00 0.00 H ATOM 1635 HD21 ASN A 100 11.568 11.202 8.265 1.00 0.00 H ATOM 1636 H ASN A 100 12.017 7.733 5.866 1.00 0.00 H ATOM 1637 N GLU A 101 16.030 9.046 4.576 1.00 0.91 N ATOM 1638 CA GLU A 101 17.324 8.511 4.037 1.00 1.02 C ATOM 1639 C GLU A 101 18.358 8.268 5.132 1.00 1.21 C ATOM 1640 O GLU A 101 18.773 9.184 5.806 1.00 1.57 O ATOM 1641 CB GLU A 101 17.854 9.612 3.127 1.00 1.39 C ATOM 1642 CG GLU A 101 17.620 9.246 1.651 1.00 2.14 C ATOM 1643 CD GLU A 101 18.639 8.182 1.194 1.00 2.95 C ATOM 1644 OE1 GLU A 101 19.758 8.200 1.685 1.00 3.57 O ATOM 1645 OE2 GLU A 101 18.275 7.368 0.354 1.00 3.50 O ATOM 1646 HA GLU A 101 17.155 7.556 3.539 1.00 0.00 H ATOM 1647 HB2 GLU A 101 17.337 10.545 3.352 1.00 0.00 H ATOM 1648 HB3 GLU A 101 18.923 9.739 3.301 1.00 0.00 H ATOM 1649 HG2 GLU A 101 16.611 8.851 1.534 1.00 0.00 H ATOM 1650 HG3 GLU A 101 17.733 10.139 1.037 1.00 0.00 H ATOM 1651 H GLU A 101 15.840 10.067 4.525 1.00 0.00 H ATOM 1652 N GLU A 102 18.811 7.048 5.261 1.00 1.34 N ATOM 1653 CA GLU A 102 19.876 6.712 6.263 1.00 1.78 C ATOM 1654 C GLU A 102 20.917 7.854 6.322 1.00 1.91 C ATOM 1655 O GLU A 102 21.256 8.353 7.375 1.00 2.36 O ATOM 1656 CB GLU A 102 20.530 5.453 5.670 1.00 2.20 C ATOM 1657 CG GLU A 102 19.978 4.162 6.315 1.00 2.31 C ATOM 1658 CD GLU A 102 18.441 4.095 6.257 1.00 2.43 C ATOM 1659 OE1 GLU A 102 17.866 4.582 5.296 1.00 2.84 O ATOM 1660 OE2 GLU A 102 17.868 3.541 7.178 1.00 2.76 O ATOM 1661 HA GLU A 102 19.490 6.569 7.272 1.00 0.00 H ATOM 1662 HB2 GLU A 102 20.333 5.424 4.598 1.00 0.00 H ATOM 1663 HB3 GLU A 102 21.606 5.501 5.840 1.00 0.00 H ATOM 1664 HG2 GLU A 102 20.388 3.302 5.786 1.00 0.00 H ATOM 1665 HG3 GLU A 102 20.292 4.128 7.358 1.00 0.00 H ATOM 1666 H GLU A 102 18.425 6.295 4.656 1.00 0.00 H ATOM 1667 N ASN A 103 21.407 8.262 5.165 1.00 1.98 N ATOM 1668 CA ASN A 103 22.427 9.370 5.079 1.00 2.69 C ATOM 1669 C ASN A 103 21.867 10.700 5.628 1.00 3.25 C ATOM 1670 O ASN A 103 22.543 11.418 6.344 1.00 3.88 O ATOM 1671 CB ASN A 103 22.721 9.492 3.565 1.00 3.12 C ATOM 1672 CG ASN A 103 24.120 10.073 3.306 1.00 3.82 C ATOM 1673 OD1 ASN A 103 25.097 9.355 3.333 1.00 4.04 O ATOM 1674 ND2 ASN A 103 24.268 11.342 3.032 1.00 4.57 N ATOM 1675 HA ASN A 103 23.316 9.155 5.672 1.00 0.00 H ATOM 1676 HB2 ASN A 103 22.659 8.503 3.111 1.00 0.00 H ATOM 1677 HB3 ASN A 103 21.976 10.146 3.111 1.00 0.00 H ATOM 1678 HD22 ASN A 103 23.438 11.969 3.006 1.00 0.00 H ATOM 1679 HD21 ASN A 103 25.215 11.726 2.840 1.00 0.00 H ATOM 1680 H ASN A 103 21.080 7.807 4.289 1.00 0.00 H ATOM 1681 N SER A 104 20.650 11.049 5.273 1.00 3.19 N ATOM 1682 CA SER A 104 20.052 12.349 5.742 1.00 4.02 C ATOM 1683 C SER A 104 19.281 12.222 7.077 1.00 4.59 C ATOM 1684 O SER A 104 19.381 13.082 7.933 1.00 5.30 O ATOM 1685 CB SER A 104 19.096 12.769 4.624 1.00 4.33 C ATOM 1686 OG SER A 104 19.636 13.890 3.933 1.00 4.62 O ATOM 1687 HA SER A 104 20.840 13.077 5.936 1.00 0.00 H ATOM 1688 HB2 SER A 104 18.130 13.037 5.053 1.00 0.00 H ATOM 1689 HB3 SER A 104 18.965 11.941 3.927 1.00 0.00 H ATOM 1690 HG SER A 104 19.016 14.160 3.210 1.00 0.00 H ATOM 1691 H SER A 104 20.093 10.419 4.661 1.00 0.00 H ATOM 1692 N SER A 105 18.498 11.188 7.270 1.00 4.63 N ATOM 1693 CA SER A 105 17.729 11.054 8.559 1.00 5.48 C ATOM 1694 C SER A 105 17.341 9.589 8.819 1.00 5.86 C ATOM 1695 O SER A 105 17.486 9.158 9.949 1.00 6.12 O ATOM 1696 CB SER A 105 16.471 11.933 8.404 1.00 5.91 C ATOM 1697 OG SER A 105 16.102 12.035 7.028 1.00 6.36 O ATOM 1698 HA SER A 105 18.332 11.372 9.410 1.00 0.00 H ATOM 1699 OXT SER A 105 16.907 8.922 7.896 1.00 6.15 O ATOM 1700 HB2 SER A 105 16.678 12.929 8.796 1.00 0.00 H ATOM 1701 HB3 SER A 105 15.649 11.487 8.964 1.00 0.00 H ATOM 1702 HG SER A 105 15.294 12.601 6.945 1.00 0.00 H ATOM 1703 H SER A 105 18.408 10.460 6.533 1.00 0.00 H TER 1704 SER A 105 HETATM 1705 C ACE A 1 9.271 -8.201 -13.080 1.00 0.18 C HETATM 1706 O ACE A 1 10.185 -8.643 -13.738 1.00 -0.40 O HETATM 1707 CH3 ACE A 1 8.462 -9.128 -12.160 1.00 0.03 C HETATM 1708 H1 ACE A 1 7.680 -8.547 -11.649 1.00 0.05 H HETATM 1709 H2 ACE A 1 9.132 -9.578 -11.412 1.00 0.05 H HETATM 1710 H3 ACE A 1 7.995 -9.923 -12.760 1.00 0.05 H HETATM 1711 N ACE A 1 8.918 -6.931 -13.126 1.00 -0.26 N HETATM 1712 CA ACE A 1 9.629 -5.924 -13.982 1.00 0.14 C HETATM 1713 C ACE A 1 9.036 -4.539 -13.652 1.00 0.21 C HETATM 1714 O ACE A 1 8.846 -4.259 -12.489 1.00 -0.39 O HETATM 1715 N ACE A 1 8.755 -3.668 -14.626 1.00 -0.26 N HETATM 1716 CA ACE A 1 8.175 -2.298 -14.274 1.00 0.16 C HETATM 1717 C ACE A 1 6.649 -2.187 -14.464 1.00 0.21 C HETATM 1718 O ACE A 1 6.090 -1.244 -13.990 1.00 -0.39 O HETATM 1719 N ACE A 1 5.963 -3.114 -15.120 1.00 -0.26 N HETATM 1720 CA ACE A 1 4.464 -2.944 -15.259 1.00 0.13 C HETATM 1721 C ACE A 1 3.716 -4.291 -15.467 1.00 0.20 C HETATM 1722 O ACE A 1 3.031 -4.470 -16.460 1.00 -0.39 O HETATM 1723 N ACE A 1 3.810 -5.244 -14.542 1.00 -0.26 N HETATM 1724 CA ACE A 1 3.066 -6.538 -14.746 1.00 0.13 C HETATM 1725 C ACE A 1 3.060 -7.486 -13.491 1.00 0.20 C HETATM 1726 O ACE A 1 3.896 -8.353 -13.342 1.00 -0.39 O HETATM 1727 N ACE A 1 2.062 -7.379 -12.614 1.00 -0.26 N HETATM 1728 CA ACE A 1 1.970 -8.353 -11.449 1.00 0.15 C HETATM 1729 C ACE A 1 0.575 -9.030 -11.442 1.00 0.21 C HETATM 1730 O ACE A 1 -0.101 -9.075 -12.452 1.00 -0.39 O HETATM 1731 N ACE A 1 0.137 -9.545 -10.298 1.00 -0.26 N HETATM 1732 CA ACE A 1 -1.216 -10.204 -10.223 1.00 0.13 C HETATM 1733 C ACE A 1 -1.830 -10.105 -8.800 1.00 0.20 C HETATM 1734 O ACE A 1 -2.839 -9.468 -8.616 1.00 -0.39 O HETATM 1735 N ACE A 1 -1.243 -10.735 -7.799 1.00 -0.26 N HETATM 1736 CA ACE A 1 -1.837 -10.668 -6.413 1.00 0.15 C HETATM 1737 C ACE A 1 -0.981 -9.779 -5.478 1.00 0.21 C HETATM 1738 O ACE A 1 0.137 -10.130 -5.147 1.00 -0.39 O HETATM 1739 N ACE A 1 -1.529 -8.617 -5.133 1.00 -0.25 N HETATM 1740 CA ACE A 1 -0.800 -7.613 -4.294 1.00 0.13 C HETATM 1741 C ACE A 1 -0.915 -7.859 -2.758 1.00 0.20 C HETATM 1742 O ACE A 1 -0.452 -8.863 -2.253 1.00 -0.39 O HETATM 1743 N ACE A 1 -1.473 -6.926 -2.006 1.00 -0.26 N HETATM 1744 CA ACE A 1 -1.554 -7.088 -0.519 1.00 0.15 C HETATM 1745 C ACE A 1 -2.982 -7.426 -0.079 1.00 0.21 C HETATM 1746 O ACE A 1 -3.862 -6.588 -0.086 1.00 -0.39 O HETATM 1747 N ACE A 1 -3.212 -8.661 0.275 1.00 -0.26 N HETATM 1748 CA ACE A 1 -4.586 -9.095 0.676 1.00 0.13 C HETATM 1749 C ACE A 1 -4.763 -9.272 2.203 1.00 0.20 C HETATM 1750 O ACE A 1 -5.820 -8.974 2.733 1.00 -0.39 O HETATM 1751 N ACE A 1 -3.780 -9.785 2.908 1.00 -0.26 N HETATM 1752 CA ACE A 1 -3.963 -10.011 4.385 1.00 0.14 C HETATM 1753 C ACE A 1 -3.087 -9.082 5.237 1.00 0.21 C HETATM 1754 O ACE A 1 -2.050 -8.625 4.789 1.00 -0.39 O HETATM 1755 N ACE A 1 -3.488 -8.906 6.483 1.00 -0.25 N HETATM 1756 CA ACE A 1 -2.660 -8.119 7.426 1.00 0.13 C HETATM 1757 C ACE A 1 -1.422 -8.982 7.727 1.00 0.20 C HETATM 1758 O ACE A 1 -1.403 -10.154 7.392 1.00 -0.39 O HETATM 1759 N ACE A 1 -0.381 -8.454 8.312 1.00 -0.26 N HETATM 1760 CA ACE A 1 0.822 -9.319 8.558 1.00 0.13 C HETATM 1761 C ACE A 1 0.473 -10.545 9.421 1.00 0.20 C HETATM 1762 O ACE A 1 0.636 -11.672 9.000 1.00 -0.39 O HETATM 1763 N2 ACE A 1 0.035 -10.371 10.634 1.00 -0.30 N HETATM 1764 H86 ACE A 1 -0.194 -11.162 11.201 1.00 0.18 H HETATM 1765 H87 ACE A 1 -0.073 -9.446 10.999 1.00 0.18 H HETATM 1766 CB ACE A 1 1.843 -8.444 9.281 1.00 -0.00 C HETATM 1767 CG ACE A 1 3.039 -9.323 9.690 1.00 0.00 C HETATM 1768 CD ACE A 1 3.890 -9.703 8.468 1.00 0.04 C HETATM 1769 OE1 ACE A 1 5.061 -9.972 8.663 1.00 -0.57 O HETATM 1770 OE2 ACE A 1 3.365 -9.734 7.361 1.00 -0.57 O HETATM 1771 H84 ACE A 1 2.664 -10.241 10.166 1.00 0.04 H HETATM 1772 H85 ACE A 1 3.665 -8.768 10.405 1.00 0.04 H HETATM 1773 H82 ACE A 1 1.384 -8.002 10.178 1.00 0.03 H HETATM 1774 H83 ACE A 1 2.185 -7.642 8.611 1.00 0.03 H HETATM 1775 H81 ACE A 1 1.234 -9.663 7.598 1.00 0.08 H HETATM 1776 H80 ACE A 1 -0.385 -7.494 8.591 1.00 0.19 H HETATM 1777 CB ACE A 1 -3.565 -7.940 8.652 1.00 -0.01 C HETATM 1778 CG ACE A 1 -4.534 -9.081 8.585 1.00 -0.03 C HETATM 1779 CD ACE A 1 -4.713 -9.422 7.123 1.00 0.04 C HETATM 1780 H78 ACE A 1 -4.799 -10.510 6.983 1.00 0.05 H HETATM 1781 H79 ACE A 1 -5.606 -8.928 6.713 1.00 0.05 H HETATM 1782 H76 ACE A 1 -5.498 -8.785 9.025 1.00 0.03 H HETATM 1783 H77 ACE A 1 -4.134 -9.949 9.129 1.00 0.03 H HETATM 1784 H74 ACE A 1 -4.096 -6.978 8.604 1.00 0.03 H HETATM 1785 H75 ACE A 1 -2.975 -7.987 9.579 1.00 0.03 H HETATM 1786 H73 ACE A 1 -2.362 -7.145 7.010 1.00 0.08 H HETATM 1787 CB ACE A 1 -3.497 -11.460 4.643 1.00 0.04 C HETATM 1788 CG ACE A 1 -3.992 -12.415 3.556 1.00 0.04 C HETATM 1789 OD1 ACE A 1 -5.072 -12.957 3.717 1.00 -0.57 O HETATM 1790 OD2 ACE A 1 -3.267 -12.604 2.591 1.00 -0.57 O HETATM 1791 H71 ACE A 1 -3.889 -11.793 5.615 1.00 0.05 H HETATM 1792 H72 ACE A 1 -2.397 -11.483 4.664 1.00 0.05 H HETATM 1793 H70 ACE A 1 -5.020 -9.879 4.660 1.00 0.08 H HETATM 1794 H69 ACE A 1 -2.915 -10.024 2.466 1.00 0.19 H HETATM 1795 CB ACE A 1 -4.755 -10.437 -0.039 1.00 -0.02 C HETATM 1796 H66 ACE A 1 -5.747 -10.852 0.190 1.00 0.03 H HETATM 1797 H67 ACE A 1 -3.977 -11.136 0.303 1.00 0.03 H HETATM 1798 H68 ACE A 1 -4.662 -10.288 -1.125 1.00 0.03 H HETATM 1799 H65 ACE A 1 -5.330 -8.368 0.318 1.00 0.08 H HETATM 1800 H64 ACE A 1 -2.463 -9.323 0.278 1.00 0.19 H HETATM 1801 CB ACE A 1 -1.123 -5.726 0.024 1.00 0.04 C HETATM 1802 CG ACE A 1 0.304 -5.806 0.504 1.00 -0.00 C HETATM 1803 CD1 ACE A 1 0.573 -6.340 1.759 1.00 -0.02 C HETATM 1804 CE1 ACE A 1 1.882 -6.406 2.234 1.00 0.01 C HETATM 1805 CZ ACE A 1 2.937 -5.939 1.445 1.00 0.17 C HETATM 1806 CE2 ACE A 1 2.670 -5.403 0.179 1.00 0.01 C HETATM 1807 CD2 ACE A 1 1.351 -5.333 -0.292 1.00 -0.02 C HETATM 1808 H61 ACE A 1 1.144 -4.914 -1.270 1.00 0.07 H HETATM 1809 H63 ACE A 1 3.485 -5.042 -0.438 1.00 0.07 H HETATM 1810 OH ACE A 1 4.240 -5.993 1.913 1.00 -0.20 O HETATM 1811 P ACE A 1 4.786 -7.308 2.565 1.00 0.13 P HETATM 1812 O1P ACE A 1 6.139 -7.522 1.852 1.00 -0.67 O HETATM 1813 O2P ACE A 1 3.817 -8.435 2.110 1.00 -0.67 O HETATM 1814 O3P ACE A 1 4.867 -7.071 4.136 1.00 -0.67 O HETATM 1815 H62 ACE A 1 2.082 -6.820 3.216 1.00 0.07 H HETATM 1816 H60 ACE A 1 -0.241 -6.708 2.373 1.00 0.07 H HETATM 1817 H58 ACE A 1 -1.776 -5.442 0.862 1.00 0.06 H HETATM 1818 H59 ACE A 1 -1.200 -4.972 -0.773 1.00 0.06 H HETATM 1819 H57 ACE A 1 -0.870 -7.878 -0.176 1.00 0.08 H HETATM 1820 H56 ACE A 1 -1.845 -6.103 -2.435 1.00 0.19 H HETATM 1821 CB ACE A 1 -1.454 -6.292 -4.731 1.00 -0.01 C HETATM 1822 CG ACE A 1 -2.829 -6.650 -5.214 1.00 -0.03 C HETATM 1823 CD ACE A 1 -2.866 -8.136 -5.491 1.00 0.04 C HETATM 1824 H54 ACE A 1 -3.633 -8.626 -4.873 1.00 0.05 H HETATM 1825 H55 ACE A 1 -3.075 -8.327 -6.554 1.00 0.05 H HETATM 1826 H52 ACE A 1 -3.055 -6.095 -6.136 1.00 0.03 H HETATM 1827 H53 ACE A 1 -3.571 -6.397 -4.442 1.00 0.03 H HETATM 1828 H50 ACE A 1 -0.873 -5.828 -5.542 1.00 0.03 H HETATM 1829 H51 ACE A 1 -1.517 -5.597 -3.881 1.00 0.03 H HETATM 1830 H49 ACE A 1 0.268 -7.613 -4.556 1.00 0.08 H HETATM 1831 CB ACE A 1 -1.877 -12.122 -5.948 1.00 0.08 C HETATM 1832 OG ACE A 1 -3.112 -12.702 -6.361 1.00 -0.39 O HETATM 1833 H48 ACE A 1 -3.177 -12.664 -7.308 1.00 0.21 H HETATM 1834 H46 ACE A 1 -1.798 -12.162 -4.852 1.00 0.06 H HETATM 1835 H47 ACE A 1 -1.040 -12.677 -6.396 1.00 0.06 H HETATM 1836 H45 ACE A 1 -2.857 -10.257 -6.455 1.00 0.08 H HETATM 1837 H44 ACE A 1 -0.405 -11.257 -7.959 1.00 0.19 H HETATM 1838 CB ACE A 1 -0.975 -11.666 -10.621 1.00 -0.00 C HETATM 1839 CG ACE A 1 -2.203 -12.185 -11.386 1.00 0.00 C HETATM 1840 CD ACE A 1 -3.407 -12.280 -10.444 1.00 0.04 C HETATM 1841 OE1 ACE A 1 -3.283 -12.926 -9.411 1.00 -0.57 O HETATM 1842 OE2 ACE A 1 -4.435 -11.700 -10.775 1.00 -0.57 O HETATM 1843 H42 ACE A 1 -1.982 -13.181 -11.796 1.00 0.04 H HETATM 1844 H43 ACE A 1 -2.438 -11.494 -12.209 1.00 0.04 H HETATM 1845 H40 ACE A 1 -0.820 -12.274 -9.717 1.00 0.03 H HETATM 1846 H41 ACE A 1 -0.085 -11.731 -11.264 1.00 0.03 H HETATM 1847 H39 ACE A 1 -1.903 -9.728 -10.938 1.00 0.08 H HETATM 1848 H38 ACE A 1 0.710 -9.495 -9.480 1.00 0.19 H HETATM 1849 CB ACE A 1 2.165 -7.631 -10.096 1.00 0.04 C HETATM 1850 CG ACE A 1 2.602 -6.190 -10.195 1.00 -0.00 C HETATM 1851 CD1 ACE A 1 3.959 -5.868 -10.180 1.00 -0.02 C HETATM 1852 CE1 ACE A 1 4.359 -4.526 -10.169 1.00 0.01 C HETATM 1853 CZ ACE A 1 3.399 -3.510 -10.186 1.00 0.17 C HETATM 1854 CE2 ACE A 1 2.037 -3.837 -10.208 1.00 0.01 C HETATM 1855 CD2 ACE A 1 1.639 -5.175 -10.202 1.00 -0.02 C HETATM 1856 H35 ACE A 1 0.585 -5.427 -10.203 1.00 0.07 H HETATM 1857 H37 ACE A 1 1.292 -3.050 -10.230 1.00 0.07 H HETATM 1858 OH ACE A 1 3.786 -2.178 -10.167 1.00 -0.20 O HETATM 1859 P ACE A 1 4.854 -1.684 -11.193 1.00 0.13 P HETATM 1860 O1P ACE A 1 5.920 -0.983 -10.310 1.00 -0.67 O HETATM 1861 O2P ACE A 1 4.101 -0.602 -12.000 1.00 -0.67 O HETATM 1862 O3P ACE A 1 5.357 -2.945 -12.016 1.00 -0.67 O HETATM 1863 H36 ACE A 1 5.413 -4.275 -10.147 1.00 0.07 H HETATM 1864 H34 ACE A 1 4.704 -6.656 -10.177 1.00 0.07 H HETATM 1865 H32 ACE A 1 2.928 -8.180 -9.524 1.00 0.06 H HETATM 1866 H33 ACE A 1 1.209 -7.660 -9.553 1.00 0.06 H HETATM 1867 H31 ACE A 1 2.750 -9.120 -11.564 1.00 0.08 H HETATM 1868 H30 ACE A 1 1.375 -6.660 -12.722 1.00 0.19 H HETATM 1869 CB ACE A 1 3.762 -7.177 -15.998 1.00 -0.01 C HETATM 1870 CG1 ACE A 1 4.986 -8.027 -15.624 1.00 -0.06 C HETATM 1871 H24 ACE A 1 5.432 -8.448 -16.537 1.00 0.02 H HETATM 1872 H25 ACE A 1 4.675 -8.844 -14.957 1.00 0.02 H HETATM 1873 H26 ACE A 1 5.727 -7.397 -15.111 1.00 0.02 H HETATM 1874 CG2 ACE A 1 2.763 -8.047 -16.771 1.00 -0.06 C HETATM 1875 H27 ACE A 1 1.884 -7.444 -17.042 1.00 0.02 H HETATM 1876 H28 ACE A 1 2.448 -8.892 -16.141 1.00 0.02 H HETATM 1877 H29 ACE A 1 3.240 -8.430 -17.685 1.00 0.02 H HETATM 1878 H23 ACE A 1 4.099 -6.360 -16.653 1.00 0.03 H HETATM 1879 H22 ACE A 1 2.017 -6.314 -14.989 1.00 0.08 H HETATM 1880 H21 ACE A 1 4.367 -5.103 -13.723 1.00 0.19 H HETATM 1881 CB ACE A 1 4.333 -2.033 -16.483 1.00 -0.00 C HETATM 1882 CG ACE A 1 4.133 -0.570 -16.031 1.00 0.00 C HETATM 1883 CD ACE A 1 2.673 -0.306 -15.659 1.00 0.04 C HETATM 1884 OE1 ACE A 1 1.989 -1.239 -15.278 1.00 -0.57 O HETATM 1885 OE2 ACE A 1 2.256 0.833 -15.774 1.00 -0.57 O HETATM 1886 H19 ACE A 1 4.422 0.103 -16.852 1.00 0.04 H HETATM 1887 H20 ACE A 1 4.769 -0.374 -15.155 1.00 0.04 H HETATM 1888 H17 ACE A 1 3.468 -2.351 -17.083 1.00 0.03 H HETATM 1889 H18 ACE A 1 5.247 -2.105 -17.091 1.00 0.03 H HETATM 1890 H16 ACE A 1 4.053 -2.450 -14.366 1.00 0.08 H HETATM 1891 H15 ACE A 1 6.426 -3.908 -15.514 1.00 0.19 H HETATM 1892 CB ACE A 1 8.872 -1.239 -15.138 1.00 0.09 C HETATM 1893 OG1 ACE A 1 8.352 -1.256 -16.464 1.00 -0.39 O HETATM 1894 H11 ACE A 1 8.794 -0.595 -16.985 1.00 0.21 H HETATM 1895 CG2 ACE A 1 10.373 -1.470 -15.139 1.00 -0.03 C HETATM 1896 H12 ACE A 1 10.861 -0.705 -15.761 1.00 0.03 H HETATM 1897 H13 ACE A 1 10.590 -2.468 -15.547 1.00 0.03 H HETATM 1898 H14 ACE A 1 10.755 -1.404 -14.110 1.00 0.03 H HETATM 1899 H10 ACE A 1 8.674 -0.249 -14.702 1.00 0.06 H HETATM 1900 H9 ACE A 1 8.397 -2.098 -13.215 1.00 0.08 H HETATM 1901 H8 ACE A 1 8.924 -3.912 -15.581 1.00 0.19 H HETATM 1902 CB ACE A 1 9.410 -6.380 -15.447 1.00 0.04 C HETATM 1903 CG ACE A 1 10.341 -5.603 -16.385 1.00 0.04 C HETATM 1904 OD1 ACE A 1 11.527 -5.882 -16.409 1.00 -0.57 O HETATM 1905 OD2 ACE A 1 9.822 -4.757 -17.088 1.00 -0.57 O HETATM 1906 H6 ACE A 1 8.365 -6.192 -15.734 1.00 0.05 H HETATM 1907 H7 ACE A 1 9.625 -7.455 -15.529 1.00 0.05 H HETATM 1908 H5 ACE A 1 10.706 -5.915 -13.761 1.00 0.08 H HETATM 1909 H4 ACE A 1 8.146 -6.627 -12.568 1.00 0.19 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1705 1706 1707 1711 CONECT 1706 1705 CONECT 1707 1705 1708 1709 1710 CONECT 1708 1707 CONECT 1709 1707 CONECT 1710 1707 CONECT 1711 1705 1712 1909 CONECT 1712 1711 1713 1902 1908 CONECT 1713 1712 1714 1715 CONECT 1714 1713 CONECT 1715 1713 1716 1901 CONECT 1716 1715 1717 1892 1900 CONECT 1717 1716 1718 1719 CONECT 1718 1717 CONECT 1719 1717 1720 1891 CONECT 1720 1719 1721 1881 1890 CONECT 1721 1720 1722 1723 CONECT 1722 1721 CONECT 1723 1721 1724 1880 CONECT 1724 1723 1725 1869 1879 CONECT 1725 1724 1726 1727 CONECT 1726 1725 CONECT 1727 1725 1728 1868 CONECT 1728 1727 1729 1849 1867 CONECT 1729 1728 1730 1731 CONECT 1730 1729 CONECT 1731 1729 1732 1848 CONECT 1732 1731 1733 1838 1847 CONECT 1733 1732 1734 1735 CONECT 1734 1733 CONECT 1735 1733 1736 1837 CONECT 1736 1735 1737 1831 1836 CONECT 1737 1736 1738 1739 CONECT 1738 1737 CONECT 1739 1737 1740 1823 CONECT 1740 1739 1741 1821 1830 CONECT 1741 1740 1742 1743 CONECT 1742 1741 CONECT 1743 1741 1744 1820 CONECT 1744 1743 1745 1801 1819 CONECT 1745 1744 1746 1747 CONECT 1746 1745 CONECT 1747 1745 1748 1800 CONECT 1748 1747 1749 1795 1799 CONECT 1749 1748 1750 1751 CONECT 1750 1749 CONECT 1751 1749 1752 1794 CONECT 1752 1751 1753 1787 1793 CONECT 1753 1752 1754 1755 CONECT 1754 1753 CONECT 1755 1753 1756 1779 CONECT 1756 1755 1757 1777 1786 CONECT 1757 1756 1758 1759 CONECT 1758 1757 CONECT 1759 1757 1760 1776 CONECT 1760 1759 1761 1766 1775 CONECT 1761 1760 1762 1763 CONECT 1762 1761 CONECT 1763 1761 1764 1765 CONECT 1764 1763 CONECT 1765 1763 CONECT 1766 1760 1767 1773 1774 CONECT 1767 1766 1768 1771 1772 CONECT 1768 1767 1769 1770 CONECT 1769 1768 CONECT 1770 1768 CONECT 1771 1767 CONECT 1772 1767 CONECT 1773 1766 CONECT 1774 1766 CONECT 1775 1760 CONECT 1776 1759 CONECT 1777 1756 1778 1784 1785 CONECT 1778 1777 1779 1782 1783 CONECT 1779 1755 1778 1780 1781 CONECT 1780 1779 CONECT 1781 1779 CONECT 1782 1778 CONECT 1783 1778 CONECT 1784 1777 CONECT 1785 1777 CONECT 1786 1756 CONECT 1787 1752 1788 1791 1792 CONECT 1788 1787 1789 1790 CONECT 1789 1788 CONECT 1790 1788 CONECT 1791 1787 CONECT 1792 1787 CONECT 1793 1752 CONECT 1794 1751 CONECT 1795 1748 1796 1797 1798 CONECT 1796 1795 CONECT 1797 1795 CONECT 1798 1795 CONECT 1799 1748 CONECT 1800 1747 CONECT 1801 1744 1802 1817 1818 CONECT 1802 1801 1803 1807 CONECT 1803 1802 1804 1816 CONECT 1804 1803 1805 1815 CONECT 1805 1804 1806 1810 CONECT 1806 1805 1807 1809 CONECT 1807 1802 1806 1808 CONECT 1808 1807 CONECT 1809 1806 CONECT 1810 1805 1811 CONECT 1811 1810 1812 1813 1814 CONECT 1812 1811 CONECT 1813 1811 CONECT 1814 1811 CONECT 1815 1804 CONECT 1816 1803 CONECT 1817 1801 CONECT 1818 1801 CONECT 1819 1744 CONECT 1820 1743 CONECT 1821 1740 1822 1828 1829 CONECT 1822 1821 1823 1826 1827 CONECT 1823 1739 1822 1824 1825 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1822 CONECT 1827 1822 CONECT 1828 1821 CONECT 1829 1821 CONECT 1830 1740 CONECT 1831 1736 1832 1834 1835 CONECT 1832 1831 1833 CONECT 1833 1832 CONECT 1834 1831 CONECT 1835 1831 CONECT 1836 1736 CONECT 1837 1735 CONECT 1838 1732 1839 1845 1846 CONECT 1839 1838 1840 1843 1844 CONECT 1840 1839 1841 1842 CONECT 1841 1840 CONECT 1842 1840 CONECT 1843 1839 CONECT 1844 1839 CONECT 1845 1838 CONECT 1846 1838 CONECT 1847 1732 CONECT 1848 1731 CONECT 1849 1728 1850 1865 1866 CONECT 1850 1849 1851 1855 CONECT 1851 1850 1852 1864 CONECT 1852 1851 1853 1863 CONECT 1853 1852 1854 1858 CONECT 1854 1853 1855 1857 CONECT 1855 1850 1854 1856 CONECT 1856 1855 CONECT 1857 1854 CONECT 1858 1853 1859 CONECT 1859 1858 1860 1861 1862 CONECT 1860 1859 CONECT 1861 1859 CONECT 1862 1859 CONECT 1863 1852 CONECT 1864 1851 CONECT 1865 1849 CONECT 1866 1849 CONECT 1867 1728 CONECT 1868 1727 CONECT 1869 1724 1870 1874 1878 CONECT 1870 1869 1871 1872 1873 CONECT 1871 1870 CONECT 1872 1870 CONECT 1873 1870 CONECT 1874 1869 1875 1876 1877 CONECT 1875 1874 CONECT 1876 1874 CONECT 1877 1874 CONECT 1878 1869 CONECT 1879 1724 CONECT 1880 1723 CONECT 1881 1720 1882 1888 1889 CONECT 1882 1881 1883 1886 1887 CONECT 1883 1882 1884 1885 CONECT 1884 1883 CONECT 1885 1883 CONECT 1886 1882 CONECT 1887 1882 CONECT 1888 1881 CONECT 1889 1881 CONECT 1890 1720 CONECT 1891 1719 CONECT 1892 1716 1893 1895 1899 CONECT 1893 1892 1894 CONECT 1894 1893 CONECT 1895 1892 1896 1897 1898 CONECT 1896 1895 CONECT 1897 1895 CONECT 1898 1895 CONECT 1899 1892 CONECT 1900 1716 CONECT 1901 1715 CONECT 1902 1712 1903 1906 1907 CONECT 1903 1902 1904 1905 CONECT 1904 1903 CONECT 1905 1903 CONECT 1906 1902 CONECT 1907 1902 CONECT 1908 1712 CONECT 1909 1711 MASTER 0 0 0 0 0 0 0 0 1908 1 209 9 END
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Entry Information
PDB ID
2fci
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
C-termainl SH2 domain from phospholipase C-gamma-1 comprising residues 663-759( PLC纬)
Ligand Name
14-mer
EC.Number
E.C.3.1.4.11
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=70nM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
(2006) J.Mol.Biol. Vol. 356: pp. 1222-1236
Ligand Properties
Formula
C
6
8
H
9
8
N
1
4
O
3
4
P
2
Molecular Weight
1717.530
Exact Mass
1716.580
No. of atoms
216
No. of bonds
219
Polar Surface Area
797.79
LOGP Value
-0.78 (
Computed with XLOGP3
)
-3.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 32
No. of Rotatable Bonds: 56
No. of Nitrogen and Oxygen Atoms: 48
No. of Rings: 4
Canonical SMILES
OC[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N)CCC(=O)O)CC(=O)O)C)Cc1ccc(cc1)OP(O)(O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)C)CC(=O)O)CCC(=O)O)Cc1ccc(cc1)OP(O)(O)O)CCC(=O)O
InChI String
InChI=1S/C68H100N14O34P2/c1-31(2)54(79-59(99)41(20-23-51(90)91)74-66(106)55(33(4)84)80-62(102)44(28-52(92)93)71-34(5)85)65(105)76-43(27-36-12-16-38(17-13-36)116-118(112,113)114)61(101)73-40(19-22-50(88)89)58(98)78-46(30-83)68(108)82-25-7-9-48(82)64(104)75-42(26-35-10-14-37(15-11-35)115-117(109,110)111)60(100)70-32(3)57(97)77-45(29-53(94)95)67(107)81-24-6-8-47(81)63(103)72-39(56(69)96)18-21-49(86)87/h10-17,31-33,39-48,54-55,83-84,109-114,117-118H,6-9,18-30H2,1-5H3,(H2,69,96)(H,70,100)(H,71,85)(H,72,103)(H,73,101)(H,74,106)(H,75,104)(H,76,105)(H,77,97)(H,78,98)(H,79,99)(H,80,102)(H,86,87)(H,88,89)(H,90,91)(H,92,93)(H,94,95)/t32-,33+,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,54-,55-/m0/s1
Links to External Databases
RCSB PDB
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UniProtKB AC
UniProt accession number (AC):
Q32PK0
P08487
Entrez Gene ID
NCBI Entrez Gene ID:
515515
281987
ASD
Information of known allosteric effects of PDB entries
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