Browse entries in the PDBbind-CN Database
HEADER 2MG5_COMPLEX COMPND 2MG5_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 A 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 A 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 A 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 A 148 ASN GLU VAL ASP ALA ASP GLY ASN GLY THR ILE ASP PHE SEQRES 6 A 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 A 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 A 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 A 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 A 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 A 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 A 148 MET MET THR ALA LYS HET TPO A 149 249 ATOM 1 N ALA A 1 -4.221 27.891 4.030 1.00 0.00 N ATOM 2 CA ALA A 1 -5.557 27.962 3.380 1.00 0.00 C ATOM 3 C ALA A 1 -5.642 27.023 2.176 1.00 0.00 C ATOM 4 O ALA A 1 -6.662 26.356 1.976 1.00 0.00 O ATOM 5 CB ALA A 1 -5.863 29.393 2.960 1.00 0.00 C ATOM 6 HN3 ALA A 1 -3.488 28.165 3.345 1.00 0.00 H ATOM 7 HN2 ALA A 1 -4.047 26.919 4.356 1.00 0.00 H ATOM 8 HN1 ALA A 1 -4.197 28.540 4.843 1.00 0.00 H ATOM 9 N ASP A 2 -4.565 26.978 1.382 1.00 0.00 N ATOM 10 CA ASP A 2 -4.505 26.124 0.192 1.00 0.00 C ATOM 11 C ASP A 2 -3.733 24.833 0.473 1.00 0.00 C ATOM 12 O ASP A 2 -4.141 23.755 0.030 1.00 0.00 O ATOM 13 CB ASP A 2 -3.858 26.877 -0.977 1.00 0.00 C ATOM 14 CG ASP A 2 -4.741 27.985 -1.520 1.00 0.00 C ATOM 15 OD1 ASP A 2 -4.634 29.126 -1.025 1.00 0.00 O ATOM 16 OD2 ASP A 2 -5.540 27.710 -2.440 1.00 0.00 O ATOM 17 H ASP A 2 -3.743 27.569 1.618 1.00 0.00 H ATOM 18 N GLN A 3 -2.620 24.953 1.210 1.00 0.00 N ATOM 19 CA GLN A 3 -1.783 23.815 1.557 1.00 0.00 C ATOM 20 C GLN A 3 -1.386 23.846 3.029 1.00 0.00 C ATOM 21 O GLN A 3 -1.097 24.911 3.584 1.00 0.00 O ATOM 22 CB GLN A 3 -0.516 23.802 0.691 1.00 0.00 C ATOM 23 CG GLN A 3 -0.759 23.382 -0.752 1.00 0.00 C ATOM 24 CD GLN A 3 0.510 23.382 -1.581 1.00 0.00 C ATOM 25 OE1 GLN A 3 1.212 22.374 -1.663 1.00 0.00 O ATOM 26 NE2 GLN A 3 0.811 24.517 -2.202 1.00 0.00 N ATOM 27 HE22 GLN A 3 0.188 25.344 -2.104 1.00 0.00 H ATOM 28 HE21 GLN A 3 1.669 24.578 -2.786 1.00 0.00 H ATOM 29 H GLN A 3 -2.344 25.897 1.547 1.00 0.00 H ATOM 30 N LEU A 4 -1.379 22.663 3.644 1.00 0.00 N ATOM 31 CA LEU A 4 -0.958 22.493 5.037 1.00 0.00 C ATOM 32 C LEU A 4 0.372 21.750 5.003 1.00 0.00 C ATOM 33 O LEU A 4 1.387 22.236 5.512 1.00 0.00 O ATOM 34 CB LEU A 4 -2.022 21.753 5.888 1.00 0.00 C ATOM 35 CG LEU A 4 -2.691 20.520 5.252 1.00 0.00 C ATOM 36 CD1 LEU A 4 -3.071 19.511 6.325 1.00 0.00 C ATOM 37 CD2 LEU A 4 -3.923 20.928 4.454 1.00 0.00 C ATOM 38 H LEU A 4 -1.686 21.824 3.111 1.00 0.00 H ATOM 39 N THR A 5 0.337 20.561 4.393 1.00 0.00 N ATOM 40 CA THR A 5 1.490 19.759 4.155 1.00 0.00 C ATOM 41 C THR A 5 1.347 19.139 2.784 1.00 0.00 C ATOM 42 O THR A 5 0.406 18.386 2.512 1.00 0.00 O ATOM 43 CB THR A 5 1.684 18.641 5.157 1.00 0.00 C ATOM 44 OG1 THR A 5 0.431 18.024 5.481 1.00 0.00 O ATOM 45 CG2 THR A 5 2.376 19.133 6.419 1.00 0.00 C ATOM 46 HG1 THR A 5 0.027 17.649 4.659 1.00 0.00 H ATOM 47 H THR A 5 -0.585 20.201 4.074 1.00 0.00 H ATOM 48 N GLU A 6 2.292 19.474 1.936 1.00 0.00 N ATOM 49 CA GLU A 6 2.367 19.017 0.545 1.00 0.00 C ATOM 50 C GLU A 6 2.272 17.483 0.362 1.00 0.00 C ATOM 51 O GLU A 6 1.975 17.009 -0.736 1.00 0.00 O ATOM 52 CB GLU A 6 3.682 19.539 -0.016 1.00 0.00 C ATOM 53 CG GLU A 6 4.869 19.289 0.925 1.00 0.00 C ATOM 54 CD GLU A 6 5.811 18.220 0.408 1.00 0.00 C ATOM 55 OE1 GLU A 6 5.589 17.031 0.718 1.00 0.00 O ATOM 56 OE2 GLU A 6 6.773 18.572 -0.308 1.00 0.00 O ATOM 57 H GLU A 6 3.042 20.110 2.276 1.00 0.00 H ATOM 58 N GLU A 7 2.522 16.725 1.442 1.00 0.00 N ATOM 59 CA GLU A 7 2.481 15.253 1.407 1.00 0.00 C ATOM 60 C GLU A 7 1.052 14.705 1.310 1.00 0.00 C ATOM 61 O GLU A 7 0.815 13.694 0.642 1.00 0.00 O ATOM 62 CB GLU A 7 3.165 14.675 2.651 1.00 0.00 C ATOM 63 CG GLU A 7 4.682 14.797 2.633 1.00 0.00 C ATOM 64 CD GLU A 7 5.328 14.221 3.878 1.00 0.00 C ATOM 65 OE1 GLU A 7 5.653 13.015 3.874 1.00 0.00 O ATOM 66 OE2 GLU A 7 5.508 14.976 4.856 1.00 0.00 O ATOM 67 H GLU A 7 2.754 17.196 2.340 1.00 0.00 H ATOM 68 N GLN A 8 0.112 15.380 1.979 1.00 0.00 N ATOM 69 CA GLN A 8 -1.301 14.967 2.000 1.00 0.00 C ATOM 70 C GLN A 8 -2.068 15.348 0.718 1.00 0.00 C ATOM 71 O GLN A 8 -3.243 14.989 0.574 1.00 0.00 O ATOM 72 CB GLN A 8 -1.999 15.568 3.227 1.00 0.00 C ATOM 73 CG GLN A 8 -1.472 15.034 4.551 1.00 0.00 C ATOM 74 CD GLN A 8 -2.179 15.638 5.749 1.00 0.00 C ATOM 75 OE1 GLN A 8 -1.760 16.668 6.277 1.00 0.00 O ATOM 76 NE2 GLN A 8 -3.258 14.998 6.185 1.00 0.00 N ATOM 77 HE22 GLN A 8 -3.576 14.130 5.708 1.00 0.00 H ATOM 78 HE21 GLN A 8 -3.785 15.364 7.004 1.00 0.00 H ATOM 79 H GLN A 8 0.390 16.232 2.506 1.00 0.00 H ATOM 80 N ILE A 9 -1.407 16.056 -0.210 1.00 0.00 N ATOM 81 CA ILE A 9 -2.056 16.480 -1.461 1.00 0.00 C ATOM 82 C ILE A 9 -1.238 16.060 -2.694 1.00 0.00 C ATOM 83 O ILE A 9 -1.808 15.575 -3.676 1.00 0.00 O ATOM 84 CB ILE A 9 -2.308 18.026 -1.496 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.022 18.506 -0.222 1.00 0.00 C ATOM 86 CG2 ILE A 9 -3.139 18.430 -2.716 1.00 0.00 C ATOM 87 CD1 ILE A 9 -2.081 18.988 0.861 1.00 0.00 C ATOM 88 H ILE A 9 -0.413 16.311 -0.042 1.00 0.00 H ATOM 89 N ALA A 10 0.088 16.246 -2.635 1.00 0.00 N ATOM 90 CA ALA A 10 0.973 15.906 -3.759 1.00 0.00 C ATOM 91 C ALA A 10 1.388 14.437 -3.760 1.00 0.00 C ATOM 92 O ALA A 10 1.380 13.789 -4.811 1.00 0.00 O ATOM 93 CB ALA A 10 2.201 16.808 -3.758 1.00 0.00 C ATOM 94 H ALA A 10 0.504 16.643 -1.768 1.00 0.00 H ATOM 95 N GLU A 11 1.748 13.923 -2.583 1.00 0.00 N ATOM 96 CA GLU A 11 2.182 12.531 -2.429 1.00 0.00 C ATOM 97 C GLU A 11 1.009 11.541 -2.491 1.00 0.00 C ATOM 98 O GLU A 11 1.228 10.326 -2.550 1.00 0.00 O ATOM 99 CB GLU A 11 2.958 12.398 -1.122 1.00 0.00 C ATOM 100 CG GLU A 11 3.964 11.254 -1.095 1.00 0.00 C ATOM 101 CD GLU A 11 4.829 11.275 0.151 1.00 0.00 C ATOM 102 OE1 GLU A 11 4.403 10.706 1.178 1.00 0.00 O ATOM 103 OE2 GLU A 11 5.930 11.861 0.100 1.00 0.00 O ATOM 104 H GLU A 11 1.720 14.534 -1.742 1.00 0.00 H ATOM 105 N PHE A 12 -0.230 12.055 -2.456 1.00 0.00 N ATOM 106 CA PHE A 12 -1.412 11.210 -2.579 1.00 0.00 C ATOM 107 C PHE A 12 -1.549 10.781 -4.033 1.00 0.00 C ATOM 108 O PHE A 12 -1.889 9.632 -4.327 1.00 0.00 O ATOM 109 CB PHE A 12 -2.670 11.940 -2.090 1.00 0.00 C ATOM 110 CG PHE A 12 -3.775 11.019 -1.643 1.00 0.00 C ATOM 111 CD1 PHE A 12 -3.852 10.598 -0.325 1.00 0.00 C ATOM 112 CD2 PHE A 12 -4.732 10.576 -2.542 1.00 0.00 C ATOM 113 CE1 PHE A 12 -4.864 9.753 0.089 1.00 0.00 C ATOM 114 CE2 PHE A 12 -5.746 9.730 -2.134 1.00 0.00 C ATOM 115 CZ PHE A 12 -5.812 9.318 -0.817 1.00 0.00 C ATOM 116 H PHE A 12 -0.350 13.081 -2.338 1.00 0.00 H ATOM 117 N LYS A 13 -1.276 11.737 -4.935 1.00 0.00 N ATOM 118 CA LYS A 13 -1.272 11.487 -6.365 1.00 0.00 C ATOM 119 C LYS A 13 0.035 10.806 -6.771 1.00 0.00 C ATOM 120 O LYS A 13 0.315 10.562 -7.950 1.00 0.00 O ATOM 121 CB LYS A 13 -1.515 12.789 -7.125 1.00 0.00 C ATOM 122 CG LYS A 13 -2.099 12.604 -8.520 1.00 0.00 C ATOM 123 CD LYS A 13 -2.357 13.940 -9.198 1.00 0.00 C ATOM 124 CE LYS A 13 -2.945 13.755 -10.588 1.00 0.00 C ATOM 125 NZ LYS A 13 -3.206 15.059 -11.258 1.00 0.00 N ATOM 126 HZ1 LYS A 13 -3.880 15.611 -10.689 1.00 0.00 H ATOM 127 HZ2 LYS A 13 -2.314 15.586 -11.348 1.00 0.00 H ATOM 128 HZ3 LYS A 13 -3.606 14.888 -12.203 1.00 0.00 H ATOM 129 H LYS A 13 -1.059 12.696 -4.596 1.00 0.00 H ATOM 130 N GLU A 14 0.796 10.509 -5.736 1.00 0.00 N ATOM 131 CA GLU A 14 2.056 9.810 -5.822 1.00 0.00 C ATOM 132 C GLU A 14 1.796 8.352 -5.474 1.00 0.00 C ATOM 133 O GLU A 14 2.474 7.441 -5.957 1.00 0.00 O ATOM 134 CB GLU A 14 3.096 10.396 -4.881 1.00 0.00 C ATOM 135 CG GLU A 14 3.741 11.671 -5.408 1.00 0.00 C ATOM 136 CD GLU A 14 4.835 12.202 -4.500 1.00 0.00 C ATOM 137 OE1 GLU A 14 5.877 11.524 -4.365 1.00 0.00 O ATOM 138 OE2 GLU A 14 4.656 13.299 -3.931 1.00 0.00 O ATOM 139 H GLU A 14 0.466 10.798 -4.793 1.00 0.00 H ATOM 140 N ALA A 15 0.777 8.169 -4.609 1.00 0.00 N ATOM 141 CA ALA A 15 0.322 6.857 -4.163 1.00 0.00 C ATOM 142 C ALA A 15 -0.534 6.191 -5.238 1.00 0.00 C ATOM 143 O ALA A 15 -0.479 4.970 -5.413 1.00 0.00 O ATOM 144 CB ALA A 15 -0.458 6.974 -2.861 1.00 0.00 C ATOM 145 H ALA A 15 0.289 9.010 -4.240 1.00 0.00 H ATOM 146 N PHE A 16 -1.331 7.010 -5.956 1.00 0.00 N ATOM 147 CA PHE A 16 -2.178 6.519 -7.039 1.00 0.00 C ATOM 148 C PHE A 16 -1.327 6.046 -8.212 1.00 0.00 C ATOM 149 O PHE A 16 -1.698 5.121 -8.939 1.00 0.00 O ATOM 150 CB PHE A 16 -3.182 7.575 -7.499 1.00 0.00 C ATOM 151 CG PHE A 16 -4.454 6.962 -7.987 1.00 0.00 C ATOM 152 CD1 PHE A 16 -5.297 6.322 -7.101 1.00 0.00 C ATOM 153 CD2 PHE A 16 -4.791 6.999 -9.326 1.00 0.00 C ATOM 154 CE1 PHE A 16 -6.450 5.733 -7.535 1.00 0.00 C ATOM 155 CE2 PHE A 16 -5.955 6.413 -9.770 1.00 0.00 C ATOM 156 CZ PHE A 16 -6.786 5.777 -8.872 1.00 0.00 C ATOM 157 H PHE A 16 -1.342 8.025 -5.730 1.00 0.00 H ATOM 158 N SER A 17 -0.178 6.705 -8.368 1.00 0.00 N ATOM 159 CA SER A 17 0.797 6.387 -9.405 1.00 0.00 C ATOM 160 C SER A 17 1.516 5.061 -9.109 1.00 0.00 C ATOM 161 O SER A 17 2.192 4.508 -9.981 1.00 0.00 O ATOM 162 CB SER A 17 1.802 7.526 -9.490 1.00 0.00 C ATOM 163 OG SER A 17 2.651 7.392 -10.618 1.00 0.00 O ATOM 164 HG SER A 17 3.150 6.539 -10.555 1.00 0.00 H ATOM 165 H SER A 17 0.034 7.487 -7.716 1.00 0.00 H ATOM 166 N LEU A 18 1.356 4.564 -7.866 1.00 0.00 N ATOM 167 CA LEU A 18 1.969 3.304 -7.431 1.00 0.00 C ATOM 168 C LEU A 18 1.242 2.094 -8.031 1.00 0.00 C ATOM 169 O LEU A 18 1.877 1.114 -8.431 1.00 0.00 O ATOM 170 CB LEU A 18 1.968 3.188 -5.896 1.00 0.00 C ATOM 171 CG LEU A 18 2.857 4.187 -5.129 1.00 0.00 C ATOM 172 CD1 LEU A 18 2.551 4.124 -3.639 1.00 0.00 C ATOM 173 CD2 LEU A 18 4.342 3.908 -5.360 1.00 0.00 C ATOM 174 H LEU A 18 0.774 5.096 -7.188 1.00 0.00 H ATOM 175 N PHE A 19 -0.097 2.183 -8.085 1.00 0.00 N ATOM 176 CA PHE A 19 -0.939 1.113 -8.627 1.00 0.00 C ATOM 177 C PHE A 19 -1.164 1.279 -10.136 1.00 0.00 C ATOM 178 O PHE A 19 -0.858 0.372 -10.912 1.00 0.00 O ATOM 179 CB PHE A 19 -2.292 1.074 -7.898 1.00 0.00 C ATOM 180 CG PHE A 19 -2.210 0.645 -6.457 1.00 0.00 C ATOM 181 CD1 PHE A 19 -1.934 1.566 -5.458 1.00 0.00 C ATOM 182 CD2 PHE A 19 -2.419 -0.679 -6.103 1.00 0.00 C ATOM 183 CE1 PHE A 19 -1.868 1.175 -4.135 1.00 0.00 C ATOM 184 CE2 PHE A 19 -2.353 -1.076 -4.781 1.00 0.00 C ATOM 185 CZ PHE A 19 -2.078 -0.148 -3.796 1.00 0.00 C ATOM 186 H PHE A 19 -0.555 3.046 -7.728 1.00 0.00 H ATOM 187 N ASP A 20 -1.677 2.457 -10.541 1.00 0.00 N ATOM 188 CA ASP A 20 -1.978 2.759 -11.956 1.00 0.00 C ATOM 189 C ASP A 20 -0.702 2.871 -12.790 1.00 0.00 C ATOM 190 O ASP A 20 -0.030 3.908 -12.832 1.00 0.00 O ATOM 191 CB ASP A 20 -2.821 4.040 -12.067 1.00 0.00 C ATOM 192 CG ASP A 20 -4.062 3.998 -11.191 1.00 0.00 C ATOM 193 OD1 ASP A 20 -3.934 4.237 -9.973 1.00 0.00 O ATOM 194 OD2 ASP A 20 -5.154 3.708 -11.717 1.00 0.00 O ATOM 195 H ASP A 20 -1.870 3.187 -9.826 1.00 0.00 H ATOM 196 N LYS A 21 -0.391 1.750 -13.428 1.00 0.00 N ATOM 197 CA LYS A 21 0.793 1.579 -14.277 1.00 0.00 C ATOM 198 C LYS A 21 0.679 2.315 -15.621 1.00 0.00 C ATOM 199 O LYS A 21 1.696 2.618 -16.252 1.00 0.00 O ATOM 200 CB LYS A 21 1.014 0.082 -14.511 1.00 0.00 C ATOM 201 CG LYS A 21 0.760 -0.764 -13.264 1.00 0.00 C ATOM 202 CD LYS A 21 0.087 -2.083 -13.607 1.00 0.00 C ATOM 203 CE LYS A 21 0.290 -3.108 -12.506 1.00 0.00 C ATOM 204 NZ LYS A 21 1.648 -3.719 -12.553 1.00 0.00 N ATOM 205 HZ1 LYS A 21 1.781 -4.195 -13.468 1.00 0.00 H ATOM 206 HZ2 LYS A 21 2.366 -2.975 -12.440 1.00 0.00 H ATOM 207 HZ3 LYS A 21 1.742 -4.412 -11.783 1.00 0.00 H ATOM 208 H LYS A 21 -1.030 0.937 -13.319 1.00 0.00 H ATOM 209 N ASP A 22 -0.562 2.596 -16.045 1.00 0.00 N ATOM 210 CA ASP A 22 -0.827 3.280 -17.320 1.00 0.00 C ATOM 211 C ASP A 22 -0.697 4.804 -17.208 1.00 0.00 C ATOM 212 O ASP A 22 -0.495 5.483 -18.220 1.00 0.00 O ATOM 213 CB ASP A 22 -2.225 2.921 -17.833 1.00 0.00 C ATOM 214 CG ASP A 22 -2.319 1.484 -18.312 1.00 0.00 C ATOM 215 OD1 ASP A 22 -2.064 1.239 -19.510 1.00 0.00 O ATOM 216 OD2 ASP A 22 -2.649 0.604 -17.489 1.00 0.00 O ATOM 217 H ASP A 22 -1.368 2.320 -15.449 1.00 0.00 H ATOM 218 N GLY A 23 -0.814 5.334 -15.979 1.00 0.00 N ATOM 219 CA GLY A 23 -0.711 6.777 -15.751 1.00 0.00 C ATOM 220 C GLY A 23 -1.970 7.548 -16.141 1.00 0.00 C ATOM 221 O GLY A 23 -2.051 8.758 -15.912 1.00 0.00 O ATOM 222 H GLY A 23 -0.982 4.704 -15.169 1.00 0.00 H ATOM 223 N ASP A 24 -2.946 6.841 -16.729 1.00 0.00 N ATOM 224 CA ASP A 24 -4.221 7.441 -17.138 1.00 0.00 C ATOM 225 C ASP A 24 -5.236 7.391 -15.991 1.00 0.00 C ATOM 226 O ASP A 24 -6.299 8.017 -16.062 1.00 0.00 O ATOM 227 CB ASP A 24 -4.783 6.717 -18.367 1.00 0.00 C ATOM 228 CG ASP A 24 -3.978 6.991 -19.625 1.00 0.00 C ATOM 229 OD1 ASP A 24 -4.297 7.969 -20.333 1.00 0.00 O ATOM 230 OD2 ASP A 24 -3.029 6.227 -19.900 1.00 0.00 O ATOM 231 H ASP A 24 -2.793 5.827 -16.902 1.00 0.00 H ATOM 232 N GLY A 25 -4.884 6.640 -14.939 1.00 0.00 N ATOM 233 CA GLY A 25 -5.738 6.503 -13.771 1.00 0.00 C ATOM 234 C GLY A 25 -6.579 5.239 -13.787 1.00 0.00 C ATOM 235 O GLY A 25 -7.738 5.259 -13.362 1.00 0.00 O ATOM 236 H GLY A 25 -3.972 6.140 -14.959 1.00 0.00 H ATOM 237 N THR A 26 -5.992 4.139 -14.278 1.00 0.00 N ATOM 238 CA THR A 26 -6.678 2.845 -14.343 1.00 0.00 C ATOM 239 C THR A 26 -5.726 1.690 -14.161 1.00 0.00 C ATOM 240 O THR A 26 -4.662 1.634 -14.785 1.00 0.00 O ATOM 241 CB THR A 26 -7.405 2.619 -15.675 1.00 0.00 C ATOM 242 OG1 THR A 26 -6.538 2.921 -16.776 1.00 0.00 O ATOM 243 CG2 THR A 26 -8.679 3.444 -15.780 1.00 0.00 C ATOM 244 HG1 THR A 26 -5.742 2.333 -16.739 1.00 0.00 H ATOM 245 H THR A 26 -5.014 4.206 -14.626 1.00 0.00 H ATOM 246 N ILE A 27 -6.132 0.776 -13.294 1.00 0.00 N ATOM 247 CA ILE A 27 -5.346 -0.433 -13.027 1.00 0.00 C ATOM 248 C ILE A 27 -6.166 -1.689 -13.305 1.00 0.00 C ATOM 249 O ILE A 27 -7.396 -1.667 -13.241 1.00 0.00 O ATOM 250 CB ILE A 27 -4.821 -0.547 -11.578 1.00 0.00 C ATOM 251 CG1 ILE A 27 -4.911 0.762 -10.796 1.00 0.00 C ATOM 252 CG2 ILE A 27 -3.388 -1.069 -11.576 1.00 0.00 C ATOM 253 CD1 ILE A 27 -5.487 0.564 -9.416 1.00 0.00 C ATOM 254 H ILE A 27 -7.030 0.919 -12.790 1.00 0.00 H ATOM 255 N THR A 28 -5.457 -2.793 -13.566 1.00 0.00 N ATOM 256 CA THR A 28 -6.073 -4.098 -13.830 1.00 0.00 C ATOM 257 C THR A 28 -6.690 -4.669 -12.545 1.00 0.00 C ATOM 258 O THR A 28 -6.177 -4.420 -11.451 1.00 0.00 O ATOM 259 CB THR A 28 -5.016 -5.089 -14.368 1.00 0.00 C ATOM 260 OG1 THR A 28 -4.173 -4.435 -15.327 1.00 0.00 O ATOM 261 CG2 THR A 28 -5.656 -6.314 -15.021 1.00 0.00 C ATOM 262 HG1 THR A 28 -3.714 -3.672 -14.895 1.00 0.00 H ATOM 263 H THR A 28 -4.420 -2.723 -13.583 1.00 0.00 H ATOM 264 N THR A 29 -7.775 -5.447 -12.691 1.00 0.00 N ATOM 265 CA THR A 29 -8.466 -6.053 -11.538 1.00 0.00 C ATOM 266 C THR A 29 -7.640 -7.166 -10.869 1.00 0.00 C ATOM 267 O THR A 29 -7.989 -7.645 -9.786 1.00 0.00 O ATOM 268 CB THR A 29 -9.886 -6.571 -11.920 1.00 0.00 C ATOM 269 OG1 THR A 29 -10.612 -6.932 -10.738 1.00 0.00 O ATOM 270 CG2 THR A 29 -9.844 -7.770 -12.870 1.00 0.00 C ATOM 271 HG1 THR A 29 -10.123 -7.646 -10.257 1.00 0.00 H ATOM 272 H THR A 29 -8.140 -5.628 -13.648 1.00 0.00 H ATOM 273 N LYS A 30 -6.554 -7.556 -11.536 1.00 0.00 N ATOM 274 CA LYS A 30 -5.636 -8.576 -11.050 1.00 0.00 C ATOM 275 C LYS A 30 -4.753 -8.040 -9.915 1.00 0.00 C ATOM 276 O LYS A 30 -4.360 -8.790 -9.021 1.00 0.00 O ATOM 277 CB LYS A 30 -4.751 -9.034 -12.205 1.00 0.00 C ATOM 278 CG LYS A 30 -5.414 -10.035 -13.146 1.00 0.00 C ATOM 279 CD LYS A 30 -5.096 -11.472 -12.757 1.00 0.00 C ATOM 280 CE LYS A 30 -5.673 -12.459 -13.760 1.00 0.00 C ATOM 281 NZ LYS A 30 -5.418 -13.871 -13.360 1.00 0.00 N ATOM 282 HZ1 LYS A 30 -4.393 -14.032 -13.297 1.00 0.00 H ATOM 283 HZ2 LYS A 30 -5.857 -14.052 -12.435 1.00 0.00 H ATOM 284 HZ3 LYS A 30 -5.828 -14.511 -14.070 1.00 0.00 H ATOM 285 H LYS A 30 -6.352 -7.108 -12.452 1.00 0.00 H ATOM 286 N GLU A 31 -4.465 -6.730 -9.979 1.00 0.00 N ATOM 287 CA GLU A 31 -3.620 -6.025 -9.005 1.00 0.00 C ATOM 288 C GLU A 31 -4.300 -5.743 -7.690 1.00 0.00 C ATOM 289 O GLU A 31 -3.742 -6.001 -6.623 1.00 0.00 O ATOM 290 CB GLU A 31 -3.210 -4.682 -9.553 1.00 0.00 C ATOM 291 CG GLU A 31 -2.101 -4.723 -10.595 1.00 0.00 C ATOM 292 CD GLU A 31 -2.616 -4.985 -11.997 1.00 0.00 C ATOM 293 OE1 GLU A 31 -2.959 -6.149 -12.296 1.00 0.00 O ATOM 294 OE2 GLU A 31 -2.675 -4.027 -12.795 1.00 0.00 O ATOM 295 H GLU A 31 -4.865 -6.180 -10.766 1.00 0.00 H ATOM 296 N LEU A 32 -5.496 -5.172 -7.777 1.00 0.00 N ATOM 297 CA LEU A 32 -6.254 -4.788 -6.599 1.00 0.00 C ATOM 298 C LEU A 32 -6.535 -5.975 -5.720 1.00 0.00 C ATOM 299 O LEU A 32 -6.579 -5.846 -4.496 1.00 0.00 O ATOM 300 CB LEU A 32 -7.542 -4.145 -7.027 1.00 0.00 C ATOM 301 CG LEU A 32 -7.351 -2.982 -7.994 1.00 0.00 C ATOM 302 CD1 LEU A 32 -7.987 -3.303 -9.327 1.00 0.00 C ATOM 303 CD2 LEU A 32 -7.906 -1.690 -7.416 1.00 0.00 C ATOM 304 H LEU A 32 -5.902 -4.994 -8.718 1.00 0.00 H ATOM 305 N GLY A 33 -6.733 -7.137 -6.352 1.00 0.00 N ATOM 306 CA GLY A 33 -6.982 -8.326 -5.594 1.00 0.00 C ATOM 307 C GLY A 33 -5.755 -8.876 -4.927 1.00 0.00 C ATOM 308 O GLY A 33 -5.819 -9.747 -4.055 1.00 0.00 O ATOM 309 H GLY A 33 -6.706 -7.177 -7.391 1.00 0.00 H ATOM 310 N THR A 34 -4.650 -8.339 -5.374 1.00 0.00 N ATOM 311 CA THR A 34 -3.317 -8.693 -4.868 1.00 0.00 C ATOM 312 C THR A 34 -3.028 -8.023 -3.511 1.00 0.00 C ATOM 313 O THR A 34 -2.004 -8.308 -2.884 1.00 0.00 O ATOM 314 CB THR A 34 -2.190 -8.366 -5.881 1.00 0.00 C ATOM 315 OG1 THR A 34 -2.710 -8.323 -7.211 1.00 0.00 O ATOM 316 CG2 THR A 34 -1.093 -9.421 -5.823 1.00 0.00 C ATOM 317 HG1 THR A 34 -3.408 -7.623 -7.269 1.00 0.00 H ATOM 318 H THR A 34 -4.718 -7.624 -6.127 1.00 0.00 H ATOM 319 N VAL A 35 -3.944 -7.131 -3.065 1.00 0.00 N ATOM 320 CA VAL A 35 -3.800 -6.413 -1.776 1.00 0.00 C ATOM 321 C VAL A 35 -3.683 -7.396 -0.602 1.00 0.00 C ATOM 322 O VAL A 35 -3.004 -7.118 0.390 1.00 0.00 O ATOM 323 CB VAL A 35 -4.957 -5.398 -1.508 1.00 0.00 C ATOM 324 CG1 VAL A 35 -4.890 -4.236 -2.490 1.00 0.00 C ATOM 325 CG2 VAL A 35 -6.340 -6.052 -1.553 1.00 0.00 C ATOM 326 H VAL A 35 -4.783 -6.942 -3.650 1.00 0.00 H ATOM 327 N MET A 36 -4.367 -8.542 -0.739 1.00 0.00 N ATOM 328 CA MET A 36 -4.329 -9.621 0.255 1.00 0.00 C ATOM 329 C MET A 36 -2.964 -10.288 0.238 1.00 0.00 C ATOM 330 O MET A 36 -2.372 -10.552 1.284 1.00 0.00 O ATOM 331 CB MET A 36 -5.431 -10.661 -0.015 1.00 0.00 C ATOM 332 CG MET A 36 -6.846 -10.094 -0.027 1.00 0.00 C ATOM 333 SD MET A 36 -7.230 -9.220 -1.555 1.00 0.00 S ATOM 334 CE MET A 36 -8.818 -8.503 -1.144 1.00 0.00 C ATOM 335 H MET A 36 -4.951 -8.672 -1.589 1.00 0.00 H ATOM 336 N ARG A 37 -2.452 -10.481 -0.972 1.00 0.00 N ATOM 337 CA ARG A 37 -1.170 -11.147 -1.210 1.00 0.00 C ATOM 338 C ARG A 37 0.050 -10.423 -0.614 1.00 0.00 C ATOM 339 O ARG A 37 1.148 -10.987 -0.576 1.00 0.00 O ATOM 340 CB ARG A 37 -1.011 -11.388 -2.701 1.00 0.00 C ATOM 341 CG ARG A 37 -0.967 -12.858 -3.078 1.00 0.00 C ATOM 342 CD ARG A 37 -0.484 -13.052 -4.506 1.00 0.00 C ATOM 343 NE ARG A 37 -0.543 -14.458 -4.921 1.00 0.00 N ATOM 344 CZ ARG A 37 -0.163 -14.915 -6.123 1.00 0.00 C ATOM 345 NH1 ARG A 37 0.312 -14.091 -7.055 1.00 0.00 N ATOM 346 NH2 ARG A 37 -0.261 -16.210 -6.391 1.00 0.00 N ATOM 347 HE ARG A 37 -0.905 -15.150 -4.234 1.00 0.00 H ATOM 348 HH12 ARG A 37 0.601 -14.465 -7.981 1.00 0.00 H ATOM 349 HH11 ARG A 37 0.394 -13.073 -6.857 1.00 0.00 H ATOM 350 HH22 ARG A 37 0.032 -16.572 -7.321 1.00 0.00 H ATOM 351 HH21 ARG A 37 -0.631 -16.863 -5.671 1.00 0.00 H ATOM 352 H ARG A 37 -2.990 -10.141 -1.794 1.00 0.00 H ATOM 353 N SER A 38 -0.150 -9.184 -0.154 1.00 0.00 N ATOM 354 CA SER A 38 0.900 -8.404 0.518 1.00 0.00 C ATOM 355 C SER A 38 1.016 -8.896 1.956 1.00 0.00 C ATOM 356 O SER A 38 2.071 -8.814 2.590 1.00 0.00 O ATOM 357 CB SER A 38 0.536 -6.947 0.473 1.00 0.00 C ATOM 358 OG SER A 38 -0.556 -6.635 1.326 1.00 0.00 O ATOM 359 HG SER A 38 -1.350 -7.158 1.049 1.00 0.00 H ATOM 360 H SER A 38 -1.089 -8.753 -0.277 1.00 0.00 H ATOM 361 N LEU A 39 -0.126 -9.412 2.437 1.00 0.00 N ATOM 362 CA LEU A 39 -0.256 -10.031 3.751 1.00 0.00 C ATOM 363 C LEU A 39 0.223 -11.474 3.640 1.00 0.00 C ATOM 364 O LEU A 39 0.159 -12.249 4.603 1.00 0.00 O ATOM 365 CB LEU A 39 -1.738 -10.049 4.180 1.00 0.00 C ATOM 366 CG LEU A 39 -2.332 -8.706 4.618 1.00 0.00 C ATOM 367 CD1 LEU A 39 -2.905 -7.946 3.431 1.00 0.00 C ATOM 368 CD2 LEU A 39 -3.401 -8.923 5.678 1.00 0.00 C ATOM 369 H LEU A 39 -0.972 -9.368 1.834 1.00 0.00 H ATOM 370 N GLY A 40 0.731 -11.810 2.438 1.00 0.00 N ATOM 371 CA GLY A 40 1.139 -13.176 2.142 1.00 0.00 C ATOM 372 C GLY A 40 -0.097 -14.061 2.079 1.00 0.00 C ATOM 373 O GLY A 40 -0.136 -15.156 2.647 1.00 0.00 O ATOM 374 H GLY A 40 0.834 -11.078 1.706 1.00 0.00 H ATOM 375 N GLN A 41 -1.098 -13.540 1.364 1.00 0.00 N ATOM 376 CA GLN A 41 -2.410 -14.153 1.227 1.00 0.00 C ATOM 377 C GLN A 41 -2.689 -14.674 -0.172 1.00 0.00 C ATOM 378 O GLN A 41 -1.789 -15.003 -0.949 1.00 0.00 O ATOM 379 CB GLN A 41 -3.480 -13.108 1.525 1.00 0.00 C ATOM 380 CG GLN A 41 -4.338 -13.312 2.757 1.00 0.00 C ATOM 381 CD GLN A 41 -3.554 -13.545 4.042 1.00 0.00 C ATOM 382 OE1 GLN A 41 -3.247 -12.606 4.775 1.00 0.00 O ATOM 383 NE2 GLN A 41 -3.228 -14.802 4.315 1.00 0.00 N ATOM 384 HE22 GLN A 41 -3.509 -15.565 3.666 1.00 0.00 H ATOM 385 HE21 GLN A 41 -2.692 -15.024 5.178 1.00 0.00 H ATOM 386 H GLN A 41 -0.928 -12.638 0.874 1.00 0.00 H ATOM 387 N ASN A 42 -3.990 -14.725 -0.438 1.00 0.00 N ATOM 388 CA ASN A 42 -4.569 -15.213 -1.662 1.00 0.00 C ATOM 389 C ASN A 42 -5.087 -14.067 -2.558 1.00 0.00 C ATOM 390 O ASN A 42 -5.696 -13.126 -2.040 1.00 0.00 O ATOM 391 CB ASN A 42 -5.724 -16.075 -1.223 1.00 0.00 C ATOM 392 CG ASN A 42 -5.758 -17.427 -1.909 1.00 0.00 C ATOM 393 OD1 ASN A 42 -6.366 -17.583 -2.968 1.00 0.00 O ATOM 394 ND2 ASN A 42 -5.104 -18.413 -1.306 1.00 0.00 N ATOM 395 HD22 ASN A 42 -4.604 -18.235 -0.412 1.00 0.00 H ATOM 396 HD21 ASN A 42 -5.092 -19.363 -1.728 1.00 0.00 H ATOM 397 H ASN A 42 -4.642 -14.385 0.297 1.00 0.00 H ATOM 398 N PRO A 43 -4.861 -14.113 -3.914 1.00 0.00 N ATOM 399 CA PRO A 43 -5.347 -13.067 -4.836 1.00 0.00 C ATOM 400 C PRO A 43 -6.839 -13.212 -5.180 1.00 0.00 C ATOM 401 O PRO A 43 -7.280 -14.286 -5.604 1.00 0.00 O ATOM 402 CB PRO A 43 -4.495 -13.256 -6.104 1.00 0.00 C ATOM 403 CG PRO A 43 -3.601 -14.435 -5.863 1.00 0.00 C ATOM 404 CD PRO A 43 -4.133 -15.164 -4.659 1.00 0.00 C ATOM 405 N THR A 44 -7.608 -12.131 -4.985 1.00 0.00 N ATOM 406 CA THR A 44 -9.039 -12.126 -5.299 1.00 0.00 C ATOM 407 C THR A 44 -9.321 -11.469 -6.626 1.00 0.00 C ATOM 408 O THR A 44 -9.694 -10.294 -6.728 1.00 0.00 O ATOM 409 CB THR A 44 -9.887 -11.503 -4.190 1.00 0.00 C ATOM 410 OG1 THR A 44 -9.070 -10.798 -3.244 1.00 0.00 O ATOM 411 CG2 THR A 44 -10.636 -12.617 -3.511 1.00 0.00 C ATOM 412 HG1 THR A 44 -9.645 -10.407 -2.540 1.00 0.00 H ATOM 413 H THR A 44 -7.175 -11.268 -4.598 1.00 0.00 H ATOM 414 N GLU A 45 -9.095 -12.281 -7.643 1.00 0.00 N ATOM 415 CA GLU A 45 -9.302 -11.911 -9.043 1.00 0.00 C ATOM 416 C GLU A 45 -10.796 -11.820 -9.362 1.00 0.00 C ATOM 417 O GLU A 45 -11.276 -10.819 -9.899 1.00 0.00 O ATOM 418 CB GLU A 45 -8.620 -12.937 -9.966 1.00 0.00 C ATOM 419 CG GLU A 45 -8.168 -12.380 -11.316 1.00 0.00 C ATOM 420 CD GLU A 45 -9.302 -12.265 -12.321 1.00 0.00 C ATOM 421 OE1 GLU A 45 -9.538 -13.241 -13.064 1.00 0.00 O ATOM 422 OE2 GLU A 45 -9.951 -11.199 -12.364 1.00 0.00 O ATOM 423 H GLU A 45 -8.750 -13.240 -7.436 1.00 0.00 H ATOM 424 N ALA A 46 -11.507 -12.901 -9.011 1.00 0.00 N ATOM 425 CA ALA A 46 -12.938 -13.034 -9.252 1.00 0.00 C ATOM 426 C ALA A 46 -13.793 -12.130 -8.363 1.00 0.00 C ATOM 427 O ALA A 46 -14.821 -11.613 -8.811 1.00 0.00 O ATOM 428 CB ALA A 46 -13.346 -14.487 -9.088 1.00 0.00 C ATOM 429 H ALA A 46 -11.011 -13.686 -8.542 1.00 0.00 H ATOM 430 N GLU A 47 -13.364 -11.944 -7.109 1.00 0.00 N ATOM 431 CA GLU A 47 -14.100 -11.111 -6.150 1.00 0.00 C ATOM 432 C GLU A 47 -13.900 -9.614 -6.392 1.00 0.00 C ATOM 433 O GLU A 47 -14.796 -8.821 -6.101 1.00 0.00 O ATOM 434 CB GLU A 47 -13.718 -11.470 -4.714 1.00 0.00 C ATOM 435 CG GLU A 47 -14.372 -12.747 -4.209 1.00 0.00 C ATOM 436 CD GLU A 47 -14.023 -13.052 -2.765 1.00 0.00 C ATOM 437 OE1 GLU A 47 -14.562 -12.370 -1.868 1.00 0.00 O ATOM 438 OE2 GLU A 47 -13.212 -13.972 -2.532 1.00 0.00 O ATOM 439 H GLU A 47 -12.482 -12.404 -6.805 1.00 0.00 H ATOM 440 N LEU A 48 -12.720 -9.220 -6.892 1.00 0.00 N ATOM 441 CA LEU A 48 -12.445 -7.810 -7.175 1.00 0.00 C ATOM 442 C LEU A 48 -13.110 -7.357 -8.452 1.00 0.00 C ATOM 443 O LEU A 48 -13.165 -6.162 -8.740 1.00 0.00 O ATOM 444 CB LEU A 48 -10.947 -7.513 -7.121 1.00 0.00 C ATOM 445 CG LEU A 48 -10.349 -7.534 -5.693 1.00 0.00 C ATOM 446 CD1 LEU A 48 -9.867 -6.152 -5.288 1.00 0.00 C ATOM 447 CD2 LEU A 48 -11.359 -8.048 -4.661 1.00 0.00 C ATOM 448 H LEU A 48 -11.985 -9.931 -7.083 1.00 0.00 H ATOM 449 N GLN A 49 -13.596 -8.331 -9.226 1.00 0.00 N ATOM 450 CA GLN A 49 -14.395 -8.040 -10.401 1.00 0.00 C ATOM 451 C GLN A 49 -15.764 -7.656 -9.876 1.00 0.00 C ATOM 452 O GLN A 49 -16.510 -6.942 -10.525 1.00 0.00 O ATOM 453 CB GLN A 49 -14.466 -9.245 -11.348 1.00 0.00 C ATOM 454 CG GLN A 49 -14.742 -8.877 -12.800 1.00 0.00 C ATOM 455 CD GLN A 49 -14.788 -10.088 -13.711 1.00 0.00 C ATOM 456 OE1 GLN A 49 -13.770 -10.501 -14.266 1.00 0.00 O ATOM 457 NE2 GLN A 49 -15.974 -10.665 -13.869 1.00 0.00 N ATOM 458 HE22 GLN A 49 -16.808 -10.282 -13.380 1.00 0.00 H ATOM 459 HE21 GLN A 49 -16.069 -11.500 -14.482 1.00 0.00 H ATOM 460 H GLN A 49 -13.397 -9.322 -8.980 1.00 0.00 H ATOM 461 N ASP A 50 -16.065 -8.174 -8.670 1.00 0.00 N ATOM 462 CA ASP A 50 -17.284 -7.855 -7.957 1.00 0.00 C ATOM 463 C ASP A 50 -17.209 -6.448 -7.349 1.00 0.00 C ATOM 464 O ASP A 50 -18.221 -5.902 -6.899 1.00 0.00 O ATOM 465 CB ASP A 50 -17.592 -8.896 -6.874 1.00 0.00 C ATOM 466 CG ASP A 50 -18.014 -10.234 -7.452 1.00 0.00 C ATOM 467 OD1 ASP A 50 -19.220 -10.409 -7.724 1.00 0.00 O ATOM 468 OD2 ASP A 50 -17.138 -11.106 -7.632 1.00 0.00 O ATOM 469 H ASP A 50 -15.391 -8.833 -8.231 1.00 0.00 H ATOM 470 N MET A 51 -15.991 -5.874 -7.348 1.00 0.00 N ATOM 471 CA MET A 51 -15.755 -4.532 -6.800 1.00 0.00 C ATOM 472 C MET A 51 -15.362 -3.564 -7.901 1.00 0.00 C ATOM 473 O MET A 51 -15.691 -2.386 -7.816 1.00 0.00 O ATOM 474 CB MET A 51 -14.673 -4.582 -5.715 1.00 0.00 C ATOM 475 CG MET A 51 -14.931 -3.647 -4.541 1.00 0.00 C ATOM 476 SD MET A 51 -16.435 -4.063 -3.634 1.00 0.00 S ATOM 477 CE MET A 51 -17.445 -2.621 -3.965 1.00 0.00 C ATOM 478 H MET A 51 -15.189 -6.400 -7.750 1.00 0.00 H ATOM 479 N ILE A 52 -14.701 -4.079 -8.952 1.00 0.00 N ATOM 480 CA ILE A 52 -14.276 -3.271 -10.090 1.00 0.00 C ATOM 481 C ILE A 52 -15.509 -2.957 -10.907 1.00 0.00 C ATOM 482 O ILE A 52 -15.689 -1.851 -11.403 1.00 0.00 O ATOM 483 CB ILE A 52 -13.207 -4.017 -10.950 1.00 0.00 C ATOM 484 CG1 ILE A 52 -11.818 -3.893 -10.286 1.00 0.00 C ATOM 485 CG2 ILE A 52 -13.183 -3.554 -12.421 1.00 0.00 C ATOM 486 CD1 ILE A 52 -11.069 -2.601 -10.585 1.00 0.00 C ATOM 487 H ILE A 52 -14.483 -5.096 -8.954 1.00 0.00 H ATOM 488 N ASN A 53 -16.362 -3.977 -10.970 1.00 0.00 N ATOM 489 CA ASN A 53 -17.628 -3.948 -11.672 1.00 0.00 C ATOM 490 C ASN A 53 -18.553 -2.847 -11.136 1.00 0.00 C ATOM 491 O ASN A 53 -19.224 -2.154 -11.906 1.00 0.00 O ATOM 492 CB ASN A 53 -18.287 -5.307 -11.481 1.00 0.00 C ATOM 493 CG ASN A 53 -18.331 -6.119 -12.761 1.00 0.00 C ATOM 494 OD1 ASN A 53 -17.409 -6.879 -13.060 1.00 0.00 O ATOM 495 ND2 ASN A 53 -19.406 -5.963 -13.525 1.00 0.00 N ATOM 496 HD22 ASN A 53 -20.161 -5.310 -13.233 1.00 0.00 H ATOM 497 HD21 ASN A 53 -19.493 -6.494 -14.415 1.00 0.00 H ATOM 498 H ASN A 53 -16.101 -4.857 -10.481 1.00 0.00 H ATOM 499 N GLU A 54 -18.568 -2.707 -9.800 1.00 0.00 N ATOM 500 CA GLU A 54 -19.402 -1.717 -9.114 1.00 0.00 C ATOM 501 C GLU A 54 -18.750 -0.338 -9.037 1.00 0.00 C ATOM 502 O GLU A 54 -19.455 0.672 -8.942 1.00 0.00 O ATOM 503 CB GLU A 54 -19.758 -2.201 -7.701 1.00 0.00 C ATOM 504 CG GLU A 54 -20.774 -3.340 -7.666 1.00 0.00 C ATOM 505 CD GLU A 54 -22.205 -2.865 -7.850 1.00 0.00 C ATOM 506 OE1 GLU A 54 -22.864 -2.557 -6.834 1.00 0.00 O ATOM 507 OE2 GLU A 54 -22.666 -2.802 -9.009 1.00 0.00 O ATOM 508 H GLU A 54 -17.961 -3.328 -9.228 1.00 0.00 H ATOM 509 N VAL A 55 -17.416 -0.295 -9.079 1.00 0.00 N ATOM 510 CA VAL A 55 -16.698 0.984 -8.995 1.00 0.00 C ATOM 511 C VAL A 55 -16.384 1.603 -10.372 1.00 0.00 C ATOM 512 O VAL A 55 -16.101 2.796 -10.461 1.00 0.00 O ATOM 513 CB VAL A 55 -15.405 0.929 -8.130 1.00 0.00 C ATOM 514 CG1 VAL A 55 -15.753 0.734 -6.662 1.00 0.00 C ATOM 515 CG2 VAL A 55 -14.448 -0.159 -8.592 1.00 0.00 C ATOM 516 H VAL A 55 -16.877 -1.180 -9.173 1.00 0.00 H ATOM 517 N ASP A 56 -16.434 0.789 -11.436 1.00 0.00 N ATOM 518 CA ASP A 56 -16.180 1.262 -12.814 1.00 0.00 C ATOM 519 C ASP A 56 -17.409 2.046 -13.338 1.00 0.00 C ATOM 520 O ASP A 56 -18.054 1.663 -14.321 1.00 0.00 O ATOM 521 CB ASP A 56 -15.778 0.074 -13.726 1.00 0.00 C ATOM 522 CG ASP A 56 -16.807 -1.058 -13.822 1.00 0.00 C ATOM 523 OD1 ASP A 56 -18.025 -0.778 -13.830 1.00 0.00 O ATOM 524 OD2 ASP A 56 -16.383 -2.231 -13.892 1.00 0.00 O ATOM 525 H ASP A 56 -16.660 -0.215 -11.286 1.00 0.00 H ATOM 526 N ALA A 57 -17.706 3.174 -12.651 1.00 0.00 N ATOM 527 CA ALA A 57 -18.852 4.041 -12.974 1.00 0.00 C ATOM 528 C ALA A 57 -18.672 4.702 -14.324 1.00 0.00 C ATOM 529 O ALA A 57 -19.642 4.969 -15.039 1.00 0.00 O ATOM 530 CB ALA A 57 -19.051 5.089 -11.890 1.00 0.00 C ATOM 531 H ALA A 57 -17.094 3.442 -11.854 1.00 0.00 H ATOM 532 N ASP A 58 -17.411 4.958 -14.647 1.00 0.00 N ATOM 533 CA ASP A 58 -17.042 5.530 -15.920 1.00 0.00 C ATOM 534 C ASP A 58 -16.589 4.396 -16.834 1.00 0.00 C ATOM 535 O ASP A 58 -16.031 4.600 -17.918 1.00 0.00 O ATOM 536 CB ASP A 58 -15.956 6.604 -15.750 1.00 0.00 C ATOM 537 CG ASP A 58 -15.912 7.585 -16.910 1.00 0.00 C ATOM 538 OD1 ASP A 58 -15.176 7.321 -17.883 1.00 0.00 O ATOM 539 OD2 ASP A 58 -16.615 8.615 -16.842 1.00 0.00 O ATOM 540 H ASP A 58 -16.662 4.739 -13.959 1.00 0.00 H ATOM 541 N GLY A 59 -16.904 3.198 -16.338 1.00 0.00 N ATOM 542 CA GLY A 59 -16.596 1.913 -16.961 1.00 0.00 C ATOM 543 C GLY A 59 -15.291 1.873 -17.738 1.00 0.00 C ATOM 544 O GLY A 59 -15.290 1.955 -18.970 1.00 0.00 O ATOM 545 H GLY A 59 -17.412 3.177 -15.431 1.00 0.00 H ATOM 546 N ASN A 60 -14.190 1.746 -17.003 1.00 0.00 N ATOM 547 CA ASN A 60 -12.859 1.695 -17.574 1.00 0.00 C ATOM 548 C ASN A 60 -12.417 0.269 -17.864 1.00 0.00 C ATOM 549 O ASN A 60 -11.325 0.051 -18.404 1.00 0.00 O ATOM 550 CB ASN A 60 -11.883 2.324 -16.568 1.00 0.00 C ATOM 551 CG ASN A 60 -12.091 3.821 -16.414 1.00 0.00 C ATOM 552 OD1 ASN A 60 -11.367 4.624 -17.003 1.00 0.00 O ATOM 553 ND2 ASN A 60 -13.094 4.200 -15.633 1.00 0.00 N ATOM 554 HD22 ASN A 60 -13.680 3.486 -15.155 1.00 0.00 H ATOM 555 HD21 ASN A 60 -13.295 5.212 -15.499 1.00 0.00 H ATOM 556 H ASN A 60 -14.289 1.680 -15.970 1.00 0.00 H ATOM 557 N GLY A 61 -13.280 -0.706 -17.531 1.00 0.00 N ATOM 558 CA GLY A 61 -12.918 -2.105 -17.653 1.00 0.00 C ATOM 559 C GLY A 61 -12.046 -2.464 -16.489 1.00 0.00 C ATOM 560 O GLY A 61 -12.045 -3.586 -15.974 1.00 0.00 O ATOM 561 H GLY A 61 -14.225 -0.452 -17.179 1.00 0.00 H ATOM 562 N THR A 62 -11.303 -1.435 -16.109 1.00 0.00 N ATOM 563 CA THR A 62 -10.402 -1.445 -15.022 1.00 0.00 C ATOM 564 C THR A 62 -11.037 -0.571 -13.928 1.00 0.00 C ATOM 565 O THR A 62 -12.214 -0.763 -13.607 1.00 0.00 O ATOM 566 CB THR A 62 -9.009 -0.898 -15.464 1.00 0.00 C ATOM 567 OG1 THR A 62 -9.175 0.416 -15.997 1.00 0.00 O ATOM 568 CG2 THR A 62 -8.316 -1.765 -16.530 1.00 0.00 C ATOM 569 HG1 THR A 62 -9.784 0.380 -16.777 1.00 0.00 H ATOM 570 H THR A 62 -11.390 -0.553 -16.653 1.00 0.00 H ATOM 571 N ILE A 63 -10.283 0.370 -13.357 1.00 0.00 N ATOM 572 CA ILE A 63 -10.822 1.247 -12.313 1.00 0.00 C ATOM 573 C ILE A 63 -10.400 2.700 -12.551 1.00 0.00 C ATOM 574 O ILE A 63 -9.278 2.943 -12.990 1.00 0.00 O ATOM 575 CB ILE A 63 -10.364 0.706 -10.938 1.00 0.00 C ATOM 576 CG1 ILE A 63 -11.479 0.804 -9.871 1.00 0.00 C ATOM 577 CG2 ILE A 63 -9.036 1.300 -10.445 1.00 0.00 C ATOM 578 CD1 ILE A 63 -11.935 2.214 -9.491 1.00 0.00 C ATOM 579 H ILE A 63 -9.294 0.484 -13.658 1.00 0.00 H ATOM 580 N ASP A 64 -11.269 3.656 -12.231 1.00 0.00 N ATOM 581 CA ASP A 64 -10.954 5.064 -12.448 1.00 0.00 C ATOM 582 C ASP A 64 -10.413 5.781 -11.184 1.00 0.00 C ATOM 583 O ASP A 64 -10.210 5.155 -10.140 1.00 0.00 O ATOM 584 CB ASP A 64 -12.194 5.771 -13.032 1.00 0.00 C ATOM 585 CG ASP A 64 -13.416 5.739 -12.116 1.00 0.00 C ATOM 586 OD1 ASP A 64 -13.811 4.634 -11.688 1.00 0.00 O ATOM 587 OD2 ASP A 64 -13.976 6.819 -11.837 1.00 0.00 O ATOM 588 H ASP A 64 -12.188 3.395 -11.819 1.00 0.00 H ATOM 589 N PHE A 65 -10.191 7.109 -11.319 1.00 0.00 N ATOM 590 CA PHE A 65 -9.644 7.974 -10.253 1.00 0.00 C ATOM 591 C PHE A 65 -10.592 8.206 -9.042 1.00 0.00 C ATOM 592 O PHE A 65 -10.205 7.880 -7.917 1.00 0.00 O ATOM 593 CB PHE A 65 -9.246 9.330 -10.841 1.00 0.00 C ATOM 594 CG PHE A 65 -7.840 9.671 -10.508 1.00 0.00 C ATOM 595 CD1 PHE A 65 -7.518 10.173 -9.258 1.00 0.00 C ATOM 596 CD2 PHE A 65 -6.833 9.442 -11.423 1.00 0.00 C ATOM 597 CE1 PHE A 65 -6.215 10.434 -8.929 1.00 0.00 C ATOM 598 CE2 PHE A 65 -5.529 9.714 -11.101 1.00 0.00 C ATOM 599 CZ PHE A 65 -5.224 10.204 -9.852 1.00 0.00 C ATOM 600 H PHE A 65 -10.420 7.550 -12.233 1.00 0.00 H ATOM 601 N PRO A 66 -11.842 8.766 -9.229 1.00 0.00 N ATOM 602 CA PRO A 66 -12.755 9.082 -8.104 1.00 0.00 C ATOM 603 C PRO A 66 -13.393 7.869 -7.419 1.00 0.00 C ATOM 604 O PRO A 66 -13.476 7.825 -6.188 1.00 0.00 O ATOM 605 CB PRO A 66 -13.848 9.960 -8.751 1.00 0.00 C ATOM 606 CG PRO A 66 -13.379 10.246 -10.139 1.00 0.00 C ATOM 607 CD PRO A 66 -12.498 9.096 -10.514 1.00 0.00 C ATOM 608 N GLU A 67 -13.836 6.892 -8.218 1.00 0.00 N ATOM 609 CA GLU A 67 -14.510 5.697 -7.704 1.00 0.00 C ATOM 610 C GLU A 67 -13.553 4.651 -7.095 1.00 0.00 C ATOM 611 O GLU A 67 -13.970 3.526 -6.790 1.00 0.00 O ATOM 612 CB GLU A 67 -15.351 5.064 -8.818 1.00 0.00 C ATOM 613 CG GLU A 67 -16.623 5.835 -9.158 1.00 0.00 C ATOM 614 CD GLU A 67 -17.753 5.580 -8.174 1.00 0.00 C ATOM 615 OE1 GLU A 67 -18.540 4.638 -8.405 1.00 0.00 O ATOM 616 OE2 GLU A 67 -17.848 6.323 -7.175 1.00 0.00 O ATOM 617 H GLU A 67 -13.697 6.984 -9.244 1.00 0.00 H ATOM 618 N PHE A 68 -12.281 5.027 -6.900 1.00 0.00 N ATOM 619 CA PHE A 68 -11.278 4.125 -6.318 1.00 0.00 C ATOM 620 C PHE A 68 -11.486 3.944 -4.800 1.00 0.00 C ATOM 621 O PHE A 68 -11.491 2.816 -4.303 1.00 0.00 O ATOM 622 CB PHE A 68 -9.861 4.651 -6.619 1.00 0.00 C ATOM 623 CG PHE A 68 -8.751 3.729 -6.202 1.00 0.00 C ATOM 624 CD1 PHE A 68 -8.336 2.704 -7.032 1.00 0.00 C ATOM 625 CD2 PHE A 68 -8.126 3.898 -4.979 1.00 0.00 C ATOM 626 CE1 PHE A 68 -7.314 1.862 -6.650 1.00 0.00 C ATOM 627 CE2 PHE A 68 -7.104 3.059 -4.592 1.00 0.00 C ATOM 628 CZ PHE A 68 -6.699 2.041 -5.429 1.00 0.00 C ATOM 629 H PHE A 68 -11.995 5.990 -7.170 1.00 0.00 H ATOM 630 N LEU A 69 -11.653 5.066 -4.083 1.00 0.00 N ATOM 631 CA LEU A 69 -11.843 5.059 -2.621 1.00 0.00 C ATOM 632 C LEU A 69 -13.233 4.564 -2.181 1.00 0.00 C ATOM 633 O LEU A 69 -13.463 4.368 -0.982 1.00 0.00 O ATOM 634 CB LEU A 69 -11.597 6.466 -2.057 1.00 0.00 C ATOM 635 CG LEU A 69 -10.143 6.955 -2.104 1.00 0.00 C ATOM 636 CD1 LEU A 69 -9.841 7.638 -3.432 1.00 0.00 C ATOM 637 CD2 LEU A 69 -9.864 7.899 -0.944 1.00 0.00 C ATOM 638 H LEU A 69 -11.648 5.980 -4.580 1.00 0.00 H ATOM 639 N THR A 70 -14.151 4.353 -3.140 1.00 0.00 N ATOM 640 CA THR A 70 -15.512 3.900 -2.826 1.00 0.00 C ATOM 641 C THR A 70 -15.590 2.448 -2.417 1.00 0.00 C ATOM 642 O THR A 70 -16.510 2.053 -1.694 1.00 0.00 O ATOM 643 CB THR A 70 -16.511 4.157 -3.971 1.00 0.00 C ATOM 644 OG1 THR A 70 -15.830 4.604 -5.150 1.00 0.00 O ATOM 645 CG2 THR A 70 -17.547 5.190 -3.560 1.00 0.00 C ATOM 646 HG1 THR A 70 -15.184 3.912 -5.439 1.00 0.00 H ATOM 647 H THR A 70 -13.890 4.515 -4.133 1.00 0.00 H ATOM 648 N MET A 71 -14.652 1.654 -2.890 1.00 0.00 N ATOM 649 CA MET A 71 -14.584 0.256 -2.508 1.00 0.00 C ATOM 650 C MET A 71 -14.106 0.154 -1.056 1.00 0.00 C ATOM 651 O MET A 71 -14.522 -0.731 -0.303 1.00 0.00 O ATOM 652 CB MET A 71 -13.684 -0.482 -3.481 1.00 0.00 C ATOM 653 CG MET A 71 -12.228 -0.020 -3.518 1.00 0.00 C ATOM 654 SD MET A 71 -11.208 -1.011 -4.626 1.00 0.00 S ATOM 655 CE MET A 71 -9.606 -0.250 -4.379 1.00 0.00 C ATOM 656 H MET A 71 -13.946 2.037 -3.551 1.00 0.00 H ATOM 657 N MET A 72 -13.219 1.094 -0.701 1.00 0.00 N ATOM 658 CA MET A 72 -12.696 1.234 0.654 1.00 0.00 C ATOM 659 C MET A 72 -13.761 1.917 1.530 1.00 0.00 C ATOM 660 O MET A 72 -13.751 1.783 2.754 1.00 0.00 O ATOM 661 CB MET A 72 -11.405 2.072 0.626 1.00 0.00 C ATOM 662 CG MET A 72 -10.515 1.916 1.857 1.00 0.00 C ATOM 663 SD MET A 72 -9.429 0.482 1.758 1.00 0.00 S ATOM 664 CE MET A 72 -8.709 0.494 3.399 1.00 0.00 C ATOM 665 H MET A 72 -12.886 1.758 -1.429 1.00 0.00 H ATOM 666 N ALA A 73 -14.689 2.635 0.856 1.00 0.00 N ATOM 667 CA ALA A 73 -15.775 3.385 1.501 1.00 0.00 C ATOM 668 C ALA A 73 -16.734 2.521 2.323 1.00 0.00 C ATOM 669 O ALA A 73 -17.123 2.912 3.427 1.00 0.00 O ATOM 670 CB ALA A 73 -16.554 4.137 0.441 1.00 0.00 C ATOM 671 H ALA A 73 -14.630 2.657 -0.182 1.00 0.00 H ATOM 672 N ARG A 74 -17.112 1.353 1.783 1.00 0.00 N ATOM 673 CA ARG A 74 -18.040 0.441 2.456 1.00 0.00 C ATOM 674 C ARG A 74 -17.482 -0.035 3.806 1.00 0.00 C ATOM 675 O ARG A 74 -18.186 -0.010 4.816 1.00 0.00 O ATOM 676 CB ARG A 74 -18.354 -0.761 1.545 1.00 0.00 C ATOM 677 CG ARG A 74 -19.734 -1.380 1.768 1.00 0.00 C ATOM 678 CD ARG A 74 -20.814 -0.666 0.966 1.00 0.00 C ATOM 679 NE ARG A 74 -22.142 -1.247 1.193 1.00 0.00 N ATOM 680 CZ ARG A 74 -23.274 -0.815 0.618 1.00 0.00 C ATOM 681 NH1 ARG A 74 -23.266 0.211 -0.231 1.00 0.00 N ATOM 682 NH2 ARG A 74 -24.421 -1.418 0.897 1.00 0.00 N ATOM 683 HE ARG A 74 -22.210 -2.052 1.847 1.00 0.00 H ATOM 684 HH12 ARG A 74 -24.154 0.532 -0.667 1.00 0.00 H ATOM 685 HH11 ARG A 74 -22.372 0.691 -0.458 1.00 0.00 H ATOM 686 HH22 ARG A 74 -25.303 -1.088 0.455 1.00 0.00 H ATOM 687 HH21 ARG A 74 -24.439 -2.221 1.558 1.00 0.00 H ATOM 688 H ARG A 74 -16.732 1.085 0.853 1.00 0.00 H ATOM 689 N LYS A 75 -16.232 -0.502 3.795 1.00 0.00 N ATOM 690 CA LYS A 75 -15.554 -0.979 5.005 1.00 0.00 C ATOM 691 C LYS A 75 -14.932 0.162 5.840 1.00 0.00 C ATOM 692 O LYS A 75 -14.434 -0.092 6.943 1.00 0.00 O ATOM 693 CB LYS A 75 -14.465 -2.010 4.641 1.00 0.00 C ATOM 694 CG LYS A 75 -14.865 -3.032 3.569 1.00 0.00 C ATOM 695 CD LYS A 75 -15.889 -4.038 4.078 1.00 0.00 C ATOM 696 CE LYS A 75 -16.291 -5.024 2.993 1.00 0.00 C ATOM 697 NZ LYS A 75 -17.294 -6.010 3.482 1.00 0.00 N ATOM 698 HZ1 LYS A 75 -16.892 -6.546 4.277 1.00 0.00 H ATOM 699 HZ2 LYS A 75 -18.148 -5.507 3.798 1.00 0.00 H ATOM 700 HZ3 LYS A 75 -17.540 -6.663 2.711 1.00 0.00 H ATOM 701 H LYS A 75 -15.718 -0.529 2.892 1.00 0.00 H ATOM 702 N MET A 76 -14.967 1.415 5.332 1.00 0.00 N ATOM 703 CA MET A 76 -14.356 2.553 6.034 1.00 0.00 C ATOM 704 C MET A 76 -15.195 3.102 7.207 1.00 0.00 C ATOM 705 O MET A 76 -15.070 4.274 7.586 1.00 0.00 O ATOM 706 CB MET A 76 -14.009 3.659 5.023 1.00 0.00 C ATOM 707 CG MET A 76 -12.831 4.535 5.435 1.00 0.00 C ATOM 708 SD MET A 76 -12.453 5.808 4.215 1.00 0.00 S ATOM 709 CE MET A 76 -11.047 6.608 4.984 1.00 0.00 C ATOM 710 H MET A 76 -15.439 1.578 4.420 1.00 0.00 H ATOM 711 N LYS A 77 -16.021 2.238 7.781 1.00 0.00 N ATOM 712 CA LYS A 77 -16.851 2.576 8.921 1.00 0.00 C ATOM 713 C LYS A 77 -16.102 2.369 10.246 1.00 0.00 C ATOM 714 O LYS A 77 -15.970 1.240 10.734 1.00 0.00 O ATOM 715 CB LYS A 77 -18.138 1.748 8.880 1.00 0.00 C ATOM 716 CG LYS A 77 -19.221 2.357 8.004 1.00 0.00 C ATOM 717 CD LYS A 77 -18.919 2.231 6.517 1.00 0.00 C ATOM 718 CE LYS A 77 -20.012 2.857 5.661 1.00 0.00 C ATOM 719 NZ LYS A 77 -21.256 2.036 5.647 1.00 0.00 N ATOM 720 HZ1 LYS A 77 -21.044 1.093 5.262 1.00 0.00 H ATOM 721 HZ2 LYS A 77 -21.619 1.942 6.617 1.00 0.00 H ATOM 722 HZ3 LYS A 77 -21.971 2.502 5.052 1.00 0.00 H ATOM 723 H LYS A 77 -16.076 1.274 7.396 1.00 0.00 H ATOM 724 N ASP A 78 -15.591 3.482 10.811 1.00 0.00 N ATOM 725 CA ASP A 78 -14.836 3.488 12.089 1.00 0.00 C ATOM 726 C ASP A 78 -13.555 2.643 12.004 1.00 0.00 C ATOM 727 O ASP A 78 -13.598 1.410 12.104 1.00 0.00 O ATOM 728 CB ASP A 78 -15.712 3.026 13.273 1.00 0.00 C ATOM 729 CG ASP A 78 -16.822 4.009 13.596 1.00 0.00 C ATOM 730 OD1 ASP A 78 -17.923 3.872 13.022 1.00 0.00 O ATOM 731 OD2 ASP A 78 -16.590 4.915 14.424 1.00 0.00 O ATOM 732 H ASP A 78 -15.734 4.389 10.323 1.00 0.00 H ATOM 733 N THR A 79 -12.421 3.325 11.794 1.00 0.00 N ATOM 734 CA THR A 79 -11.108 2.672 11.688 1.00 0.00 C ATOM 735 C THR A 79 -10.524 2.335 13.061 1.00 0.00 C ATOM 736 O THR A 79 -10.744 3.064 14.032 1.00 0.00 O ATOM 737 CB THR A 79 -10.095 3.548 10.920 1.00 0.00 C ATOM 738 OG1 THR A 79 -10.121 4.889 11.425 1.00 0.00 O ATOM 739 CG2 THR A 79 -10.394 3.555 9.426 1.00 0.00 C ATOM 740 HG1 THR A 79 -9.883 4.883 12.386 1.00 0.00 H ATOM 741 H THR A 79 -12.472 4.360 11.702 1.00 0.00 H ATOM 742 N ASP A 80 -9.781 1.222 13.124 1.00 0.00 N ATOM 743 CA ASP A 80 -9.145 0.769 14.355 1.00 0.00 C ATOM 744 C ASP A 80 -7.701 1.280 14.446 1.00 0.00 C ATOM 745 O ASP A 80 -7.143 1.756 13.452 1.00 0.00 O ATOM 746 CB ASP A 80 -9.178 -0.763 14.444 1.00 0.00 C ATOM 747 CG ASP A 80 -10.578 -1.307 14.662 1.00 0.00 C ATOM 748 OD1 ASP A 80 -10.980 -1.457 15.835 1.00 0.00 O ATOM 749 OD2 ASP A 80 -11.271 -1.582 13.660 1.00 0.00 O ATOM 750 H ASP A 80 -9.653 0.658 12.260 1.00 0.00 H ATOM 751 N SER A 81 -7.107 1.192 15.645 1.00 0.00 N ATOM 752 CA SER A 81 -5.732 1.652 15.871 1.00 0.00 C ATOM 753 C SER A 81 -4.686 0.607 15.420 1.00 0.00 C ATOM 754 O SER A 81 -4.396 0.499 14.226 1.00 0.00 O ATOM 755 CB SER A 81 -5.542 2.038 17.346 1.00 0.00 C ATOM 756 OG SER A 81 -6.428 3.079 17.719 1.00 0.00 O ATOM 757 HG SER A 81 -6.285 3.307 18.672 1.00 0.00 H ATOM 758 H SER A 81 -7.638 0.784 16.441 1.00 0.00 H ATOM 759 N GLU A 82 -4.146 -0.169 16.380 1.00 0.00 N ATOM 760 CA GLU A 82 -3.123 -1.190 16.128 1.00 0.00 C ATOM 761 C GLU A 82 -3.556 -2.263 15.129 1.00 0.00 C ATOM 762 O GLU A 82 -2.701 -2.878 14.488 1.00 0.00 O ATOM 763 CB GLU A 82 -2.697 -1.842 17.449 1.00 0.00 C ATOM 764 CG GLU A 82 -1.221 -2.214 17.507 1.00 0.00 C ATOM 765 CD GLU A 82 -0.831 -2.848 18.829 1.00 0.00 C ATOM 766 OE1 GLU A 82 -0.445 -2.102 19.754 1.00 0.00 O ATOM 767 OE2 GLU A 82 -0.911 -4.089 18.938 1.00 0.00 O ATOM 768 H GLU A 82 -4.474 -0.036 17.358 1.00 0.00 H ATOM 769 N GLU A 83 -4.867 -2.493 14.997 1.00 0.00 N ATOM 770 CA GLU A 83 -5.371 -3.482 14.037 1.00 0.00 C ATOM 771 C GLU A 83 -5.148 -2.978 12.616 1.00 0.00 C ATOM 772 O GLU A 83 -4.805 -3.754 11.722 1.00 0.00 O ATOM 773 CB GLU A 83 -6.853 -3.791 14.276 1.00 0.00 C ATOM 774 CG GLU A 83 -7.120 -4.598 15.539 1.00 0.00 C ATOM 775 CD GLU A 83 -8.594 -4.884 15.747 1.00 0.00 C ATOM 776 OE1 GLU A 83 -9.273 -4.061 16.397 1.00 0.00 O ATOM 777 OE2 GLU A 83 -9.070 -5.931 15.260 1.00 0.00 O ATOM 778 H GLU A 83 -5.541 -1.962 15.585 1.00 0.00 H ATOM 779 N GLU A 84 -5.343 -1.664 12.430 1.00 0.00 N ATOM 780 CA GLU A 84 -5.107 -1.014 11.142 1.00 0.00 C ATOM 781 C GLU A 84 -3.604 -0.797 10.938 1.00 0.00 C ATOM 782 O GLU A 84 -3.136 -0.690 9.801 1.00 0.00 O ATOM 783 CB GLU A 84 -5.857 0.323 11.049 1.00 0.00 C ATOM 784 CG GLU A 84 -7.371 0.185 10.896 1.00 0.00 C ATOM 785 CD GLU A 84 -7.803 -0.198 9.491 1.00 0.00 C ATOM 786 OE1 GLU A 84 -7.630 0.627 8.569 1.00 0.00 O ATOM 787 OE2 GLU A 84 -8.315 -1.323 9.316 1.00 0.00 O ATOM 788 H GLU A 84 -5.674 -1.088 13.230 1.00 0.00 H ATOM 789 N ILE A 85 -2.850 -0.733 12.063 1.00 0.00 N ATOM 790 CA ILE A 85 -1.403 -0.571 12.034 1.00 0.00 C ATOM 791 C ILE A 85 -0.745 -1.884 11.620 1.00 0.00 C ATOM 792 O ILE A 85 0.186 -1.889 10.810 1.00 0.00 O ATOM 793 CB ILE A 85 -0.916 -0.093 13.434 1.00 0.00 C ATOM 794 CG1 ILE A 85 -0.715 1.431 13.470 1.00 0.00 C ATOM 795 CG2 ILE A 85 0.354 -0.799 13.895 1.00 0.00 C ATOM 796 CD1 ILE A 85 -1.983 2.220 13.730 1.00 0.00 C ATOM 797 H ILE A 85 -3.325 -0.803 12.986 1.00 0.00 H ATOM 798 N ARG A 86 -1.241 -2.994 12.189 1.00 0.00 N ATOM 799 CA ARG A 86 -0.722 -4.325 11.847 1.00 0.00 C ATOM 800 C ARG A 86 -1.090 -4.685 10.404 1.00 0.00 C ATOM 801 O ARG A 86 -0.405 -5.485 9.765 1.00 0.00 O ATOM 802 CB ARG A 86 -1.235 -5.405 12.794 1.00 0.00 C ATOM 803 CG ARG A 86 -0.781 -5.239 14.240 1.00 0.00 C ATOM 804 CD ARG A 86 -1.345 -6.331 15.139 1.00 0.00 C ATOM 805 NE ARG A 86 -0.674 -7.622 14.937 1.00 0.00 N ATOM 806 CZ ARG A 86 -0.987 -8.755 15.582 1.00 0.00 C ATOM 807 NH1 ARG A 86 -1.967 -8.787 16.484 1.00 0.00 N ATOM 808 NH2 ARG A 86 -0.312 -9.866 15.319 1.00 0.00 N ATOM 809 HE ARG A 86 0.100 -7.660 14.243 1.00 0.00 H ATOM 810 HH12 ARG A 86 -2.194 -9.676 16.974 1.00 0.00 H ATOM 811 HH11 ARG A 86 -2.505 -7.923 16.699 1.00 0.00 H ATOM 812 HH22 ARG A 86 -0.549 -10.748 15.815 1.00 0.00 H ATOM 813 HH21 ARG A 86 0.455 -9.855 14.616 1.00 0.00 H ATOM 814 H ARG A 86 -2.008 -2.910 12.886 1.00 0.00 H ATOM 815 N GLU A 87 -2.192 -4.079 9.908 1.00 0.00 N ATOM 816 CA GLU A 87 -2.659 -4.261 8.527 1.00 0.00 C ATOM 817 C GLU A 87 -1.752 -3.562 7.538 1.00 0.00 C ATOM 818 O GLU A 87 -2.055 -3.458 6.342 1.00 0.00 O ATOM 819 CB GLU A 87 -4.120 -3.825 8.366 1.00 0.00 C ATOM 820 CG GLU A 87 -5.118 -4.832 8.920 1.00 0.00 C ATOM 821 CD GLU A 87 -6.539 -4.305 8.927 1.00 0.00 C ATOM 822 OE1 GLU A 87 -6.864 -3.486 9.812 1.00 0.00 O ATOM 823 OE2 GLU A 87 -7.327 -4.715 8.050 1.00 0.00 O ATOM 824 H GLU A 87 -2.736 -3.453 10.535 1.00 0.00 H ATOM 825 N ALA A 88 -0.624 -3.104 8.059 1.00 0.00 N ATOM 826 CA ALA A 88 0.388 -2.497 7.261 1.00 0.00 C ATOM 827 C ALA A 88 1.768 -2.925 7.748 1.00 0.00 C ATOM 828 O ALA A 88 2.718 -2.956 6.971 1.00 0.00 O ATOM 829 CB ALA A 88 0.258 -0.977 7.230 1.00 0.00 C ATOM 830 H ALA A 88 -0.472 -3.190 9.084 1.00 0.00 H ATOM 831 N PHE A 89 1.858 -3.242 9.049 1.00 0.00 N ATOM 832 CA PHE A 89 3.107 -3.669 9.681 1.00 0.00 C ATOM 833 C PHE A 89 3.518 -5.113 9.333 1.00 0.00 C ATOM 834 O PHE A 89 4.539 -5.309 8.674 1.00 0.00 O ATOM 835 CB PHE A 89 3.059 -3.469 11.205 1.00 0.00 C ATOM 836 CG PHE A 89 4.425 -3.403 11.842 1.00 0.00 C ATOM 837 CD1 PHE A 89 5.158 -2.228 11.827 1.00 0.00 C ATOM 838 CD2 PHE A 89 4.975 -4.523 12.441 1.00 0.00 C ATOM 839 CE1 PHE A 89 6.414 -2.171 12.399 1.00 0.00 C ATOM 840 CE2 PHE A 89 6.230 -4.472 13.015 1.00 0.00 C ATOM 841 CZ PHE A 89 6.951 -3.295 12.994 1.00 0.00 C ATOM 842 H PHE A 89 1.001 -3.181 9.635 1.00 0.00 H ATOM 843 N ARG A 90 2.715 -6.120 9.758 1.00 0.00 N ATOM 844 CA ARG A 90 3.041 -7.546 9.505 1.00 0.00 C ATOM 845 C ARG A 90 2.841 -7.863 8.038 1.00 0.00 C ATOM 846 O ARG A 90 3.317 -8.874 7.513 1.00 0.00 O ATOM 847 CB ARG A 90 2.180 -8.472 10.377 1.00 0.00 C ATOM 848 CG ARG A 90 2.665 -8.603 11.819 1.00 0.00 C ATOM 849 CD ARG A 90 2.123 -7.492 12.709 1.00 0.00 C ATOM 850 NE ARG A 90 2.690 -7.546 14.061 1.00 0.00 N ATOM 851 CZ ARG A 90 2.814 -6.492 14.881 1.00 0.00 C ATOM 852 NH1 ARG A 90 2.415 -5.278 14.508 1.00 0.00 N ATOM 853 NH2 ARG A 90 3.344 -6.658 16.085 1.00 0.00 N ATOM 854 HE ARG A 90 3.020 -8.469 14.409 1.00 0.00 H ATOM 855 HH12 ARG A 90 2.520 -4.473 15.159 1.00 0.00 H ATOM 856 HH11 ARG A 90 1.998 -5.134 13.566 1.00 0.00 H ATOM 857 HH22 ARG A 90 3.443 -5.845 16.726 1.00 0.00 H ATOM 858 HH21 ARG A 90 3.661 -7.601 16.388 1.00 0.00 H ATOM 859 H ARG A 90 1.845 -5.886 10.277 1.00 0.00 H ATOM 860 N VAL A 91 2.116 -6.953 7.411 1.00 0.00 N ATOM 861 CA VAL A 91 1.805 -6.974 5.999 1.00 0.00 C ATOM 862 C VAL A 91 3.053 -6.534 5.222 1.00 0.00 C ATOM 863 O VAL A 91 3.306 -6.980 4.100 1.00 0.00 O ATOM 864 CB VAL A 91 0.608 -6.020 5.743 1.00 0.00 C ATOM 865 CG1 VAL A 91 0.009 -6.197 4.350 1.00 0.00 C ATOM 866 CG2 VAL A 91 -0.440 -6.207 6.824 1.00 0.00 C ATOM 867 H VAL A 91 1.742 -6.163 7.975 1.00 0.00 H ATOM 868 N PHE A 92 3.814 -5.643 5.871 1.00 0.00 N ATOM 869 CA PHE A 92 5.064 -5.112 5.348 1.00 0.00 C ATOM 870 C PHE A 92 6.249 -6.024 5.735 1.00 0.00 C ATOM 871 O PHE A 92 6.916 -6.577 4.859 1.00 0.00 O ATOM 872 CB PHE A 92 5.249 -3.674 5.866 1.00 0.00 C ATOM 873 CG PHE A 92 5.648 -2.666 4.820 1.00 0.00 C ATOM 874 CD1 PHE A 92 4.858 -2.459 3.698 1.00 0.00 C ATOM 875 CD2 PHE A 92 6.797 -1.907 4.971 1.00 0.00 C ATOM 876 CE1 PHE A 92 5.207 -1.525 2.751 1.00 0.00 C ATOM 877 CE2 PHE A 92 7.148 -0.964 4.024 1.00 0.00 C ATOM 878 CZ PHE A 92 6.353 -0.774 2.914 1.00 0.00 C ATOM 879 H PHE A 92 3.493 -5.311 6.803 1.00 0.00 H ATOM 880 N ASP A 93 6.481 -6.198 7.058 1.00 0.00 N ATOM 881 CA ASP A 93 7.556 -7.030 7.591 1.00 0.00 C ATOM 882 C ASP A 93 7.340 -8.533 7.281 1.00 0.00 C ATOM 883 O ASP A 93 6.476 -9.191 7.869 1.00 0.00 O ATOM 884 CB ASP A 93 7.687 -6.752 9.108 1.00 0.00 C ATOM 885 CG ASP A 93 6.623 -7.389 9.999 1.00 0.00 C ATOM 886 OD1 ASP A 93 6.689 -8.614 10.226 1.00 0.00 O ATOM 887 OD2 ASP A 93 5.743 -6.655 10.487 1.00 0.00 O ATOM 888 H ASP A 93 5.858 -5.711 7.733 1.00 0.00 H ATOM 889 N LYS A 94 8.093 -9.047 6.300 1.00 0.00 N ATOM 890 CA LYS A 94 8.029 -10.459 5.913 1.00 0.00 C ATOM 891 C LYS A 94 8.521 -11.408 7.019 1.00 0.00 C ATOM 892 O LYS A 94 8.170 -12.591 7.024 1.00 0.00 O ATOM 893 CB LYS A 94 8.817 -10.681 4.634 1.00 0.00 C ATOM 894 CG LYS A 94 8.007 -10.312 3.407 1.00 0.00 C ATOM 895 CD LYS A 94 7.316 -11.527 2.801 1.00 0.00 C ATOM 896 CE LYS A 94 6.271 -11.122 1.775 1.00 0.00 C ATOM 897 NZ LYS A 94 5.558 -12.303 1.213 1.00 0.00 N ATOM 898 HZ1 LYS A 94 6.244 -12.932 0.749 1.00 0.00 H ATOM 899 HZ2 LYS A 94 5.080 -12.816 1.981 1.00 0.00 H ATOM 900 HZ3 LYS A 94 4.854 -11.983 0.517 1.00 0.00 H ATOM 901 H LYS A 94 8.749 -8.419 5.793 1.00 0.00 H ATOM 902 N ASP A 95 9.331 -10.875 7.947 1.00 0.00 N ATOM 903 CA ASP A 95 9.868 -11.661 9.062 1.00 0.00 C ATOM 904 C ASP A 95 9.240 -11.223 10.393 1.00 0.00 C ATOM 905 O ASP A 95 8.546 -12.013 11.040 1.00 0.00 O ATOM 906 CB ASP A 95 11.400 -11.546 9.119 1.00 0.00 C ATOM 907 CG ASP A 95 12.082 -12.256 7.964 1.00 0.00 C ATOM 908 OD1 ASP A 95 12.301 -11.611 6.917 1.00 0.00 O ATOM 909 OD2 ASP A 95 12.398 -13.456 8.107 1.00 0.00 O ATOM 910 H ASP A 95 9.587 -9.870 7.873 1.00 0.00 H ATOM 911 N GLY A 96 9.490 -9.962 10.792 1.00 0.00 N ATOM 912 CA GLY A 96 8.937 -9.423 12.034 1.00 0.00 C ATOM 913 C GLY A 96 9.738 -9.796 13.274 1.00 0.00 C ATOM 914 O GLY A 96 9.180 -10.346 14.229 1.00 0.00 O ATOM 915 H GLY A 96 10.093 -9.355 10.201 1.00 0.00 H ATOM 916 N ASN A 97 11.040 -9.496 13.254 1.00 0.00 N ATOM 917 CA ASN A 97 11.923 -9.790 14.373 1.00 0.00 C ATOM 918 C ASN A 97 12.622 -8.520 14.878 1.00 0.00 C ATOM 919 O ASN A 97 13.842 -8.503 15.096 1.00 0.00 O ATOM 920 CB ASN A 97 12.944 -10.870 13.978 1.00 0.00 C ATOM 921 CG ASN A 97 12.312 -12.240 13.813 1.00 0.00 C ATOM 922 OD1 ASN A 97 11.866 -12.604 12.725 1.00 0.00 O ATOM 923 ND2 ASN A 97 12.272 -13.007 14.897 1.00 0.00 N ATOM 924 HD22 ASN A 97 12.661 -12.658 15.796 1.00 0.00 H ATOM 925 HD21 ASN A 97 11.851 -13.957 14.847 1.00 0.00 H ATOM 926 H ASN A 97 11.436 -9.036 12.409 1.00 0.00 H ATOM 927 N GLY A 98 11.829 -7.454 15.074 1.00 0.00 N ATOM 928 CA GLY A 98 12.368 -6.173 15.534 1.00 0.00 C ATOM 929 C GLY A 98 12.914 -5.332 14.388 1.00 0.00 C ATOM 930 O GLY A 98 13.097 -4.123 14.528 1.00 0.00 O ATOM 931 H GLY A 98 10.808 -7.541 14.895 1.00 0.00 H ATOM 932 N TYR A 99 13.174 -6.004 13.264 1.00 0.00 N ATOM 933 CA TYR A 99 13.705 -5.388 12.043 1.00 0.00 C ATOM 934 C TYR A 99 12.930 -5.911 10.834 1.00 0.00 C ATOM 935 O TYR A 99 12.439 -7.045 10.848 1.00 0.00 O ATOM 936 CB TYR A 99 15.184 -5.766 11.855 1.00 0.00 C ATOM 937 CG TYR A 99 16.140 -5.257 12.921 1.00 0.00 C ATOM 938 CD1 TYR A 99 16.176 -5.827 14.191 1.00 0.00 C ATOM 939 CD2 TYR A 99 17.025 -4.221 12.645 1.00 0.00 C ATOM 940 CE1 TYR A 99 17.061 -5.376 15.151 1.00 0.00 C ATOM 941 CE2 TYR A 99 17.912 -3.764 13.603 1.00 0.00 C ATOM 942 CZ TYR A 99 17.925 -4.345 14.853 1.00 0.00 C ATOM 943 OH TYR A 99 18.808 -3.894 15.807 1.00 0.00 O ATOM 944 HH TYR A 99 18.686 -4.415 16.640 1.00 0.00 H ATOM 945 H TYR A 99 12.989 -7.027 13.253 1.00 0.00 H ATOM 946 N ILE A 100 12.827 -5.084 9.797 1.00 0.00 N ATOM 947 CA ILE A 100 12.155 -5.460 8.553 1.00 0.00 C ATOM 948 C ILE A 100 13.205 -5.784 7.548 1.00 0.00 C ATOM 949 O ILE A 100 14.142 -5.033 7.354 1.00 0.00 O ATOM 950 CB ILE A 100 11.172 -4.386 8.027 1.00 0.00 C ATOM 951 CG1 ILE A 100 10.046 -4.165 9.057 1.00 0.00 C ATOM 952 CG2 ILE A 100 10.594 -4.808 6.675 1.00 0.00 C ATOM 953 CD1 ILE A 100 9.088 -3.033 8.735 1.00 0.00 C ATOM 954 H ILE A 100 13.240 -4.133 9.874 1.00 0.00 H ATOM 955 N SER A 101 12.947 -6.852 6.834 1.00 0.00 N ATOM 956 CA SER A 101 13.881 -7.405 5.893 1.00 0.00 C ATOM 957 C SER A 101 14.029 -6.558 4.653 1.00 0.00 C ATOM 958 O SER A 101 13.119 -5.829 4.263 1.00 0.00 O ATOM 959 CB SER A 101 13.388 -8.791 5.588 1.00 0.00 C ATOM 960 OG SER A 101 12.663 -8.869 4.370 1.00 0.00 O ATOM 961 HG SER A 101 12.365 -9.802 4.224 1.00 0.00 H ATOM 962 H SER A 101 12.026 -7.320 6.954 1.00 0.00 H ATOM 963 N ALA A 102 15.214 -6.648 4.067 1.00 0.00 N ATOM 964 CA ALA A 102 15.548 -5.843 2.904 1.00 0.00 C ATOM 965 C ALA A 102 14.818 -6.267 1.643 1.00 0.00 C ATOM 966 O ALA A 102 14.184 -5.450 0.978 1.00 0.00 O ATOM 967 CB ALA A 102 17.056 -5.824 2.683 1.00 0.00 C ATOM 968 H ALA A 102 15.921 -7.309 4.448 1.00 0.00 H ATOM 969 N ALA A 103 14.899 -7.551 1.350 1.00 0.00 N ATOM 970 CA ALA A 103 14.268 -8.143 0.168 1.00 0.00 C ATOM 971 C ALA A 103 12.758 -8.308 0.307 1.00 0.00 C ATOM 972 O ALA A 103 12.134 -9.052 -0.462 1.00 0.00 O ATOM 973 CB ALA A 103 14.951 -9.468 -0.150 1.00 0.00 C ATOM 974 H ALA A 103 15.436 -8.172 1.988 1.00 0.00 H ATOM 975 N GLU A 104 12.163 -7.611 1.273 1.00 0.00 N ATOM 976 CA GLU A 104 10.732 -7.724 1.487 1.00 0.00 C ATOM 977 C GLU A 104 9.897 -6.940 0.506 1.00 0.00 C ATOM 978 O GLU A 104 8.975 -7.507 -0.075 1.00 0.00 O ATOM 979 CB GLU A 104 10.356 -7.424 2.948 1.00 0.00 C ATOM 980 CG GLU A 104 10.401 -5.943 3.348 1.00 0.00 C ATOM 981 CD GLU A 104 9.034 -5.271 3.348 1.00 0.00 C ATOM 982 OE1 GLU A 104 8.333 -5.322 2.315 1.00 0.00 O ATOM 983 OE2 GLU A 104 8.664 -4.684 4.385 1.00 0.00 O ATOM 984 H GLU A 104 12.728 -6.981 1.878 1.00 0.00 H ATOM 985 N LEU A 105 10.182 -5.650 0.317 1.00 0.00 N ATOM 986 CA LEU A 105 9.386 -4.889 -0.610 1.00 0.00 C ATOM 987 C LEU A 105 9.540 -5.384 -2.030 1.00 0.00 C ATOM 988 O LEU A 105 8.601 -5.282 -2.802 1.00 0.00 O ATOM 989 CB LEU A 105 9.526 -3.395 -0.456 1.00 0.00 C ATOM 990 CG LEU A 105 8.600 -2.837 0.635 1.00 0.00 C ATOM 991 CD1 LEU A 105 9.180 -1.557 1.156 1.00 0.00 C ATOM 992 CD2 LEU A 105 7.130 -2.631 0.163 1.00 0.00 C ATOM 993 H LEU A 105 10.967 -5.202 0.831 1.00 0.00 H ATOM 994 N ARG A 106 10.708 -5.941 -2.404 1.00 0.00 N ATOM 995 CA ARG A 106 10.805 -6.499 -3.748 1.00 0.00 C ATOM 996 C ARG A 106 9.845 -7.697 -3.825 1.00 0.00 C ATOM 997 O ARG A 106 9.384 -8.056 -4.904 1.00 0.00 O ATOM 998 CB ARG A 106 12.255 -6.829 -4.183 1.00 0.00 C ATOM 999 CG ARG A 106 12.595 -8.310 -4.277 1.00 0.00 C ATOM 1000 CD ARG A 106 13.485 -8.710 -3.134 1.00 0.00 C ATOM 1001 NE ARG A 106 13.290 -10.113 -2.753 1.00 0.00 N ATOM 1002 CZ ARG A 106 14.143 -11.109 -3.038 1.00 0.00 C ATOM 1003 NH1 ARG A 106 15.269 -10.881 -3.713 1.00 0.00 N ATOM 1004 NH2 ARG A 106 13.864 -12.343 -2.643 1.00 0.00 N ATOM 1005 HE ARG A 106 12.428 -10.353 -2.223 1.00 0.00 H ATOM 1006 HH12 ARG A 106 15.917 -11.667 -3.924 1.00 0.00 H ATOM 1007 HH11 ARG A 106 15.500 -9.917 -4.029 1.00 0.00 H ATOM 1008 HH22 ARG A 106 14.521 -13.120 -2.860 1.00 0.00 H ATOM 1009 HH21 ARG A 106 12.988 -12.535 -2.116 1.00 0.00 H ATOM 1010 H ARG A 106 11.518 -5.972 -1.753 1.00 0.00 H ATOM 1011 N HIS A 107 9.597 -8.336 -2.657 1.00 0.00 N ATOM 1012 CA HIS A 107 8.630 -9.428 -2.559 1.00 0.00 C ATOM 1013 C HIS A 107 7.181 -8.878 -2.542 1.00 0.00 C ATOM 1014 O HIS A 107 6.335 -9.293 -3.338 1.00 0.00 O ATOM 1015 CB HIS A 107 8.920 -10.249 -1.314 1.00 0.00 C ATOM 1016 CG HIS A 107 8.476 -11.678 -1.405 1.00 0.00 C ATOM 1017 ND1 HIS A 107 7.176 -12.079 -1.183 1.00 0.00 N ATOM 1018 CD2 HIS A 107 9.170 -12.804 -1.700 1.00 0.00 C ATOM 1019 CE1 HIS A 107 7.089 -13.389 -1.335 1.00 0.00 C ATOM 1020 NE2 HIS A 107 8.284 -13.852 -1.649 1.00 0.00 N ATOM 1021 H HIS A 107 10.111 -8.040 -1.802 1.00 0.00 H ATOM 1022 N VAL A 108 6.931 -7.937 -1.605 1.00 0.00 N ATOM 1023 CA VAL A 108 5.615 -7.291 -1.394 1.00 0.00 C ATOM 1024 C VAL A 108 5.276 -6.245 -2.482 1.00 0.00 C ATOM 1025 O VAL A 108 4.216 -6.328 -3.103 1.00 0.00 O ATOM 1026 CB VAL A 108 5.533 -6.615 0.015 1.00 0.00 C ATOM 1027 CG1 VAL A 108 4.095 -6.263 0.388 1.00 0.00 C ATOM 1028 CG2 VAL A 108 6.138 -7.504 1.099 1.00 0.00 C ATOM 1029 H VAL A 108 7.717 -7.646 -0.989 1.00 0.00 H ATOM 1030 N MET A 109 6.168 -5.252 -2.688 1.00 0.00 N ATOM 1031 CA MET A 109 5.966 -4.188 -3.698 1.00 0.00 C ATOM 1032 C MET A 109 5.771 -4.771 -5.099 1.00 0.00 C ATOM 1033 O MET A 109 5.077 -4.184 -5.932 1.00 0.00 O ATOM 1034 CB MET A 109 7.134 -3.200 -3.706 1.00 0.00 C ATOM 1035 CG MET A 109 6.723 -1.750 -3.476 1.00 0.00 C ATOM 1036 SD MET A 109 8.101 -0.696 -2.971 1.00 0.00 S ATOM 1037 CE MET A 109 8.963 -0.466 -4.526 1.00 0.00 C ATOM 1038 H MET A 109 7.034 -5.234 -2.113 1.00 0.00 H ATOM 1039 N THR A 110 6.398 -5.931 -5.348 1.00 0.00 N ATOM 1040 CA THR A 110 6.271 -6.635 -6.620 1.00 0.00 C ATOM 1041 C THR A 110 4.850 -7.178 -6.728 1.00 0.00 C ATOM 1042 O THR A 110 4.237 -7.206 -7.800 1.00 0.00 O ATOM 1043 CB THR A 110 7.345 -7.763 -6.708 1.00 0.00 C ATOM 1044 OG1 THR A 110 7.921 -7.795 -8.016 1.00 0.00 O ATOM 1045 CG2 THR A 110 6.810 -9.150 -6.361 1.00 0.00 C ATOM 1046 HG1 THR A 110 8.600 -8.514 -8.059 1.00 0.00 H ATOM 1047 H THR A 110 6.998 -6.344 -4.606 1.00 0.00 H ATOM 1048 N ASN A 111 4.370 -7.604 -5.564 1.00 0.00 N ATOM 1049 CA ASN A 111 3.025 -8.114 -5.373 1.00 0.00 C ATOM 1050 C ASN A 111 2.014 -6.961 -5.418 1.00 0.00 C ATOM 1051 O ASN A 111 0.824 -7.174 -5.651 1.00 0.00 O ATOM 1052 CB ASN A 111 2.957 -8.863 -4.036 1.00 0.00 C ATOM 1053 CG ASN A 111 1.638 -9.562 -3.813 1.00 0.00 C ATOM 1054 OD1 ASN A 111 1.474 -10.728 -4.166 1.00 0.00 O ATOM 1055 ND2 ASN A 111 0.688 -8.837 -3.232 1.00 0.00 N ATOM 1056 HD22 ASN A 111 0.881 -7.854 -2.953 1.00 0.00 H ATOM 1057 HD21 ASN A 111 -0.249 -9.253 -3.056 1.00 0.00 H ATOM 1058 H ASN A 111 4.999 -7.570 -4.737 1.00 0.00 H ATOM 1059 N LEU A 112 2.518 -5.742 -5.197 1.00 0.00 N ATOM 1060 CA LEU A 112 1.685 -4.548 -5.201 1.00 0.00 C ATOM 1061 C LEU A 112 1.671 -3.918 -6.623 1.00 0.00 C ATOM 1062 O LEU A 112 1.072 -2.865 -6.843 1.00 0.00 O ATOM 1063 CB LEU A 112 2.101 -3.629 -3.984 1.00 0.00 C ATOM 1064 CG LEU A 112 2.327 -2.102 -4.139 1.00 0.00 C ATOM 1065 CD1 LEU A 112 3.442 -1.811 -5.122 1.00 0.00 C ATOM 1066 CD2 LEU A 112 1.045 -1.362 -4.508 1.00 0.00 C ATOM 1067 H LEU A 112 3.538 -5.644 -5.017 1.00 0.00 H ATOM 1068 N GLY A 113 2.318 -4.614 -7.591 1.00 0.00 N ATOM 1069 CA GLY A 113 2.286 -4.186 -8.993 1.00 0.00 C ATOM 1070 C GLY A 113 3.510 -3.458 -9.529 1.00 0.00 C ATOM 1071 O GLY A 113 3.447 -2.907 -10.632 1.00 0.00 O ATOM 1072 H GLY A 113 2.849 -5.470 -7.333 1.00 0.00 H ATOM 1073 N GLU A 114 4.611 -3.438 -8.781 1.00 0.00 N ATOM 1074 CA GLU A 114 5.848 -2.834 -9.282 1.00 0.00 C ATOM 1075 C GLU A 114 6.998 -3.835 -9.123 1.00 0.00 C ATOM 1076 O GLU A 114 7.661 -3.900 -8.082 1.00 0.00 O ATOM 1077 CB GLU A 114 6.141 -1.450 -8.659 1.00 0.00 C ATOM 1078 CG GLU A 114 6.218 -1.409 -7.141 1.00 0.00 C ATOM 1079 CD GLU A 114 6.294 0.009 -6.604 1.00 0.00 C ATOM 1080 OE1 GLU A 114 7.326 0.676 -6.828 1.00 0.00 O ATOM 1081 OE2 GLU A 114 5.320 0.453 -5.960 1.00 0.00 O ATOM 1082 H GLU A 114 4.593 -3.856 -7.829 1.00 0.00 H ATOM 1083 N LYS A 115 7.200 -4.631 -10.186 1.00 0.00 N ATOM 1084 CA LYS A 115 8.218 -5.691 -10.221 1.00 0.00 C ATOM 1085 C LYS A 115 9.653 -5.153 -10.206 1.00 0.00 C ATOM 1086 O LYS A 115 10.157 -4.643 -11.214 1.00 0.00 O ATOM 1087 CB LYS A 115 8.005 -6.582 -11.456 1.00 0.00 C ATOM 1088 CG LYS A 115 6.821 -7.536 -11.338 1.00 0.00 C ATOM 1089 CD LYS A 115 7.255 -8.911 -10.852 1.00 0.00 C ATOM 1090 CE LYS A 115 6.064 -9.836 -10.662 1.00 0.00 C ATOM 1091 NZ LYS A 115 6.479 -11.185 -10.186 1.00 0.00 N ATOM 1092 HZ1 LYS A 115 7.119 -11.616 -10.884 1.00 0.00 H ATOM 1093 HZ2 LYS A 115 6.970 -11.094 -9.274 1.00 0.00 H ATOM 1094 HZ3 LYS A 115 5.637 -11.784 -10.069 1.00 0.00 H ATOM 1095 H LYS A 115 6.606 -4.490 -11.028 1.00 0.00 H ATOM 1096 N LEU A 116 10.287 -5.258 -9.032 1.00 0.00 N ATOM 1097 CA LEU A 116 11.678 -4.832 -8.851 1.00 0.00 C ATOM 1098 C LEU A 116 12.430 -5.742 -7.890 1.00 0.00 C ATOM 1099 O LEU A 116 11.835 -6.563 -7.187 1.00 0.00 O ATOM 1100 CB LEU A 116 11.805 -3.365 -8.371 1.00 0.00 C ATOM 1101 CG LEU A 116 10.619 -2.834 -7.549 1.00 0.00 C ATOM 1102 CD1 LEU A 116 10.632 -3.458 -6.172 1.00 0.00 C ATOM 1103 CD2 LEU A 116 10.640 -1.314 -7.456 1.00 0.00 C ATOM 1104 H LEU A 116 9.775 -5.656 -8.219 1.00 0.00 H ATOM 1105 N THR A 117 13.752 -5.575 -7.890 1.00 0.00 N ATOM 1106 CA THR A 117 14.654 -6.326 -7.032 1.00 0.00 C ATOM 1107 C THR A 117 14.967 -5.492 -5.767 1.00 0.00 C ATOM 1108 O THR A 117 14.562 -4.328 -5.675 1.00 0.00 O ATOM 1109 CB THR A 117 15.940 -6.685 -7.835 1.00 0.00 C ATOM 1110 OG1 THR A 117 15.574 -7.305 -9.074 1.00 0.00 O ATOM 1111 CG2 THR A 117 16.873 -7.624 -7.078 1.00 0.00 C ATOM 1112 HG1 THR A 117 16.393 -7.532 -9.582 1.00 0.00 H ATOM 1113 H THR A 117 14.160 -4.871 -8.538 1.00 0.00 H ATOM 1114 N ASP A 118 15.681 -6.098 -4.800 1.00 0.00 N ATOM 1115 CA ASP A 118 16.059 -5.449 -3.523 1.00 0.00 C ATOM 1116 C ASP A 118 16.729 -4.079 -3.720 1.00 0.00 C ATOM 1117 O ASP A 118 16.649 -3.215 -2.854 1.00 0.00 O ATOM 1118 CB ASP A 118 17.015 -6.377 -2.767 1.00 0.00 C ATOM 1119 CG ASP A 118 17.195 -6.015 -1.298 1.00 0.00 C ATOM 1120 OD1 ASP A 118 17.635 -4.881 -1.012 1.00 0.00 O ATOM 1121 OD2 ASP A 118 16.902 -6.869 -0.438 1.00 0.00 O ATOM 1122 H ASP A 118 15.985 -7.080 -4.959 1.00 0.00 H ATOM 1123 N GLU A 119 17.408 -3.924 -4.851 1.00 0.00 N ATOM 1124 CA GLU A 119 18.107 -2.678 -5.232 1.00 0.00 C ATOM 1125 C GLU A 119 17.211 -1.443 -5.187 1.00 0.00 C ATOM 1126 O GLU A 119 17.559 -0.425 -4.581 1.00 0.00 O ATOM 1127 CB GLU A 119 18.672 -2.833 -6.650 1.00 0.00 C ATOM 1128 CG GLU A 119 17.715 -3.566 -7.594 1.00 0.00 C ATOM 1129 CD GLU A 119 18.068 -3.386 -9.057 1.00 0.00 C ATOM 1130 OE1 GLU A 119 17.568 -2.422 -9.674 1.00 0.00 O ATOM 1131 OE2 GLU A 119 18.846 -4.208 -9.585 1.00 0.00 O ATOM 1132 H GLU A 119 17.451 -4.728 -5.509 1.00 0.00 H ATOM 1133 N GLU A 120 16.062 -1.563 -5.838 1.00 0.00 N ATOM 1134 CA GLU A 120 15.075 -0.487 -5.915 1.00 0.00 C ATOM 1135 C GLU A 120 14.416 -0.297 -4.558 1.00 0.00 C ATOM 1136 O GLU A 120 14.081 0.825 -4.176 1.00 0.00 O ATOM 1137 CB GLU A 120 14.017 -0.793 -6.979 1.00 0.00 C ATOM 1138 CG GLU A 120 14.576 -1.037 -8.382 1.00 0.00 C ATOM 1139 CD GLU A 120 14.936 0.247 -9.111 1.00 0.00 C ATOM 1140 OE1 GLU A 120 14.060 0.799 -9.809 1.00 0.00 O ATOM 1141 OE2 GLU A 120 16.094 0.697 -8.983 1.00 0.00 O ATOM 1142 H GLU A 120 15.853 -2.463 -6.315 1.00 0.00 H ATOM 1143 N VAL A 121 14.255 -1.418 -3.832 1.00 0.00 N ATOM 1144 CA VAL A 121 13.679 -1.406 -2.488 1.00 0.00 C ATOM 1145 C VAL A 121 14.698 -0.866 -1.484 1.00 0.00 C ATOM 1146 O VAL A 121 14.329 -0.354 -0.438 1.00 0.00 O ATOM 1147 CB VAL A 121 13.081 -2.766 -2.009 1.00 0.00 C ATOM 1148 CG1 VAL A 121 12.388 -3.490 -3.145 1.00 0.00 C ATOM 1149 CG2 VAL A 121 14.093 -3.673 -1.327 1.00 0.00 C ATOM 1150 H VAL A 121 14.551 -2.327 -4.242 1.00 0.00 H ATOM 1151 N ASP A 122 15.992 -1.073 -1.789 1.00 0.00 N ATOM 1152 CA ASP A 122 17.090 -0.615 -0.944 1.00 0.00 C ATOM 1153 C ASP A 122 17.027 0.888 -0.694 1.00 0.00 C ATOM 1154 O ASP A 122 17.341 1.344 0.405 1.00 0.00 O ATOM 1155 CB ASP A 122 18.400 -1.057 -1.562 1.00 0.00 C ATOM 1156 CG ASP A 122 19.557 -1.076 -0.575 1.00 0.00 C ATOM 1157 OD1 ASP A 122 19.775 -2.127 0.064 1.00 0.00 O ATOM 1158 OD2 ASP A 122 20.242 -0.040 -0.444 1.00 0.00 O ATOM 1159 H ASP A 122 16.220 -1.582 -2.667 1.00 0.00 H ATOM 1160 N GLU A 123 16.628 1.646 -1.718 1.00 0.00 N ATOM 1161 CA GLU A 123 16.416 3.087 -1.573 1.00 0.00 C ATOM 1162 C GLU A 123 15.132 3.279 -0.780 1.00 0.00 C ATOM 1163 O GLU A 123 14.969 4.262 -0.057 1.00 0.00 O ATOM 1164 CB GLU A 123 16.325 3.782 -2.936 1.00 0.00 C ATOM 1165 CG GLU A 123 17.654 3.871 -3.672 1.00 0.00 C ATOM 1166 CD GLU A 123 17.531 4.561 -5.016 1.00 0.00 C ATOM 1167 OE1 GLU A 123 17.681 5.800 -5.064 1.00 0.00 O ATOM 1168 OE2 GLU A 123 17.284 3.863 -6.022 1.00 0.00 O ATOM 1169 H GLU A 123 16.463 1.201 -2.643 1.00 0.00 H ATOM 1170 N MET A 124 14.227 2.295 -0.939 1.00 0.00 N ATOM 1171 CA MET A 124 12.953 2.259 -0.239 1.00 0.00 C ATOM 1172 C MET A 124 13.151 1.884 1.241 1.00 0.00 C ATOM 1173 O MET A 124 12.385 2.338 2.097 1.00 0.00 O ATOM 1174 CB MET A 124 11.969 1.290 -0.909 1.00 0.00 C ATOM 1175 CG MET A 124 11.808 1.500 -2.415 1.00 0.00 C ATOM 1176 SD MET A 124 11.330 3.182 -2.860 1.00 0.00 S ATOM 1177 CE MET A 124 11.401 3.096 -4.648 1.00 0.00 C ATOM 1178 H MET A 124 14.451 1.521 -1.596 1.00 0.00 H ATOM 1179 N ILE A 125 14.184 1.052 1.539 1.00 0.00 N ATOM 1180 CA ILE A 125 14.479 0.660 2.926 1.00 0.00 C ATOM 1181 C ILE A 125 15.447 1.648 3.579 1.00 0.00 C ATOM 1182 O ILE A 125 15.428 1.836 4.799 1.00 0.00 O ATOM 1183 CB ILE A 125 14.979 -0.811 3.090 1.00 0.00 C ATOM 1184 CG1 ILE A 125 16.128 -1.171 2.120 1.00 0.00 C ATOM 1185 CG2 ILE A 125 13.803 -1.771 2.917 1.00 0.00 C ATOM 1186 CD1 ILE A 125 16.984 -2.331 2.575 1.00 0.00 C ATOM 1187 H ILE A 125 14.779 0.684 0.769 1.00 0.00 H ATOM 1188 N ARG A 126 16.291 2.271 2.744 1.00 0.00 N ATOM 1189 CA ARG A 126 17.267 3.279 3.194 1.00 0.00 C ATOM 1190 C ARG A 126 16.546 4.478 3.814 1.00 0.00 C ATOM 1191 O ARG A 126 17.043 5.097 4.759 1.00 0.00 O ATOM 1192 CB ARG A 126 18.143 3.740 2.022 1.00 0.00 C ATOM 1193 CG ARG A 126 19.552 4.154 2.428 1.00 0.00 C ATOM 1194 CD ARG A 126 20.370 4.599 1.226 1.00 0.00 C ATOM 1195 NE ARG A 126 21.728 5.003 1.605 1.00 0.00 N ATOM 1196 CZ ARG A 126 22.664 5.435 0.746 1.00 0.00 C ATOM 1197 NH1 ARG A 126 22.411 5.530 -0.558 1.00 0.00 N ATOM 1198 NH2 ARG A 126 23.862 5.775 1.201 1.00 0.00 N ATOM 1199 HE ARG A 126 21.984 4.951 2.612 1.00 0.00 H ATOM 1200 HH12 ARG A 126 23.150 5.867 -1.208 1.00 0.00 H ATOM 1201 HH11 ARG A 126 21.475 5.267 -0.927 1.00 0.00 H ATOM 1202 HH22 ARG A 126 24.593 6.111 0.541 1.00 0.00 H ATOM 1203 HH21 ARG A 126 24.071 5.706 2.217 1.00 0.00 H ATOM 1204 H ARG A 126 16.255 2.032 1.733 1.00 0.00 H ATOM 1205 N GLU A 127 15.368 4.788 3.258 1.00 0.00 N ATOM 1206 CA GLU A 127 14.512 5.887 3.750 1.00 0.00 C ATOM 1207 C GLU A 127 14.053 5.647 5.194 1.00 0.00 C ATOM 1208 O GLU A 127 13.808 6.598 5.942 1.00 0.00 O ATOM 1209 CB GLU A 127 13.307 6.065 2.828 1.00 0.00 C ATOM 1210 CG GLU A 127 13.701 6.504 1.429 1.00 0.00 C ATOM 1211 CD GLU A 127 12.577 6.352 0.426 1.00 0.00 C ATOM 1212 OE1 GLU A 127 11.725 7.261 0.345 1.00 0.00 O ATOM 1213 OE2 GLU A 127 12.549 5.321 -0.278 1.00 0.00 O ATOM 1214 H GLU A 127 15.041 4.230 2.443 1.00 0.00 H ATOM 1215 N ALA A 128 13.944 4.367 5.564 1.00 0.00 N ATOM 1216 CA ALA A 128 13.560 3.957 6.905 1.00 0.00 C ATOM 1217 C ALA A 128 14.778 3.790 7.802 1.00 0.00 C ATOM 1218 O ALA A 128 14.669 3.859 9.017 1.00 0.00 O ATOM 1219 CB ALA A 128 12.789 2.659 6.830 1.00 0.00 C ATOM 1220 H ALA A 128 14.143 3.629 4.859 1.00 0.00 H ATOM 1221 N ASP A 129 15.939 3.600 7.190 1.00 0.00 N ATOM 1222 CA ASP A 129 17.163 3.410 7.914 1.00 0.00 C ATOM 1223 C ASP A 129 18.105 4.608 7.789 1.00 0.00 C ATOM 1224 O ASP A 129 18.723 4.827 6.741 1.00 0.00 O ATOM 1225 CB ASP A 129 17.799 2.139 7.424 1.00 0.00 C ATOM 1226 CG ASP A 129 18.592 1.422 8.502 1.00 0.00 C ATOM 1227 OD1 ASP A 129 19.577 2.006 9.003 1.00 0.00 O ATOM 1228 OD2 ASP A 129 18.230 0.279 8.846 1.00 0.00 O ATOM 1229 H ASP A 129 15.963 3.588 6.150 1.00 0.00 H ATOM 1230 N ILE A 130 18.193 5.388 8.873 1.00 0.00 N ATOM 1231 CA ILE A 130 19.075 6.568 8.930 1.00 0.00 C ATOM 1232 C ILE A 130 20.543 6.160 9.107 1.00 0.00 C ATOM 1233 O ILE A 130 21.459 6.921 8.781 1.00 0.00 O ATOM 1234 CB ILE A 130 18.665 7.582 10.043 1.00 0.00 C ATOM 1235 CG1 ILE A 130 18.411 6.897 11.398 1.00 0.00 C ATOM 1236 CG2 ILE A 130 17.433 8.366 9.613 1.00 0.00 C ATOM 1237 CD1 ILE A 130 19.620 6.879 12.310 1.00 0.00 C ATOM 1238 H ILE A 130 17.617 5.153 9.707 1.00 0.00 H ATOM 1239 N ASP A 131 20.732 4.948 9.630 1.00 0.00 N ATOM 1240 CA ASP A 131 22.058 4.383 9.876 1.00 0.00 C ATOM 1241 C ASP A 131 22.507 3.477 8.712 1.00 0.00 C ATOM 1242 O ASP A 131 23.616 2.930 8.739 1.00 0.00 O ATOM 1243 CB ASP A 131 22.024 3.594 11.194 1.00 0.00 C ATOM 1244 CG ASP A 131 23.407 3.251 11.728 1.00 0.00 C ATOM 1245 OD1 ASP A 131 23.963 4.061 12.499 1.00 0.00 O ATOM 1246 OD2 ASP A 131 23.929 2.174 11.373 1.00 0.00 O ATOM 1247 H ASP A 131 19.897 4.378 9.874 1.00 0.00 H ATOM 1248 N GLY A 132 21.642 3.334 7.689 1.00 0.00 N ATOM 1249 CA GLY A 132 21.948 2.509 6.515 1.00 0.00 C ATOM 1250 C GLY A 132 22.242 1.048 6.839 1.00 0.00 C ATOM 1251 O GLY A 132 23.250 0.503 6.379 1.00 0.00 O ATOM 1252 H GLY A 132 20.726 3.825 7.733 1.00 0.00 H ATOM 1253 N ASP A 133 21.362 0.421 7.631 1.00 0.00 N ATOM 1254 CA ASP A 133 21.530 -0.985 8.023 1.00 0.00 C ATOM 1255 C ASP A 133 20.832 -1.947 7.049 1.00 0.00 C ATOM 1256 O ASP A 133 21.004 -3.167 7.152 1.00 0.00 O ATOM 1257 CB ASP A 133 20.995 -1.205 9.443 1.00 0.00 C ATOM 1258 CG ASP A 133 21.875 -0.571 10.503 1.00 0.00 C ATOM 1259 OD1 ASP A 133 22.862 -1.214 10.918 1.00 0.00 O ATOM 1260 OD2 ASP A 133 21.576 0.568 10.919 1.00 0.00 O ATOM 1261 H ASP A 133 20.534 0.946 7.979 1.00 0.00 H ATOM 1262 N GLY A 134 20.053 -1.394 6.102 1.00 0.00 N ATOM 1263 CA GLY A 134 19.364 -2.213 5.104 1.00 0.00 C ATOM 1264 C GLY A 134 18.144 -2.972 5.627 1.00 0.00 C ATOM 1265 O GLY A 134 17.689 -3.915 4.975 1.00 0.00 O ATOM 1266 H GLY A 134 19.938 -0.361 6.079 1.00 0.00 H ATOM 1267 N GLN A 135 17.630 -2.595 6.807 1.00 0.00 N ATOM 1268 CA GLN A 135 16.456 -3.268 7.389 1.00 0.00 C ATOM 1269 C GLN A 135 15.616 -2.302 8.223 1.00 0.00 C ATOM 1270 O GLN A 135 16.148 -1.279 8.666 1.00 0.00 O ATOM 1271 CB GLN A 135 16.911 -4.467 8.211 1.00 0.00 C ATOM 1272 CG GLN A 135 16.602 -5.776 7.521 1.00 0.00 C ATOM 1273 CD GLN A 135 17.566 -6.887 7.889 1.00 0.00 C ATOM 1274 OE1 GLN A 135 18.594 -7.073 7.237 1.00 0.00 O ATOM 1275 NE2 GLN A 135 17.238 -7.633 8.937 1.00 0.00 N ATOM 1276 HE22 GLN A 135 16.359 -7.440 9.458 1.00 0.00 H ATOM 1277 HE21 GLN A 135 17.860 -8.411 9.237 1.00 0.00 H ATOM 1278 H GLN A 135 18.071 -1.808 7.324 1.00 0.00 H ATOM 1279 N VAL A 136 14.304 -2.595 8.463 1.00 0.00 N ATOM 1280 CA VAL A 136 13.495 -1.614 9.185 1.00 0.00 C ATOM 1281 C VAL A 136 12.908 -2.093 10.528 1.00 0.00 C ATOM 1282 O VAL A 136 12.088 -2.999 10.577 1.00 0.00 O ATOM 1283 CB VAL A 136 12.366 -1.053 8.274 1.00 0.00 C ATOM 1284 CG1 VAL A 136 11.745 0.219 8.831 1.00 0.00 C ATOM 1285 CG2 VAL A 136 12.872 -0.792 6.861 1.00 0.00 C ATOM 1286 H VAL A 136 13.891 -3.493 8.140 1.00 0.00 H ATOM 1287 N ASN A 137 13.318 -1.424 11.609 1.00 0.00 N ATOM 1288 CA ASN A 137 12.808 -1.685 12.963 1.00 0.00 C ATOM 1289 C ASN A 137 11.423 -1.039 13.152 1.00 0.00 C ATOM 1290 O ASN A 137 10.942 -0.320 12.270 1.00 0.00 O ATOM 1291 CB ASN A 137 13.783 -1.123 14.012 1.00 0.00 C ATOM 1292 CG ASN A 137 15.133 -1.814 14.003 1.00 0.00 C ATOM 1293 OD1 ASN A 137 15.347 -2.791 14.719 1.00 0.00 O ATOM 1294 ND2 ASN A 137 16.051 -1.301 13.192 1.00 0.00 N ATOM 1295 HD22 ASN A 137 15.822 -0.473 12.605 1.00 0.00 H ATOM 1296 HD21 ASN A 137 16.999 -1.727 13.144 1.00 0.00 H ATOM 1297 H ASN A 137 14.035 -0.680 11.487 1.00 0.00 H ATOM 1298 N TYR A 138 10.794 -1.304 14.308 1.00 0.00 N ATOM 1299 CA TYR A 138 9.459 -0.773 14.641 1.00 0.00 C ATOM 1300 C TYR A 138 9.414 0.764 14.677 1.00 0.00 C ATOM 1301 O TYR A 138 8.440 1.364 14.233 1.00 0.00 O ATOM 1302 CB TYR A 138 9.020 -1.311 16.013 1.00 0.00 C ATOM 1303 CG TYR A 138 8.453 -2.720 16.006 1.00 0.00 C ATOM 1304 CD1 TYR A 138 9.252 -3.825 15.718 1.00 0.00 C ATOM 1305 CD2 TYR A 138 7.114 -2.945 16.310 1.00 0.00 C ATOM 1306 CE1 TYR A 138 8.731 -5.105 15.731 1.00 0.00 C ATOM 1307 CE2 TYR A 138 6.589 -4.223 16.323 1.00 0.00 C ATOM 1308 CZ TYR A 138 7.401 -5.299 16.033 1.00 0.00 C ATOM 1309 OH TYR A 138 6.880 -6.572 16.047 1.00 0.00 O ATOM 1310 HH TYR A 138 7.592 -7.221 15.819 1.00 0.00 H ATOM 1311 H TYR A 138 11.271 -1.913 15.003 1.00 0.00 H ATOM 1312 N GLU A 139 10.490 1.372 15.192 1.00 0.00 N ATOM 1313 CA GLU A 139 10.611 2.828 15.362 1.00 0.00 C ATOM 1314 C GLU A 139 10.760 3.631 14.089 1.00 0.00 C ATOM 1315 O GLU A 139 10.311 4.778 14.049 1.00 0.00 O ATOM 1316 CB GLU A 139 11.761 3.161 16.322 1.00 0.00 C ATOM 1317 CG GLU A 139 11.473 2.830 17.785 1.00 0.00 C ATOM 1318 CD GLU A 139 10.613 3.876 18.473 1.00 0.00 C ATOM 1319 OE1 GLU A 139 11.181 4.830 19.043 1.00 0.00 O ATOM 1320 OE2 GLU A 139 9.372 3.738 18.440 1.00 0.00 O ATOM 1321 H GLU A 139 11.290 0.778 15.490 1.00 0.00 H ATOM 1322 N GLU A 140 11.416 3.111 13.071 1.00 0.00 N ATOM 1323 CA GLU A 140 11.581 3.913 11.879 1.00 0.00 C ATOM 1324 C GLU A 140 10.311 3.954 11.000 1.00 0.00 C ATOM 1325 O GLU A 140 9.866 5.030 10.595 1.00 0.00 O ATOM 1326 CB GLU A 140 12.812 3.465 11.092 1.00 0.00 C ATOM 1327 CG GLU A 140 14.132 3.650 11.846 1.00 0.00 C ATOM 1328 CD GLU A 140 14.446 2.498 12.783 1.00 0.00 C ATOM 1329 OE1 GLU A 140 15.104 1.533 12.338 1.00 0.00 O ATOM 1330 OE2 GLU A 140 14.035 2.561 13.961 1.00 0.00 O ATOM 1331 H GLU A 140 11.805 2.148 13.124 1.00 0.00 H ATOM 1332 N PHE A 141 9.755 2.774 10.709 1.00 0.00 N ATOM 1333 CA PHE A 141 8.486 2.622 9.957 1.00 0.00 C ATOM 1334 C PHE A 141 7.291 3.209 10.739 1.00 0.00 C ATOM 1335 O PHE A 141 6.276 3.556 10.142 1.00 0.00 O ATOM 1336 CB PHE A 141 8.281 1.137 9.570 1.00 0.00 C ATOM 1337 CG PHE A 141 6.914 0.768 9.043 1.00 0.00 C ATOM 1338 CD1 PHE A 141 5.833 0.610 9.900 1.00 0.00 C ATOM 1339 CD2 PHE A 141 6.716 0.580 7.685 1.00 0.00 C ATOM 1340 CE1 PHE A 141 4.591 0.282 9.407 1.00 0.00 C ATOM 1341 CE2 PHE A 141 5.477 0.252 7.193 1.00 0.00 C ATOM 1342 CZ PHE A 141 4.418 0.107 8.054 1.00 0.00 C ATOM 1343 H PHE A 141 10.241 1.912 11.029 1.00 0.00 H ATOM 1344 N VAL A 142 7.432 3.331 12.067 1.00 0.00 N ATOM 1345 CA VAL A 142 6.379 3.848 12.941 1.00 0.00 C ATOM 1346 C VAL A 142 6.149 5.325 12.620 1.00 0.00 C ATOM 1347 O VAL A 142 5.029 5.826 12.498 1.00 0.00 O ATOM 1348 CB VAL A 142 6.826 3.640 14.419 1.00 0.00 C ATOM 1349 CG1 VAL A 142 7.744 4.732 14.948 1.00 0.00 C ATOM 1350 CG2 VAL A 142 5.655 3.510 15.308 1.00 0.00 C ATOM 1351 H VAL A 142 8.334 3.044 12.497 1.00 0.00 H ATOM 1352 N GLN A 143 7.294 5.958 12.499 1.00 0.00 N ATOM 1353 CA GLN A 143 7.481 7.354 12.148 1.00 0.00 C ATOM 1354 C GLN A 143 6.796 7.708 10.821 1.00 0.00 C ATOM 1355 O GLN A 143 6.358 8.840 10.603 1.00 0.00 O ATOM 1356 CB GLN A 143 8.986 7.554 12.031 1.00 0.00 C ATOM 1357 CG GLN A 143 9.480 8.933 12.446 1.00 0.00 C ATOM 1358 CD GLN A 143 9.596 9.097 13.952 1.00 0.00 C ATOM 1359 OE1 GLN A 143 8.647 9.512 14.618 1.00 0.00 O ATOM 1360 NE2 GLN A 143 10.763 8.771 14.495 1.00 0.00 N ATOM 1361 HE22 GLN A 143 11.538 8.424 13.894 1.00 0.00 H ATOM 1362 HE21 GLN A 143 10.902 8.862 15.522 1.00 0.00 H ATOM 1363 H GLN A 143 8.155 5.401 12.673 1.00 0.00 H ATOM 1364 N MET A 144 6.745 6.707 9.948 1.00 0.00 N ATOM 1365 CA MET A 144 6.148 6.798 8.629 1.00 0.00 C ATOM 1366 C MET A 144 4.612 6.926 8.675 1.00 0.00 C ATOM 1367 O MET A 144 4.015 7.447 7.735 1.00 0.00 O ATOM 1368 CB MET A 144 6.604 5.566 7.840 1.00 0.00 C ATOM 1369 CG MET A 144 5.607 5.058 6.813 1.00 0.00 C ATOM 1370 SD MET A 144 5.153 3.338 7.095 1.00 0.00 S ATOM 1371 CE MET A 144 3.959 3.491 8.424 1.00 0.00 C ATOM 1372 H MET A 144 7.161 5.797 10.230 1.00 0.00 H ATOM 1373 N MET A 145 3.982 6.423 9.742 1.00 0.00 N ATOM 1374 CA MET A 145 2.511 6.514 9.875 1.00 0.00 C ATOM 1375 C MET A 145 2.117 7.804 10.581 1.00 0.00 C ATOM 1376 O MET A 145 1.084 8.395 10.248 1.00 0.00 O ATOM 1377 CB MET A 145 1.940 5.285 10.603 1.00 0.00 C ATOM 1378 CG MET A 145 0.470 5.002 10.305 1.00 0.00 C ATOM 1379 SD MET A 145 -0.642 6.186 11.089 1.00 0.00 S ATOM 1380 CE MET A 145 -2.235 5.555 10.569 1.00 0.00 C ATOM 1381 H MET A 145 4.535 5.960 10.491 1.00 0.00 H ATOM 1382 N THR A 146 2.930 8.247 11.556 1.00 0.00 N ATOM 1383 CA THR A 146 2.683 9.529 12.227 1.00 0.00 C ATOM 1384 C THR A 146 2.894 10.654 11.194 1.00 0.00 C ATOM 1385 O THR A 146 2.523 11.811 11.408 1.00 0.00 O ATOM 1386 CB THR A 146 3.574 9.727 13.492 1.00 0.00 C ATOM 1387 OG1 THR A 146 3.338 11.017 14.072 1.00 0.00 O ATOM 1388 CG2 THR A 146 5.063 9.570 13.194 1.00 0.00 C ATOM 1389 HG1 THR A 146 3.556 11.720 13.410 1.00 0.00 H ATOM 1390 H THR A 146 3.748 7.671 11.840 1.00 0.00 H ATOM 1391 N ALA A 147 3.513 10.244 10.065 1.00 0.00 N ATOM 1392 CA ALA A 147 3.762 11.085 8.918 1.00 0.00 C ATOM 1393 C ALA A 147 3.733 10.237 7.645 1.00 0.00 C ATOM 1394 O ALA A 147 4.771 9.907 7.055 1.00 0.00 O ATOM 1395 CB ALA A 147 5.097 11.781 9.033 1.00 0.00 C ATOM 1396 H ALA A 147 3.832 9.255 10.019 1.00 0.00 H ATOM 1397 N LYS A 148 2.519 9.872 7.252 1.00 0.00 N ATOM 1398 CA LYS A 148 2.255 9.092 6.029 1.00 0.00 C ATOM 1399 C LYS A 148 2.590 9.891 4.761 1.00 0.00 C ATOM 1400 O LYS A 148 3.451 9.428 3.984 1.00 0.00 O ATOM 1401 CB LYS A 148 0.784 8.654 5.994 1.00 0.00 C ATOM 1402 CG LYS A 148 0.356 7.834 7.208 1.00 0.00 C ATOM 1403 CD LYS A 148 -1.157 7.847 7.407 1.00 0.00 C ATOM 1404 CE LYS A 148 -1.811 6.550 6.943 1.00 0.00 C ATOM 1405 NZ LYS A 148 -1.769 6.394 5.461 1.00 0.00 N ATOM 1406 OXT LYS A 148 1.995 10.974 4.564 1.00 0.00 O ATOM 1407 HZ1 LYS A 148 -2.273 7.187 5.016 1.00 0.00 H ATOM 1408 HZ2 LYS A 148 -0.779 6.388 5.142 1.00 0.00 H ATOM 1409 HZ3 LYS A 148 -2.225 5.498 5.195 1.00 0.00 H ATOM 1410 H LYS A 148 1.708 10.152 7.840 1.00 0.00 H TER 1411 LYS A 148 HETATM 1412 N TPO A 1 8.990 2.481 -1.249 1.00 0.24 N HETATM 1413 CA TPO A 1 9.299 3.539 -0.251 1.00 0.09 C HETATM 1414 CB TPO A 1 8.744 4.915 -0.688 1.00 0.11 C HETATM 1415 CG2 TPO A 1 9.783 5.708 -1.463 1.00 -0.03 C HETATM 1416 H TPO A 1 9.358 6.679 -1.758 1.00 0.03 H HETATM 1417 H TPO A 1 10.076 5.147 -2.363 1.00 0.03 H HETATM 1418 H TPO A 1 10.667 5.872 -0.829 1.00 0.03 H HETATM 1419 OG1 TPO A 1 7.572 4.749 -1.494 1.00 -0.38 O HETATM 1420 H TPO A 1 6.923 4.253 -1.009 1.00 0.21 H HETATM 1421 H TPO A 1 8.474 5.482 0.215 1.00 0.07 H HETATM 1422 C TPO A 1 8.718 3.186 1.110 1.00 0.23 C HETATM 1423 O TPO A 1 7.574 2.766 1.206 1.00 -0.39 O HETATM 1424 N TPO A 1 9.517 3.339 2.164 1.00 -0.26 N HETATM 1425 CA TPO A 1 9.063 3.041 3.525 1.00 0.14 C HETATM 1426 C TPO A 1 8.156 4.144 4.090 1.00 0.21 C HETATM 1427 O TPO A 1 7.222 3.842 4.828 1.00 -0.39 O HETATM 1428 N TPO A 1 8.427 5.411 3.723 1.00 -0.26 N HETATM 1429 CA TPO A 1 7.648 6.570 4.216 1.00 0.13 C HETATM 1430 C TPO A 1 6.243 6.772 3.589 1.00 0.20 C HETATM 1431 O TPO A 1 5.248 6.804 4.317 1.00 -0.39 O HETATM 1432 N TPO A 1 6.170 6.908 2.248 1.00 -0.26 N HETATM 1433 CA TPO A 1 4.888 7.161 1.535 1.00 0.13 C HETATM 1434 C TPO A 1 4.010 5.918 1.329 1.00 0.20 C HETATM 1435 O TPO A 1 2.784 5.993 1.447 1.00 -0.39 O HETATM 1436 N TPO A 1 4.653 4.788 1.019 1.00 -0.26 N HETATM 1437 CA TPO A 1 3.984 3.495 0.748 1.00 0.13 C HETATM 1438 C TPO A 1 2.969 3.066 1.836 1.00 0.20 C HETATM 1439 O TPO A 1 2.040 2.310 1.539 1.00 -0.39 O HETATM 1440 N TPO A 1 3.153 3.539 3.079 1.00 -0.26 N HETATM 1441 CA TPO A 1 2.272 3.179 4.212 1.00 0.13 C HETATM 1442 C TPO A 1 0.783 3.339 3.890 1.00 0.20 C HETATM 1443 O TPO A 1 -0.027 2.493 4.273 1.00 -0.39 O HETATM 1444 N TPO A 1 0.439 4.421 3.185 1.00 -0.26 N HETATM 1445 CA TPO A 1 -0.945 4.693 2.786 1.00 0.15 C HETATM 1446 C TPO A 1 -1.395 3.727 1.668 1.00 0.21 C HETATM 1447 O TPO A 1 -2.594 3.492 1.488 1.00 -0.39 O HETATM 1448 N TPO A 1 -0.412 3.180 0.929 1.00 -0.26 N HETATM 1449 CA TPO A 1 -0.661 2.227 -0.163 1.00 0.13 C HETATM 1450 C TPO A 1 -0.975 0.818 0.364 1.00 0.20 C HETATM 1451 O TPO A 1 -1.946 0.198 -0.069 1.00 -0.39 O HETATM 1452 N TPO A 1 -0.135 0.311 1.288 1.00 -0.26 N HETATM 1453 CA TPO A 1 -0.332 -1.026 1.888 1.00 0.13 C HETATM 1454 C TPO A 1 -1.529 -1.032 2.877 1.00 0.20 C HETATM 1455 O TPO A 1 -2.171 -2.068 3.072 1.00 -0.39 O HETATM 1456 N TPO A 1 -1.808 0.135 3.487 1.00 -0.26 N HETATM 1457 CA TPO A 1 -2.902 0.286 4.465 1.00 0.13 C HETATM 1458 C TPO A 1 -4.299 0.244 3.817 1.00 0.20 C HETATM 1459 O TPO A 1 -5.295 0.045 4.519 1.00 -0.39 O HETATM 1460 N TPO A 1 -4.371 0.430 2.485 1.00 -0.26 N HETATM 1461 CA TPO A 1 -5.658 0.407 1.760 1.00 0.13 C HETATM 1462 C TPO A 1 -6.209 -1.038 1.600 1.00 0.20 C HETATM 1463 O TPO A 1 -7.241 -1.248 0.956 1.00 -0.39 O HETATM 1464 N TPO A 1 -5.503 -2.006 2.196 1.00 -0.26 N HETATM 1465 CA TPO A 1 -5.895 -3.417 2.150 1.00 0.15 C HETATM 1466 C TPO A 1 -6.627 -3.824 3.439 1.00 0.21 C HETATM 1467 O TPO A 1 -6.911 -5.008 3.660 1.00 -0.39 O HETATM 1468 N TPO A 1 -6.947 -2.824 4.274 1.00 -0.26 N HETATM 1469 CA TPO A 1 -7.628 -3.045 5.554 1.00 0.13 C HETATM 1470 C TPO A 1 -9.157 -3.112 5.415 1.00 0.20 C HETATM 1471 O TPO A 1 -9.853 -3.445 6.380 1.00 -0.39 O HETATM 1472 N TPO A 1 -9.672 -2.805 4.214 1.00 -0.26 N HETATM 1473 CA TPO A 1 -11.115 -2.832 3.957 1.00 0.15 C HETATM 1474 C TPO A 1 -11.582 -4.230 3.540 1.00 0.21 C HETATM 1475 O TPO A 1 -12.503 -4.783 4.147 1.00 -0.39 O HETATM 1476 N TPO A 1 -10.929 -4.804 2.519 1.00 -0.26 N HETATM 1477 CA TPO A 1 -11.281 -6.144 2.028 1.00 0.13 C HETATM 1478 C TPO A 1 -10.555 -7.247 2.810 1.00 0.20 C HETATM 1479 O TPO A 1 -10.931 -8.420 2.726 1.00 -0.39 O HETATM 1480 N TPO A 1 -9.517 -6.859 3.566 1.00 -0.27 N HETATM 1481 CA TPO A 1 -8.741 -7.799 4.376 1.00 0.10 C HETATM 1482 C TPO A 1 -8.523 -7.232 5.783 1.00 0.06 C HETATM 1483 O TPO A 1 -9.001 -7.860 6.752 1.00 -0.57 O HETATM 1484 OXT TPO A 1 -7.885 -6.163 5.903 1.00 -0.57 O HETATM 1485 CB TPO A 1 -7.393 -8.113 3.700 1.00 -0.01 C HETATM 1486 CG TPO A 1 -6.769 -9.437 4.138 1.00 -0.00 C HETATM 1487 SD TPO A 1 -7.805 -10.861 3.745 1.00 -0.16 S HETATM 1488 CE TPO A 1 -7.173 -12.070 4.906 1.00 -0.02 C HETATM 1489 H TPO A 1 -7.720 -13.016 4.784 1.00 0.03 H HETATM 1490 H TPO A 1 -7.308 -11.698 5.932 1.00 0.03 H HETATM 1491 H TPO A 1 -6.103 -12.238 4.714 1.00 0.03 H HETATM 1492 H TPO A 1 -6.610 -9.408 5.226 1.00 0.04 H HETATM 1493 H TPO A 1 -5.801 -9.555 3.629 1.00 0.04 H HETATM 1494 H TPO A 1 -6.689 -7.303 3.941 1.00 0.03 H HETATM 1495 H TPO A 1 -7.552 -8.149 2.612 1.00 0.03 H HETATM 1496 H TPO A 1 -9.311 -8.736 4.463 1.00 0.07 H HETATM 1497 H TPO A 1 -9.264 -5.892 3.576 1.00 0.19 H HETATM 1498 CB TPO A 1 -10.975 -6.268 0.528 1.00 -0.01 C HETATM 1499 CG TPO A 1 -12.015 -5.640 -0.416 1.00 -0.04 C HETATM 1500 CD1 TPO A 1 -11.380 -5.289 -1.753 1.00 -0.06 C HETATM 1501 H TPO A 1 -12.138 -4.842 -2.413 1.00 0.02 H HETATM 1502 H TPO A 1 -10.980 -6.201 -2.220 1.00 0.02 H HETATM 1503 H TPO A 1 -10.563 -4.570 -1.593 1.00 0.02 H HETATM 1504 CD2 TPO A 1 -13.196 -6.582 -0.631 1.00 -0.06 C HETATM 1505 H TPO A 1 -13.649 -6.830 0.340 1.00 0.02 H HETATM 1506 H TPO A 1 -12.846 -7.504 -1.119 1.00 0.02 H HETATM 1507 H TPO A 1 -13.945 -6.091 -1.270 1.00 0.02 H HETATM 1508 H TPO A 1 -12.388 -4.715 0.047 1.00 0.03 H HETATM 1509 H TPO A 1 -10.900 -7.338 0.285 1.00 0.03 H HETATM 1510 H TPO A 1 -10.008 -5.780 0.338 1.00 0.03 H HETATM 1511 H TPO A 1 -12.363 -6.283 2.171 1.00 0.08 H HETATM 1512 H TPO A 1 -10.181 -4.306 2.079 1.00 0.19 H HETATM 1513 CB TPO A 1 -11.492 -1.795 2.892 1.00 0.08 C HETATM 1514 OG TPO A 1 -11.641 -0.509 3.466 1.00 -0.39 O HETATM 1515 H TPO A 1 -11.874 0.114 2.788 1.00 0.21 H HETATM 1516 H TPO A 1 -12.441 -2.091 2.422 1.00 0.06 H HETATM 1517 H TPO A 1 -10.700 -1.759 2.129 1.00 0.06 H HETATM 1518 H TPO A 1 -11.632 -2.566 4.891 1.00 0.08 H HETATM 1519 H TPO A 1 -9.052 -2.550 3.472 1.00 0.19 H HETATM 1520 CB TPO A 1 -7.237 -1.950 6.535 1.00 -0.02 C HETATM 1521 H TPO A 1 -7.749 -2.117 7.494 1.00 0.03 H HETATM 1522 H TPO A 1 -7.531 -0.971 6.128 1.00 0.03 H HETATM 1523 H TPO A 1 -6.148 -1.970 6.692 1.00 0.03 H HETATM 1524 H TPO A 1 -7.285 -4.010 5.956 1.00 0.08 H HETATM 1525 H TPO A 1 -6.711 -1.888 4.013 1.00 0.19 H HETATM 1526 CB TPO A 1 -4.651 -4.292 1.955 1.00 0.08 C HETATM 1527 OG TPO A 1 -3.875 -3.844 0.857 1.00 -0.39 O HETATM 1528 H TPO A 1 -3.113 -4.403 0.760 1.00 0.21 H HETATM 1529 H TPO A 1 -4.967 -5.329 1.771 1.00 0.06 H HETATM 1530 H TPO A 1 -4.038 -4.252 2.867 1.00 0.06 H HETATM 1531 H TPO A 1 -6.574 -3.567 1.297 1.00 0.08 H HETATM 1532 H TPO A 1 -4.673 -1.756 2.694 1.00 0.19 H HETATM 1533 CB TPO A 1 -5.538 1.145 0.380 1.00 -0.00 C HETATM 1534 CG1 TPO A 1 -6.914 1.595 -0.141 1.00 -0.05 C HETATM 1535 CD1 TPO A 1 -6.931 3.028 -0.638 1.00 -0.06 C HETATM 1536 H TPO A 1 -7.941 3.281 -0.994 1.00 0.02 H HETATM 1537 H TPO A 1 -6.213 3.138 -1.464 1.00 0.02 H HETATM 1538 H TPO A 1 -6.652 3.704 0.183 1.00 0.02 H HETATM 1539 H TPO A 1 -7.644 1.501 0.676 1.00 0.03 H HETATM 1540 H TPO A 1 -7.205 0.935 -0.971 1.00 0.03 H HETATM 1541 CG2 TPO A 1 -4.827 0.293 -0.674 1.00 -0.06 C HETATM 1542 H TPO A 1 -3.846 -0.022 -0.290 1.00 0.02 H HETATM 1543 H TPO A 1 -4.689 0.884 -1.591 1.00 0.02 H HETATM 1544 H TPO A 1 -5.435 -0.596 -0.898 1.00 0.02 H HETATM 1545 H TPO A 1 -4.930 2.047 0.543 1.00 0.03 H HETATM 1546 H TPO A 1 -6.386 0.965 2.367 1.00 0.08 H HETATM 1547 H TPO A 1 -3.528 0.589 1.971 1.00 0.19 H HETATM 1548 CB TPO A 1 -2.732 1.599 5.240 1.00 -0.01 C HETATM 1549 CG TPO A 1 -3.286 1.560 6.659 1.00 -0.04 C HETATM 1550 CD TPO A 1 -3.137 2.907 7.353 1.00 -0.01 C HETATM 1551 CE TPO A 1 -3.774 2.902 8.736 1.00 -0.04 C HETATM 1552 NZ TPO A 1 -2.972 2.124 9.723 1.00 0.22 N HETATM 1553 H TPO A 1 -3.429 2.148 10.621 1.00 0.20 H HETATM 1554 H TPO A 1 -2.053 2.530 9.803 1.00 0.20 H HETATM 1555 H TPO A 1 -2.892 1.169 9.412 1.00 0.20 H HETATM 1556 H TPO A 1 -4.776 2.455 8.663 1.00 0.08 H HETATM 1557 H TPO A 1 -3.861 3.940 9.090 1.00 0.08 H HETATM 1558 H TPO A 1 -3.623 3.680 6.739 1.00 0.03 H HETATM 1559 H TPO A 1 -2.067 3.139 7.455 1.00 0.03 H HETATM 1560 H TPO A 1 -2.740 0.799 7.235 1.00 0.03 H HETATM 1561 H TPO A 1 -4.353 1.294 6.619 1.00 0.03 H HETATM 1562 H TPO A 1 -3.252 2.396 4.688 1.00 0.03 H HETATM 1563 H TPO A 1 -1.658 1.831 5.295 1.00 0.03 H HETATM 1564 H TPO A 1 -2.835 -0.550 5.177 1.00 0.08 H HETATM 1565 H TPO A 1 -1.249 0.935 3.268 1.00 0.19 H HETATM 1566 CB TPO A 1 0.980 -1.573 2.575 1.00 -0.01 C HETATM 1567 CG1 TPO A 1 1.485 -0.649 3.684 1.00 -0.06 C HETATM 1568 H TPO A 1 2.397 -1.074 4.128 1.00 0.02 H HETATM 1569 H TPO A 1 0.711 -0.550 4.460 1.00 0.02 H HETATM 1570 H TPO A 1 1.710 0.342 3.262 1.00 0.02 H HETATM 1571 CG2 TPO A 1 0.779 -2.992 3.112 1.00 -0.06 C HETATM 1572 H TPO A 1 0.416 -3.642 2.303 1.00 0.02 H HETATM 1573 H TPO A 1 0.041 -2.974 3.927 1.00 0.02 H HETATM 1574 H TPO A 1 1.736 -3.379 3.492 1.00 0.02 H HETATM 1575 H TPO A 1 1.760 -1.617 1.801 1.00 0.03 H HETATM 1576 H TPO A 1 -0.581 -1.716 1.068 1.00 0.08 H HETATM 1577 H TPO A 1 0.650 0.859 1.578 1.00 0.19 H HETATM 1578 CB TPO A 1 0.528 2.192 -1.115 1.00 -0.02 C HETATM 1579 H TPO A 1 0.328 1.476 -1.926 1.00 0.03 H HETATM 1580 H TPO A 1 1.429 1.881 -0.565 1.00 0.03 H HETATM 1581 H TPO A 1 0.686 3.194 -1.541 1.00 0.03 H HETATM 1582 H TPO A 1 -1.539 2.579 -0.725 1.00 0.08 H HETATM 1583 H TPO A 1 0.534 3.434 1.132 1.00 0.19 H HETATM 1584 CB TPO A 1 -1.066 6.161 2.352 1.00 0.08 C HETATM 1585 CG TPO A 1 -2.507 6.633 2.214 1.00 0.18 C HETATM 1586 OD1 TPO A 1 -3.101 7.141 3.164 1.00 -0.40 O HETATM 1587 ND2 TPO A 1 -3.072 6.464 1.024 1.00 -0.30 N HETATM 1588 H TPO A 1 -4.017 6.755 0.873 1.00 0.18 H HETATM 1589 H TPO A 1 -2.553 6.046 0.279 1.00 0.18 H HETATM 1590 H TPO A 1 -0.565 6.280 1.380 1.00 0.06 H HETATM 1591 H TPO A 1 -0.564 6.789 3.102 1.00 0.06 H HETATM 1592 H TPO A 1 -1.598 4.534 3.657 1.00 0.08 H HETATM 1593 H TPO A 1 1.153 5.069 2.920 1.00 0.19 H HETATM 1594 CB TPO A 1 2.601 4.052 5.403 1.00 -0.02 C HETATM 1595 H TPO A 1 1.946 3.785 6.245 1.00 0.03 H HETATM 1596 H TPO A 1 2.445 5.108 5.138 1.00 0.03 H HETATM 1597 H TPO A 1 3.651 3.898 5.692 1.00 0.03 H HETATM 1598 H TPO A 1 2.460 2.127 4.473 1.00 0.08 H HETATM 1599 H TPO A 1 3.918 4.161 3.246 1.00 0.19 H HETATM 1600 CB TPO A 1 5.037 2.383 0.467 1.00 -0.01 C HETATM 1601 CG1 TPO A 1 4.480 0.972 0.634 1.00 -0.06 C HETATM 1602 H TPO A 1 5.271 0.238 0.422 1.00 0.02 H HETATM 1603 H TPO A 1 3.644 0.823 -0.065 1.00 0.02 H HETATM 1604 H TPO A 1 4.123 0.838 1.666 1.00 0.02 H HETATM 1605 CG2 TPO A 1 5.584 2.537 -0.946 1.00 -0.06 C HETATM 1606 H TPO A 1 5.988 3.552 -1.074 1.00 0.02 H HETATM 1607 H TPO A 1 4.775 2.369 -1.673 1.00 0.02 H HETATM 1608 H TPO A 1 6.384 1.801 -1.112 1.00 0.02 H HETATM 1609 H TPO A 1 5.863 2.510 1.182 1.00 0.03 H HETATM 1610 H TPO A 1 3.405 3.630 -0.177 1.00 0.08 H HETATM 1611 H TPO A 1 5.651 4.818 0.967 1.00 0.19 H HETATM 1612 CB TPO A 1 5.115 7.879 0.185 1.00 -0.00 C HETATM 1613 CG TPO A 1 6.299 7.378 -0.639 1.00 0.00 C HETATM 1614 CD TPO A 1 7.598 8.072 -0.275 1.00 0.04 C HETATM 1615 OE1 TPO A 1 8.298 7.585 0.637 1.00 -0.57 O HETATM 1616 OE2 TPO A 1 7.915 9.104 -0.903 1.00 -0.57 O HETATM 1617 H TPO A 1 6.089 7.559 -1.704 1.00 0.04 H HETATM 1618 H TPO A 1 6.416 6.298 -0.467 1.00 0.04 H HETATM 1619 H TPO A 1 5.275 8.947 0.393 1.00 0.03 H HETATM 1620 H TPO A 1 4.205 7.756 -0.421 1.00 0.03 H HETATM 1621 H TPO A 1 4.313 7.848 2.174 1.00 0.08 H HETATM 1622 H TPO A 1 7.011 6.836 1.712 1.00 0.19 H HETATM 1623 CB TPO A 1 8.477 7.843 4.026 1.00 -0.01 C HETATM 1624 CG TPO A 1 9.763 7.830 4.826 1.00 -0.04 C HETATM 1625 CD TPO A 1 10.753 8.860 4.312 1.00 -0.01 C HETATM 1626 CE TPO A 1 11.974 8.959 5.212 1.00 -0.04 C HETATM 1627 NZ TPO A 1 12.958 9.955 4.706 1.00 0.22 N HETATM 1628 H TPO A 1 13.750 9.991 5.328 1.00 0.20 H HETATM 1629 H TPO A 1 12.524 10.864 4.662 1.00 0.20 H HETATM 1630 H TPO A 1 13.266 9.685 3.785 1.00 0.20 H HETATM 1631 H TPO A 1 12.460 7.973 5.262 1.00 0.08 H HETATM 1632 H TPO A 1 11.650 9.260 6.219 1.00 0.08 H HETATM 1633 H TPO A 1 10.258 9.842 4.272 1.00 0.03 H HETATM 1634 H TPO A 1 11.077 8.571 3.301 1.00 0.03 H HETATM 1635 H TPO A 1 10.218 6.831 4.754 1.00 0.03 H HETATM 1636 H TPO A 1 9.531 8.052 5.878 1.00 0.03 H HETATM 1637 H TPO A 1 7.874 8.706 4.344 1.00 0.03 H HETATM 1638 H TPO A 1 8.727 7.944 2.960 1.00 0.03 H HETATM 1639 H TPO A 1 7.495 6.416 5.294 1.00 0.08 H HETATM 1640 H TPO A 1 9.185 5.576 3.092 1.00 0.19 H HETATM 1641 CB TPO A 1 10.258 2.737 4.433 1.00 0.02 C HETATM 1642 CG TPO A 1 10.249 1.280 4.802 1.00 -0.04 C HETATM 1643 CD1 TPO A 1 10.739 0.316 3.929 1.00 -0.06 C HETATM 1644 CE1 TPO A 1 10.657 -1.026 4.243 1.00 -0.07 C HETATM 1645 CZ TPO A 1 10.088 -1.419 5.436 1.00 -0.07 C HETATM 1646 CE2 TPO A 1 9.603 -0.470 6.313 1.00 -0.07 C HETATM 1647 CD2 TPO A 1 9.679 0.871 5.990 1.00 -0.06 C HETATM 1648 H TPO A 1 9.286 1.611 6.678 1.00 0.06 H HETATM 1649 H TPO A 1 9.163 -0.777 7.255 1.00 0.06 H HETATM 1650 H TPO A 1 10.022 -2.472 5.685 1.00 0.06 H HETATM 1651 H TPO A 1 11.039 -1.769 3.553 1.00 0.06 H HETATM 1652 H TPO A 1 11.190 0.621 2.992 1.00 0.06 H HETATM 1653 H TPO A 1 10.189 3.347 5.346 1.00 0.05 H HETATM 1654 H TPO A 1 11.192 2.975 3.902 1.00 0.05 H HETATM 1655 H TPO A 1 8.455 2.126 3.472 1.00 0.08 H HETATM 1656 H TPO A 1 10.451 3.666 2.023 1.00 0.19 H HETATM 1657 H TPO A 1 10.393 3.615 -0.159 1.00 0.11 H HETATM 1658 H TPO A 1 9.384 2.736 -2.141 1.00 0.20 H HETATM 1659 H TPO A 1 7.991 2.385 -1.338 1.00 0.20 H HETATM 1660 H TPO A 1 9.386 1.606 -0.944 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1412 1413 1658 1659 1660 CONECT 1413 1412 1414 1422 1657 CONECT 1414 1413 1415 1419 1421 CONECT 1415 1414 1416 1417 1418 CONECT 1416 1415 CONECT 1417 1415 CONECT 1418 1415 CONECT 1419 1414 1420 CONECT 1420 1419 CONECT 1421 1414 CONECT 1422 1413 1423 1424 CONECT 1423 1422 CONECT 1424 1422 1425 1656 CONECT 1425 1424 1426 1641 1655 CONECT 1426 1425 1427 1428 CONECT 1427 1426 CONECT 1428 1426 1429 1640 CONECT 1429 1428 1430 1623 1639 CONECT 1430 1429 1431 1432 CONECT 1431 1430 CONECT 1432 1430 1433 1622 CONECT 1433 1432 1434 1612 1621 CONECT 1434 1433 1435 1436 CONECT 1435 1434 CONECT 1436 1434 1437 1611 CONECT 1437 1436 1438 1600 1610 CONECT 1438 1437 1439 1440 CONECT 1439 1438 CONECT 1440 1438 1441 1599 CONECT 1441 1440 1442 1594 1598 CONECT 1442 1441 1443 1444 CONECT 1443 1442 CONECT 1444 1442 1445 1593 CONECT 1445 1444 1446 1584 1592 CONECT 1446 1445 1447 1448 CONECT 1447 1446 CONECT 1448 1446 1449 1583 CONECT 1449 1448 1450 1578 1582 CONECT 1450 1449 1451 1452 CONECT 1451 1450 CONECT 1452 1450 1453 1577 CONECT 1453 1452 1454 1566 1576 CONECT 1454 1453 1455 1456 CONECT 1455 1454 CONECT 1456 1454 1457 1565 CONECT 1457 1456 1458 1548 1564 CONECT 1458 1457 1459 1460 CONECT 1459 1458 CONECT 1460 1458 1461 1547 CONECT 1461 1460 1462 1533 1546 CONECT 1462 1461 1463 1464 CONECT 1463 1462 CONECT 1464 1462 1465 1532 CONECT 1465 1464 1466 1526 1531 CONECT 1466 1465 1467 1468 CONECT 1467 1466 CONECT 1468 1466 1469 1525 CONECT 1469 1468 1470 1520 1524 CONECT 1470 1469 1471 1472 CONECT 1471 1470 CONECT 1472 1470 1473 1519 CONECT 1473 1472 1474 1513 1518 CONECT 1474 1473 1475 1476 CONECT 1475 1474 CONECT 1476 1474 1477 1512 CONECT 1477 1476 1478 1498 1511 CONECT 1478 1477 1479 1480 CONECT 1479 1478 CONECT 1480 1478 1481 1497 CONECT 1481 1480 1482 1485 1496 CONECT 1482 1481 1483 1484 CONECT 1483 1482 CONECT 1484 1482 CONECT 1485 1481 1486 1494 1495 CONECT 1486 1485 1487 1492 1493 CONECT 1487 1486 1488 CONECT 1488 1487 1489 1490 1491 CONECT 1489 1488 CONECT 1490 1488 CONECT 1491 1488 CONECT 1492 1486 CONECT 1493 1486 CONECT 1494 1485 CONECT 1495 1485 CONECT 1496 1481 CONECT 1497 1480 CONECT 1498 1477 1499 1509 1510 CONECT 1499 1498 1500 1504 1508 CONECT 1500 1499 1501 1502 1503 CONECT 1501 1500 CONECT 1502 1500 CONECT 1503 1500 CONECT 1504 1499 1505 1506 1507 CONECT 1505 1504 CONECT 1506 1504 CONECT 1507 1504 CONECT 1508 1499 CONECT 1509 1498 CONECT 1510 1498 CONECT 1511 1477 CONECT 1512 1476 CONECT 1513 1473 1514 1516 1517 CONECT 1514 1513 1515 CONECT 1515 1514 CONECT 1516 1513 CONECT 1517 1513 CONECT 1518 1473 CONECT 1519 1472 CONECT 1520 1469 1521 1522 1523 CONECT 1521 1520 CONECT 1522 1520 CONECT 1523 1520 CONECT 1524 1469 CONECT 1525 1468 CONECT 1526 1465 1527 1529 1530 CONECT 1527 1526 1528 CONECT 1528 1527 CONECT 1529 1526 CONECT 1530 1526 CONECT 1531 1465 CONECT 1532 1464 CONECT 1533 1461 1534 1541 1545 CONECT 1534 1533 1535 1539 1540 CONECT 1535 1534 1536 1537 1538 CONECT 1536 1535 CONECT 1537 1535 CONECT 1538 1535 CONECT 1539 1534 CONECT 1540 1534 CONECT 1541 1533 1542 1543 1544 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1541 CONECT 1545 1533 CONECT 1546 1461 CONECT 1547 1460 CONECT 1548 1457 1549 1562 1563 CONECT 1549 1548 1550 1560 1561 CONECT 1550 1549 1551 1558 1559 CONECT 1551 1550 1552 1556 1557 CONECT 1552 1551 1553 1554 1555 CONECT 1553 1552 CONECT 1554 1552 CONECT 1555 1552 CONECT 1556 1551 CONECT 1557 1551 CONECT 1558 1550 CONECT 1559 1550 CONECT 1560 1549 CONECT 1561 1549 CONECT 1562 1548 CONECT 1563 1548 CONECT 1564 1457 CONECT 1565 1456 CONECT 1566 1453 1567 1571 1575 CONECT 1567 1566 1568 1569 1570 CONECT 1568 1567 CONECT 1569 1567 CONECT 1570 1567 CONECT 1571 1566 1572 1573 1574 CONECT 1572 1571 CONECT 1573 1571 CONECT 1574 1571 CONECT 1575 1566 CONECT 1576 1453 CONECT 1577 1452 CONECT 1578 1449 1579 1580 1581 CONECT 1579 1578 CONECT 1580 1578 CONECT 1581 1578 CONECT 1582 1449 CONECT 1583 1448 CONECT 1584 1445 1585 1590 1591 CONECT 1585 1584 1586 1587 CONECT 1586 1585 CONECT 1587 1585 1588 1589 CONECT 1588 1587 CONECT 1589 1587 CONECT 1590 1584 CONECT 1591 1584 CONECT 1592 1445 CONECT 1593 1444 CONECT 1594 1441 1595 1596 1597 CONECT 1595 1594 CONECT 1596 1594 CONECT 1597 1594 CONECT 1598 1441 CONECT 1599 1440 CONECT 1600 1437 1601 1605 1609 CONECT 1601 1600 1602 1603 1604 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1601 CONECT 1605 1600 1606 1607 1608 CONECT 1606 1605 CONECT 1607 1605 CONECT 1608 1605 CONECT 1609 1600 CONECT 1610 1437 CONECT 1611 1436 CONECT 1612 1433 1613 1619 1620 CONECT 1613 1612 1614 1617 1618 CONECT 1614 1613 1615 1616 CONECT 1615 1614 CONECT 1616 1614 CONECT 1617 1613 CONECT 1618 1613 CONECT 1619 1612 CONECT 1620 1612 CONECT 1621 1433 CONECT 1622 1432 CONECT 1623 1429 1624 1637 1638 CONECT 1624 1623 1625 1635 1636 CONECT 1625 1624 1626 1633 1634 CONECT 1626 1625 1627 1631 1632 CONECT 1627 1626 1628 1629 1630 CONECT 1628 1627 CONECT 1629 1627 CONECT 1630 1627 CONECT 1631 1626 CONECT 1632 1626 CONECT 1633 1625 CONECT 1634 1625 CONECT 1635 1624 CONECT 1636 1624 CONECT 1637 1623 CONECT 1638 1623 CONECT 1639 1429 CONECT 1640 1428 CONECT 1641 1425 1642 1653 1654 CONECT 1642 1641 1643 1647 CONECT 1643 1642 1644 1652 CONECT 1644 1643 1645 1651 CONECT 1645 1644 1646 1650 CONECT 1646 1645 1647 1649 CONECT 1647 1642 1646 1648 CONECT 1648 1647 CONECT 1649 1646 CONECT 1650 1645 CONECT 1651 1644 CONECT 1652 1643 CONECT 1653 1641 CONECT 1654 1641 CONECT 1655 1425 CONECT 1656 1424 CONECT 1657 1413 CONECT 1658 1412 CONECT 1659 1412 CONECT 1660 1412 MASTER 0 0 0 0 0 0 0 0 1659 1 253 12 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
17aa, >2LL7_2|Chain... at 100%
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PDBbind
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PDB Code
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Ligand Name
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PDBbind
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PDBbind
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RCSB PDB
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PDBbind
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PDBbind
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PDBbind
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4ue1
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5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
2mg5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Calmodulin
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.7uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Biochemistry Vol. 53: pp. 1241-1249
Ligand Properties
Formula
C
7
6
H
1
3
2
N
1
9
O
2
3
S
Molecular Weight
1712.040
Exact Mass
1710.950
No. of atoms
251
No. of bonds
251
Polar Surface Area
723.1
LOGP Value
-5.17 (
Computed with XLOGP3
)
-2.09 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 22
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 74
No. of Nitrogen and Oxygen Atoms: 42
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCSC)CC(C)C)CO)C)CO)[C@H](CC)C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)[NH3+])Cc1ccccc1)CCCC[NH3+])CCC(=O)O)C)CC(=O)N)C
InChI String
InChI=1S/C76H129N19O23S/c1-14-40(8)60(75(116)92-53(35-96)70(111)82-41(9)62(103)91-54(36-97)71(112)89-50(32-37(2)3)68(109)87-49(76(117)118)28-31-119-13)95-65(106)47(25-19-21-30-78)86-74(115)59(39(6)7)93-63(104)43(11)81-67(108)52(34-55(79)99)88-61(102)42(10)83-73(114)58(38(4)5)94-66(107)48(26-27-56(100)101)85-64(105)46(24-18-20-29-77)84-69(110)51(33-45-22-16-15-17-23-45)90-72(113)57(80)44(12)98/h15-17,22-23,37-44,46-54,57-60,96-98H,14,18-21,24-36,77-78,80H2,1-13H3,(H2,79,99)(H,81,108)(H,82,111)(H,83,114)(H,84,110)(H,85,105)(H,86,115)(H,87,109)(H,88,102)(H,89,112)(H,90,113)(H,91,103)(H,92,116)(H,93,104)(H,94,107)(H,95,106)(H,100,101)(H,117,118)/p+3/t40-,41-,42-,43-,44+,46-,47-,48-,49-,50-,51-,52-,53-,54-,57-,58-,59-,60-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P29474
P0DP23
Entrez Gene ID
NCBI Entrez Gene ID:
4846
801
805
808
ASD
Information of known allosteric effects of PDB entries
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