Browse entries in the PDBbind-CN Database
HEADER 3WVM_COMPLEX COMPND 3WVM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 133 MET VAL ASP ALA PHE LEU GLY THR TRP LYS LEU VAL ASP SEQRES 2 A 133 SER LYS ASN PHE ASP ASP TYR MET LYS SER LEU GLY VAL SEQRES 3 A 133 GLY PHE ALA THR ARG GLN VAL ALA SER MET THR LYS PRO SEQRES 4 A 133 THR THR ILE ILE GLU LYS ASN GLY ASP ILE LEU THR LEU SEQRES 5 A 133 LYS THR HIS SER THR PHE LYS ASN THR GLU ILE SER PHE SEQRES 6 A 133 LYS LEU GLY VAL GLU PHE ASP GLU THR THR ALA ASP ASP SEQRES 7 A 133 ARG LYS VAL LYS SER ILE VAL THR LEU ASP GLY GLY LYS SEQRES 8 A 133 LEU VAL HIS LEU GLN LYS TRP ASP GLY GLN GLU THR THR SEQRES 9 A 133 LEU VAL ARG GLU LEU ILE ASP GLY LYS LEU ILE LEU THR SEQRES 10 A 133 LEU THR HIS GLY THR ALA VAL CYS THR ARG THR TYR GLU SEQRES 11 A 133 LYS GLU ALA HET STE A 308 55 ATOM 1 N MET A 0 13.559 3.861 -4.830 1.00 38.49 N ATOM 2 CA MET A 0 12.248 3.902 -5.576 1.00 25.03 C ATOM 3 C MET A 0 11.472 2.644 -5.063 1.00 18.02 C ATOM 4 O MET A 0 10.272 2.497 -5.117 1.00 27.39 O ATOM 5 CB MET A 0 12.688 4.014 -7.018 1.00 24.51 C ATOM 6 CG MET A 0 13.672 5.221 -7.185 1.00 31.73 C ATOM 7 SD MET A 0 13.741 5.683 -8.860 1.00 37.38 S ATOM 8 CE MET A 0 12.042 5.849 -9.333 1.00 65.25 C ATOM 9 HN3 MET A 0 14.057 2.977 -5.056 1.00 0.00 H ATOM 10 HN2 MET A 0 13.376 3.906 -3.807 1.00 0.00 H ATOM 11 HN1 MET A 0 14.144 4.672 -5.115 1.00 0.00 H ATOM 12 N VAL A 1 12.234 1.784 -4.501 1.00 21.76 N ATOM 13 CA VAL A 1 11.742 0.541 -3.905 1.00 13.83 C ATOM 14 C VAL A 1 11.478 0.640 -2.427 1.00 9.83 C ATOM 15 O VAL A 1 11.152 -0.369 -1.818 1.00 10.59 O ATOM 16 CB VAL A 1 12.847 -0.557 -4.137 1.00 19.52 C ATOM 17 CG1 VAL A 1 13.046 -0.749 -5.546 1.00 30.88 C ATOM 18 CG2 VAL A 1 14.102 -0.282 -3.340 1.00 26.82 C ATOM 19 H VAL A 1 13.255 1.978 -4.466 1.00 0.00 H ATOM 20 N ASP A 2 11.512 1.785 -1.754 1.00 9.66 N ATOM 21 CA ASP A 2 11.765 1.824 -0.319 1.00 9.83 C ATOM 22 C ASP A 2 10.521 1.433 0.472 1.00 8.25 C ATOM 23 O ASP A 2 10.618 0.887 1.571 1.00 8.81 O ATOM 24 CB ASP A 2 12.242 3.214 0.104 1.00 12.62 C ATOM 25 CG ASP A 2 13.629 3.538 -0.417 1.00 12.57 C ATOM 26 OD1 ASP A 2 14.618 3.108 0.212 1.00 11.34 O ATOM 27 OD2 ASP A 2 13.729 4.224 -1.456 1.00 18.03 O ATOM 28 H ASP A 2 11.354 2.677 -2.265 1.00 0.00 H ATOM 29 N ALA A 3 9.354 1.659 -0.123 1.00 10.12 N ATOM 30 CA ALA A 3 8.174 1.273 0.661 1.00 11.48 C ATOM 31 C ALA A 3 8.013 -0.266 0.717 1.00 9.90 C ATOM 32 O ALA A 3 7.268 -0.761 1.554 1.00 12.66 O ATOM 33 CB ALA A 3 6.922 1.900 0.099 1.00 16.26 C ATOM 34 H ALA A 3 9.282 2.078 -1.072 1.00 0.00 H ATOM 35 N PHE A 4 8.727 -1.016 -0.158 1.00 7.46 N ATOM 36 CA PHE A 4 8.710 -2.471 -0.091 1.00 7.18 C ATOM 37 C PHE A 4 9.617 -3.046 0.996 1.00 6.92 C ATOM 38 O PHE A 4 9.533 -4.233 1.291 1.00 7.40 O ATOM 39 CB PHE A 4 9.167 -3.073 -1.433 1.00 8.02 C ATOM 40 CG PHE A 4 8.194 -2.850 -2.556 1.00 7.93 C ATOM 41 CD1 PHE A 4 7.098 -3.686 -2.700 1.00 9.53 C ATOM 42 CD2 PHE A 4 8.348 -1.842 -3.473 1.00 8.83 C ATOM 43 CE1 PHE A 4 6.195 -3.499 -3.736 1.00 9.86 C ATOM 44 CE2 PHE A 4 7.416 -1.675 -4.514 1.00 9.31 C ATOM 45 CZ PHE A 4 6.346 -2.495 -4.615 1.00 9.42 C ATOM 46 H PHE A 4 9.296 -0.545 -0.889 1.00 0.00 H ATOM 47 N LEU A 5 10.533 -2.238 1.505 1.00 6.71 N ATOM 48 CA LEU A 5 11.564 -2.776 2.394 1.00 5.93 C ATOM 49 C LEU A 5 10.972 -3.118 3.744 1.00 6.91 C ATOM 50 O LEU A 5 10.085 -2.402 4.236 1.00 12.70 O ATOM 51 CB LEU A 5 12.692 -1.759 2.539 1.00 6.50 C ATOM 52 CG LEU A 5 13.357 -1.335 1.230 1.00 7.02 C ATOM 53 CD1 LEU A 5 14.398 -0.269 1.533 1.00 11.29 C ATOM 54 CD2 LEU A 5 13.926 -2.555 0.463 1.00 9.62 C ATOM 55 H LEU A 5 10.520 -1.224 1.274 1.00 0.00 H ATOM 56 N GLY A 6 11.465 -4.171 4.347 1.00 5.94 N ATOM 57 CA GLY A 6 11.099 -4.547 5.688 1.00 7.27 C ATOM 58 C GLY A 6 10.743 -6.016 5.750 1.00 5.46 C ATOM 59 O GLY A 6 11.080 -6.808 4.876 1.00 5.70 O ATOM 60 H GLY A 6 12.151 -4.762 3.835 1.00 0.00 H ATOM 61 N THR A 7 10.088 -6.353 6.872 1.00 5.98 N ATOM 62 CA THR A 7 9.718 -7.730 7.184 1.00 5.82 C ATOM 63 C THR A 7 8.188 -7.830 7.053 1.00 6.06 C ATOM 64 O THR A 7 7.452 -7.031 7.622 1.00 7.90 O ATOM 65 CB THR A 7 10.171 -8.070 8.608 1.00 7.21 C ATOM 66 OG1 THR A 7 11.600 -7.974 8.656 1.00 9.37 O ATOM 67 CG2 THR A 7 9.800 -9.495 9.004 1.00 7.98 C ATOM 68 HG1 THR A 7 11.914 -8.190 9.570 1.00 0.00 H ATOM 69 H THR A 7 9.834 -5.603 7.546 1.00 0.00 H ATOM 70 N TRP A 8 7.778 -8.874 6.333 1.00 5.43 N ATOM 71 CA TRP A 8 6.386 -9.060 5.939 1.00 5.64 C ATOM 72 C TRP A 8 5.961 -10.488 6.260 1.00 5.34 C ATOM 73 O TRP A 8 6.732 -11.433 6.086 1.00 6.36 O ATOM 74 CB TRP A 8 6.295 -8.859 4.413 1.00 6.24 C ATOM 75 CG TRP A 8 6.685 -7.500 3.918 1.00 6.03 C ATOM 76 CD1 TRP A 8 7.929 -7.120 3.494 1.00 6.45 C ATOM 77 CD2 TRP A 8 5.828 -6.365 3.758 1.00 6.12 C ATOM 78 NE1 TRP A 8 7.898 -5.807 3.084 1.00 7.69 N ATOM 79 CE2 TRP A 8 6.608 -5.348 3.227 1.00 7.25 C ATOM 80 CE3 TRP A 8 4.467 -6.129 3.974 1.00 6.94 C ATOM 81 CZ2 TRP A 8 6.075 -4.091 2.910 1.00 8.84 C ATOM 82 CZ3 TRP A 8 3.920 -4.941 3.690 1.00 8.18 C ATOM 83 CH2 TRP A 8 4.706 -3.925 3.169 1.00 9.00 C ATOM 84 HE1 TRP A 8 8.707 -5.258 2.729 1.00 0.00 H ATOM 85 H TRP A 8 8.479 -9.585 6.040 1.00 0.00 H ATOM 86 N LYS A 9 4.703 -10.647 6.667 1.00 5.29 N ATOM 87 CA LYS A 9 4.189 -11.965 7.045 1.00 5.78 C ATOM 88 C LYS A 9 2.979 -12.311 6.200 1.00 5.22 C ATOM 89 O LYS A 9 2.105 -11.463 5.972 1.00 5.70 O ATOM 90 CB LYS A 9 3.754 -11.949 8.518 1.00 9.59 C ATOM 91 CG LYS A 9 4.626 -11.216 9.483 1.00 18.02 C ATOM 92 CD LYS A 9 5.943 -11.805 9.636 1.00 21.25 C ATOM 93 CE LYS A 9 5.785 -12.813 10.809 1.00 26.16 C ATOM 94 NZ LYS A 9 7.176 -13.178 11.040 1.00 14.13 N ATOM 95 HZ1 LYS A 9 7.570 -13.601 10.176 1.00 0.00 H ATOM 96 HZ2 LYS A 9 7.719 -12.327 11.290 1.00 0.00 H ATOM 97 HZ3 LYS A 9 7.228 -13.865 11.819 1.00 0.00 H ATOM 98 H LYS A 9 4.074 -9.820 6.717 1.00 0.00 H ATOM 99 N LEU A 10 2.882 -13.575 5.756 1.00 5.27 N ATOM 100 CA LEU A 10 1.744 -13.973 4.933 1.00 5.04 C ATOM 101 C LEU A 10 0.454 -13.989 5.776 1.00 5.02 C ATOM 102 O LEU A 10 0.402 -14.623 6.806 1.00 6.44 O ATOM 103 CB LEU A 10 1.972 -15.384 4.387 1.00 5.36 C ATOM 104 CG LEU A 10 0.873 -15.856 3.427 1.00 5.01 C ATOM 105 CD1 LEU A 10 0.999 -15.185 2.060 1.00 5.88 C ATOM 106 CD2 LEU A 10 0.900 -17.370 3.268 1.00 6.00 C ATOM 107 H LEU A 10 3.617 -14.270 5.998 1.00 0.00 H ATOM 108 N VAL A 11 -0.569 -13.262 5.257 1.00 5.50 N ATOM 109 CA VAL A 11 -1.888 -13.103 5.878 1.00 4.46 C ATOM 110 C VAL A 11 -3.077 -13.479 4.979 1.00 3.83 C ATOM 111 O VAL A 11 -4.209 -13.464 5.456 1.00 4.67 O ATOM 112 CB VAL A 11 -2.160 -11.685 6.442 1.00 4.98 C ATOM 113 CG1 VAL A 11 -1.118 -11.334 7.498 1.00 6.85 C ATOM 114 CG2 VAL A 11 -2.285 -10.621 5.344 1.00 6.56 C ATOM 115 H VAL A 11 -0.404 -12.781 4.350 1.00 0.00 H ATOM 116 N ASP A 12 -2.869 -13.811 3.705 1.00 3.86 N ATOM 117 CA ASP A 12 -3.964 -14.314 2.834 1.00 3.93 C ATOM 118 C ASP A 12 -3.319 -15.028 1.653 1.00 4.38 C ATOM 119 O ASP A 12 -2.296 -14.539 1.171 1.00 3.44 O ATOM 120 CB ASP A 12 -4.813 -13.154 2.334 1.00 4.35 C ATOM 121 CG ASP A 12 -6.121 -13.608 1.669 1.00 4.48 C ATOM 122 OD1 ASP A 12 -6.991 -14.048 2.400 1.00 7.78 O ATOM 123 OD2 ASP A 12 -6.189 -13.528 0.434 1.00 5.32 O ATOM 124 H ASP A 12 -1.912 -13.715 3.308 1.00 0.00 H ATOM 125 N SER A 13 -3.810 -16.179 1.216 1.00 3.96 N ATOM 126 CA SER A 13 -3.319 -16.885 0.022 1.00 4.48 C ATOM 127 C SER A 13 -4.549 -17.279 -0.834 1.00 3.49 C ATOM 128 O SER A 13 -5.496 -17.846 -0.286 1.00 3.10 O ATOM 129 CB SER A 13 -2.516 -18.136 0.414 1.00 4.51 C ATOM 130 OG SER A 13 -1.886 -18.779 -0.697 1.00 3.87 O ATOM 131 HG SER A 13 -2.576 -19.061 -1.349 1.00 0.00 H ATOM 132 H SER A 13 -4.591 -16.610 1.750 1.00 0.00 H ATOM 133 N LYS A 14 -4.539 -17.024 -2.154 1.00 4.02 N ATOM 134 CA LYS A 14 -5.551 -17.466 -3.100 1.00 3.90 C ATOM 135 C LYS A 14 -4.861 -18.131 -4.288 1.00 3.89 C ATOM 136 O LYS A 14 -4.002 -17.548 -4.932 1.00 4.33 O ATOM 137 CB LYS A 14 -6.385 -16.293 -3.595 1.00 4.41 C ATOM 138 CG LYS A 14 -7.165 -15.594 -2.481 1.00 4.99 C ATOM 139 CD LYS A 14 -8.007 -14.429 -3.002 1.00 6.97 C ATOM 140 CE LYS A 14 -8.937 -13.875 -1.968 1.00 7.27 C ATOM 141 NZ LYS A 14 -8.239 -12.982 -1.068 1.00 8.16 N ATOM 142 HZ1 LYS A 14 -7.477 -13.502 -0.588 1.00 0.00 H ATOM 143 HZ2 LYS A 14 -7.834 -12.193 -1.610 1.00 0.00 H ATOM 144 HZ3 LYS A 14 -8.907 -12.612 -0.362 1.00 0.00 H ATOM 145 H LYS A 14 -3.745 -16.467 -2.528 1.00 0.00 H ATOM 146 N ASN A 15 -5.277 -19.381 -4.565 1.00 3.75 N ATOM 147 CA ASN A 15 -4.846 -20.106 -5.760 1.00 4.16 C ATOM 148 C ASN A 15 -3.368 -20.500 -5.751 1.00 3.82 C ATOM 149 O ASN A 15 -2.806 -20.807 -6.814 1.00 4.44 O ATOM 150 CB ASN A 15 -5.181 -19.412 -7.057 1.00 4.59 C ATOM 151 CG ASN A 15 -6.618 -19.185 -7.315 1.00 4.97 C ATOM 152 OD1 ASN A 15 -7.508 -19.775 -6.681 1.00 5.15 O ATOM 153 ND2 ASN A 15 -6.861 -18.352 -8.327 1.00 7.86 N ATOM 154 HD22 ASN A 15 -6.071 -17.887 -8.819 1.00 0.00 H ATOM 155 HD21 ASN A 15 -7.840 -18.167 -8.624 1.00 0.00 H ATOM 156 H ASN A 15 -5.930 -19.849 -3.904 1.00 0.00 H ATOM 157 N PHE A 16 -2.732 -20.573 -4.576 1.00 3.96 N ATOM 158 CA PHE A 16 -1.334 -21.004 -4.569 1.00 3.94 C ATOM 159 C PHE A 16 -1.211 -22.466 -5.015 1.00 4.15 C ATOM 160 O PHE A 16 -0.221 -22.818 -5.669 1.00 4.36 O ATOM 161 CB PHE A 16 -0.708 -20.763 -3.199 1.00 4.20 C ATOM 162 CG PHE A 16 0.795 -20.931 -3.134 1.00 4.24 C ATOM 163 CD1 PHE A 16 1.656 -20.399 -4.093 1.00 4.70 C ATOM 164 CD2 PHE A 16 1.364 -21.547 -2.032 1.00 4.95 C ATOM 165 CE1 PHE A 16 3.029 -20.478 -3.966 1.00 5.10 C ATOM 166 CE2 PHE A 16 2.735 -21.626 -1.888 1.00 5.51 C ATOM 167 CZ PHE A 16 3.569 -21.096 -2.850 1.00 5.41 C ATOM 168 H PHE A 16 -3.219 -20.329 -3.690 1.00 0.00 H ATOM 169 N ASP A 17 -2.167 -23.322 -4.655 1.00 4.41 N ATOM 170 CA ASP A 17 -2.085 -24.692 -5.130 1.00 4.68 C ATOM 171 C ASP A 17 -2.118 -24.745 -6.652 1.00 5.01 C ATOM 172 O ASP A 17 -1.348 -25.491 -7.266 1.00 5.54 O ATOM 173 CB ASP A 17 -3.190 -25.554 -4.505 1.00 5.46 C ATOM 174 CG ASP A 17 -3.038 -26.994 -4.972 1.00 5.96 C ATOM 175 OD1 ASP A 17 -2.108 -27.661 -4.496 1.00 6.67 O ATOM 176 OD2 ASP A 17 -3.852 -27.439 -5.805 1.00 8.51 O ATOM 177 H ASP A 17 -2.954 -23.016 -4.048 1.00 0.00 H ATOM 178 N ASP A 18 -3.003 -23.968 -7.294 1.00 5.22 N ATOM 179 CA ASP A 18 -3.073 -23.920 -8.738 1.00 5.63 C ATOM 180 C ASP A 18 -1.697 -23.530 -9.310 1.00 5.27 C ATOM 181 O ASP A 18 -1.227 -24.094 -10.326 1.00 5.20 O ATOM 182 CB ASP A 18 -4.079 -22.864 -9.206 1.00 7.22 C ATOM 183 CG ASP A 18 -5.487 -23.183 -8.907 1.00 9.90 C ATOM 184 OD1 ASP A 18 -5.846 -24.357 -8.799 1.00 11.54 O ATOM 185 OD2 ASP A 18 -6.318 -22.288 -9.049 1.00 10.46 O ATOM 186 H ASP A 18 -3.658 -23.383 -6.737 1.00 0.00 H ATOM 187 N TYR A 19 -1.084 -22.506 -8.735 1.00 4.79 N ATOM 188 CA TYR A 19 0.227 -22.032 -9.211 1.00 4.74 C ATOM 189 C TYR A 19 1.291 -23.115 -9.078 1.00 4.43 C ATOM 190 O TYR A 19 2.032 -23.414 -10.023 1.00 5.12 O ATOM 191 CB TYR A 19 0.578 -20.761 -8.458 1.00 4.68 C ATOM 192 CG TYR A 19 1.925 -20.190 -8.845 1.00 4.48 C ATOM 193 CD1 TYR A 19 2.072 -19.492 -10.041 1.00 4.28 C ATOM 194 CD2 TYR A 19 3.044 -20.341 -8.045 1.00 4.76 C ATOM 195 CE1 TYR A 19 3.296 -18.985 -10.418 1.00 4.40 C ATOM 196 CE2 TYR A 19 4.277 -19.837 -8.407 1.00 4.89 C ATOM 197 CZ TYR A 19 4.407 -19.139 -9.603 1.00 4.41 C ATOM 198 OH TYR A 19 5.635 -18.638 -9.939 1.00 4.94 O ATOM 199 HH TYR A 19 5.572 -18.170 -10.809 1.00 0.00 H ATOM 200 H TYR A 19 -1.538 -22.027 -7.931 1.00 0.00 H ATOM 201 N MET A 20 1.375 -23.712 -7.889 1.00 4.86 N ATOM 202 CA MET A 20 2.336 -24.788 -7.679 1.00 4.92 C ATOM 203 C MET A 20 2.113 -25.960 -8.618 1.00 5.25 C ATOM 204 O MET A 20 3.054 -26.532 -9.157 1.00 5.91 O ATOM 205 CB MET A 20 2.292 -25.266 -6.228 1.00 5.14 C ATOM 206 CG MET A 20 2.795 -24.247 -5.206 1.00 5.37 C ATOM 207 SD MET A 20 2.906 -24.931 -3.535 1.00 5.40 S ATOM 208 CE MET A 20 1.165 -24.997 -3.095 1.00 5.57 C ATOM 209 H MET A 20 0.755 -23.410 -7.111 1.00 0.00 H ATOM 210 N LYS A 21 0.857 -26.335 -8.797 1.00 5.59 N ATOM 211 CA LYS A 21 0.589 -27.474 -9.664 1.00 6.48 C ATOM 212 C LYS A 21 1.001 -27.135 -11.094 1.00 5.93 C ATOM 213 O LYS A 21 1.542 -28.019 -11.793 1.00 8.64 O ATOM 214 CB LYS A 21 -0.899 -27.793 -9.555 1.00 7.23 C ATOM 215 CG LYS A 21 -1.262 -29.135 -10.139 1.00 9.24 C ATOM 216 CD LYS A 21 -2.704 -29.402 -9.953 1.00 13.43 C ATOM 217 CE LYS A 21 -3.146 -30.683 -10.729 1.00 21.36 C ATOM 218 NZ LYS A 21 -4.692 -30.869 -10.690 1.00 27.20 N ATOM 219 HZ1 LYS A 21 -5.004 -30.958 -9.702 1.00 0.00 H ATOM 220 HZ2 LYS A 21 -5.150 -30.044 -11.127 1.00 0.00 H ATOM 221 HZ3 LYS A 21 -4.950 -31.729 -11.215 1.00 0.00 H ATOM 222 H LYS A 21 0.079 -25.828 -8.329 1.00 0.00 H ATOM 223 N SER A 22 0.762 -25.915 -11.557 1.00 5.71 N ATOM 224 CA SER A 22 1.159 -25.505 -12.896 1.00 5.99 C ATOM 225 C SER A 22 2.673 -25.655 -13.102 1.00 5.96 C ATOM 226 O SER A 22 3.130 -26.013 -14.185 1.00 6.89 O ATOM 227 CB SER A 22 0.688 -24.071 -13.139 1.00 6.02 C ATOM 228 OG SER A 22 0.886 -23.693 -14.466 1.00 6.34 O ATOM 229 HG SER A 22 0.376 -24.298 -15.060 1.00 0.00 H ATOM 230 H SER A 22 0.276 -25.230 -10.944 1.00 0.00 H ATOM 231 N LEU A 23 3.448 -25.371 -12.037 1.00 6.12 N ATOM 232 CA LEU A 23 4.878 -25.510 -12.065 1.00 6.90 C ATOM 233 C LEU A 23 5.342 -26.971 -11.918 1.00 8.22 C ATOM 234 O LEU A 23 6.542 -27.237 -11.961 1.00 10.40 O ATOM 235 CB LEU A 23 5.508 -24.683 -10.943 1.00 6.12 C ATOM 236 CG LEU A 23 5.438 -23.170 -11.090 1.00 6.28 C ATOM 237 CD1 LEU A 23 5.940 -22.536 -9.802 1.00 6.87 C ATOM 238 CD2 LEU A 23 6.254 -22.681 -12.296 1.00 9.02 C ATOM 239 H LEU A 23 2.994 -25.039 -11.162 1.00 0.00 H ATOM 240 N GLY A 24 4.441 -27.905 -11.700 1.00 7.66 N ATOM 241 CA GLY A 24 4.814 -29.312 -11.546 1.00 9.56 C ATOM 242 C GLY A 24 5.251 -29.711 -10.143 1.00 8.05 C ATOM 243 O GLY A 24 5.873 -30.764 -9.980 1.00 9.97 O ATOM 244 H GLY A 24 3.438 -27.637 -11.635 1.00 0.00 H ATOM 245 N VAL A 25 4.917 -28.902 -9.138 1.00 6.94 N ATOM 246 CA VAL A 25 5.242 -29.250 -7.771 1.00 6.47 C ATOM 247 C VAL A 25 4.401 -30.460 -7.322 1.00 6.91 C ATOM 248 O VAL A 25 3.202 -30.489 -7.546 1.00 8.13 O ATOM 249 CB VAL A 25 4.998 -28.049 -6.867 1.00 6.37 C ATOM 250 CG1 VAL A 25 5.278 -28.386 -5.415 1.00 6.73 C ATOM 251 CG2 VAL A 25 5.830 -26.851 -7.296 1.00 7.30 C ATOM 252 H VAL A 25 4.418 -28.012 -9.338 1.00 0.00 H ATOM 253 N GLY A 26 5.043 -31.425 -6.676 1.00 7.80 N ATOM 254 CA GLY A 26 4.365 -32.634 -6.234 1.00 9.19 C ATOM 255 C GLY A 26 3.357 -32.408 -5.125 1.00 7.64 C ATOM 256 O GLY A 26 3.458 -31.454 -4.357 1.00 7.77 O ATOM 257 H GLY A 26 6.058 -31.314 -6.480 1.00 0.00 H ATOM 258 N PHE A 27 2.413 -33.362 -4.992 1.00 8.37 N ATOM 259 CA PHE A 27 1.296 -33.149 -4.095 1.00 8.51 C ATOM 260 C PHE A 27 1.716 -32.978 -2.660 1.00 7.69 C ATOM 261 O PHE A 27 1.057 -32.227 -1.937 1.00 7.83 O ATOM 262 CB PHE A 27 0.259 -34.266 -4.217 1.00 10.52 C ATOM 263 CG PHE A 27 0.694 -35.552 -3.530 1.00 11.69 C ATOM 264 CD1 PHE A 27 1.543 -36.449 -4.122 1.00 12.80 C ATOM 265 CD2 PHE A 27 0.285 -35.801 -2.257 1.00 14.74 C ATOM 266 CE1 PHE A 27 1.981 -37.577 -3.462 1.00 16.33 C ATOM 267 CE2 PHE A 27 0.775 -36.892 -1.561 1.00 19.50 C ATOM 268 CZ PHE A 27 1.596 -37.792 -2.172 1.00 19.78 C ATOM 269 H PHE A 27 2.487 -34.248 -5.532 1.00 0.00 H ATOM 270 N ALA A 28 2.754 -33.679 -2.207 1.00 8.50 N ATOM 271 CA ALA A 28 3.119 -33.622 -0.804 1.00 9.48 C ATOM 272 C ALA A 28 3.700 -32.273 -0.452 1.00 8.34 C ATOM 273 O ALA A 28 3.468 -31.698 0.606 1.00 8.91 O ATOM 274 CB ALA A 28 4.092 -34.744 -0.414 1.00 12.63 C ATOM 275 H ALA A 28 3.305 -34.270 -2.862 1.00 0.00 H ATOM 276 N THR A 29 4.506 -31.728 -1.374 1.00 7.84 N ATOM 277 CA THR A 29 5.052 -30.382 -1.181 1.00 7.60 C ATOM 278 C THR A 29 3.926 -29.360 -1.220 1.00 6.58 C ATOM 279 O THR A 29 3.916 -28.424 -0.425 1.00 6.89 O ATOM 280 CB THR A 29 6.127 -30.114 -2.251 1.00 7.71 C ATOM 281 OG1 THR A 29 7.245 -30.951 -1.973 1.00 10.37 O ATOM 282 CG2 THR A 29 6.623 -28.683 -2.232 1.00 7.81 C ATOM 283 HG1 THR A 29 6.962 -31.899 -2.003 1.00 0.00 H ATOM 284 H THR A 29 4.745 -32.264 -2.232 1.00 0.00 H ATOM 285 N ARG A 30 2.983 -29.490 -2.164 1.00 6.15 N ATOM 286 CA ARG A 30 1.874 -28.539 -2.220 1.00 6.38 C ATOM 287 C ARG A 30 1.070 -28.560 -0.925 1.00 5.86 C ATOM 288 O ARG A 30 0.638 -27.517 -0.419 1.00 5.80 O ATOM 289 CB ARG A 30 0.939 -28.799 -3.377 1.00 6.04 C ATOM 290 CG ARG A 30 1.599 -28.716 -4.751 1.00 5.82 C ATOM 291 CD ARG A 30 0.642 -28.535 -5.901 1.00 5.57 C ATOM 292 NE ARG A 30 -0.517 -29.434 -5.869 1.00 5.75 N ATOM 293 CZ ARG A 30 -0.539 -30.670 -6.375 1.00 7.34 C ATOM 294 NH1 ARG A 30 0.531 -31.204 -6.935 1.00 8.91 N ATOM 295 NH2 ARG A 30 -1.664 -31.355 -6.315 1.00 9.76 N ATOM 296 HE ARG A 30 -1.386 -29.083 -5.419 1.00 0.00 H ATOM 297 HH12 ARG A 30 0.489 -32.168 -7.322 1.00 0.00 H ATOM 298 HH11 ARG A 30 1.416 -30.660 -6.989 1.00 0.00 H ATOM 299 HH22 ARG A 30 -1.707 -32.319 -6.702 1.00 0.00 H ATOM 300 HH21 ARG A 30 -2.508 -30.931 -5.881 1.00 0.00 H ATOM 301 H ARG A 30 3.040 -30.265 -2.855 1.00 0.00 H ATOM 302 N GLN A 31 0.873 -29.742 -0.388 1.00 6.37 N ATOM 303 CA GLN A 31 0.121 -29.958 0.831 1.00 6.53 C ATOM 304 C GLN A 31 0.780 -29.198 1.994 1.00 6.80 C ATOM 305 O GLN A 31 0.108 -28.443 2.698 1.00 7.29 O ATOM 306 CB GLN A 31 0.019 -31.463 1.155 1.00 6.77 C ATOM 307 CG GLN A 31 -0.903 -31.761 2.334 1.00 7.23 C ATOM 308 CD GLN A 31 -0.763 -33.222 2.717 1.00 10.33 C ATOM 309 OE1 GLN A 31 -0.232 -33.509 3.774 1.00 16.09 O ATOM 310 NE2 GLN A 31 -1.020 -34.144 1.721 1.00 11.13 N ATOM 311 HE22 GLN A 31 -1.477 -33.841 0.837 1.00 0.00 H ATOM 312 HE21 GLN A 31 -0.757 -35.141 1.855 1.00 0.00 H ATOM 313 H GLN A 31 1.281 -30.571 -0.866 1.00 0.00 H ATOM 314 N VAL A 32 2.086 -29.367 2.242 1.00 6.76 N ATOM 315 CA VAL A 32 2.766 -28.644 3.318 1.00 7.24 C ATOM 316 C VAL A 32 2.755 -27.162 3.025 1.00 6.28 C ATOM 317 O VAL A 32 2.490 -26.304 3.902 1.00 6.88 O ATOM 318 CB VAL A 32 4.176 -29.169 3.541 1.00 8.84 C ATOM 319 CG1 VAL A 32 4.877 -28.350 4.605 1.00 9.75 C ATOM 320 CG2 VAL A 32 4.153 -30.673 3.912 1.00 11.30 C ATOM 321 H VAL A 32 2.631 -30.030 1.654 1.00 0.00 H ATOM 322 N ALA A 33 3.064 -26.784 1.770 1.00 6.20 N ATOM 323 CA ALA A 33 3.115 -25.364 1.403 1.00 6.10 C ATOM 324 C ALA A 33 1.784 -24.673 1.639 1.00 5.84 C ATOM 325 O ALA A 33 1.760 -23.467 2.000 1.00 6.73 O ATOM 326 CB ALA A 33 3.530 -25.237 -0.039 1.00 6.21 C ATOM 327 H ALA A 33 3.269 -27.508 1.052 1.00 0.00 H ATOM 328 N SER A 34 0.672 -25.353 1.467 1.00 5.74 N ATOM 329 CA SER A 34 -0.644 -24.758 1.629 1.00 5.91 C ATOM 330 C SER A 34 -0.925 -24.360 3.094 1.00 5.98 C ATOM 331 O SER A 34 -1.859 -23.583 3.323 1.00 6.99 O ATOM 332 CB SER A 34 -1.744 -25.668 1.147 1.00 6.81 C ATOM 333 OG SER A 34 -1.942 -26.755 1.991 1.00 6.70 O ATOM 334 HG SER A 34 -1.108 -27.285 2.045 1.00 0.00 H ATOM 335 H SER A 34 0.737 -26.357 1.204 1.00 0.00 H ATOM 336 N MET A 35 -0.133 -24.880 4.029 1.00 6.16 N ATOM 337 CA MET A 35 -0.337 -24.562 5.464 1.00 6.96 C ATOM 338 C MET A 35 0.836 -23.771 6.019 1.00 6.74 C ATOM 339 O MET A 35 0.895 -23.506 7.207 1.00 10.29 O ATOM 340 CB MET A 35 -0.497 -25.873 6.249 1.00 6.62 C ATOM 341 CG MET A 35 -1.822 -26.544 5.928 1.00 6.38 C ATOM 342 SD MET A 35 -3.298 -25.622 6.371 1.00 6.23 S ATOM 343 CE MET A 35 -3.259 -25.756 8.148 1.00 7.84 C ATOM 344 H MET A 35 0.639 -25.518 3.750 1.00 0.00 H ATOM 345 N THR A 36 1.769 -23.381 5.165 1.00 6.29 N ATOM 346 CA THR A 36 2.947 -22.640 5.593 1.00 6.63 C ATOM 347 C THR A 36 2.691 -21.143 5.443 1.00 6.19 C ATOM 348 O THR A 36 2.115 -20.703 4.437 1.00 7.73 O ATOM 349 CB THR A 36 4.122 -23.117 4.741 1.00 8.00 C ATOM 350 OG1 THR A 36 4.325 -24.549 4.923 1.00 9.19 O ATOM 351 CG2 THR A 36 5.410 -22.417 5.097 1.00 9.39 C ATOM 352 HG1 THR A 36 3.507 -25.035 4.649 1.00 0.00 H ATOM 353 H THR A 36 1.657 -23.611 4.157 1.00 0.00 H ATOM 354 N LYS A 37 3.164 -20.352 6.403 1.00 6.76 N ATOM 355 CA LYS A 37 3.040 -18.893 6.343 1.00 6.91 C ATOM 356 C LYS A 37 4.434 -18.289 6.364 1.00 6.51 C ATOM 357 O LYS A 37 4.999 -18.087 7.434 1.00 9.61 O ATOM 358 CB LYS A 37 2.198 -18.357 7.499 1.00 9.09 C ATOM 359 CG LYS A 37 0.775 -18.874 7.425 1.00 8.81 C ATOM 360 CD LYS A 37 -0.065 -18.237 8.527 1.00 9.95 C ATOM 361 CE LYS A 37 -1.476 -18.869 8.557 1.00 10.28 C ATOM 362 NZ LYS A 37 -2.289 -18.272 9.561 1.00 8.98 N ATOM 363 HZ1 LYS A 37 -1.845 -18.409 10.491 1.00 0.00 H ATOM 364 HZ2 LYS A 37 -2.386 -17.255 9.368 1.00 0.00 H ATOM 365 HZ3 LYS A 37 -3.228 -18.718 9.555 1.00 0.00 H ATOM 366 H LYS A 37 3.637 -20.783 7.223 1.00 0.00 H ATOM 367 N PRO A 38 4.996 -17.976 5.225 1.00 5.49 N ATOM 368 CA PRO A 38 6.353 -17.443 5.223 1.00 5.41 C ATOM 369 C PRO A 38 6.420 -16.014 5.755 1.00 5.13 C ATOM 370 O PRO A 38 5.455 -15.254 5.771 1.00 5.86 O ATOM 371 CB PRO A 38 6.746 -17.464 3.731 1.00 5.95 C ATOM 372 CG PRO A 38 5.812 -18.479 3.089 1.00 6.92 C ATOM 373 CD PRO A 38 4.523 -18.240 3.852 1.00 6.36 C ATOM 374 N THR A 39 7.667 -15.689 6.116 1.00 4.98 N ATOM 375 CA THR A 39 8.101 -14.321 6.370 1.00 5.33 C ATOM 376 C THR A 39 9.010 -13.915 5.228 1.00 5.05 C ATOM 377 O THR A 39 9.980 -14.626 4.933 1.00 6.44 O ATOM 378 CB THR A 39 8.850 -14.261 7.705 1.00 6.90 C ATOM 379 OG1 THR A 39 7.936 -14.584 8.756 1.00 8.16 O ATOM 380 CG2 THR A 39 9.379 -12.870 7.974 1.00 7.88 C ATOM 381 HG1 THR A 39 7.577 -15.495 8.611 1.00 0.00 H ATOM 382 H THR A 39 8.364 -16.454 6.221 1.00 0.00 H ATOM 383 N THR A 40 8.727 -12.772 4.600 1.00 4.78 N ATOM 384 CA THR A 40 9.573 -12.242 3.550 1.00 5.06 C ATOM 385 C THR A 40 10.266 -10.990 4.066 1.00 4.60 C ATOM 386 O THR A 40 9.615 -10.097 4.610 1.00 5.87 O ATOM 387 CB THR A 40 8.727 -11.934 2.303 1.00 6.40 C ATOM 388 OG1 THR A 40 8.074 -13.104 1.850 1.00 9.22 O ATOM 389 CG2 THR A 40 9.559 -11.312 1.201 1.00 6.70 C ATOM 390 HG1 THR A 40 7.534 -12.890 1.048 1.00 0.00 H ATOM 391 H THR A 40 7.873 -12.245 4.873 1.00 0.00 H ATOM 392 N ILE A 41 11.584 -10.953 3.901 1.00 4.71 N ATOM 393 CA ILE A 41 12.387 -9.809 4.357 1.00 4.93 C ATOM 394 C ILE A 41 13.045 -9.226 3.111 1.00 4.96 C ATOM 395 O ILE A 41 13.729 -9.920 2.375 1.00 5.99 O ATOM 396 CB ILE A 41 13.461 -10.249 5.365 1.00 6.28 C ATOM 397 CG1 ILE A 41 12.836 -10.990 6.536 1.00 8.79 C ATOM 398 CG2 ILE A 41 14.245 -9.054 5.860 1.00 8.98 C ATOM 399 CD1 ILE A 41 13.897 -11.762 7.344 1.00 13.45 C ATOM 400 H ILE A 41 12.060 -11.753 3.438 1.00 0.00 H ATOM 401 N ILE A 42 12.804 -7.927 2.892 1.00 5.12 N ATOM 402 CA ILE A 42 13.359 -7.232 1.731 1.00 5.35 C ATOM 403 C ILE A 42 14.259 -6.138 2.280 1.00 5.15 C ATOM 404 O ILE A 42 13.807 -5.275 3.055 1.00 5.52 O ATOM 405 CB ILE A 42 12.272 -6.680 0.801 1.00 6.25 C ATOM 406 CG1 ILE A 42 11.222 -7.760 0.492 1.00 7.43 C ATOM 407 CG2 ILE A 42 12.906 -6.145 -0.446 1.00 9.15 C ATOM 408 CD1 ILE A 42 10.091 -7.297 -0.427 1.00 8.45 C ATOM 409 H ILE A 42 12.209 -7.400 3.563 1.00 0.00 H ATOM 410 N GLU A 43 15.536 -6.179 1.911 1.00 5.57 N ATOM 411 CA GLU A 43 16.510 -5.187 2.357 1.00 6.03 C ATOM 412 C GLU A 43 17.268 -4.666 1.166 1.00 5.18 C ATOM 413 O GLU A 43 17.372 -5.317 0.126 1.00 6.74 O ATOM 414 CB GLU A 43 17.462 -5.818 3.389 1.00 11.16 C ATOM 415 CG GLU A 43 16.837 -6.170 4.731 1.00 12.56 C ATOM 416 CD GLU A 43 17.623 -6.890 5.697 1.00 14.31 C ATOM 417 OE1 GLU A 43 17.852 -8.031 5.443 1.00 16.64 O ATOM 418 OE2 GLU A 43 17.961 -6.258 6.705 1.00 27.25 O ATOM 419 H GLU A 43 15.852 -6.945 1.282 1.00 0.00 H ATOM 420 N LYS A 44 17.829 -3.479 1.340 1.00 5.49 N ATOM 421 CA LYS A 44 18.643 -2.882 0.308 1.00 6.40 C ATOM 422 C LYS A 44 19.943 -2.403 0.888 1.00 5.64 C ATOM 423 O LYS A 44 20.001 -1.937 2.029 1.00 6.52 O ATOM 424 CB LYS A 44 18.064 -1.729 -0.463 1.00 11.25 C ATOM 425 CG LYS A 44 18.121 -0.402 0.098 1.00 11.08 C ATOM 426 CD LYS A 44 17.442 0.679 -0.755 1.00 14.14 C ATOM 427 CE LYS A 44 17.530 2.010 0.017 1.00 19.15 C ATOM 428 NZ LYS A 44 17.139 3.150 -0.754 1.00 18.03 N ATOM 429 HZ1 LYS A 44 17.757 3.233 -1.586 1.00 0.00 H ATOM 430 HZ2 LYS A 44 16.153 3.036 -1.064 1.00 0.00 H ATOM 431 HZ3 LYS A 44 17.224 4.007 -0.171 1.00 0.00 H ATOM 432 H LYS A 44 17.681 -2.969 2.234 1.00 0.00 H ATOM 433 N ASN A 45 20.995 -2.457 0.059 1.00 6.39 N ATOM 434 CA ASN A 45 22.302 -1.865 0.376 1.00 7.19 C ATOM 435 C ASN A 45 22.784 -1.248 -0.927 1.00 8.11 C ATOM 436 O ASN A 45 23.161 -1.959 -1.856 1.00 8.42 O ATOM 437 CB ASN A 45 23.254 -2.927 0.871 1.00 8.06 C ATOM 438 CG ASN A 45 24.648 -2.443 1.330 1.00 8.36 C ATOM 439 OD1 ASN A 45 25.388 -3.230 1.982 1.00 9.59 O ATOM 440 ND2 ASN A 45 24.951 -1.243 0.997 1.00 9.94 N ATOM 441 HD22 ASN A 45 24.274 -0.667 0.457 1.00 0.00 H ATOM 442 HD21 ASN A 45 25.874 -0.846 1.267 1.00 0.00 H ATOM 443 H ASN A 45 20.880 -2.942 -0.854 1.00 0.00 H ATOM 444 N GLY A 46 22.638 0.072 -0.992 1.00 9.46 N ATOM 445 CA GLY A 46 22.905 0.686 -2.269 1.00 10.81 C ATOM 446 C GLY A 46 21.961 0.179 -3.298 1.00 11.53 C ATOM 447 O GLY A 46 20.776 -0.014 -3.121 1.00 13.20 O ATOM 448 H GLY A 46 22.347 0.632 -0.165 1.00 0.00 H ATOM 449 N ASP A 47 22.257 -0.158 -4.546 1.00 16.73 N ATOM 450 CA ASP A 47 21.125 -0.590 -5.426 1.00 17.29 C ATOM 451 C ASP A 47 21.155 -2.177 -5.429 1.00 14.11 C ATOM 452 O ASP A 47 20.535 -2.788 -6.392 1.00 12.01 O ATOM 453 CB ASP A 47 21.191 -0.005 -6.863 1.00 17.32 C ATOM 454 CG ASP A 47 22.376 -0.383 -7.541 1.00 14.96 C ATOM 455 OD1 ASP A 47 23.301 -0.875 -6.798 1.00 16.56 O ATOM 456 OD2 ASP A 47 22.572 -0.067 -8.773 1.00 15.85 O ATOM 457 H ASP A 47 23.235 -0.124 -4.899 1.00 0.00 H ATOM 458 N ILE A 48 21.776 -2.872 -4.417 1.00 9.18 N ATOM 459 CA ILE A 48 21.584 -4.310 -4.310 1.00 7.02 C ATOM 460 C ILE A 48 20.440 -4.609 -3.327 1.00 5.75 C ATOM 461 O ILE A 48 20.474 -4.188 -2.173 1.00 5.94 O ATOM 462 CB ILE A 48 22.839 -4.948 -3.835 1.00 7.12 C ATOM 463 CG1 ILE A 48 23.992 -4.607 -4.779 1.00 9.25 C ATOM 464 CG2 ILE A 48 22.635 -6.487 -3.734 1.00 6.60 C ATOM 465 CD1 ILE A 48 23.793 -4.891 -6.216 1.00 11.34 C ATOM 466 H ILE A 48 22.379 -2.372 -3.733 1.00 0.00 H ATOM 467 N LEU A 49 19.409 -5.292 -3.790 1.00 5.32 N ATOM 468 CA LEU A 49 18.350 -5.776 -2.913 1.00 5.20 C ATOM 469 C LEU A 49 18.699 -7.229 -2.544 1.00 3.93 C ATOM 470 O LEU A 49 19.325 -7.974 -3.299 1.00 4.14 O ATOM 471 CB LEU A 49 16.961 -5.802 -3.536 1.00 5.88 C ATOM 472 CG LEU A 49 16.194 -4.460 -3.620 1.00 10.30 C ATOM 473 CD1 LEU A 49 16.938 -3.458 -4.503 1.00 16.42 C ATOM 474 CD2 LEU A 49 14.784 -4.551 -4.046 1.00 8.79 C ATOM 475 H LEU A 49 19.351 -5.490 -4.809 1.00 0.00 H ATOM 476 N THR A 50 18.242 -7.603 -1.360 1.00 4.25 N ATOM 477 CA THR A 50 18.233 -8.973 -0.890 1.00 4.39 C ATOM 478 C THR A 50 16.834 -9.307 -0.415 1.00 4.56 C ATOM 479 O THR A 50 16.251 -8.556 0.376 1.00 6.53 O ATOM 480 CB THR A 50 19.277 -9.181 0.211 1.00 4.88 C ATOM 481 OG1 THR A 50 20.582 -8.901 -0.316 1.00 5.27 O ATOM 482 CG2 THR A 50 19.254 -10.603 0.739 1.00 5.97 C ATOM 483 HG1 THR A 50 20.770 -9.512 -1.072 1.00 0.00 H ATOM 484 H THR A 50 17.866 -6.868 -0.728 1.00 0.00 H ATOM 485 N LEU A 51 16.304 -10.408 -0.916 1.00 4.16 N ATOM 486 CA LEU A 51 14.946 -10.849 -0.613 1.00 4.03 C ATOM 487 C LEU A 51 15.050 -12.244 -0.026 1.00 4.00 C ATOM 488 O LEU A 51 15.437 -13.197 -0.696 1.00 4.06 O ATOM 489 CB LEU A 51 14.073 -10.767 -1.872 1.00 4.74 C ATOM 490 CG LEU A 51 12.563 -10.927 -1.629 1.00 5.71 C ATOM 491 CD1 LEU A 51 11.780 -10.260 -2.742 1.00 8.14 C ATOM 492 CD2 LEU A 51 12.161 -12.377 -1.520 1.00 5.80 C ATOM 493 H LEU A 51 16.882 -10.988 -1.557 1.00 0.00 H ATOM 494 N LYS A 52 14.708 -12.334 1.264 1.00 4.02 N ATOM 495 CA LYS A 52 14.717 -13.578 2.001 1.00 4.19 C ATOM 496 C LYS A 52 13.276 -14.059 2.166 1.00 4.12 C ATOM 497 O LYS A 52 12.394 -13.246 2.461 1.00 4.86 O ATOM 498 CB LYS A 52 15.292 -13.375 3.424 1.00 4.80 C ATOM 499 CG LYS A 52 16.715 -12.866 3.463 1.00 5.23 C ATOM 500 CD LYS A 52 17.156 -12.607 4.911 1.00 6.61 C ATOM 501 CE LYS A 52 18.609 -12.169 4.976 1.00 6.89 C ATOM 502 NZ LYS A 52 19.047 -12.082 6.432 1.00 9.19 N ATOM 503 HZ1 LYS A 52 18.452 -11.390 6.931 1.00 0.00 H ATOM 504 HZ2 LYS A 52 18.945 -13.015 6.880 1.00 0.00 H ATOM 505 HZ3 LYS A 52 20.042 -11.782 6.476 1.00 0.00 H ATOM 506 H LYS A 52 14.422 -11.467 1.761 1.00 0.00 H ATOM 507 N THR A 53 13.064 -15.359 2.007 1.00 4.24 N ATOM 508 CA THR A 53 11.758 -15.953 2.312 1.00 4.58 C ATOM 509 C THR A 53 12.016 -17.087 3.279 1.00 4.75 C ATOM 510 O THR A 53 12.747 -18.031 2.967 1.00 5.47 O ATOM 511 CB THR A 53 11.059 -16.453 1.015 1.00 5.38 C ATOM 512 OG1 THR A 53 11.057 -15.420 0.012 1.00 5.80 O ATOM 513 CG2 THR A 53 9.622 -16.824 1.290 1.00 6.82 C ATOM 514 HG1 THR A 53 10.609 -15.755 -0.805 1.00 0.00 H ATOM 515 H THR A 53 13.835 -15.966 1.661 1.00 0.00 H ATOM 516 N HIS A 54 11.473 -16.962 4.497 1.00 4.97 N ATOM 517 CA HIS A 54 11.733 -17.888 5.585 1.00 5.22 C ATOM 518 C HIS A 54 10.456 -18.581 5.973 1.00 5.12 C ATOM 519 O HIS A 54 9.379 -17.985 6.024 1.00 5.74 O ATOM 520 CB HIS A 54 12.256 -17.124 6.794 1.00 5.87 C ATOM 521 CG HIS A 54 13.618 -16.557 6.606 1.00 5.84 C ATOM 522 ND1 HIS A 54 14.157 -15.659 7.494 1.00 7.42 N ATOM 523 CD2 HIS A 54 14.533 -16.797 5.632 1.00 6.54 C ATOM 524 CE1 HIS A 54 15.358 -15.356 7.061 1.00 6.94 C ATOM 525 NE2 HIS A 54 15.646 -16.040 5.942 1.00 8.05 N ATOM 526 H HIS A 54 10.833 -16.161 4.672 1.00 0.00 H ATOM 527 N SER A 55 10.567 -19.885 6.283 1.00 5.46 N ATOM 528 CA SER A 55 9.389 -20.593 6.770 1.00 5.99 C ATOM 529 C SER A 55 9.823 -21.858 7.494 1.00 5.97 C ATOM 530 O SER A 55 10.991 -22.219 7.528 1.00 6.83 O ATOM 531 CB SER A 55 8.446 -20.973 5.621 1.00 6.08 C ATOM 532 OG SER A 55 8.901 -22.100 4.894 1.00 6.31 O ATOM 533 HG SER A 55 9.790 -21.904 4.506 1.00 0.00 H ATOM 534 H SER A 55 11.476 -20.379 6.177 1.00 0.00 H ATOM 535 N THR A 56 8.819 -22.545 8.049 1.00 7.09 N ATOM 536 CA THR A 56 9.049 -23.855 8.643 1.00 7.90 C ATOM 537 C THR A 56 9.286 -24.959 7.659 1.00 8.32 C ATOM 538 O THR A 56 9.592 -26.070 8.075 1.00 11.44 O ATOM 539 CB THR A 56 7.826 -24.209 9.542 1.00 9.54 C ATOM 540 OG1 THR A 56 6.641 -24.053 8.752 1.00 11.08 O ATOM 541 CG2 THR A 56 7.750 -23.356 10.755 1.00 11.21 C ATOM 542 HG1 THR A 56 6.683 -24.662 7.973 1.00 0.00 H ATOM 543 H THR A 56 7.862 -22.139 8.057 1.00 0.00 H ATOM 544 N PHE A 57 9.127 -24.702 6.363 1.00 7.40 N ATOM 545 CA PHE A 57 9.257 -25.720 5.344 1.00 7.27 C ATOM 546 C PHE A 57 10.476 -25.497 4.494 1.00 7.68 C ATOM 547 O PHE A 57 11.385 -26.285 4.510 1.00 12.87 O ATOM 548 CB PHE A 57 7.954 -25.784 4.537 1.00 7.76 C ATOM 549 CG PHE A 57 7.908 -26.810 3.458 1.00 7.90 C ATOM 550 CD1 PHE A 57 8.628 -27.992 3.495 1.00 10.06 C ATOM 551 CD2 PHE A 57 7.035 -26.637 2.373 1.00 8.59 C ATOM 552 CE1 PHE A 57 8.524 -28.958 2.515 1.00 11.01 C ATOM 553 CE2 PHE A 57 6.929 -27.588 1.386 1.00 9.81 C ATOM 554 CZ PHE A 57 7.667 -28.728 1.441 1.00 10.28 C ATOM 555 H PHE A 57 8.900 -23.730 6.071 1.00 0.00 H ATOM 556 N LYS A 58 10.475 -24.455 3.670 1.00 6.75 N ATOM 557 CA LYS A 58 11.584 -24.070 2.801 1.00 7.39 C ATOM 558 C LYS A 58 12.033 -22.637 3.153 1.00 6.09 C ATOM 559 O LYS A 58 11.238 -21.820 3.615 1.00 4.75 O ATOM 560 CB LYS A 58 11.132 -24.116 1.320 1.00 9.40 C ATOM 561 CG LYS A 58 10.608 -25.417 0.752 1.00 12.41 C ATOM 562 CD LYS A 58 11.652 -26.360 0.438 1.00 13.75 C ATOM 563 CE LYS A 58 11.330 -27.663 -0.232 1.00 21.44 C ATOM 564 NZ LYS A 58 12.614 -28.456 -0.360 1.00 24.06 N ATOM 565 HZ1 LYS A 58 13.297 -27.918 -0.931 1.00 0.00 H ATOM 566 HZ2 LYS A 58 13.010 -28.627 0.586 1.00 0.00 H ATOM 567 HZ3 LYS A 58 12.414 -29.365 -0.823 1.00 0.00 H ATOM 568 H LYS A 58 9.617 -23.867 3.641 1.00 0.00 H ATOM 569 N ASN A 59 13.335 -22.356 2.960 1.00 6.27 N ATOM 570 CA ASN A 59 13.872 -20.997 2.994 1.00 5.55 C ATOM 571 C ASN A 59 14.562 -20.719 1.655 1.00 4.40 C ATOM 572 O ASN A 59 15.197 -21.614 1.102 1.00 4.55 O ATOM 573 CB ASN A 59 14.936 -20.882 4.100 1.00 5.98 C ATOM 574 CG ASN A 59 14.412 -21.147 5.487 1.00 7.63 C ATOM 575 OD1 ASN A 59 13.433 -20.569 5.918 1.00 5.40 O ATOM 576 ND2 ASN A 59 15.042 -22.106 6.172 1.00 11.68 N ATOM 577 HD22 ASN A 59 15.876 -22.574 5.764 1.00 0.00 H ATOM 578 HD21 ASN A 59 14.698 -22.384 7.113 1.00 0.00 H ATOM 579 H ASN A 59 13.990 -23.143 2.778 1.00 0.00 H ATOM 580 N THR A 60 14.509 -19.464 1.225 1.00 4.16 N ATOM 581 CA THR A 60 15.266 -19.007 0.083 1.00 4.09 C ATOM 582 C THR A 60 15.854 -17.625 0.377 1.00 3.89 C ATOM 583 O THR A 60 15.379 -16.880 1.232 1.00 4.20 O ATOM 584 CB THR A 60 14.408 -18.920 -1.207 1.00 4.18 C ATOM 585 OG1 THR A 60 13.276 -18.075 -0.980 1.00 4.41 O ATOM 586 CG2 THR A 60 13.902 -20.269 -1.644 1.00 5.03 C ATOM 587 HG1 THR A 60 13.587 -17.169 -0.731 1.00 0.00 H ATOM 588 H THR A 60 13.901 -18.786 1.728 1.00 0.00 H ATOM 589 N GLU A 61 16.891 -17.277 -0.400 1.00 3.73 N ATOM 590 CA GLU A 61 17.424 -15.927 -0.393 1.00 3.62 C ATOM 591 C GLU A 61 17.991 -15.642 -1.774 1.00 3.78 C ATOM 592 O GLU A 61 18.718 -16.470 -2.333 1.00 4.47 O ATOM 593 CB GLU A 61 18.524 -15.773 0.675 1.00 3.84 C ATOM 594 CG GLU A 61 19.109 -14.357 0.679 1.00 4.12 C ATOM 595 CD GLU A 61 20.119 -14.122 1.792 1.00 3.81 C ATOM 596 OE1 GLU A 61 19.841 -14.548 2.937 1.00 4.24 O ATOM 597 OE2 GLU A 61 21.176 -13.517 1.517 1.00 4.15 O ATOM 598 H GLU A 61 17.323 -17.991 -1.021 1.00 0.00 H ATOM 599 N ILE A 62 17.677 -14.455 -2.285 1.00 3.81 N ATOM 600 CA ILE A 62 18.263 -13.950 -3.518 1.00 3.84 C ATOM 601 C ILE A 62 18.791 -12.545 -3.290 1.00 3.91 C ATOM 602 O ILE A 62 18.238 -11.780 -2.510 1.00 4.60 O ATOM 603 CB ILE A 62 17.247 -13.972 -4.700 1.00 4.08 C ATOM 604 CG1 ILE A 62 16.019 -13.077 -4.420 1.00 4.21 C ATOM 605 CG2 ILE A 62 16.834 -15.419 -4.976 1.00 4.87 C ATOM 606 CD1 ILE A 62 15.061 -12.992 -5.600 1.00 4.98 C ATOM 607 H ILE A 62 16.984 -13.863 -1.783 1.00 0.00 H ATOM 608 N SER A 63 19.878 -12.209 -3.999 1.00 4.12 N ATOM 609 CA SER A 63 20.360 -10.849 -4.079 1.00 4.21 C ATOM 610 C SER A 63 20.482 -10.450 -5.550 1.00 4.32 C ATOM 611 O SER A 63 20.859 -11.285 -6.391 1.00 5.28 O ATOM 612 CB SER A 63 21.729 -10.639 -3.428 1.00 5.17 C ATOM 613 OG SER A 63 21.653 -10.821 -2.012 1.00 6.21 O ATOM 614 HG SER A 63 21.015 -10.168 -1.630 1.00 0.00 H ATOM 615 H SER A 63 20.393 -12.954 -4.510 1.00 0.00 H ATOM 616 N PHE A 64 20.136 -9.204 -5.852 1.00 4.51 N ATOM 617 CA PHE A 64 20.109 -8.759 -7.229 1.00 4.70 C ATOM 618 C PHE A 64 20.202 -7.257 -7.277 1.00 5.04 C ATOM 619 O PHE A 64 19.844 -6.554 -6.343 1.00 5.35 O ATOM 620 CB PHE A 64 18.827 -9.241 -7.948 1.00 4.94 C ATOM 621 CG PHE A 64 17.557 -8.863 -7.236 1.00 4.72 C ATOM 622 CD1 PHE A 64 16.938 -7.644 -7.486 1.00 5.02 C ATOM 623 CD2 PHE A 64 17.003 -9.689 -6.275 1.00 5.13 C ATOM 624 CE1 PHE A 64 15.790 -7.282 -6.822 1.00 5.51 C ATOM 625 CE2 PHE A 64 15.848 -9.329 -5.601 1.00 5.67 C ATOM 626 CZ PHE A 64 15.244 -8.114 -5.862 1.00 5.51 C ATOM 627 H PHE A 64 19.882 -8.541 -5.092 1.00 0.00 H ATOM 628 N LYS A 65 20.654 -6.793 -8.438 1.00 6.06 N ATOM 629 CA LYS A 65 20.559 -5.379 -8.825 1.00 7.51 C ATOM 630 C LYS A 65 19.316 -5.200 -9.651 1.00 6.59 C ATOM 631 O LYS A 65 19.087 -6.010 -10.550 1.00 5.45 O ATOM 632 CB LYS A 65 21.867 -5.073 -9.554 1.00 9.27 C ATOM 633 CG LYS A 65 22.010 -3.619 -9.839 1.00 9.62 C ATOM 634 CD LYS A 65 23.410 -3.286 -10.306 1.00 15.31 C ATOM 635 CE LYS A 65 24.562 -3.212 -9.274 1.00 14.27 C ATOM 636 NZ LYS A 65 25.879 -2.782 -9.760 1.00 13.87 N ATOM 637 HZ1 LYS A 65 26.208 -3.441 -10.494 1.00 0.00 H ATOM 638 HZ2 LYS A 65 25.804 -1.825 -10.159 1.00 0.00 H ATOM 639 HZ3 LYS A 65 26.554 -2.777 -8.969 1.00 0.00 H ATOM 640 H LYS A 65 21.095 -7.461 -9.102 1.00 0.00 H ATOM 641 N LEU A 66 18.445 -4.161 -9.444 1.00 8.59 N ATOM 642 CA LEU A 66 17.304 -3.934 -10.327 1.00 8.73 C ATOM 643 C LEU A 66 17.792 -3.834 -11.744 1.00 7.53 C ATOM 644 O LEU A 66 18.813 -3.148 -12.037 1.00 7.76 O ATOM 645 CB LEU A 66 16.502 -2.705 -9.941 1.00 12.09 C ATOM 646 CG LEU A 66 15.759 -2.780 -8.629 1.00 12.58 C ATOM 647 CD1 LEU A 66 15.182 -1.402 -8.326 1.00 22.28 C ATOM 648 CD2 LEU A 66 14.663 -3.799 -8.634 1.00 11.50 C ATOM 649 H LEU A 66 18.601 -3.520 -8.640 1.00 0.00 H ATOM 650 N GLY A 67 17.085 -4.512 -12.642 1.00 7.69 N ATOM 651 CA GLY A 67 17.347 -4.385 -14.034 1.00 7.94 C ATOM 652 C GLY A 67 18.539 -5.139 -14.539 1.00 6.75 C ATOM 653 O GLY A 67 18.880 -4.942 -15.712 1.00 9.05 O ATOM 654 H GLY A 67 16.326 -5.147 -12.321 1.00 0.00 H ATOM 655 N VAL A 68 19.137 -6.017 -13.723 1.00 5.49 N ATOM 656 CA VAL A 68 20.287 -6.805 -14.137 1.00 5.42 C ATOM 657 C VAL A 68 19.962 -8.286 -13.934 1.00 4.63 C ATOM 658 O VAL A 68 19.605 -8.706 -12.808 1.00 4.54 O ATOM 659 CB VAL A 68 21.563 -6.427 -13.364 1.00 6.25 C ATOM 660 CG1 VAL A 68 22.720 -7.269 -13.804 1.00 8.18 C ATOM 661 CG2 VAL A 68 21.868 -4.939 -13.572 1.00 8.10 C ATOM 662 H VAL A 68 18.766 -6.139 -12.759 1.00 0.00 H ATOM 663 N GLU A 69 20.072 -9.073 -14.973 1.00 4.70 N ATOM 664 CA GLU A 69 19.725 -10.500 -14.884 1.00 4.30 C ATOM 665 C GLU A 69 20.621 -11.205 -13.874 1.00 4.12 C ATOM 666 O GLU A 69 21.826 -10.887 -13.724 1.00 4.55 O ATOM 667 CB GLU A 69 19.855 -11.103 -16.290 1.00 4.81 C ATOM 668 CG GLU A 69 19.391 -12.547 -16.401 1.00 5.39 C ATOM 669 CD GLU A 69 19.450 -13.032 -17.850 1.00 5.99 C ATOM 670 OE1 GLU A 69 20.563 -13.203 -18.358 1.00 7.65 O ATOM 671 OE2 GLU A 69 18.369 -13.200 -18.445 1.00 8.93 O ATOM 672 H GLU A 69 20.410 -8.684 -15.876 1.00 0.00 H ATOM 673 N PHE A 70 20.067 -12.223 -13.217 1.00 4.02 N ATOM 674 CA PHE A 70 20.780 -13.038 -12.263 1.00 3.85 C ATOM 675 C PHE A 70 20.295 -14.479 -12.380 1.00 3.71 C ATOM 676 O PHE A 70 19.151 -14.738 -12.703 1.00 4.56 O ATOM 677 CB PHE A 70 20.649 -12.517 -10.805 1.00 4.19 C ATOM 678 CG PHE A 70 19.233 -12.433 -10.280 1.00 3.80 C ATOM 679 CD1 PHE A 70 18.407 -11.385 -10.661 1.00 3.90 C ATOM 680 CD2 PHE A 70 18.755 -13.367 -9.360 1.00 4.33 C ATOM 681 CE1 PHE A 70 17.122 -11.283 -10.136 1.00 4.14 C ATOM 682 CE2 PHE A 70 17.477 -13.255 -8.839 1.00 4.44 C ATOM 683 CZ PHE A 70 16.661 -12.202 -9.215 1.00 4.08 C ATOM 684 H PHE A 70 19.067 -12.442 -13.401 1.00 0.00 H ATOM 685 N ASP A 71 21.215 -15.390 -12.026 1.00 4.07 N ATOM 686 CA ASP A 71 20.785 -16.772 -11.916 1.00 4.24 C ATOM 687 C ASP A 71 20.072 -16.991 -10.585 1.00 3.62 C ATOM 688 O ASP A 71 20.440 -16.347 -9.588 1.00 3.88 O ATOM 689 CB ASP A 71 22.020 -17.678 -12.018 1.00 4.91 C ATOM 690 CG ASP A 71 22.573 -17.675 -13.456 1.00 5.03 C ATOM 691 OD1 ASP A 71 21.870 -18.083 -14.341 1.00 8.06 O ATOM 692 OD2 ASP A 71 23.727 -17.401 -13.661 1.00 7.40 O ATOM 693 H ASP A 71 22.200 -15.116 -11.837 1.00 0.00 H ATOM 694 N GLU A 72 19.083 -17.907 -10.581 1.00 4.22 N ATOM 695 CA GLU A 72 18.317 -18.194 -9.378 1.00 4.20 C ATOM 696 C GLU A 72 17.953 -19.669 -9.378 1.00 4.19 C ATOM 697 O GLU A 72 17.673 -20.253 -10.428 1.00 5.19 O ATOM 698 CB GLU A 72 17.058 -17.305 -9.352 1.00 4.28 C ATOM 699 CG GLU A 72 16.102 -17.569 -8.205 1.00 3.94 C ATOM 700 CD GLU A 72 14.844 -16.687 -8.255 1.00 3.81 C ATOM 701 OE1 GLU A 72 14.612 -16.001 -9.264 1.00 4.81 O ATOM 702 OE2 GLU A 72 14.075 -16.736 -7.276 1.00 4.78 O ATOM 703 H GLU A 72 18.863 -18.420 -11.458 1.00 0.00 H ATOM 704 N THR A 73 17.936 -20.250 -8.187 1.00 4.32 N ATOM 705 CA THR A 73 17.424 -21.607 -7.972 1.00 4.73 C ATOM 706 C THR A 73 16.246 -21.477 -7.024 1.00 4.30 C ATOM 707 O THR A 73 16.408 -21.079 -5.880 1.00 5.19 O ATOM 708 CB THR A 73 18.481 -22.544 -7.446 1.00 6.51 C ATOM 709 OG1 THR A 73 19.556 -22.547 -8.396 1.00 8.09 O ATOM 710 CG2 THR A 73 17.915 -23.963 -7.291 1.00 8.01 C ATOM 711 HG1 THR A 73 19.917 -21.630 -8.487 1.00 0.00 H ATOM 712 H THR A 73 18.302 -19.721 -7.370 1.00 0.00 H ATOM 713 N THR A 74 15.040 -21.762 -7.515 1.00 4.39 N ATOM 714 CA THR A 74 13.831 -21.454 -6.790 1.00 4.43 C ATOM 715 C THR A 74 13.562 -22.455 -5.669 1.00 4.63 C ATOM 716 O THR A 74 14.212 -23.496 -5.545 1.00 5.55 O ATOM 717 CB THR A 74 12.649 -21.401 -7.772 1.00 4.27 C ATOM 718 OG1 THR A 74 12.453 -22.720 -8.283 1.00 4.81 O ATOM 719 CG2 THR A 74 12.886 -20.417 -8.879 1.00 4.81 C ATOM 720 HG1 THR A 74 12.253 -23.336 -7.534 1.00 0.00 H ATOM 721 H THR A 74 14.968 -22.219 -8.446 1.00 0.00 H ATOM 722 N ALA A 75 12.525 -22.163 -4.860 1.00 4.76 N ATOM 723 CA ALA A 75 12.199 -23.018 -3.736 1.00 5.41 C ATOM 724 C ALA A 75 11.820 -24.426 -4.170 1.00 6.05 C ATOM 725 O ALA A 75 11.999 -25.381 -3.403 1.00 8.48 O ATOM 726 CB ALA A 75 11.057 -22.397 -2.939 1.00 5.69 C ATOM 727 H ALA A 75 11.952 -21.315 -5.044 1.00 0.00 H ATOM 728 N ASP A 76 11.252 -24.549 -5.388 1.00 5.52 N ATOM 729 CA ASP A 76 10.900 -25.807 -5.990 1.00 6.01 C ATOM 730 C ASP A 76 11.989 -26.341 -6.917 1.00 6.45 C ATOM 731 O ASP A 76 11.735 -27.249 -7.748 1.00 8.13 O ATOM 732 CB ASP A 76 9.547 -25.739 -6.715 1.00 6.10 C ATOM 733 CG ASP A 76 9.500 -24.698 -7.822 1.00 5.40 C ATOM 734 OD1 ASP A 76 9.997 -23.555 -7.577 1.00 5.31 O ATOM 735 OD2 ASP A 76 8.955 -24.987 -8.908 1.00 6.31 O ATOM 736 H ASP A 76 11.057 -23.680 -5.925 1.00 0.00 H ATOM 737 N ASP A 77 13.206 -25.812 -6.811 1.00 6.29 N ATOM 738 CA ASP A 77 14.399 -26.355 -7.461 1.00 6.91 C ATOM 739 C ASP A 77 14.467 -26.129 -8.954 1.00 6.96 C ATOM 740 O ASP A 77 15.204 -26.820 -9.652 1.00 11.23 O ATOM 741 CB ASP A 77 14.661 -27.825 -7.081 1.00 9.53 C ATOM 742 CG ASP A 77 14.633 -28.043 -5.673 1.00 19.75 C ATOM 743 OD1 ASP A 77 15.330 -27.334 -4.965 1.00 28.68 O ATOM 744 OD2 ASP A 77 13.867 -28.929 -5.167 1.00 25.90 O ATOM 745 H ASP A 77 13.316 -24.957 -6.228 1.00 0.00 H ATOM 746 N ARG A 78 13.767 -25.118 -9.488 1.00 5.70 N ATOM 747 CA ARG A 78 13.982 -24.716 -10.852 1.00 5.55 C ATOM 748 C ARG A 78 15.230 -23.821 -10.945 1.00 5.29 C ATOM 749 O ARG A 78 15.398 -22.911 -10.135 1.00 6.59 O ATOM 750 CB ARG A 78 12.792 -23.924 -11.422 1.00 5.39 C ATOM 751 CG ARG A 78 11.553 -24.794 -11.655 1.00 5.81 C ATOM 752 CD ARG A 78 10.355 -23.904 -12.062 1.00 5.86 C ATOM 753 NE ARG A 78 9.819 -23.210 -10.898 1.00 5.25 N ATOM 754 CZ ARG A 78 9.765 -21.901 -10.688 1.00 4.82 C ATOM 755 NH1 ARG A 78 10.014 -21.013 -11.659 1.00 5.48 N ATOM 756 NH2 ARG A 78 9.458 -21.475 -9.467 1.00 5.26 N ATOM 757 HE ARG A 78 9.433 -23.812 -10.143 1.00 0.00 H ATOM 758 HH12 ARG A 78 9.962 -19.994 -11.458 1.00 0.00 H ATOM 759 HH11 ARG A 78 10.259 -21.342 -12.615 1.00 0.00 H ATOM 760 HH22 ARG A 78 9.407 -20.455 -9.269 1.00 0.00 H ATOM 761 HH21 ARG A 78 9.268 -22.161 -8.709 1.00 0.00 H ATOM 762 H ARG A 78 13.061 -24.619 -8.910 1.00 0.00 H ATOM 763 N LYS A 79 16.046 -24.054 -11.952 1.00 6.05 N ATOM 764 CA LYS A 79 17.209 -23.187 -12.233 1.00 5.88 C ATOM 765 C LYS A 79 16.786 -22.248 -13.341 1.00 5.81 C ATOM 766 O LYS A 79 16.511 -22.665 -14.485 1.00 7.60 O ATOM 767 CB LYS A 79 18.422 -24.017 -12.624 1.00 7.78 C ATOM 768 CG LYS A 79 18.919 -24.858 -11.458 1.00 9.12 C ATOM 769 CD LYS A 79 20.119 -25.677 -11.739 1.00 13.31 C ATOM 770 CE LYS A 79 20.524 -26.493 -10.523 1.00 20.60 C ATOM 771 NZ LYS A 79 21.818 -27.159 -10.880 1.00 30.14 N ATOM 772 HZ1 LYS A 79 21.675 -27.769 -11.710 1.00 0.00 H ATOM 773 HZ2 LYS A 79 22.531 -26.434 -11.099 1.00 0.00 H ATOM 774 HZ3 LYS A 79 22.143 -27.735 -10.077 1.00 0.00 H ATOM 775 H LYS A 79 15.866 -24.873 -12.568 1.00 0.00 H ATOM 776 N VAL A 80 16.676 -20.967 -12.999 1.00 5.05 N ATOM 777 CA VAL A 80 16.052 -19.977 -13.864 1.00 4.91 C ATOM 778 C VAL A 80 16.983 -18.781 -14.061 1.00 4.72 C ATOM 779 O VAL A 80 17.920 -18.549 -13.300 1.00 5.30 O ATOM 780 CB VAL A 80 14.687 -19.524 -13.281 1.00 4.68 C ATOM 781 CG1 VAL A 80 13.788 -20.729 -12.988 1.00 5.42 C ATOM 782 CG2 VAL A 80 14.847 -18.677 -12.047 1.00 5.03 C ATOM 783 H VAL A 80 17.050 -20.661 -12.078 1.00 0.00 H ATOM 784 N LYS A 81 16.675 -18.015 -15.112 1.00 4.61 N ATOM 785 CA LYS A 81 17.279 -16.723 -15.388 1.00 4.69 C ATOM 786 C LYS A 81 16.262 -15.669 -14.975 1.00 4.03 C ATOM 787 O LYS A 81 15.130 -15.678 -15.488 1.00 4.86 O ATOM 788 CB LYS A 81 17.597 -16.575 -16.875 1.00 5.87 C ATOM 789 CG LYS A 81 18.570 -17.601 -17.435 1.00 7.04 C ATOM 790 CD LYS A 81 19.976 -17.343 -17.053 1.00 9.92 C ATOM 791 CE LYS A 81 20.835 -18.491 -17.505 1.00 8.60 C ATOM 792 NZ LYS A 81 22.227 -18.295 -17.091 1.00 6.98 N ATOM 793 HZ1 LYS A 81 22.592 -17.417 -17.512 1.00 0.00 H ATOM 794 HZ2 LYS A 81 22.273 -18.229 -16.054 1.00 0.00 H ATOM 795 HZ3 LYS A 81 22.800 -19.100 -17.414 1.00 0.00 H ATOM 796 H LYS A 81 15.956 -18.367 -15.776 1.00 0.00 H ATOM 797 N SER A 82 16.659 -14.772 -14.082 1.00 4.02 N ATOM 798 CA SER A 82 15.729 -13.847 -13.452 1.00 3.87 C ATOM 799 C SER A 82 16.119 -12.407 -13.666 1.00 3.87 C ATOM 800 O SER A 82 17.295 -12.071 -13.793 1.00 4.27 O ATOM 801 CB SER A 82 15.687 -14.126 -11.948 1.00 4.21 C ATOM 802 OG SER A 82 15.058 -15.374 -11.760 1.00 5.79 O ATOM 803 HG SER A 82 15.018 -15.579 -10.792 1.00 0.00 H ATOM 804 H SER A 82 17.666 -14.729 -13.824 1.00 0.00 H ATOM 805 N ILE A 83 15.105 -11.549 -13.610 1.00 4.14 N ATOM 806 CA ILE A 83 15.352 -10.118 -13.573 1.00 4.50 C ATOM 807 C ILE A 83 14.224 -9.494 -12.761 1.00 4.55 C ATOM 808 O ILE A 83 13.065 -9.943 -12.870 1.00 5.68 O ATOM 809 CB ILE A 83 15.474 -9.499 -14.993 1.00 5.36 C ATOM 810 CG1 ILE A 83 16.016 -8.076 -14.943 1.00 7.44 C ATOM 811 CG2 ILE A 83 14.195 -9.633 -15.798 1.00 7.32 C ATOM 812 CD1 ILE A 83 16.447 -7.581 -16.302 1.00 9.88 C ATOM 813 H ILE A 83 14.128 -11.905 -13.593 1.00 0.00 H ATOM 814 N VAL A 84 14.559 -8.494 -11.972 1.00 4.51 N ATOM 815 CA VAL A 84 13.590 -7.770 -11.162 1.00 4.68 C ATOM 816 C VAL A 84 13.696 -6.282 -11.546 1.00 5.11 C ATOM 817 O VAL A 84 14.793 -5.742 -11.606 1.00 6.33 O ATOM 818 CB VAL A 84 13.851 -7.945 -9.653 1.00 4.70 C ATOM 819 CG1 VAL A 84 12.806 -7.181 -8.858 1.00 6.27 C ATOM 820 CG2 VAL A 84 13.840 -9.414 -9.264 1.00 4.86 C ATOM 821 H VAL A 84 15.558 -8.210 -11.926 1.00 0.00 H ATOM 822 N THR A 85 12.560 -5.652 -11.799 1.00 5.25 N ATOM 823 CA THR A 85 12.506 -4.242 -12.176 1.00 5.90 C ATOM 824 C THR A 85 11.310 -3.619 -11.471 1.00 5.40 C ATOM 825 O THR A 85 10.418 -4.252 -11.029 1.00 10.57 O ATOM 826 CB THR A 85 12.368 -4.092 -13.712 1.00 8.84 C ATOM 827 OG1 THR A 85 11.186 -4.639 -14.093 1.00 10.17 O ATOM 828 CG2 THR A 85 13.324 -5.092 -14.397 1.00 9.41 C ATOM 829 HG1 THR A 85 11.171 -5.597 -13.844 1.00 0.00 H ATOM 830 H THR A 85 11.669 -6.183 -11.726 1.00 0.00 H ATOM 831 N LEU A 86 11.358 -2.291 -11.386 1.00 6.43 N ATOM 832 CA LEU A 86 10.187 -1.527 -10.977 1.00 6.31 C ATOM 833 C LEU A 86 9.435 -1.126 -12.235 1.00 6.28 C ATOM 834 O LEU A 86 10.007 -0.584 -13.187 1.00 8.01 O ATOM 835 CB LEU A 86 10.614 -0.278 -10.233 1.00 7.95 C ATOM 836 CG LEU A 86 10.932 -0.500 -8.823 1.00 9.66 C ATOM 837 CD1 LEU A 86 11.649 0.693 -8.292 1.00 16.47 C ATOM 838 CD2 LEU A 86 9.634 -0.730 -7.989 1.00 13.87 C ATOM 839 H LEU A 86 12.242 -1.793 -11.614 1.00 0.00 H ATOM 840 N ASP A 87 8.127 -1.361 -12.228 1.00 6.65 N ATOM 841 CA ASP A 87 7.280 -1.138 -13.404 1.00 7.11 C ATOM 842 C ASP A 87 5.922 -0.682 -12.861 1.00 7.21 C ATOM 843 O ASP A 87 5.252 -1.424 -12.152 1.00 8.29 O ATOM 844 CB ASP A 87 7.185 -2.441 -14.219 1.00 10.90 C ATOM 845 CG ASP A 87 6.414 -2.330 -15.486 1.00 14.31 C ATOM 846 OD1 ASP A 87 5.679 -1.384 -15.672 1.00 13.24 O ATOM 847 OD2 ASP A 87 6.431 -3.372 -16.249 1.00 18.71 O ATOM 848 H ASP A 87 7.687 -1.717 -11.355 1.00 0.00 H ATOM 849 N GLY A 88 5.575 0.585 -13.103 1.00 7.26 N ATOM 850 CA GLY A 88 4.307 1.052 -12.580 1.00 9.20 C ATOM 851 C GLY A 88 4.269 1.083 -11.061 1.00 8.91 C ATOM 852 O GLY A 88 3.193 0.937 -10.476 1.00 11.60 O ATOM 853 H GLY A 88 6.195 1.216 -13.649 1.00 0.00 H ATOM 854 N GLY A 89 5.429 1.251 -10.450 1.00 8.08 N ATOM 855 CA GLY A 89 5.495 1.225 -8.978 1.00 9.52 C ATOM 856 C GLY A 89 5.467 -0.169 -8.382 1.00 8.11 C ATOM 857 O GLY A 89 5.450 -0.268 -7.155 1.00 11.80 O ATOM 858 H GLY A 89 6.294 1.401 -11.007 1.00 0.00 H ATOM 859 N LYS A 90 5.410 -1.195 -9.208 1.00 6.99 N ATOM 860 CA LYS A 90 5.375 -2.588 -8.755 1.00 6.56 C ATOM 861 C LYS A 90 6.754 -3.183 -8.939 1.00 5.80 C ATOM 862 O LYS A 90 7.457 -2.875 -9.908 1.00 7.14 O ATOM 863 CB LYS A 90 4.378 -3.387 -9.570 1.00 6.91 C ATOM 864 CG LYS A 90 2.973 -2.798 -9.541 1.00 9.20 C ATOM 865 CD LYS A 90 1.918 -3.736 -10.123 1.00 11.35 C ATOM 866 CE LYS A 90 0.491 -3.141 -10.126 1.00 13.84 C ATOM 867 NZ LYS A 90 -0.522 -4.185 -10.450 1.00 16.54 N ATOM 868 HZ1 LYS A 90 -0.322 -4.580 -11.391 1.00 0.00 H ATOM 869 HZ2 LYS A 90 -0.477 -4.942 -9.739 1.00 0.00 H ATOM 870 HZ3 LYS A 90 -1.471 -3.759 -10.445 1.00 0.00 H ATOM 871 H LYS A 90 5.389 -1.006 -10.231 1.00 0.00 H ATOM 872 N LEU A 91 7.092 -4.064 -8.022 1.00 5.99 N ATOM 873 CA LEU A 91 8.366 -4.799 -8.152 1.00 5.15 C ATOM 874 C LEU A 91 8.075 -6.040 -8.967 1.00 4.73 C ATOM 875 O LEU A 91 7.339 -6.900 -8.431 1.00 5.56 O ATOM 876 CB LEU A 91 8.797 -5.023 -6.684 1.00 5.54 C ATOM 877 CG LEU A 91 10.199 -5.554 -6.582 1.00 5.69 C ATOM 878 CD1 LEU A 91 11.240 -4.527 -6.994 1.00 5.88 C ATOM 879 CD2 LEU A 91 10.491 -6.073 -5.175 1.00 9.31 C ATOM 880 H LEU A 91 6.466 -4.242 -7.211 1.00 0.00 H ATOM 881 N VAL A 92 8.538 -6.171 -10.225 1.00 5.51 N ATOM 882 CA VAL A 92 8.205 -7.238 -11.138 1.00 5.60 C ATOM 883 C VAL A 92 9.422 -8.152 -11.284 1.00 5.74 C ATOM 884 O VAL A 92 10.460 -7.729 -11.761 1.00 7.32 O ATOM 885 CB VAL A 92 7.796 -6.703 -12.515 1.00 6.65 C ATOM 886 CG1 VAL A 92 7.512 -7.838 -13.490 1.00 8.03 C ATOM 887 CG2 VAL A 92 6.571 -5.776 -12.377 1.00 7.35 C ATOM 888 H VAL A 92 9.193 -5.439 -10.568 1.00 0.00 H ATOM 889 N HIS A 93 9.282 -9.417 -10.887 1.00 4.75 N ATOM 890 CA HIS A 93 10.316 -10.470 -10.913 1.00 4.68 C ATOM 891 C HIS A 93 9.906 -11.486 -11.987 1.00 4.66 C ATOM 892 O HIS A 93 8.907 -12.183 -11.814 1.00 4.64 O ATOM 893 CB HIS A 93 10.385 -11.105 -9.523 1.00 5.23 C ATOM 894 CG HIS A 93 11.413 -12.198 -9.307 1.00 4.50 C ATOM 895 ND1 HIS A 93 11.524 -12.792 -8.094 1.00 5.45 N ATOM 896 CD2 HIS A 93 12.354 -12.744 -10.137 1.00 5.37 C ATOM 897 CE1 HIS A 93 12.497 -13.699 -8.194 1.00 5.81 C ATOM 898 NE2 HIS A 93 13.018 -13.706 -9.408 1.00 5.10 N ATOM 899 H HIS A 93 8.348 -9.690 -10.521 1.00 0.00 H ATOM 900 N LEU A 94 10.662 -11.511 -13.100 1.00 5.12 N ATOM 901 CA LEU A 94 10.421 -12.438 -14.196 1.00 5.12 C ATOM 902 C LEU A 94 11.451 -13.537 -14.154 1.00 4.68 C ATOM 903 O LEU A 94 12.667 -13.245 -14.097 1.00 5.55 O ATOM 904 CB LEU A 94 10.529 -11.696 -15.533 1.00 6.63 C ATOM 905 CG LEU A 94 10.483 -12.540 -16.804 1.00 7.92 C ATOM 906 CD1 LEU A 94 9.176 -13.269 -16.972 1.00 8.59 C ATOM 907 CD2 LEU A 94 10.764 -11.685 -18.031 1.00 12.37 C ATOM 908 H LEU A 94 11.452 -10.839 -13.180 1.00 0.00 H ATOM 909 N GLN A 95 11.014 -14.797 -14.182 1.00 4.42 N ATOM 910 CA GLN A 95 11.865 -15.975 -14.239 1.00 4.41 C ATOM 911 C GLN A 95 11.662 -16.689 -15.581 1.00 4.63 C ATOM 912 O GLN A 95 10.518 -16.877 -15.987 1.00 5.73 O ATOM 913 CB GLN A 95 11.524 -16.966 -13.117 1.00 4.54 C ATOM 914 CG GLN A 95 11.735 -16.383 -11.736 1.00 4.50 C ATOM 915 CD GLN A 95 11.252 -17.297 -10.638 1.00 4.35 C ATOM 916 OE1 GLN A 95 10.365 -18.141 -10.832 1.00 4.95 O ATOM 917 NE2 GLN A 95 11.800 -17.127 -9.444 1.00 4.82 N ATOM 918 HE22 GLN A 95 12.543 -16.411 -9.310 1.00 0.00 H ATOM 919 HE21 GLN A 95 11.488 -17.709 -8.641 1.00 0.00 H ATOM 920 H GLN A 95 9.985 -14.949 -14.161 1.00 0.00 H ATOM 921 N LYS A 96 12.772 -17.108 -16.184 1.00 4.97 N ATOM 922 CA LYS A 96 12.758 -17.797 -17.470 1.00 5.65 C ATOM 923 C LYS A 96 13.545 -19.097 -17.361 1.00 6.03 C ATOM 924 O LYS A 96 14.670 -19.090 -16.863 1.00 7.38 O ATOM 925 CB LYS A 96 13.439 -16.941 -18.538 1.00 7.54 C ATOM 926 CG LYS A 96 12.789 -15.627 -18.829 1.00 7.77 C ATOM 927 CD LYS A 96 13.662 -14.783 -19.715 1.00 11.76 C ATOM 928 CE LYS A 96 13.171 -13.407 -19.864 1.00 12.48 C ATOM 929 NZ LYS A 96 14.134 -12.495 -20.537 1.00 13.45 N ATOM 930 HZ1 LYS A 96 15.013 -12.451 -19.983 1.00 0.00 H ATOM 931 HZ2 LYS A 96 14.341 -12.854 -21.491 1.00 0.00 H ATOM 932 HZ3 LYS A 96 13.719 -11.544 -20.606 1.00 0.00 H ATOM 933 H LYS A 96 13.687 -16.937 -15.720 1.00 0.00 H ATOM 934 N TRP A 97 13.003 -20.179 -17.895 1.00 6.76 N ATOM 935 CA TRP A 97 13.727 -21.450 -17.919 1.00 7.67 C ATOM 936 C TRP A 97 13.068 -22.360 -18.956 1.00 9.20 C ATOM 937 O TRP A 97 11.848 -22.427 -19.008 1.00 8.63 O ATOM 938 CB TRP A 97 13.770 -22.163 -16.563 1.00 7.91 C ATOM 939 CG TRP A 97 12.462 -22.724 -16.108 1.00 7.64 C ATOM 940 CD1 TRP A 97 12.182 -24.055 -16.053 1.00 9.46 C ATOM 941 CD2 TRP A 97 11.258 -22.066 -15.699 1.00 6.42 C ATOM 942 NE1 TRP A 97 10.881 -24.270 -15.665 1.00 9.14 N ATOM 943 CE2 TRP A 97 10.294 -23.046 -15.452 1.00 7.04 C ATOM 944 CE3 TRP A 97 10.914 -20.713 -15.526 1.00 6.40 C ATOM 945 CZ2 TRP A 97 9.000 -22.734 -15.062 1.00 7.51 C ATOM 946 CZ3 TRP A 97 9.633 -20.409 -15.158 1.00 6.94 C ATOM 947 CH2 TRP A 97 8.679 -21.391 -14.920 1.00 7.40 C ATOM 948 HE1 TRP A 97 10.422 -25.196 -15.552 1.00 0.00 H ATOM 949 H TRP A 97 12.048 -20.125 -18.304 1.00 0.00 H ATOM 950 N ASP A 98 13.841 -23.050 -19.749 1.00 13.38 N ATOM 951 CA ASP A 98 13.271 -24.012 -20.720 1.00 14.27 C ATOM 952 C ASP A 98 12.226 -23.361 -21.639 1.00 12.01 C ATOM 953 O ASP A 98 11.325 -24.046 -22.118 1.00 12.89 O ATOM 954 CB ASP A 98 12.758 -25.263 -20.010 1.00 16.84 C ATOM 955 CG ASP A 98 13.839 -26.012 -19.286 1.00 21.75 C ATOM 956 OD1 ASP A 98 15.052 -25.992 -19.756 1.00 26.25 O ATOM 957 OD2 ASP A 98 13.517 -26.551 -18.197 1.00 28.56 O ATOM 958 H ASP A 98 14.872 -22.923 -19.698 1.00 0.00 H ATOM 959 N GLY A 99 12.349 -22.047 -21.925 1.00 10.88 N ATOM 960 CA GLY A 99 11.319 -21.383 -22.690 1.00 10.34 C ATOM 961 C GLY A 99 10.081 -20.984 -21.923 1.00 8.22 C ATOM 962 O GLY A 99 9.236 -20.247 -22.425 1.00 9.92 O ATOM 963 H GLY A 99 13.181 -21.516 -21.596 1.00 0.00 H ATOM 964 N GLN A 100 9.928 -21.460 -20.696 1.00 7.32 N ATOM 965 CA GLN A 100 8.836 -21.109 -19.798 1.00 7.05 C ATOM 966 C GLN A 100 9.116 -19.767 -19.130 1.00 5.67 C ATOM 967 O GLN A 100 10.282 -19.355 -19.003 1.00 5.95 O ATOM 968 CB GLN A 100 8.642 -22.164 -18.703 1.00 8.28 C ATOM 969 CG GLN A 100 8.311 -23.522 -19.223 1.00 13.75 C ATOM 970 CD GLN A 100 7.727 -24.419 -18.266 1.00 13.14 C ATOM 971 OE1 GLN A 100 6.760 -24.082 -17.606 1.00 14.39 O ATOM 972 NE2 GLN A 100 8.338 -25.542 -18.186 1.00 21.58 N ATOM 973 HE22 GLN A 100 9.158 -25.733 -18.797 1.00 0.00 H ATOM 974 HE21 GLN A 100 8.015 -26.263 -17.510 1.00 0.00 H ATOM 975 H GLN A 100 10.640 -22.134 -20.348 1.00 0.00 H ATOM 976 N GLU A 101 8.061 -19.136 -18.643 1.00 5.85 N ATOM 977 CA GLU A 101 8.181 -17.936 -17.867 1.00 5.42 C ATOM 978 C GLU A 101 7.192 -17.955 -16.704 1.00 5.06 C ATOM 979 O GLU A 101 6.098 -18.487 -16.827 1.00 6.30 O ATOM 980 CB GLU A 101 7.901 -16.673 -18.707 1.00 7.31 C ATOM 981 CG GLU A 101 8.896 -16.527 -19.840 1.00 7.90 C ATOM 982 CD GLU A 101 8.743 -15.215 -20.593 1.00 10.58 C ATOM 983 OE1 GLU A 101 9.664 -14.833 -21.292 1.00 12.80 O ATOM 984 OE2 GLU A 101 7.612 -14.670 -20.602 1.00 18.54 O ATOM 985 H GLU A 101 7.113 -19.522 -18.829 1.00 0.00 H ATOM 986 N THR A 102 7.524 -17.206 -15.678 1.00 4.60 N ATOM 987 CA THR A 102 6.590 -16.900 -14.613 1.00 4.30 C ATOM 988 C THR A 102 6.967 -15.551 -14.041 1.00 3.94 C ATOM 989 O THR A 102 8.171 -15.264 -13.937 1.00 5.44 O ATOM 990 CB THR A 102 6.575 -17.947 -13.460 1.00 3.59 C ATOM 991 OG1 THR A 102 5.577 -17.550 -12.503 1.00 3.63 O ATOM 992 CG2 THR A 102 7.875 -18.002 -12.680 1.00 3.78 C ATOM 993 HG1 THR A 102 4.692 -17.518 -12.945 1.00 0.00 H ATOM 994 H THR A 102 8.488 -16.820 -15.628 1.00 0.00 H ATOM 995 N THR A 103 5.920 -14.857 -13.630 1.00 4.79 N ATOM 996 CA THR A 103 6.106 -13.564 -13.028 1.00 5.17 C ATOM 997 C THR A 103 5.624 -13.585 -11.577 1.00 4.59 C ATOM 998 O THR A 103 4.619 -14.189 -11.234 1.00 5.34 O ATOM 999 CB THR A 103 5.381 -12.456 -13.802 1.00 6.47 C ATOM 1000 OG1 THR A 103 4.021 -12.751 -13.901 1.00 7.76 O ATOM 1001 CG2 THR A 103 6.010 -12.262 -15.176 1.00 9.44 C ATOM 1002 HG1 THR A 103 3.633 -12.821 -12.993 1.00 0.00 H ATOM 1003 H THR A 103 4.962 -15.246 -13.742 1.00 0.00 H ATOM 1004 N LEU A 104 6.384 -12.835 -10.755 1.00 4.66 N ATOM 1005 CA LEU A 104 6.099 -12.626 -9.352 1.00 4.50 C ATOM 1006 C LEU A 104 6.034 -11.108 -9.188 1.00 4.57 C ATOM 1007 O LEU A 104 7.088 -10.443 -9.270 1.00 5.30 O ATOM 1008 CB LEU A 104 7.168 -13.228 -8.437 1.00 5.21 C ATOM 1009 CG LEU A 104 7.489 -14.737 -8.652 1.00 7.29 C ATOM 1010 CD1 LEU A 104 8.565 -14.929 -9.761 1.00 8.64 C ATOM 1011 CD2 LEU A 104 7.963 -15.358 -7.348 1.00 9.68 C ATOM 1012 H LEU A 104 7.228 -12.378 -11.154 1.00 0.00 H ATOM 1013 N VAL A 105 4.833 -10.561 -9.046 1.00 4.53 N ATOM 1014 CA VAL A 105 4.628 -9.104 -9.067 1.00 4.49 C ATOM 1015 C VAL A 105 4.221 -8.685 -7.665 1.00 4.49 C ATOM 1016 O VAL A 105 3.280 -9.215 -7.109 1.00 5.93 O ATOM 1017 CB VAL A 105 3.572 -8.730 -10.088 1.00 5.82 C ATOM 1018 CG1 VAL A 105 3.279 -7.237 -10.013 1.00 8.06 C ATOM 1019 CG2 VAL A 105 3.991 -9.156 -11.487 1.00 7.76 C ATOM 1020 H VAL A 105 4.010 -11.183 -8.916 1.00 0.00 H ATOM 1021 N ARG A 106 4.935 -7.697 -7.112 1.00 4.37 N ATOM 1022 CA ARG A 106 4.613 -7.175 -5.789 1.00 4.60 C ATOM 1023 C ARG A 106 4.161 -5.728 -5.911 1.00 4.70 C ATOM 1024 O ARG A 106 4.791 -4.902 -6.565 1.00 5.38 O ATOM 1025 CB ARG A 106 5.816 -7.266 -4.856 1.00 5.11 C ATOM 1026 CG ARG A 106 6.133 -8.710 -4.494 1.00 4.80 C ATOM 1027 CD ARG A 106 7.353 -8.831 -3.597 1.00 5.26 C ATOM 1028 NE ARG A 106 7.579 -10.183 -3.085 1.00 5.48 N ATOM 1029 CZ ARG A 106 8.291 -11.092 -3.729 1.00 5.13 C ATOM 1030 NH1 ARG A 106 8.855 -10.863 -4.905 1.00 5.67 N ATOM 1031 NH2 ARG A 106 8.484 -12.289 -3.163 1.00 6.03 N ATOM 1032 HE ARG A 106 7.159 -10.442 -2.169 1.00 0.00 H ATOM 1033 HH12 ARG A 106 9.406 -11.611 -5.372 1.00 0.00 H ATOM 1034 HH11 ARG A 106 8.747 -9.935 -5.362 1.00 0.00 H ATOM 1035 HH22 ARG A 106 9.042 -13.014 -3.657 1.00 0.00 H ATOM 1036 HH21 ARG A 106 8.076 -12.494 -2.229 1.00 0.00 H ATOM 1037 H ARG A 106 5.737 -7.293 -7.637 1.00 0.00 H ATOM 1038 N GLU A 107 3.100 -5.451 -5.150 1.00 5.31 N ATOM 1039 CA GLU A 107 2.637 -4.066 -5.078 1.00 6.31 C ATOM 1040 C GLU A 107 2.141 -3.801 -3.690 1.00 5.77 C ATOM 1041 O GLU A 107 1.902 -4.715 -2.888 1.00 6.01 O ATOM 1042 CB GLU A 107 1.585 -3.821 -6.144 1.00 6.90 C ATOM 1043 CG GLU A 107 0.329 -4.572 -5.852 1.00 7.19 C ATOM 1044 CD GLU A 107 -0.614 -4.539 -7.041 1.00 8.46 C ATOM 1045 OE1 GLU A 107 -1.300 -3.488 -7.293 1.00 14.20 O ATOM 1046 OE2 GLU A 107 -0.540 -5.440 -7.898 1.00 7.93 O ATOM 1047 H GLU A 107 2.614 -6.203 -4.621 1.00 0.00 H ATOM 1048 N LEU A 108 1.992 -2.504 -3.465 1.00 7.52 N ATOM 1049 CA LEU A 108 1.470 -2.066 -2.195 1.00 7.99 C ATOM 1050 C LEU A 108 0.081 -1.541 -2.366 1.00 9.31 C ATOM 1051 O LEU A 108 -0.156 -0.671 -3.222 1.00 11.73 O ATOM 1052 CB LEU A 108 2.402 -0.977 -1.624 1.00 11.49 C ATOM 1053 CG LEU A 108 3.819 -1.546 -1.290 1.00 14.50 C ATOM 1054 CD1 LEU A 108 4.833 -0.479 -1.024 1.00 25.21 C ATOM 1055 CD2 LEU A 108 3.751 -2.542 -0.155 1.00 18.67 C ATOM 1056 H LEU A 108 2.249 -1.810 -4.196 1.00 0.00 H ATOM 1057 N ILE A 109 -0.868 -2.044 -1.616 1.00 10.54 N ATOM 1058 CA ILE A 109 -2.271 -1.606 -1.610 1.00 13.45 C ATOM 1059 C ILE A 109 -2.680 -1.437 -0.158 1.00 13.87 C ATOM 1060 O ILE A 109 -2.691 -2.399 0.602 1.00 14.44 O ATOM 1061 CB ILE A 109 -3.209 -2.626 -2.277 1.00 16.12 C ATOM 1062 CG1 ILE A 109 -2.782 -2.952 -3.737 1.00 17.98 C ATOM 1063 CG2 ILE A 109 -4.618 -2.092 -2.311 1.00 21.67 C ATOM 1064 CD1 ILE A 109 -3.621 -3.968 -4.446 1.00 25.28 C ATOM 1065 H ILE A 109 -0.607 -2.817 -0.971 1.00 0.00 H ATOM 1066 N ASP A 110 -3.017 -0.202 0.202 1.00 19.59 N ATOM 1067 CA ASP A 110 -3.433 0.129 1.556 1.00 28.27 C ATOM 1068 C ASP A 110 -2.419 -0.371 2.573 1.00 23.08 C ATOM 1069 O ASP A 110 -2.794 -0.869 3.635 1.00 22.74 O ATOM 1070 CB ASP A 110 -4.812 -0.464 1.852 1.00 31.19 C ATOM 1071 CG ASP A 110 -5.929 0.547 1.686 1.00 65.04 C ATOM 1072 OD1 ASP A 110 -5.929 1.274 0.671 1.00 54.40 O ATOM 1073 OD2 ASP A 110 -6.807 0.616 2.572 1.00 71.98 O ATOM 1074 H ASP A 110 -2.982 0.555 -0.510 1.00 0.00 H ATOM 1075 N GLY A 111 -1.135 -0.242 2.253 1.00 17.38 N ATOM 1076 CA GLY A 111 -0.093 -0.713 3.187 1.00 17.55 C ATOM 1077 C GLY A 111 0.154 -2.209 3.200 1.00 12.67 C ATOM 1078 O GLY A 111 1.113 -2.599 3.887 1.00 13.20 O ATOM 1079 H GLY A 111 -0.865 0.190 1.346 1.00 0.00 H ATOM 1080 N LYS A 112 -0.593 -3.001 2.477 1.00 10.88 N ATOM 1081 CA LYS A 112 -0.337 -4.453 2.387 1.00 9.38 C ATOM 1082 C LYS A 112 0.456 -4.711 1.146 1.00 7.82 C ATOM 1083 O LYS A 112 0.332 -4.014 0.134 1.00 10.45 O ATOM 1084 CB LYS A 112 -1.658 -5.180 2.284 1.00 12.07 C ATOM 1085 CG LYS A 112 -2.569 -4.893 3.502 1.00 16.28 C ATOM 1086 CD LYS A 112 -3.897 -5.601 3.307 1.00 24.87 C ATOM 1087 CE LYS A 112 -4.906 -5.303 4.389 1.00 30.92 C ATOM 1088 NZ LYS A 112 -4.349 -4.354 5.371 1.00 49.87 N ATOM 1089 HZ1 LYS A 112 -3.499 -4.766 5.806 1.00 0.00 H ATOM 1090 HZ2 LYS A 112 -4.098 -3.467 4.890 1.00 0.00 H ATOM 1091 HZ3 LYS A 112 -5.058 -4.162 6.107 1.00 0.00 H ATOM 1092 H LYS A 112 -1.392 -2.596 1.949 1.00 0.00 H ATOM 1093 N LEU A 113 1.271 -5.750 1.172 1.00 6.84 N ATOM 1094 CA LEU A 113 2.053 -6.102 -0.017 1.00 6.64 C ATOM 1095 C LEU A 113 1.406 -7.309 -0.668 1.00 6.76 C ATOM 1096 O LEU A 113 1.322 -8.402 -0.088 1.00 6.92 O ATOM 1097 CB LEU A 113 3.504 -6.400 0.440 1.00 6.14 C ATOM 1098 CG LEU A 113 4.454 -6.771 -0.705 1.00 5.83 C ATOM 1099 CD1 LEU A 113 5.859 -6.712 -0.124 1.00 7.47 C ATOM 1100 CD2 LEU A 113 4.179 -8.162 -1.287 1.00 6.55 C ATOM 1101 H LEU A 113 1.358 -6.320 2.038 1.00 0.00 H ATOM 1102 N ILE A 114 0.932 -7.063 -1.882 1.00 5.84 N ATOM 1103 CA ILE A 114 0.202 -8.066 -2.651 1.00 5.60 C ATOM 1104 C ILE A 114 1.168 -8.656 -3.681 1.00 5.02 C ATOM 1105 O ILE A 114 1.706 -7.939 -4.522 1.00 5.70 O ATOM 1106 CB ILE A 114 -1.006 -7.437 -3.363 1.00 7.30 C ATOM 1107 CG1 ILE A 114 -1.906 -6.622 -2.462 1.00 11.74 C ATOM 1108 CG2 ILE A 114 -1.763 -8.485 -4.167 1.00 8.55 C ATOM 1109 CD1 ILE A 114 -2.241 -7.116 -1.187 1.00 14.93 C ATOM 1110 H ILE A 114 1.086 -6.123 -2.300 1.00 0.00 H ATOM 1111 N LEU A 115 1.356 -9.969 -3.573 1.00 4.56 N ATOM 1112 CA LEU A 115 2.221 -10.741 -4.451 1.00 4.29 C ATOM 1113 C LEU A 115 1.307 -11.539 -5.404 1.00 4.14 C ATOM 1114 O LEU A 115 0.539 -12.373 -4.961 1.00 4.81 O ATOM 1115 CB LEU A 115 3.069 -11.677 -3.599 1.00 5.01 C ATOM 1116 CG LEU A 115 3.864 -12.736 -4.374 1.00 4.90 C ATOM 1117 CD1 LEU A 115 4.909 -12.118 -5.289 1.00 6.23 C ATOM 1118 CD2 LEU A 115 4.512 -13.702 -3.378 1.00 6.44 C ATOM 1119 H LEU A 115 0.854 -10.474 -2.815 1.00 0.00 H ATOM 1120 N THR A 116 1.443 -11.256 -6.701 1.00 3.98 N ATOM 1121 CA THR A 116 0.684 -11.971 -7.706 1.00 4.12 C ATOM 1122 C THR A 116 1.645 -12.850 -8.492 1.00 3.98 C ATOM 1123 O THR A 116 2.624 -12.350 -9.072 1.00 4.53 O ATOM 1124 CB THR A 116 -0.046 -11.005 -8.665 1.00 5.07 C ATOM 1125 OG1 THR A 116 -0.927 -10.178 -7.890 1.00 5.91 O ATOM 1126 CG2 THR A 116 -0.886 -11.784 -9.666 1.00 6.03 C ATOM 1127 HG1 THR A 116 -0.399 -9.665 -7.228 1.00 0.00 H ATOM 1128 H THR A 116 2.105 -10.510 -6.995 1.00 0.00 H ATOM 1129 N LEU A 117 1.376 -14.153 -8.513 1.00 3.71 N ATOM 1130 CA LEU A 117 2.186 -15.195 -9.121 1.00 3.88 C ATOM 1131 C LEU A 117 1.457 -15.789 -10.336 1.00 3.73 C ATOM 1132 O LEU A 117 0.381 -16.356 -10.127 1.00 3.18 O ATOM 1133 CB LEU A 117 2.380 -16.341 -8.131 1.00 4.03 C ATOM 1134 CG LEU A 117 3.002 -15.884 -6.795 1.00 3.73 C ATOM 1135 CD1 LEU A 117 3.080 -17.084 -5.850 1.00 4.23 C ATOM 1136 CD2 LEU A 117 4.384 -15.310 -6.980 1.00 6.51 C ATOM 1137 H LEU A 117 0.497 -14.456 -8.047 1.00 0.00 H ATOM 1138 N THR A 118 2.045 -15.643 -11.531 1.00 3.92 N ATOM 1139 CA THR A 118 1.373 -16.121 -12.735 1.00 4.39 C ATOM 1140 C THR A 118 2.264 -17.102 -13.449 1.00 4.29 C ATOM 1141 O THR A 118 3.433 -16.801 -13.728 1.00 4.61 O ATOM 1142 CB THR A 118 1.039 -14.972 -13.691 1.00 5.41 C ATOM 1143 OG1 THR A 118 0.243 -13.998 -12.999 1.00 6.36 O ATOM 1144 CG2 THR A 118 0.280 -15.450 -14.909 1.00 7.23 C ATOM 1145 HG1 THR A 118 0.751 -13.649 -12.224 1.00 0.00 H ATOM 1146 H THR A 118 2.979 -15.190 -11.600 1.00 0.00 H ATOM 1147 N HIS A 119 1.728 -18.275 -13.773 1.00 4.87 N ATOM 1148 CA HIS A 119 2.428 -19.263 -14.623 1.00 5.06 C ATOM 1149 C HIS A 119 1.348 -19.963 -15.416 1.00 5.43 C ATOM 1150 O HIS A 119 0.343 -20.387 -14.843 1.00 5.55 O ATOM 1151 CB HIS A 119 3.216 -20.286 -13.812 1.00 5.24 C ATOM 1152 CG HIS A 119 3.846 -21.334 -14.674 1.00 5.34 C ATOM 1153 ND1 HIS A 119 3.355 -22.609 -14.731 1.00 6.64 N ATOM 1154 CD2 HIS A 119 4.914 -21.247 -15.520 1.00 5.84 C ATOM 1155 CE1 HIS A 119 4.112 -23.278 -15.579 1.00 7.01 C ATOM 1156 NE2 HIS A 119 5.070 -22.487 -16.072 1.00 7.47 N ATOM 1157 H HIS A 119 0.780 -18.507 -13.415 1.00 0.00 H ATOM 1158 N GLY A 120 1.544 -20.104 -16.711 1.00 6.03 N ATOM 1159 CA GLY A 120 0.465 -20.704 -17.501 1.00 7.12 C ATOM 1160 C GLY A 120 -0.762 -19.827 -17.386 1.00 6.49 C ATOM 1161 O GLY A 120 -0.682 -18.590 -17.552 1.00 7.69 O ATOM 1162 H GLY A 120 2.433 -19.800 -17.157 1.00 0.00 H ATOM 1163 N THR A 121 -1.888 -20.432 -17.086 1.00 6.20 N ATOM 1164 CA THR A 121 -3.100 -19.684 -16.826 1.00 6.34 C ATOM 1165 C THR A 121 -3.306 -19.425 -15.342 1.00 6.75 C ATOM 1166 O THR A 121 -4.249 -18.680 -15.029 1.00 8.49 O ATOM 1167 CB THR A 121 -4.337 -20.405 -17.366 1.00 6.11 C ATOM 1168 OG1 THR A 121 -4.425 -21.693 -16.746 1.00 6.26 O ATOM 1169 CG2 THR A 121 -4.281 -20.568 -18.845 1.00 8.00 C ATOM 1170 HG1 THR A 121 -3.611 -22.216 -16.957 1.00 0.00 H ATOM 1171 H THR A 121 -1.910 -21.470 -17.034 1.00 0.00 H ATOM 1172 N ALA A 122 -2.499 -20.032 -14.470 1.00 5.91 N ATOM 1173 CA ALA A 122 -2.700 -19.942 -13.024 1.00 5.98 C ATOM 1174 C ALA A 122 -2.268 -18.551 -12.526 1.00 5.52 C ATOM 1175 O ALA A 122 -1.180 -18.100 -12.821 1.00 7.05 O ATOM 1176 CB ALA A 122 -1.883 -21.038 -12.324 1.00 7.23 C ATOM 1177 H ALA A 122 -1.698 -20.589 -14.831 1.00 0.00 H ATOM 1178 N VAL A 123 -3.144 -17.973 -11.715 1.00 5.55 N ATOM 1179 CA VAL A 123 -2.908 -16.657 -11.116 1.00 5.03 C ATOM 1180 C VAL A 123 -3.188 -16.789 -9.620 1.00 4.85 C ATOM 1181 O VAL A 123 -4.330 -17.013 -9.221 1.00 5.70 O ATOM 1182 CB VAL A 123 -3.759 -15.540 -11.732 1.00 6.13 C ATOM 1183 CG1 VAL A 123 -3.373 -14.200 -11.116 1.00 8.26 C ATOM 1184 CG2 VAL A 123 -3.590 -15.519 -13.274 1.00 8.44 C ATOM 1185 H VAL A 123 -4.030 -18.472 -11.497 1.00 0.00 H ATOM 1186 N CYS A 124 -2.137 -16.623 -8.836 1.00 4.84 N ATOM 1187 CA CYS A 124 -2.205 -16.696 -7.385 1.00 4.54 C ATOM 1188 C CYS A 124 -1.981 -15.313 -6.794 1.00 4.21 C ATOM 1189 O CYS A 124 -1.111 -14.586 -7.256 1.00 4.77 O ATOM 1190 CB CYS A 124 -1.146 -17.688 -6.919 1.00 4.93 C ATOM 1191 SG CYS A 124 -0.676 -17.566 -5.174 1.00 4.58 S ATOM 1192 H CYS A 124 -1.216 -16.431 -9.279 1.00 0.00 H ATOM 1193 N THR A 125 -2.758 -14.970 -5.752 1.00 4.29 N ATOM 1194 CA THR A 125 -2.613 -13.722 -5.041 1.00 4.45 C ATOM 1195 C THR A 125 -2.363 -13.987 -3.567 1.00 5.48 C ATOM 1196 O THR A 125 -3.244 -14.609 -2.926 1.00 5.32 O ATOM 1197 CB THR A 125 -3.915 -12.876 -5.216 1.00 5.80 C ATOM 1198 OG1 THR A 125 -4.174 -12.709 -6.624 1.00 8.73 O ATOM 1199 CG2 THR A 125 -3.658 -11.501 -4.640 1.00 6.61 C ATOM 1200 HG1 THR A 125 -4.291 -13.598 -7.044 1.00 0.00 H ATOM 1201 H THR A 125 -3.497 -15.634 -5.444 1.00 0.00 H ATOM 1202 N ARG A 126 -1.169 -13.556 -3.084 1.00 5.15 N ATOM 1203 CA ARG A 126 -0.785 -13.716 -1.698 1.00 6.12 C ATOM 1204 C ARG A 126 -0.593 -12.362 -1.088 1.00 6.05 C ATOM 1205 O ARG A 126 0.039 -11.478 -1.641 1.00 9.46 O ATOM 1206 CB ARG A 126 0.443 -14.549 -1.647 1.00 7.20 C ATOM 1207 CG ARG A 126 0.054 -16.025 -1.918 1.00 6.05 C ATOM 1208 CD ARG A 126 1.161 -16.910 -2.192 1.00 6.25 C ATOM 1209 NE ARG A 126 2.141 -17.190 -1.149 1.00 5.33 N ATOM 1210 CZ ARG A 126 2.038 -18.178 -0.275 1.00 5.00 C ATOM 1211 NH1 ARG A 126 0.937 -18.874 -0.106 1.00 5.67 N ATOM 1212 NH2 ARG A 126 3.126 -18.484 0.451 1.00 5.77 N ATOM 1213 HE ARG A 126 2.976 -16.573 -1.088 1.00 0.00 H ATOM 1214 HH12 ARG A 126 0.909 -19.641 0.596 1.00 0.00 H ATOM 1215 HH11 ARG A 126 0.093 -18.658 -0.674 1.00 0.00 H ATOM 1216 HH22 ARG A 126 3.086 -19.254 1.149 1.00 0.00 H ATOM 1217 HH21 ARG A 126 4.008 -17.951 0.315 1.00 0.00 H ATOM 1218 H ARG A 126 -0.504 -13.093 -3.736 1.00 0.00 H ATOM 1219 N THR A 127 -1.165 -12.200 0.102 1.00 4.88 N ATOM 1220 CA THR A 127 -1.117 -10.910 0.780 1.00 4.94 C ATOM 1221 C THR A 127 -0.223 -11.029 2.000 1.00 4.71 C ATOM 1222 O THR A 127 -0.385 -11.950 2.807 1.00 5.19 O ATOM 1223 CB THR A 127 -2.530 -10.503 1.240 1.00 6.58 C ATOM 1224 OG1 THR A 127 -3.403 -10.449 0.109 1.00 8.25 O ATOM 1225 CG2 THR A 127 -2.528 -9.145 1.899 1.00 8.21 C ATOM 1226 HG1 THR A 127 -3.439 -11.340 -0.321 1.00 0.00 H ATOM 1227 H THR A 127 -1.651 -13.001 0.553 1.00 0.00 H ATOM 1228 N TYR A 128 0.680 -10.052 2.104 1.00 5.25 N ATOM 1229 CA TYR A 128 1.595 -9.950 3.221 1.00 5.48 C ATOM 1230 C TYR A 128 1.339 -8.650 3.970 1.00 6.00 C ATOM 1231 O TYR A 128 1.038 -7.621 3.370 1.00 7.10 O ATOM 1232 CB TYR A 128 3.053 -9.941 2.668 1.00 6.38 C ATOM 1233 CG TYR A 128 3.585 -11.313 2.289 1.00 5.35 C ATOM 1234 CD1 TYR A 128 3.327 -11.905 1.063 1.00 5.49 C ATOM 1235 CD2 TYR A 128 4.374 -12.016 3.192 1.00 5.47 C ATOM 1236 CE1 TYR A 128 3.845 -13.188 0.755 1.00 4.92 C ATOM 1237 CE2 TYR A 128 4.878 -13.270 2.905 1.00 5.31 C ATOM 1238 CZ TYR A 128 4.605 -13.859 1.685 1.00 5.05 C ATOM 1239 OH TYR A 128 5.117 -15.099 1.460 1.00 5.77 O ATOM 1240 HH TYR A 128 4.851 -15.406 0.557 1.00 0.00 H ATOM 1241 H TYR A 128 0.728 -9.335 1.352 1.00 0.00 H ATOM 1242 N GLU A 129 1.495 -8.703 5.286 1.00 6.60 N ATOM 1243 CA GLU A 129 1.347 -7.526 6.137 1.00 7.44 C ATOM 1244 C GLU A 129 2.681 -7.265 6.842 1.00 7.08 C ATOM 1245 O GLU A 129 3.415 -8.168 7.194 1.00 7.08 O ATOM 1246 CB GLU A 129 0.257 -7.842 7.128 1.00 13.75 C ATOM 1247 CG GLU A 129 -0.017 -7.032 8.310 1.00 14.29 C ATOM 1248 CD GLU A 129 -0.969 -7.815 9.296 1.00 25.57 C ATOM 1249 OE1 GLU A 129 -2.083 -8.059 8.848 1.00 36.25 O ATOM 1250 OE2 GLU A 129 -0.562 -8.367 10.351 1.00 36.87 O ATOM 1251 H GLU A 129 1.731 -9.615 5.727 1.00 0.00 H ATOM 1252 N LYS A 130 2.938 -5.971 7.035 1.00 8.77 N ATOM 1253 CA LYS A 130 4.192 -5.522 7.557 1.00 10.44 C ATOM 1254 C LYS A 130 4.336 -5.884 8.975 1.00 13.26 C ATOM 1255 O LYS A 130 3.454 -5.572 9.758 1.00 28.21 O ATOM 1256 CB LYS A 130 4.365 -4.025 7.321 1.00 16.83 C ATOM 1257 CG LYS A 130 5.712 -3.516 7.653 1.00 23.69 C ATOM 1258 CD LYS A 130 6.448 -3.545 6.432 1.00 22.72 C ATOM 1259 CE LYS A 130 6.510 -2.199 5.661 1.00 31.03 C ATOM 1260 NZ LYS A 130 7.064 -1.081 6.330 1.00 43.86 N ATOM 1261 HZ1 LYS A 130 6.508 -0.880 7.186 1.00 0.00 H ATOM 1262 HZ2 LYS A 130 8.048 -1.290 6.595 1.00 0.00 H ATOM 1263 HZ3 LYS A 130 7.041 -0.255 5.699 1.00 0.00 H ATOM 1264 H LYS A 130 2.207 -5.269 6.800 1.00 0.00 H ATOM 1265 N GLU A 131 5.433 -6.440 9.399 1.00 11.75 N ATOM 1266 CA GLU A 131 5.891 -6.596 10.798 1.00 13.65 C ATOM 1267 C GLU A 131 6.762 -5.422 11.240 1.00 12.63 C ATOM 1268 O GLU A 131 7.607 -4.880 10.493 1.00 15.62 O ATOM 1269 CB GLU A 131 6.700 -7.954 10.950 1.00 20.12 C ATOM 1270 CG GLU A 131 7.127 -8.494 12.332 1.00 25.32 C ATOM 1271 CD GLU A 131 8.350 -9.521 12.432 1.00 29.07 C ATOM 1272 OE1 GLU A 131 8.159 -10.726 12.498 1.00 40.00 O ATOM 1273 OE2 GLU A 131 9.530 -9.077 12.588 1.00 46.72 O ATOM 1274 H GLU A 131 6.065 -6.821 8.666 1.00 0.00 H ATOM 1275 N ALA A 132 6.521 -5.016 12.446 1.00 13.12 N ATOM 1276 CA ALA A 132 7.210 -3.891 13.128 1.00 19.88 C ATOM 1277 C ALA A 132 8.617 -4.154 13.362 1.00 41.53 C ATOM 1278 O ALA A 132 8.956 -5.217 13.745 1.00 39.29 O ATOM 1279 CB ALA A 132 6.562 -3.509 14.486 1.00 23.93 C ATOM 1280 OXT ALA A 132 9.461 -3.199 13.353 1.00 21.65 O ATOM 1281 H ALA A 132 5.784 -5.519 12.981 1.00 0.00 H TER 1282 ALA A 132 HETATM 1283 O HOH 1 16.613 -24.902 -16.067 1.00 27.43 O HETATM 1284 O HOH 2 1.486 -16.850 -18.169 1.00 24.11 O HETATM 1285 O HOH 3 -5.547 -11.502 6.942 1.00 15.43 O HETATM 1286 O HOH 4 0.664 -25.381 -16.725 1.00 24.01 O HETATM 1287 O HOH 5 -0.991 -23.668 -19.043 1.00 36.60 O HETATM 1288 O HOH 6 9.804 -4.499 8.933 1.00 11.52 O HETATM 1289 O HOH 7 13.197 -9.658 10.174 1.00 13.37 O HETATM 1290 O HOH 8 -3.505 -20.411 -1.821 1.00 4.67 O HETATM 1291 O HOH 9 -2.493 -22.942 -1.105 1.00 3.98 O HETATM 1292 O HOH 10 10.580 -15.631 -4.859 1.00 4.60 O HETATM 1293 O HOH 11 -6.853 -14.302 5.012 1.00 7.90 O HETATM 1294 O HOH 12 -9.478 -15.038 1.797 1.00 4.92 O HETATM 1295 O HOH 13 13.427 0.902 5.185 1.00 13.90 O HETATM 1296 O HOH 14 17.020 -22.247 -0.882 1.00 9.96 O HETATM 1297 O HOH 15 21.057 -17.819 -2.794 1.00 4.29 O HETATM 1298 O HOH 16 -1.488 -22.966 -15.767 1.00 8.22 O HETATM 1299 O HOH 17 -5.171 -26.443 -11.214 1.00 22.79 O HETATM 1300 O HOH 18 8.420 -18.827 -9.000 1.00 5.11 O HETATM 1301 O HOH 19 24.030 -20.443 -17.394 1.00 16.56 O HETATM 1302 O HOH 20 8.527 -27.431 -9.999 1.00 13.77 O HETATM 1303 O HOH 21 0.406 -5.732 -12.575 1.00 32.95 O HETATM 1304 O HOH 22 8.004 -31.546 -5.844 1.00 47.88 O HETATM 1305 O HOH 23 -2.092 -0.240 -9.581 1.00 22.05 O HETATM 1306 O HOH 24 4.807 -35.191 -3.687 1.00 18.87 O HETATM 1307 O HOH 25 11.643 -2.290 8.978 1.00 26.17 O HETATM 1308 O HOH 26 1.542 -14.941 9.282 1.00 13.11 O HETATM 1309 O HOH 27 6.633 -33.312 -3.441 1.00 19.97 O HETATM 1310 O HOH 28 -6.426 -11.283 -2.442 1.00 10.40 O HETATM 1311 O HOH 29 -4.275 -12.721 -1.174 1.00 7.08 O HETATM 1312 O HOH 30 9.332 -29.208 -8.104 1.00 25.78 O HETATM 1313 O HOH 31 5.570 -25.915 7.167 1.00 18.21 O HETATM 1314 O HOH 32 -9.037 -18.722 -4.641 1.00 5.79 O HETATM 1315 O HOH 33 -9.261 -18.007 -9.412 1.00 55.49 O HETATM 1316 O HOH 34 22.353 -11.755 3.355 1.00 6.63 O HETATM 1317 O HOH 35 -4.216 -30.080 -6.028 1.00 8.95 O HETATM 1318 O HOH 36 20.621 -1.120 -12.401 1.00 21.14 O HETATM 1319 O HOH 37 16.552 -23.215 -3.553 1.00 17.76 O HETATM 1320 O HOH 38 -5.436 -20.192 -11.011 1.00 10.68 O HETATM 1321 O HOH 39 -6.356 -18.495 -13.194 1.00 27.06 O HETATM 1322 O HOH 40 -2.800 -25.580 -12.057 1.00 9.01 O HETATM 1323 O HOH 41 -3.547 -23.921 -14.069 1.00 11.02 O HETATM 1324 O HOH 42 -3.384 -28.631 0.464 1.00 7.40 O HETATM 1325 O HOH 43 2.918 -1.394 -15.224 1.00 16.30 O HETATM 1326 O HOH 44 18.960 -1.807 -7.837 1.00 33.58 O HETATM 1327 O HOH 45 14.843 -3.414 5.102 1.00 10.02 O HETATM 1328 O HOH 46 21.480 -3.828 4.028 1.00 9.76 O HETATM 1329 O HOH 47 21.373 -6.035 2.424 1.00 10.11 O HETATM 1330 O HOH 48 21.180 -6.216 -0.326 1.00 5.73 O HETATM 1331 O HOH 49 22.755 -9.644 1.453 1.00 11.84 O HETATM 1332 O HOH 50 10.223 2.165 -13.060 1.00 7.28 O HETATM 1333 O HOH 51 16.744 -18.106 3.547 1.00 6.11 O HETATM 1334 O HOH 52 -3.048 -28.870 -2.260 1.00 8.90 O HETATM 1335 O HOH 53 17.785 -9.872 7.475 1.00 16.35 O HETATM 1336 O HOH 54 7.855 2.477 -11.569 1.00 8.87 O HETATM 1337 O HOH 55 -5.887 -30.130 -8.185 1.00 22.18 O HETATM 1338 O HOH 56 15.318 -26.308 -13.678 1.00 18.44 O HETATM 1339 O HOH 57 13.659 -15.418 -1.227 1.00 5.81 O HETATM 1340 O HOH 58 13.231 -15.527 -3.866 1.00 5.54 O HETATM 1341 O HOH 59 14.116 -17.981 -4.968 1.00 4.81 O HETATM 1342 O HOH 60 11.758 -19.396 -4.871 1.00 4.63 O HETATM 1343 O HOH 61 16.667 -18.933 -4.236 1.00 5.01 O HETATM 1344 O HOH 62 18.809 -18.472 -5.985 1.00 4.95 O HETATM 1345 O HOH 63 10.476 -18.215 -7.013 1.00 9.14 O HETATM 1346 O HOH 64 14.194 -13.316 -16.577 1.00 6.06 O HETATM 1347 O HOH 65 15.964 -11.977 -18.200 1.00 12.70 O HETATM 1348 O HOH 66 18.984 4.971 0.591 1.00 26.74 O HETATM 1349 O HOH 67 16.062 -1.291 -12.986 1.00 49.31 O HETATM 1350 O HOH 68 20.829 -8.024 -17.525 1.00 11.97 O HETATM 1351 O HOH 69 20.950 -5.286 -17.427 1.00 18.26 O HETATM 1352 O HOH 70 -5.844 -8.840 -0.092 1.00 49.53 O HETATM 1353 O HOH 71 10.277 -27.007 -14.904 1.00 26.43 O HETATM 1354 O HOH 72 9.599 -26.181 -21.139 1.00 28.29 O HETATM 1355 O HOH 73 -6.160 -26.128 -6.195 1.00 13.71 O HETATM 1356 O HOH 74 3.716 -18.902 -18.149 1.00 12.65 O HETATM 1357 O HOH 75 17.302 -8.022 -11.412 1.00 4.98 O HETATM 1358 O HOH 76 20.771 -21.484 -10.828 1.00 13.39 O HETATM 1359 O HOH 77 2.143 -12.263 -11.899 1.00 6.11 O HETATM 1360 O HOH 78 0.631 -10.079 -12.573 1.00 19.27 O HETATM 1361 O HOH 79 -1.768 -12.783 -14.563 1.00 5.24 O HETATM 1362 O HOH 80 -3.687 -10.455 -7.990 1.00 11.92 O HETATM 1363 O HOH 81 20.034 -20.348 -13.307 1.00 12.29 O HETATM 1364 O HOH 82 6.085 -11.039 -0.848 1.00 7.60 O HETATM 1365 O HOH 83 7.330 -13.393 -0.740 1.00 5.97 O HETATM 1366 O HOH 84 11.489 -7.636 -14.567 1.00 16.44 O HETATM 1367 O HOH 85 0.465 -7.957 -7.270 1.00 8.23 O HETATM 1368 O HOH 86 10.125 -12.245 11.862 1.00 18.43 O HETATM 1369 O HOH 87 0.942 -4.168 6.139 1.00 12.84 O HETATM 1370 O HOH 88 21.042 -21.912 -19.803 1.00 34.37 O HETATM 1371 O HOH 89 25.229 0.285 -5.056 1.00 27.69 O HETATM 1372 O HOH 90 8.362 -9.113 -7.098 1.00 5.52 O HETATM 1373 O HOH 91 10.265 -13.037 -5.784 1.00 7.75 O HETATM 1374 O HOH 92 14.594 -24.741 1.556 1.00 11.90 O HETATM 1375 O HOH 93 -0.806 -37.120 2.110 1.00 29.84 O HETATM 1376 O HOH 94 9.509 -16.089 -2.231 1.00 6.22 O HETATM 1377 O HOH 95 10.853 -18.588 -2.429 1.00 5.16 O HETATM 1378 O HOH 96 5.579 -20.493 -19.584 1.00 20.21 O HETATM 1379 O HOH 97 -1.772 -27.862 -13.351 1.00 21.37 O HETATM 1380 O HOH 98 3.145 -0.632 -5.423 1.00 13.55 O HETATM 1381 O HOH 99 0.735 0.796 -9.188 1.00 15.28 O HETATM 1382 O HOH 100 21.346 -14.560 -5.108 1.00 8.06 O HETATM 1383 O HOH 101 22.856 -12.824 -7.313 1.00 8.21 O HETATM 1384 O HOH 102 -4.537 -19.623 8.882 1.00 7.85 O HETATM 1385 O HOH 103 19.684 -16.017 -6.828 1.00 6.66 O HETATM 1386 O HOH 104 23.412 -10.228 -11.496 1.00 7.17 O HETATM 1387 O HOH 105 21.286 -8.687 -10.472 1.00 5.70 O HETATM 1388 O HOH 106 -3.123 -22.507 9.679 1.00 8.25 O HETATM 1389 O HOH 107 -3.607 -23.967 -18.045 1.00 9.06 O HETATM 1390 O HOH 108 -3.978 -25.752 -16.102 1.00 15.51 O HETATM 1391 O HOH 109 25.791 -9.191 -12.582 1.00 33.62 O HETATM 1392 O HOH 110 16.624 -23.105 -19.025 1.00 38.28 O HETATM 1393 O HOH 111 16.218 -19.375 -19.324 1.00 17.72 O HETATM 1394 O HOH 112 14.255 -20.185 -21.077 1.00 14.41 O HETATM 1395 O HOH 113 12.039 -18.648 -21.140 1.00 9.46 O HETATM 1396 O HOH 114 11.219 -16.520 -22.788 1.00 11.61 O HETATM 1397 O HOH 115 21.619 -12.402 -20.753 1.00 12.87 O HETATM 1398 O HOH 116 9.855 -18.311 -24.410 1.00 14.72 O HETATM 1399 O HOH 117 7.244 -17.186 8.958 1.00 11.88 O HETATM 1400 O HOH 118 3.180 -20.952 1.865 1.00 8.28 O HETATM 1401 O HOH 119 4.021 -21.620 8.841 1.00 16.36 O HETATM 1402 O HOH 120 6.558 -20.554 8.513 1.00 13.58 O HETATM 1403 O HOH 121 0.009 -20.932 1.571 1.00 11.00 O HETATM 1404 O HOH 122 22.078 -13.393 -1.110 1.00 10.90 O HETATM 1405 O HOH 123 12.949 -1.668 6.403 1.00 13.39 O HETATM 1406 O HOH 124 25.007 -18.387 -15.879 1.00 10.59 O HETATM 1407 O HOH 125 -0.449 -22.567 9.285 1.00 11.92 O HETATM 1408 O HOH 126 11.480 5.176 -2.511 1.00 24.63 O HETATM 1409 O HOH 127 9.930 -30.320 -1.972 1.00 30.86 O HETATM 1410 O HOH 128 6.142 1.851 -5.426 1.00 36.75 O HETATM 1411 O HOH 129 -3.724 -10.979 -13.005 1.00 27.94 O HETATM 1412 O HOH 130 15.913 -9.525 9.803 1.00 32.57 O HETATM 1413 O HOH 131 -8.613 -19.831 -13.292 1.00 28.76 O HETATM 1414 O HOH 132 1.139 -12.646 11.078 1.00 32.37 O HETATM 1415 O HOH 133 -4.524 -1.430 -10.571 1.00 30.79 O HETATM 1416 O HOH 134 5.844 -16.926 11.650 1.00 29.36 O HETATM 1417 O HOH 135 5.779 -13.754 -18.743 1.00 33.79 O HETATM 1418 O HOH 136 17.575 0.182 -6.562 1.00 29.40 O HETATM 1419 O HOH 137 0.091 -12.077 -16.718 1.00 35.38 O HETATM 1420 O HOH 138 2.896 -12.937 -16.298 1.00 18.71 O HETATM 1421 O HOH 139 -5.537 -23.434 -5.866 1.00 4.98 O HETATM 1422 O HOH 140 0.119 1.468 0.256 1.00 38.53 O HETATM 1423 O HOH 141 -4.968 -5.860 8.689 1.00 37.01 O HETATM 1424 O HOH 142 8.626 2.819 -2.618 1.00 44.82 O HETATM 1425 O HOH 143 -1.054 -1.161 -5.880 1.00 21.04 O HETATM 1426 O HOH 144 12.454 -12.251 10.658 1.00 20.28 O HETATM 1427 O HOH 145 12.373 -10.143 12.893 1.00 30.12 O HETATM 1428 O HOH 146 -7.014 -24.600 -12.288 1.00 23.07 O HETATM 1429 O HOH 147 18.966 -8.958 -19.456 1.00 24.11 O HETATM 1430 O HOH 148 17.654 -9.405 3.210 1.00 17.36 O HETATM 1431 O HOH 149 -4.500 -10.465 -10.677 1.00 27.40 O HETATM 1432 O HOH 150 6.594 -19.620 11.504 1.00 23.98 O HETATM 1433 O HOH 151 8.908 -29.148 -5.398 1.00 27.05 O HETATM 1434 O HOH 152 18.399 0.244 -12.650 1.00 35.52 O HETATM 1435 O HOH 153 22.163 -0.353 -14.170 1.00 26.22 O HETATM 1436 O HOH 154 10.642 -8.156 -17.036 1.00 31.37 O HETATM 1437 O HOH 155 26.046 -20.788 -15.548 1.00 26.84 O HETATM 1438 O HOH 156 -14.174 -19.847 -9.899 1.00 13.65 O HETATM 1439 O HOH 157 -12.100 -20.964 -11.065 1.00 23.05 O HETATM 1440 O HOH 158 -9.541 -21.312 -8.793 1.00 28.36 O HETATM 1441 O HOH 159 13.074 -20.009 8.698 1.00 22.63 O HETATM 1442 O HOH 160 -10.885 -15.941 -8.400 1.00 21.11 O HETATM 1443 O HOH 161 -8.308 -14.939 -7.823 1.00 20.87 O HETATM 1444 O HOH 162 -5.470 -14.913 -7.681 1.00 15.31 O HETATM 1445 O HOH 163 -3.089 -3.493 -9.896 1.00 30.81 O HETATM 1446 O HOH 164 4.082 -16.027 9.472 1.00 26.23 O HETATM 1447 O HOH 165 17.521 -21.410 -16.900 1.00 25.31 O HETATM 1448 O HOH 166 8.498 3.634 -9.302 1.00 28.91 O HETATM 1449 O HOH 167 8.034 -26.131 -14.028 1.00 24.80 O HETATM 1450 O HOH 168 -3.158 1.863 -1.890 1.00 30.00 O HETATM 1451 O HOH 169 18.273 0.538 -4.170 1.00 28.08 O HETATM 1452 O HOH 170 14.837 -18.634 10.041 1.00 30.69 O HETATM 1453 O HOH 171 13.513 -23.141 8.727 1.00 19.67 O HETATM 1454 O HOH 172 23.473 -4.234 -17.049 1.00 30.42 O HETATM 1455 O HOH 173 11.417 -28.167 -10.413 1.00 30.67 O HETATM 1456 O HOH 174 20.187 -21.760 -15.775 1.00 25.74 O HETATM 1457 C1 STE A 175 5.802 -16.578 -1.563 1.00 0.03 C HETATM 1458 O1 STE A 175 6.859 -15.921 -1.497 1.00 -0.57 O HETATM 1459 O2 STE A 175 4.781 -16.351 -0.846 1.00 -0.57 O HETATM 1460 C2 STE A 175 5.683 -17.695 -2.574 1.00 0.00 C HETATM 1461 C3 STE A 175 6.957 -18.098 -3.280 1.00 -0.04 C HETATM 1462 C4 STE A 175 6.795 -19.204 -4.291 1.00 -0.05 C HETATM 1463 C5 STE A 175 8.113 -19.694 -4.826 1.00 -0.05 C HETATM 1464 C6 STE A 175 8.021 -20.632 -6.041 1.00 -0.05 C HETATM 1465 C7 STE A 175 7.110 -21.826 -5.863 1.00 -0.05 C HETATM 1466 C8 STE A 175 7.558 -22.808 -4.783 1.00 -0.05 C HETATM 1467 C9 STE A 175 6.504 -23.846 -4.535 1.00 -0.05 C HETATM 1468 C10 STE A 175 6.861 -25.009 -3.646 1.00 -0.05 C HETATM 1469 C11 STE A 175 7.421 -24.623 -2.347 1.00 -0.05 C HETATM 1470 C12 STE A 175 6.600 -23.587 -1.545 1.00 -0.05 C HETATM 1471 C13 STE A 175 7.056 -23.445 -0.113 1.00 -0.05 C HETATM 1472 C14 STE A 175 6.387 -22.360 0.660 1.00 -0.05 C HETATM 1473 C15 STE A 175 6.579 -20.958 0.107 1.00 -0.05 C HETATM 1474 C16 STE A 175 8.042 -20.548 -0.165 1.00 -0.05 C HETATM 1475 C17 STE A 175 8.942 -20.547 1.109 1.00 -0.06 C HETATM 1476 C18 STE A 175 10.391 -20.258 0.749 1.00 -0.07 C HETATM 1477 H33 STE A 175 11.004 -20.263 1.663 1.00 0.02 H HETATM 1478 H34 STE A 175 10.459 -19.272 0.267 1.00 0.02 H HETATM 1479 H35 STE A 175 10.758 -21.030 0.057 1.00 0.02 H HETATM 1480 H31 STE A 175 8.881 -21.532 1.594 1.00 0.03 H HETATM 1481 H32 STE A 175 8.582 -19.774 1.804 1.00 0.03 H HETATM 1482 H29 STE A 175 8.045 -19.534 -0.592 1.00 0.03 H HETATM 1483 H30 STE A 175 8.471 -21.253 -0.892 1.00 0.03 H HETATM 1484 H27 STE A 175 6.156 -20.247 0.832 1.00 0.03 H HETATM 1485 H28 STE A 175 6.025 -20.888 -0.841 1.00 0.03 H HETATM 1486 H25 STE A 175 6.784 -22.378 1.686 1.00 0.03 H HETATM 1487 H26 STE A 175 5.308 -22.573 0.681 1.00 0.03 H HETATM 1488 H23 STE A 175 8.137 -23.242 -0.118 1.00 0.03 H HETATM 1489 H24 STE A 175 6.864 -24.398 0.402 1.00 0.03 H HETATM 1490 H21 STE A 175 5.545 -23.900 -1.546 1.00 0.03 H HETATM 1491 H22 STE A 175 6.693 -22.609 -2.040 1.00 0.03 H HETATM 1492 H19 STE A 175 8.421 -24.199 -2.522 1.00 0.03 H HETATM 1493 H20 STE A 175 7.510 -25.532 -1.734 1.00 0.03 H HETATM 1494 H17 STE A 175 7.603 -25.629 -4.171 1.00 0.03 H HETATM 1495 H18 STE A 175 5.950 -25.599 -3.467 1.00 0.03 H HETATM 1496 H15 STE A 175 6.212 -24.257 -5.512 1.00 0.03 H HETATM 1497 H16 STE A 175 5.642 -23.337 -4.079 1.00 0.03 H HETATM 1498 H13 STE A 175 7.747 -22.256 -3.850 1.00 0.03 H HETATM 1499 H14 STE A 175 8.483 -23.305 -5.109 1.00 0.03 H HETATM 1500 H11 STE A 175 7.061 -22.366 -6.820 1.00 0.03 H HETATM 1501 H12 STE A 175 6.108 -21.457 -5.598 1.00 0.03 H HETATM 1502 H9 STE A 175 9.032 -21.005 -6.261 1.00 0.03 H HETATM 1503 H10 STE A 175 7.652 -20.047 -6.896 1.00 0.03 H HETATM 1504 H7 STE A 175 8.628 -20.234 -4.018 1.00 0.03 H HETATM 1505 H8 STE A 175 8.709 -18.817 -5.118 1.00 0.03 H HETATM 1506 H5 STE A 175 6.191 -18.829 -5.130 1.00 0.03 H HETATM 1507 H6 STE A 175 6.274 -20.046 -3.812 1.00 0.03 H HETATM 1508 H3 STE A 175 7.679 -18.432 -2.520 1.00 0.03 H HETATM 1509 H4 STE A 175 7.355 -17.214 -3.800 1.00 0.03 H HETATM 1510 H1 STE A 175 4.961 -17.378 -3.341 1.00 0.04 H HETATM 1511 H2 STE A 175 5.295 -18.581 -2.050 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1457 1458 1459 1460 CONECT 1458 1457 CONECT 1459 1457 CONECT 1460 1457 1461 1510 1511 CONECT 1461 1460 1462 1508 1509 CONECT 1462 1461 1463 1506 1507 CONECT 1463 1462 1464 1504 1505 CONECT 1464 1463 1465 1502 1503 CONECT 1465 1464 1466 1500 1501 CONECT 1466 1465 1467 1498 1499 CONECT 1467 1466 1468 1496 1497 CONECT 1468 1467 1469 1494 1495 CONECT 1469 1468 1470 1492 1493 CONECT 1470 1469 1471 1490 1491 CONECT 1471 1470 1472 1488 1489 CONECT 1472 1471 1473 1486 1487 CONECT 1473 1472 1474 1484 1485 CONECT 1474 1473 1475 1482 1483 CONECT 1475 1474 1476 1480 1481 CONECT 1476 1475 1477 1478 1479 CONECT 1477 1476 CONECT 1478 1476 CONECT 1479 1476 CONECT 1480 1475 CONECT 1481 1475 CONECT 1482 1474 CONECT 1483 1474 CONECT 1484 1473 CONECT 1485 1473 CONECT 1486 1472 CONECT 1487 1472 CONECT 1488 1471 CONECT 1489 1471 CONECT 1490 1470 CONECT 1491 1470 CONECT 1492 1469 CONECT 1493 1469 CONECT 1494 1468 CONECT 1495 1468 CONECT 1496 1467 CONECT 1497 1467 CONECT 1498 1466 CONECT 1499 1466 CONECT 1500 1465 CONECT 1501 1465 CONECT 1502 1464 CONECT 1503 1464 CONECT 1504 1463 CONECT 1505 1463 CONECT 1506 1462 CONECT 1507 1462 CONECT 1508 1461 CONECT 1509 1461 CONECT 1510 1460 CONECT 1511 1460 MASTER 0 0 0 0 0 0 0 0 1510 1 59 11 END
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Structure:
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Protein
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Related entries of code: 3wvm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1hmr
RCSB PDB
PDBbind
132aa, >1HMR_1|Chain... at 100%
1hms
RCSB PDB
PDBbind
132aa, >1HMS_1|Chain... at 100%
1hmt
RCSB PDB
PDBbind
132aa, >1HMT_1|Chain... at 100%
2hmb
RCSB PDB
PDBbind
132aa, >2HMB_1|Chain... at 100%
4tjz
RCSB PDB
PDBbind
133aa, >4TJZ_1|Chain... at 100%
4tkb
RCSB PDB
PDBbind
133aa, >4TKB_1|Chain... at 100%
4tkh
RCSB PDB
PDBbind
133aa, >4TKH_1|Chain... at 100%
4tkj
RCSB PDB
PDBbind
133aa, >4TKJ_1|Chain... at 100%
5hz9
RCSB PDB
PDBbind
135aa, >5HZ9_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1hmt
RCSB PDB
PDBbind
STE
3uex
RCSB PDB
PDBbind
STE
3v2p
RCSB PDB
PDBbind
STE
4fnn
RCSB PDB
PDBbind
STE
Entry Information
PDB ID
3wvm
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human heart fatty acid-binding protein
Ligand Name
STE
EC.Number
E.C.-.-.-.-
Resolution
0.88(Å)
Affinity (Kd/Ki/IC50)
Kd=1.95uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Angew.Chem.Int.Ed.Engl. Vol. 39: pp.1508-1511
Ligand Properties
Formula
C
1
8
H
3
6
O
2
Molecular Weight
284.477
Exact Mass
284.272
No. of atoms
56
No. of bonds
55
Polar Surface Area
37.3
LOGP Value
9.64 (
Computed with XLOGP3
)
6.33 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCCCCCCC(=O)O
InChI String
InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
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):
P05413
Entrez Gene ID
NCBI Entrez Gene ID:
2170
ASD
Information of known allosteric effects of PDB entries
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