diff --git "a/2kwn/2kwn_protein_processed_fix.pdb" "b/2kwn/2kwn_protein_processed_fix.pdb" new file mode 100644--- /dev/null +++ "b/2kwn/2kwn_protein_processed_fix.pdb" @@ -0,0 +1,1690 @@ +REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20 +ATOM 1 N GLY A 1 -16.784 0.395 -10.705 1.00 0.00 N +ATOM 2 CA GLY A 1 -17.582 -0.176 -9.586 1.00 0.00 C +ATOM 3 C GLY A 1 -16.718 -0.607 -8.418 1.00 0.00 C +ATOM 4 O GLY A 1 -16.314 0.219 -7.599 1.00 0.00 O +ATOM 5 HA2 GLY A 1 -18.226 0.483 -9.282 1.00 0.00 H +ATOM 6 HA3 GLY A 1 -18.087 -0.938 -9.909 1.00 0.00 H +ATOM 7 N SER A 2 -16.436 -1.906 -8.341 1.00 0.00 N +ATOM 8 CA SER A 2 -15.613 -2.455 -7.267 1.00 0.00 C +ATOM 9 C SER A 2 -16.173 -2.129 -5.897 1.00 0.00 C +ATOM 10 O SER A 2 -17.279 -1.605 -5.762 1.00 0.00 O +ATOM 11 CB SER A 2 -14.193 -1.927 -7.343 1.00 0.00 C +ATOM 12 OG SER A 2 -13.477 -2.518 -8.413 1.00 0.00 O +ATOM 13 H SER A 2 -16.715 -2.491 -8.907 1.00 0.00 H +ATOM 14 HA SER A 2 -15.616 -3.417 -7.388 1.00 0.00 H +ATOM 15 HB2 SER A 2 -14.210 -0.964 -7.456 1.00 0.00 H +ATOM 16 HB3 SER A 2 -13.735 -2.106 -6.507 1.00 0.00 H +ATOM 17 HG SER A 2 -12.866 -3.005 -8.106 1.00 0.00 H +ATOM 18 N TYR A 3 -15.384 -2.450 -4.880 1.00 0.00 N +ATOM 19 CA TYR A 3 -15.763 -2.201 -3.506 1.00 0.00 C +ATOM 20 C TYR A 3 -14.588 -2.440 -2.570 1.00 0.00 C +ATOM 21 O TYR A 3 -13.620 -3.108 -2.932 1.00 0.00 O +ATOM 22 CB TYR A 3 -16.910 -3.126 -3.107 1.00 0.00 C +ATOM 23 CG TYR A 3 -16.687 -4.580 -3.461 1.00 0.00 C +ATOM 24 CD1 TYR A 3 -15.566 -5.251 -3.010 1.00 0.00 C +ATOM 25 CD2 TYR A 3 -17.604 -5.281 -4.233 1.00 0.00 C +ATOM 26 CE1 TYR A 3 -15.353 -6.573 -3.311 1.00 0.00 C +ATOM 27 CE2 TYR A 3 -17.400 -6.613 -4.545 1.00 0.00 C +ATOM 28 CZ TYR A 3 -16.271 -7.255 -4.080 1.00 0.00 C +ATOM 29 OH TYR A 3 -16.061 -8.581 -4.383 1.00 0.00 O +ATOM 30 H TYR A 3 -14.613 -2.819 -4.972 1.00 0.00 H +ATOM 31 HA TYR A 3 -16.043 -1.275 -3.434 1.00 0.00 H +ATOM 32 HB2 TYR A 3 -17.051 -3.055 -2.150 1.00 0.00 H +ATOM 33 HB3 TYR A 3 -17.724 -2.820 -3.538 1.00 0.00 H +ATOM 34 HD1 TYR A 3 -14.942 -4.797 -2.491 1.00 0.00 H +ATOM 35 HD2 TYR A 3 -18.366 -4.849 -4.545 1.00 0.00 H +ATOM 36 HE1 TYR A 3 -14.592 -7.007 -2.997 1.00 0.00 H +ATOM 37 HE2 TYR A 3 -18.020 -7.073 -5.065 1.00 0.00 H +ATOM 38 HH TYR A 3 -15.340 -8.837 -4.036 1.00 0.00 H +ATOM 39 N CYS A 4 -14.666 -1.875 -1.376 1.00 0.00 N +ATOM 40 CA CYS A 4 -13.638 -2.081 -0.378 1.00 0.00 C +ATOM 41 C CYS A 4 -13.602 -3.544 0.036 1.00 0.00 C +ATOM 42 O CYS A 4 -14.637 -4.160 0.244 1.00 0.00 O +ATOM 43 CB CYS A 4 -13.936 -1.202 0.820 1.00 0.00 C +ATOM 44 SG CYS A 4 -13.428 -1.853 2.441 1.00 0.00 S +ATOM 45 H CYS A 4 -15.312 -1.366 -1.125 1.00 0.00 H +ATOM 46 HA CYS A 4 -12.771 -1.846 -0.744 1.00 0.00 H +ATOM 47 HB2 CYS A 4 -13.501 -0.346 0.685 1.00 0.00 H +ATOM 48 HB3 CYS A 4 -14.891 -1.034 0.845 1.00 0.00 H +ATOM 49 N ASP A 5 -12.412 -4.092 0.150 1.00 0.00 N +ATOM 50 CA ASP A 5 -12.249 -5.494 0.536 1.00 0.00 C +ATOM 51 C ASP A 5 -12.567 -5.692 2.024 1.00 0.00 C +ATOM 52 O ASP A 5 -12.461 -6.796 2.559 1.00 0.00 O +ATOM 53 CB ASP A 5 -10.818 -5.940 0.222 1.00 0.00 C +ATOM 54 CG ASP A 5 -10.471 -7.301 0.796 1.00 0.00 C +ATOM 55 OD1 ASP A 5 -11.245 -8.256 0.572 1.00 0.00 O +ATOM 56 OD2 ASP A 5 -9.423 -7.410 1.470 1.00 0.00 O +ATOM 57 H ASP A 5 -11.674 -3.673 0.009 1.00 0.00 H +ATOM 58 HA ASP A 5 -12.872 -6.038 0.029 1.00 0.00 H +ATOM 59 HB2 ASP A 5 -10.697 -5.962 -0.740 1.00 0.00 H +ATOM 60 HB3 ASP A 5 -10.197 -5.281 0.571 1.00 0.00 H +ATOM 61 N PHE A 6 -12.971 -4.607 2.674 1.00 0.00 N +ATOM 62 CA PHE A 6 -13.307 -4.620 4.102 1.00 0.00 C +ATOM 63 C PHE A 6 -14.821 -4.501 4.326 1.00 0.00 C +ATOM 64 O PHE A 6 -15.343 -5.039 5.302 1.00 0.00 O +ATOM 65 CB PHE A 6 -12.579 -3.483 4.847 1.00 0.00 C +ATOM 66 CG PHE A 6 -11.091 -3.470 4.658 1.00 0.00 C +ATOM 67 CD1 PHE A 6 -10.538 -3.206 3.417 1.00 0.00 C +ATOM 68 CD2 PHE A 6 -10.245 -3.702 5.730 1.00 0.00 C +ATOM 69 CE1 PHE A 6 -9.172 -3.174 3.247 1.00 0.00 C +ATOM 70 CE2 PHE A 6 -8.875 -3.673 5.564 1.00 0.00 C +ATOM 71 CZ PHE A 6 -8.339 -3.407 4.321 1.00 0.00 C +ATOM 72 H PHE A 6 -13.060 -3.837 2.302 1.00 0.00 H +ATOM 73 HA PHE A 6 -13.012 -5.473 4.458 1.00 0.00 H +ATOM 74 HB2 PHE A 6 -12.939 -2.633 4.549 1.00 0.00 H +ATOM 75 HB3 PHE A 6 -12.773 -3.556 5.795 1.00 0.00 H +ATOM 76 HD1 PHE A 6 -11.096 -3.048 2.690 1.00 0.00 H +ATOM 77 HD2 PHE A 6 -10.604 -3.879 6.570 1.00 0.00 H +ATOM 78 HE1 PHE A 6 -8.811 -2.995 2.409 1.00 0.00 H +ATOM 79 HE2 PHE A 6 -8.314 -3.832 6.289 1.00 0.00 H +ATOM 80 HZ PHE A 6 -7.416 -3.385 4.207 1.00 0.00 H +ATOM 81 N CYS A 7 -15.532 -3.798 3.430 1.00 0.00 N +ATOM 82 CA CYS A 7 -16.985 -3.649 3.579 1.00 0.00 C +ATOM 83 C CYS A 7 -17.717 -4.081 2.325 1.00 0.00 C +ATOM 84 O CYS A 7 -18.899 -4.425 2.369 1.00 0.00 O +ATOM 85 CB CYS A 7 -17.407 -2.214 3.908 1.00 0.00 C +ATOM 86 SG CYS A 7 -16.302 -1.290 5.012 1.00 0.00 S +ATOM 87 H CYS A 7 -15.197 -3.407 2.741 1.00 0.00 H +ATOM 88 HA CYS A 7 -17.226 -4.222 4.323 1.00 0.00 H +ATOM 89 HB2 CYS A 7 -17.489 -1.722 3.076 1.00 0.00 H +ATOM 90 HB3 CYS A 7 -18.289 -2.240 4.311 1.00 0.00 H +ATOM 91 N LEU A 8 -17.007 -4.043 1.212 1.00 0.00 N +ATOM 92 CA LEU A 8 -17.548 -4.428 -0.063 1.00 0.00 C +ATOM 93 C LEU A 8 -18.646 -3.481 -0.527 1.00 0.00 C +ATOM 94 O LEU A 8 -19.721 -3.907 -0.948 1.00 0.00 O +ATOM 95 CB LEU A 8 -18.042 -5.841 0.034 1.00 0.00 C +ATOM 96 CG LEU A 8 -17.069 -6.794 0.707 1.00 0.00 C +ATOM 97 CD1 LEU A 8 -17.680 -8.170 0.832 1.00 0.00 C +ATOM 98 CD2 LEU A 8 -15.756 -6.846 -0.056 1.00 0.00 C +ATOM 99 H LEU A 8 -16.186 -3.788 1.181 1.00 0.00 H +ATOM 100 HA LEU A 8 -16.849 -4.374 -0.733 1.00 0.00 H +ATOM 101 HB2 LEU A 8 -18.878 -5.848 0.525 1.00 0.00 H +ATOM 102 HB3 LEU A 8 -18.235 -6.168 -0.859 1.00 0.00 H +ATOM 103 HG LEU A 8 -16.882 -6.465 1.600 1.00 0.00 H +ATOM 104 HD11 LEU A 8 -17.048 -8.767 1.263 1.00 0.00 H +ATOM 105 HD12 LEU A 8 -18.489 -8.118 1.364 1.00 0.00 H +ATOM 106 HD13 LEU A 8 -17.895 -8.510 -0.051 1.00 0.00 H +ATOM 107 HD21 LEU A 8 -15.148 -7.458 0.387 1.00 0.00 H +ATOM 108 HD22 LEU A 8 -15.920 -7.153 -0.962 1.00 0.00 H +ATOM 109 HD23 LEU A 8 -15.361 -5.960 -0.081 1.00 0.00 H +ATOM 110 N GLY A 9 -18.351 -2.188 -0.448 1.00 0.00 N +ATOM 111 CA GLY A 9 -19.296 -1.173 -0.885 1.00 0.00 C +ATOM 112 C GLY A 9 -18.882 -0.520 -2.191 1.00 0.00 C +ATOM 113 O GLY A 9 -19.291 -0.970 -3.262 1.00 0.00 O +ATOM 114 H GLY A 9 -17.608 -1.879 -0.144 1.00 0.00 H +ATOM 115 HA2 GLY A 9 -20.172 -1.575 -0.991 1.00 0.00 H +ATOM 116 HA3 GLY A 9 -19.377 -0.493 -0.198 1.00 0.00 H +ATOM 117 N GLY A 10 -18.073 0.540 -2.118 1.00 0.00 N +ATOM 118 CA GLY A 10 -17.638 1.201 -3.335 1.00 0.00 C +ATOM 119 C GLY A 10 -16.962 2.536 -3.085 1.00 0.00 C +ATOM 120 O GLY A 10 -16.937 3.032 -1.959 1.00 0.00 O +ATOM 121 H GLY A 10 -17.774 0.881 -1.388 1.00 0.00 H +ATOM 122 HA2 GLY A 10 -17.024 0.619 -3.810 1.00 0.00 H +ATOM 123 HA3 GLY A 10 -18.405 1.337 -3.913 1.00 0.00 H +ATOM 124 N SER A 11 -16.411 3.114 -4.152 1.00 0.00 N +ATOM 125 CA SER A 11 -15.700 4.384 -4.069 1.00 0.00 C +ATOM 126 C SER A 11 -16.661 5.567 -4.061 1.00 0.00 C +ATOM 127 O SER A 11 -16.286 6.704 -4.346 1.00 0.00 O +ATOM 128 CB SER A 11 -14.692 4.482 -5.207 1.00 0.00 C +ATOM 129 OG SER A 11 -14.251 5.813 -5.406 1.00 0.00 O +ATOM 130 H SER A 11 -16.440 2.779 -4.943 1.00 0.00 H +ATOM 131 HA SER A 11 -15.219 4.416 -3.227 1.00 0.00 H +ATOM 132 HB2 SER A 11 -13.930 3.914 -5.014 1.00 0.00 H +ATOM 133 HB3 SER A 11 -15.094 4.149 -6.025 1.00 0.00 H +ATOM 134 HG SER A 11 -14.842 6.347 -5.140 1.00 0.00 H +ATOM 135 N ASN A 12 -17.907 5.275 -3.734 1.00 0.00 N +ATOM 136 CA ASN A 12 -18.949 6.283 -3.637 1.00 0.00 C +ATOM 137 C ASN A 12 -20.082 5.749 -2.782 1.00 0.00 C +ATOM 138 O ASN A 12 -21.220 6.213 -2.869 1.00 0.00 O +ATOM 139 CB ASN A 12 -19.463 6.676 -5.014 1.00 0.00 C +ATOM 140 CG ASN A 12 -19.758 5.478 -5.894 1.00 0.00 C +ATOM 141 OD1 ASN A 12 -20.872 4.953 -5.895 1.00 0.00 O +ATOM 142 ND2 ASN A 12 -18.759 5.038 -6.650 1.00 0.00 N +ATOM 143 H ASN A 12 -18.176 4.477 -3.560 1.00 0.00 H +ATOM 144 HA ASN A 12 -18.577 7.079 -3.225 1.00 0.00 H +ATOM 145 HB2 ASN A 12 -20.270 7.206 -4.915 1.00 0.00 H +ATOM 146 HB3 ASN A 12 -18.806 7.239 -5.451 1.00 0.00 H +ATOM 147 HD21 ASN A 12 -18.877 4.361 -7.167 1.00 0.00 H +ATOM 148 HD22 ASN A 12 -17.994 5.430 -6.623 1.00 0.00 H +ATOM 149 N MET A 13 -19.752 4.764 -1.948 1.00 0.00 N +ATOM 150 CA MET A 13 -20.738 4.143 -1.074 1.00 0.00 C +ATOM 151 C MET A 13 -20.077 3.197 -0.082 1.00 0.00 C +ATOM 152 O MET A 13 -19.699 2.079 -0.433 1.00 0.00 O +ATOM 153 CB MET A 13 -21.769 3.373 -1.897 1.00 0.00 C +ATOM 154 CG MET A 13 -22.909 2.810 -1.065 1.00 0.00 C +ATOM 155 SD MET A 13 -24.145 4.053 -0.636 1.00 0.00 S +ATOM 156 CE MET A 13 -23.461 4.714 0.882 1.00 0.00 C +ATOM 157 H MET A 13 -18.958 4.441 -1.875 1.00 0.00 H +ATOM 158 HA MET A 13 -21.180 4.852 -0.581 1.00 0.00 H +ATOM 159 HB2 MET A 13 -22.134 3.961 -2.577 1.00 0.00 H +ATOM 160 HB3 MET A 13 -21.325 2.645 -2.359 1.00 0.00 H +ATOM 161 HG2 MET A 13 -23.337 2.091 -1.555 1.00 0.00 H +ATOM 162 HG3 MET A 13 -22.549 2.424 -0.251 1.00 0.00 H +ATOM 163 HE1 MET A 13 -24.045 5.409 1.225 1.00 0.00 H +ATOM 164 HE2 MET A 13 -23.384 4.004 1.539 1.00 0.00 H +ATOM 165 HE3 MET A 13 -22.583 5.088 0.706 1.00 0.00 H +ATOM 166 N ASN A 14 -19.942 3.649 1.157 1.00 0.00 N +ATOM 167 CA ASN A 14 -19.344 2.831 2.202 1.00 0.00 C +ATOM 168 C ASN A 14 -20.403 1.921 2.802 1.00 0.00 C +ATOM 169 O ASN A 14 -21.499 2.363 3.148 1.00 0.00 O +ATOM 170 CB ASN A 14 -18.719 3.705 3.286 1.00 0.00 C +ATOM 171 CG ASN A 14 -17.785 2.931 4.196 1.00 0.00 C +ATOM 172 OD1 ASN A 14 -17.966 1.735 4.421 1.00 0.00 O +ATOM 173 ND2 ASN A 14 -16.776 3.615 4.724 1.00 0.00 N +ATOM 174 H ASN A 14 -20.192 4.431 1.415 1.00 0.00 H +ATOM 175 HA ASN A 14 -18.640 2.290 1.811 1.00 0.00 H +ATOM 176 HB2 ASN A 14 -18.230 4.431 2.869 1.00 0.00 H +ATOM 177 HB3 ASN A 14 -19.423 4.107 3.818 1.00 0.00 H +ATOM 178 HD21 ASN A 14 -16.217 3.222 5.246 1.00 0.00 H +ATOM 179 HD22 ASN A 14 -16.682 4.451 4.543 1.00 0.00 H +ATOM 180 N LYS A 15 -20.064 0.651 2.922 1.00 0.00 N +ATOM 181 CA LYS A 15 -20.982 -0.348 3.445 1.00 0.00 C +ATOM 182 C LYS A 15 -21.054 -0.335 4.963 1.00 0.00 C +ATOM 183 O LYS A 15 -22.074 -0.702 5.546 1.00 0.00 O +ATOM 184 CB LYS A 15 -20.536 -1.720 2.960 1.00 0.00 C +ATOM 185 CG LYS A 15 -21.014 -2.047 1.577 1.00 0.00 C +ATOM 186 CD LYS A 15 -22.237 -2.934 1.585 1.00 0.00 C +ATOM 187 CE LYS A 15 -22.848 -3.002 0.200 1.00 0.00 C +ATOM 188 NZ LYS A 15 -23.278 -4.383 -0.157 1.00 0.00 N +ATOM 189 H LYS A 15 -19.293 0.340 2.702 1.00 0.00 H +ATOM 190 HA LYS A 15 -21.872 -0.139 3.120 1.00 0.00 H +ATOM 191 HB2 LYS A 15 -19.567 -1.763 2.979 1.00 0.00 H +ATOM 192 HB3 LYS A 15 -20.862 -2.395 3.576 1.00 0.00 H +ATOM 193 HG2 LYS A 15 -21.217 -1.224 1.105 1.00 0.00 H +ATOM 194 HG3 LYS A 15 -20.302 -2.487 1.087 1.00 0.00 H +ATOM 195 HD2 LYS A 15 -21.996 -3.825 1.883 1.00 0.00 H +ATOM 196 HD3 LYS A 15 -22.889 -2.591 2.216 1.00 0.00 H +ATOM 197 HE2 LYS A 15 -23.611 -2.405 0.155 1.00 0.00 H +ATOM 198 HE3 LYS A 15 -22.203 -2.687 -0.452 1.00 0.00 H +ATOM 199 HZ1 LYS A 15 -23.243 -4.486 -1.040 1.00 0.00 H +ATOM 200 HZ2 LYS A 15 -22.736 -4.973 0.231 1.00 0.00 H +ATOM 201 HZ3 LYS A 15 -24.112 -4.517 0.124 1.00 0.00 H +ATOM 202 N LYS A 16 -19.976 0.085 5.598 1.00 0.00 N +ATOM 203 CA LYS A 16 -19.924 0.120 7.050 1.00 0.00 C +ATOM 204 C LYS A 16 -19.974 1.546 7.590 1.00 0.00 C +ATOM 205 O LYS A 16 -19.843 1.768 8.794 1.00 0.00 O +ATOM 206 CB LYS A 16 -18.668 -0.595 7.525 1.00 0.00 C +ATOM 207 CG LYS A 16 -18.592 -2.033 7.042 1.00 0.00 C +ATOM 208 CD LYS A 16 -19.077 -3.015 8.095 1.00 0.00 C +ATOM 209 CE LYS A 16 -18.968 -4.449 7.606 1.00 0.00 C +ATOM 210 NZ LYS A 16 -19.447 -5.422 8.626 1.00 0.00 N +ATOM 211 H LYS A 16 -19.259 0.356 5.207 1.00 0.00 H +ATOM 212 HA LYS A 16 -20.708 -0.336 7.395 1.00 0.00 H +ATOM 213 HB2 LYS A 16 -17.888 -0.111 7.212 1.00 0.00 H +ATOM 214 HB3 LYS A 16 -18.640 -0.582 8.495 1.00 0.00 H +ATOM 215 HG2 LYS A 16 -19.126 -2.132 6.239 1.00 0.00 H +ATOM 216 HG3 LYS A 16 -17.676 -2.244 6.801 1.00 0.00 H +ATOM 217 HD2 LYS A 16 -18.555 -2.907 8.905 1.00 0.00 H +ATOM 218 HD3 LYS A 16 -19.999 -2.818 8.323 1.00 0.00 H +ATOM 219 HE2 LYS A 16 -19.486 -4.553 6.792 1.00 0.00 H +ATOM 220 HE3 LYS A 16 -18.045 -4.644 7.382 1.00 0.00 H +ATOM 221 HZ1 LYS A 16 -19.806 -6.127 8.218 1.00 0.00 H +ATOM 222 HZ2 LYS A 16 -18.762 -5.687 9.128 1.00 0.00 H +ATOM 223 HZ3 LYS A 16 -20.060 -5.034 9.142 1.00 0.00 H +ATOM 224 N SER A 17 -20.164 2.509 6.695 1.00 0.00 N +ATOM 225 CA SER A 17 -20.252 3.912 7.090 1.00 0.00 C +ATOM 226 C SER A 17 -21.477 4.575 6.473 1.00 0.00 C +ATOM 227 O SER A 17 -21.808 5.718 6.788 1.00 0.00 O +ATOM 228 CB SER A 17 -18.985 4.668 6.698 1.00 0.00 C +ATOM 229 OG SER A 17 -17.851 4.153 7.374 1.00 0.00 O +ATOM 230 H SER A 17 -20.245 2.371 5.850 1.00 0.00 H +ATOM 231 HA SER A 17 -20.341 3.943 8.055 1.00 0.00 H +ATOM 232 HB2 SER A 17 -18.850 4.603 5.740 1.00 0.00 H +ATOM 233 HB3 SER A 17 -19.089 5.609 6.907 1.00 0.00 H +ATOM 234 HG SER A 17 -18.048 3.419 7.733 1.00 0.00 H +ATOM 235 N GLY A 18 -22.140 3.840 5.592 1.00 0.00 N +ATOM 236 CA GLY A 18 -23.339 4.335 4.940 1.00 0.00 C +ATOM 237 C GLY A 18 -23.146 5.634 4.191 1.00 0.00 C +ATOM 238 O GLY A 18 -24.116 6.319 3.866 1.00 0.00 O +ATOM 239 H GLY A 18 -21.909 3.046 5.357 1.00 0.00 H +ATOM 240 HA2 GLY A 18 -23.660 3.661 4.321 1.00 0.00 H +ATOM 241 HA3 GLY A 18 -24.031 4.459 5.608 1.00 0.00 H +ATOM 242 N ARG A 19 -21.902 5.976 3.917 1.00 0.00 N +ATOM 243 CA ARG A 19 -21.595 7.201 3.188 1.00 0.00 C +ATOM 244 C ARG A 19 -20.485 6.989 2.162 1.00 0.00 C +ATOM 245 O ARG A 19 -19.699 6.055 2.252 1.00 0.00 O +ATOM 246 CB ARG A 19 -21.307 8.365 4.156 1.00 0.00 C +ATOM 247 CG ARG A 19 -20.169 8.141 5.124 1.00 0.00 C +ATOM 248 CD ARG A 19 -18.879 7.927 4.385 1.00 0.00 C +ATOM 249 NE ARG A 19 -17.946 9.035 4.569 1.00 0.00 N +ATOM 250 CZ ARG A 19 -16.840 8.953 5.301 1.00 0.00 C +ATOM 251 NH1 ARG A 19 -16.523 7.817 5.908 1.00 0.00 N +ATOM 252 NH2 ARG A 19 -16.047 10.009 5.427 1.00 0.00 N +ATOM 253 H ARG A 19 -21.214 5.513 4.144 1.00 0.00 H +ATOM 254 HA ARG A 19 -22.382 7.451 2.678 1.00 0.00 H +ATOM 255 HB2 ARG A 19 -21.115 9.159 3.633 1.00 0.00 H +ATOM 256 HB3 ARG A 19 -22.112 8.548 4.665 1.00 0.00 H +ATOM 257 HG2 ARG A 19 -20.086 8.906 5.715 1.00 0.00 H +ATOM 258 HG3 ARG A 19 -20.359 7.371 5.682 1.00 0.00 H +ATOM 259 HD2 ARG A 19 -18.466 7.104 4.691 1.00 0.00 H +ATOM 260 HD3 ARG A 19 -19.065 7.817 3.439 1.00 0.00 H +ATOM 261 HE ARG A 19 -18.122 9.783 4.182 1.00 0.00 H +ATOM 262 HH11 ARG A 19 -17.034 7.130 5.829 1.00 0.00 H +ATOM 263 HH12 ARG A 19 -15.806 7.768 6.381 1.00 0.00 H +ATOM 264 HH21 ARG A 19 -16.249 10.747 5.035 1.00 0.00 H +ATOM 265 HH22 ARG A 19 -15.331 9.955 5.901 1.00 0.00 H +ATOM 266 N PRO A 20 -20.420 7.886 1.180 1.00 0.00 N +ATOM 267 CA PRO A 20 -19.441 7.838 0.088 1.00 0.00 C +ATOM 268 C PRO A 20 -17.991 7.906 0.561 1.00 0.00 C +ATOM 269 O PRO A 20 -17.696 8.398 1.650 1.00 0.00 O +ATOM 270 CB PRO A 20 -19.769 9.075 -0.754 1.00 0.00 C +ATOM 271 CG PRO A 20 -21.142 9.485 -0.342 1.00 0.00 C +ATOM 272 CD PRO A 20 -21.312 9.034 1.077 1.00 0.00 C +ATOM 273 HA PRO A 20 -19.506 6.997 -0.391 1.00 0.00 H +ATOM 274 HB2 PRO A 20 -19.129 9.786 -0.594 1.00 0.00 H +ATOM 275 HB3 PRO A 20 -19.735 8.871 -1.702 1.00 0.00 H +ATOM 276 HG2 PRO A 20 -21.252 10.446 -0.414 1.00 0.00 H +ATOM 277 HG3 PRO A 20 -21.810 9.079 -0.916 1.00 0.00 H +ATOM 278 HD2 PRO A 20 -21.069 9.732 1.705 1.00 0.00 H +ATOM 279 HD3 PRO A 20 -22.231 8.790 1.266 1.00 0.00 H +ATOM 280 N GLU A 21 -17.096 7.405 -0.284 1.00 0.00 N +ATOM 281 CA GLU A 21 -15.667 7.398 -0.007 1.00 0.00 C +ATOM 282 C GLU A 21 -14.908 7.256 -1.326 1.00 0.00 C +ATOM 283 O GLU A 21 -15.260 7.899 -2.314 1.00 0.00 O +ATOM 284 CB GLU A 21 -15.319 6.256 0.942 1.00 0.00 C +ATOM 285 CG GLU A 21 -14.063 6.521 1.751 1.00 0.00 C +ATOM 286 CD GLU A 21 -14.188 7.738 2.646 1.00 0.00 C +ATOM 287 OE1 GLU A 21 -14.657 7.585 3.793 1.00 0.00 O +ATOM 288 OE2 GLU A 21 -13.816 8.844 2.199 1.00 0.00 O +ATOM 289 H GLU A 21 -17.305 7.056 -1.042 1.00 0.00 H +ATOM 290 HA GLU A 21 -15.412 8.230 0.421 1.00 0.00 H +ATOM 291 HB2 GLU A 21 -16.062 6.107 1.547 1.00 0.00 H +ATOM 292 HB3 GLU A 21 -15.202 5.441 0.430 1.00 0.00 H +ATOM 293 HG2 GLU A 21 -13.864 5.743 2.295 1.00 0.00 H +ATOM 294 HG3 GLU A 21 -13.314 6.644 1.147 1.00 0.00 H +ATOM 295 N GLU A 22 -13.871 6.424 -1.345 1.00 0.00 N +ATOM 296 CA GLU A 22 -13.104 6.196 -2.566 1.00 0.00 C +ATOM 297 C GLU A 22 -12.086 5.079 -2.382 1.00 0.00 C +ATOM 298 O GLU A 22 -10.943 5.310 -1.985 1.00 0.00 O +ATOM 299 CB GLU A 22 -12.416 7.469 -3.049 1.00 0.00 C +ATOM 300 CG GLU A 22 -11.915 7.358 -4.481 1.00 0.00 C +ATOM 301 CD GLU A 22 -12.365 8.515 -5.350 1.00 0.00 C +ATOM 302 OE1 GLU A 22 -11.689 9.565 -5.340 1.00 0.00 O +ATOM 303 OE2 GLU A 22 -13.396 8.369 -6.042 1.00 0.00 O +ATOM 304 H GLU A 22 -13.595 5.981 -0.661 1.00 0.00 H +ATOM 305 HA GLU A 22 -13.737 5.922 -3.248 1.00 0.00 H +ATOM 306 HB2 GLU A 22 -13.036 8.212 -2.984 1.00 0.00 H +ATOM 307 HB3 GLU A 22 -11.669 7.671 -2.464 1.00 0.00 H +ATOM 308 HG2 GLU A 22 -10.946 7.318 -4.478 1.00 0.00 H +ATOM 309 HG3 GLU A 22 -12.232 6.526 -4.867 1.00 0.00 H +ATOM 310 N LEU A 23 -12.532 3.869 -2.684 1.00 0.00 N +ATOM 311 CA LEU A 23 -11.710 2.663 -2.576 1.00 0.00 C +ATOM 312 C LEU A 23 -10.395 2.765 -3.325 1.00 0.00 C +ATOM 313 O LEU A 23 -10.093 3.765 -3.976 1.00 0.00 O +ATOM 314 CB LEU A 23 -12.458 1.478 -3.150 1.00 0.00 C +ATOM 315 CG LEU A 23 -13.958 1.580 -3.128 1.00 0.00 C +ATOM 316 CD1 LEU A 23 -14.492 0.939 -4.383 1.00 0.00 C +ATOM 317 CD2 LEU A 23 -14.516 0.915 -1.876 1.00 0.00 C +ATOM 318 H LEU A 23 -13.332 3.718 -2.962 1.00 0.00 H +ATOM 319 HA LEU A 23 -11.522 2.554 -1.631 1.00 0.00 H +ATOM 320 HB2 LEU A 23 -12.173 1.350 -4.068 1.00 0.00 H +ATOM 321 HB3 LEU A 23 -12.197 0.683 -2.659 1.00 0.00 H +ATOM 322 HG LEU A 23 -14.235 2.509 -3.102 1.00 0.00 H +ATOM 323 HD11 LEU A 23 -15.460 0.994 -4.388 1.00 0.00 H +ATOM 324 HD12 LEU A 23 -14.138 1.401 -5.159 1.00 0.00 H +ATOM 325 HD13 LEU A 23 -14.222 0.008 -4.411 1.00 0.00 H +ATOM 326 HD21 LEU A 23 -15.483 0.988 -1.874 1.00 0.00 H +ATOM 327 HD22 LEU A 23 -14.263 -0.021 -1.866 1.00 0.00 H +ATOM 328 HD23 LEU A 23 -14.158 1.354 -1.089 1.00 0.00 H +ATOM 329 N VAL A 24 -9.625 1.690 -3.214 1.00 0.00 N +ATOM 330 CA VAL A 24 -8.359 1.564 -3.903 1.00 0.00 C +ATOM 331 C VAL A 24 -8.474 0.404 -4.850 1.00 0.00 C +ATOM 332 O VAL A 24 -8.463 -0.736 -4.410 1.00 0.00 O +ATOM 333 CB VAL A 24 -7.189 1.279 -2.961 1.00 0.00 C +ATOM 334 CG1 VAL A 24 -6.071 2.215 -3.263 1.00 0.00 C +ATOM 335 CG2 VAL A 24 -7.571 1.426 -1.519 1.00 0.00 C +ATOM 336 H VAL A 24 -9.829 1.009 -2.731 1.00 0.00 H +ATOM 337 HA VAL A 24 -8.179 2.406 -4.349 1.00 0.00 H +ATOM 338 HB VAL A 24 -6.918 0.359 -3.105 1.00 0.00 H +ATOM 339 HG11 VAL A 24 -5.328 2.035 -2.666 1.00 0.00 H +ATOM 340 HG12 VAL A 24 -5.784 2.091 -4.181 1.00 0.00 H +ATOM 341 HG13 VAL A 24 -6.371 3.129 -3.139 1.00 0.00 H +ATOM 342 HG21 VAL A 24 -6.802 1.237 -0.959 1.00 0.00 H +ATOM 343 HG22 VAL A 24 -7.874 2.333 -1.355 1.00 0.00 H +ATOM 344 HG23 VAL A 24 -8.285 0.804 -1.308 1.00 0.00 H +ATOM 345 N SER A 25 -8.540 0.682 -6.139 1.00 0.00 N +ATOM 346 CA SER A 25 -8.690 -0.384 -7.114 1.00 0.00 C +ATOM 347 C SER A 25 -7.348 -0.852 -7.633 1.00 0.00 C +ATOM 348 O SER A 25 -6.514 -0.055 -8.062 1.00 0.00 O +ATOM 349 CB SER A 25 -9.575 0.054 -8.278 1.00 0.00 C +ATOM 350 OG SER A 25 -9.203 1.335 -8.754 1.00 0.00 O +ATOM 351 H SER A 25 -8.500 1.475 -6.470 1.00 0.00 H +ATOM 352 HA SER A 25 -9.118 -1.127 -6.661 1.00 0.00 H +ATOM 353 HB2 SER A 25 -9.509 -0.593 -8.998 1.00 0.00 H +ATOM 354 HB3 SER A 25 -10.502 0.069 -7.994 1.00 0.00 H +ATOM 355 HG SER A 25 -8.383 1.457 -8.620 1.00 0.00 H +ATOM 356 N CYS A 26 -7.154 -2.157 -7.585 1.00 0.00 N +ATOM 357 CA CYS A 26 -5.927 -2.766 -8.049 1.00 0.00 C +ATOM 358 C CYS A 26 -5.829 -2.654 -9.565 1.00 0.00 C +ATOM 359 O CYS A 26 -6.829 -2.783 -10.271 1.00 0.00 O +ATOM 360 CB CYS A 26 -5.906 -4.223 -7.597 1.00 0.00 C +ATOM 361 SG CYS A 26 -4.525 -5.214 -8.234 1.00 0.00 S +ATOM 362 H CYS A 26 -7.733 -2.716 -7.281 1.00 0.00 H +ATOM 363 HA CYS A 26 -5.160 -2.307 -7.672 1.00 0.00 H +ATOM 364 HB2 CYS A 26 -5.880 -4.245 -6.628 1.00 0.00 H +ATOM 365 HB3 CYS A 26 -6.738 -4.642 -7.868 1.00 0.00 H +ATOM 366 N ALA A 27 -4.622 -2.417 -10.062 1.00 0.00 N +ATOM 367 CA ALA A 27 -4.406 -2.275 -11.495 1.00 0.00 C +ATOM 368 C ALA A 27 -4.012 -3.599 -12.126 1.00 0.00 C +ATOM 369 O ALA A 27 -3.581 -3.646 -13.278 1.00 0.00 O +ATOM 370 CB ALA A 27 -3.342 -1.226 -11.765 1.00 0.00 C +ATOM 371 H ALA A 27 -3.912 -2.335 -9.584 1.00 0.00 H +ATOM 372 HA ALA A 27 -5.241 -1.989 -11.897 1.00 0.00 H +ATOM 373 HB1 ALA A 27 -3.207 -1.140 -12.722 1.00 0.00 H +ATOM 374 HB2 ALA A 27 -3.628 -0.373 -11.402 1.00 0.00 H +ATOM 375 HB3 ALA A 27 -2.510 -1.493 -11.344 1.00 0.00 H +ATOM 376 N ASP A 28 -4.162 -4.674 -11.365 1.00 0.00 N +ATOM 377 CA ASP A 28 -3.822 -5.998 -11.855 1.00 0.00 C +ATOM 378 C ASP A 28 -5.064 -6.881 -11.937 1.00 0.00 C +ATOM 379 O ASP A 28 -5.430 -7.347 -13.016 1.00 0.00 O +ATOM 380 CB ASP A 28 -2.769 -6.646 -10.958 1.00 0.00 C +ATOM 381 CG ASP A 28 -2.280 -7.972 -11.506 1.00 0.00 C +ATOM 382 OD1 ASP A 28 -2.984 -8.987 -11.324 1.00 0.00 O +ATOM 383 OD2 ASP A 28 -1.191 -7.995 -12.118 1.00 0.00 O +ATOM 384 H ASP A 28 -4.461 -4.657 -10.559 1.00 0.00 H +ATOM 385 HA ASP A 28 -3.454 -5.905 -12.748 1.00 0.00 H +ATOM 386 HB2 ASP A 28 -2.016 -6.042 -10.859 1.00 0.00 H +ATOM 387 HB3 ASP A 28 -3.141 -6.782 -10.073 1.00 0.00 H +ATOM 388 N CYS A 29 -5.712 -7.111 -10.794 1.00 0.00 N +ATOM 389 CA CYS A 29 -6.914 -7.936 -10.764 1.00 0.00 C +ATOM 390 C CYS A 29 -8.173 -7.064 -10.740 1.00 0.00 C +ATOM 391 O CYS A 29 -9.128 -7.329 -11.471 1.00 0.00 O +ATOM 392 CB CYS A 29 -6.874 -8.908 -9.581 1.00 0.00 C +ATOM 393 SG CYS A 29 -6.898 -8.127 -7.939 1.00 0.00 S +ATOM 394 H CYS A 29 -5.471 -6.799 -10.030 1.00 0.00 H +ATOM 395 HA CYS A 29 -6.944 -8.466 -11.576 1.00 0.00 H +ATOM 396 HB2 CYS A 29 -7.632 -9.509 -9.649 1.00 0.00 H +ATOM 397 HB3 CYS A 29 -6.074 -9.451 -9.654 1.00 0.00 H +ATOM 398 N GLY A 30 -8.174 -6.025 -9.902 1.00 0.00 N +ATOM 399 CA GLY A 30 -9.313 -5.116 -9.855 1.00 0.00 C +ATOM 400 C GLY A 30 -10.059 -5.078 -8.530 1.00 0.00 C +ATOM 401 O GLY A 30 -11.198 -4.613 -8.485 1.00 0.00 O +ATOM 402 H GLY A 30 -7.533 -5.833 -9.361 1.00 0.00 H +ATOM 403 HA2 GLY A 30 -9.002 -4.220 -10.060 1.00 0.00 H +ATOM 404 HA3 GLY A 30 -9.937 -5.367 -10.554 1.00 0.00 H +ATOM 405 N ARG A 31 -9.447 -5.553 -7.451 1.00 0.00 N +ATOM 406 CA ARG A 31 -10.111 -5.515 -6.149 1.00 0.00 C +ATOM 407 C ARG A 31 -9.884 -4.152 -5.505 1.00 0.00 C +ATOM 408 O ARG A 31 -8.824 -3.551 -5.687 1.00 0.00 O +ATOM 409 CB ARG A 31 -9.616 -6.640 -5.239 1.00 0.00 C +ATOM 410 CG ARG A 31 -8.306 -6.338 -4.541 1.00 0.00 C +ATOM 411 CD ARG A 31 -8.094 -7.261 -3.353 1.00 0.00 C +ATOM 412 NE ARG A 31 -8.233 -8.667 -3.725 1.00 0.00 N +ATOM 413 CZ ARG A 31 -9.210 -9.455 -3.284 1.00 0.00 C +ATOM 414 NH1 ARG A 31 -10.128 -8.980 -2.453 1.00 0.00 N +ATOM 415 NH2 ARG A 31 -9.270 -10.720 -3.677 1.00 0.00 N +ATOM 416 H ARG A 31 -8.659 -5.897 -7.448 1.00 0.00 H +ATOM 417 HA ARG A 31 -11.063 -5.651 -6.279 1.00 0.00 H +ATOM 418 HB2 ARG A 31 -10.294 -6.823 -4.570 1.00 0.00 H +ATOM 419 HB3 ARG A 31 -9.512 -7.448 -5.766 1.00 0.00 H +ATOM 420 HG2 ARG A 31 -7.572 -6.438 -5.167 1.00 0.00 H +ATOM 421 HG3 ARG A 31 -8.300 -5.415 -4.242 1.00 0.00 H +ATOM 422 HD2 ARG A 31 -7.211 -7.111 -2.981 1.00 0.00 H +ATOM 423 HD3 ARG A 31 -8.735 -7.046 -2.658 1.00 0.00 H +ATOM 424 HE ARG A 31 -7.650 -9.005 -4.260 1.00 0.00 H +ATOM 425 HH11 ARG A 31 -10.093 -8.160 -2.197 1.00 0.00 H +ATOM 426 HH12 ARG A 31 -10.758 -9.492 -2.170 1.00 0.00 H +ATOM 427 HH21 ARG A 31 -8.677 -11.031 -4.217 1.00 0.00 H +ATOM 428 HH22 ARG A 31 -9.902 -11.229 -3.392 1.00 0.00 H +ATOM 429 N SER A 32 -10.865 -3.655 -4.752 1.00 0.00 N +ATOM 430 CA SER A 32 -10.721 -2.340 -4.138 1.00 0.00 C +ATOM 431 C SER A 32 -10.776 -2.376 -2.610 1.00 0.00 C +ATOM 432 O SER A 32 -11.168 -3.377 -2.013 1.00 0.00 O +ATOM 433 CB SER A 32 -11.778 -1.380 -4.672 1.00 0.00 C +ATOM 434 OG SER A 32 -11.723 -1.305 -6.084 1.00 0.00 O +ATOM 435 H SER A 32 -11.608 -4.056 -4.588 1.00 0.00 H +ATOM 436 HA SER A 32 -9.837 -2.024 -4.381 1.00 0.00 H +ATOM 437 HB2 SER A 32 -12.659 -1.675 -4.394 1.00 0.00 H +ATOM 438 HB3 SER A 32 -11.641 -0.498 -4.292 1.00 0.00 H +ATOM 439 HG SER A 32 -11.935 -0.531 -6.332 1.00 0.00 H +ATOM 440 N GLY A 33 -10.362 -1.264 -1.990 1.00 0.00 N +ATOM 441 CA GLY A 33 -10.367 -1.153 -0.531 1.00 0.00 C +ATOM 442 C GLY A 33 -10.620 0.269 -0.045 1.00 0.00 C +ATOM 443 O GLY A 33 -10.214 1.214 -0.690 1.00 0.00 O +ATOM 444 H GLY A 33 -10.075 -0.564 -2.399 1.00 0.00 H +ATOM 445 HA2 GLY A 33 -11.049 -1.740 -0.169 1.00 0.00 H +ATOM 446 HA3 GLY A 33 -9.515 -1.461 -0.185 1.00 0.00 H +ATOM 447 N HIS A 34 -11.286 0.457 1.090 1.00 0.00 N +ATOM 448 CA HIS A 34 -11.489 1.824 1.569 1.00 0.00 C +ATOM 449 C HIS A 34 -10.189 2.270 2.207 1.00 0.00 C +ATOM 450 O HIS A 34 -9.737 1.624 3.147 1.00 0.00 O +ATOM 451 CB HIS A 34 -12.588 1.923 2.630 1.00 0.00 C +ATOM 452 CG HIS A 34 -14.007 1.959 2.116 1.00 0.00 C +ATOM 453 ND1 HIS A 34 -14.939 1.081 2.581 1.00 0.00 N +ATOM 454 CD2 HIS A 34 -14.632 2.703 1.168 1.00 0.00 C +ATOM 455 CE1 HIS A 34 -16.083 1.255 1.952 1.00 0.00 C +ATOM 456 NE2 HIS A 34 -15.926 2.244 1.091 1.00 0.00 N +ATOM 457 H HIS A 34 -11.618 -0.165 1.582 1.00 0.00 H +ATOM 458 HA HIS A 34 -11.756 2.375 0.816 1.00 0.00 H +ATOM 459 HB2 HIS A 34 -12.500 1.167 3.232 1.00 0.00 H +ATOM 460 HB3 HIS A 34 -12.433 2.723 3.156 1.00 0.00 H +ATOM 461 HD2 HIS A 34 -14.257 3.391 0.667 1.00 0.00 H +ATOM 462 HE1 HIS A 34 -16.863 0.768 2.090 1.00 0.00 H +ATOM 463 HE2 HIS A 34 -16.535 2.551 0.567 1.00 0.00 H +ATOM 464 N PRO A 35 -9.560 3.359 1.742 1.00 0.00 N +ATOM 465 CA PRO A 35 -8.299 3.803 2.325 1.00 0.00 C +ATOM 466 C PRO A 35 -8.360 3.832 3.850 1.00 0.00 C +ATOM 467 O PRO A 35 -7.451 3.346 4.530 1.00 0.00 O +ATOM 468 CB PRO A 35 -8.123 5.208 1.763 1.00 0.00 C +ATOM 469 CG PRO A 35 -8.870 5.211 0.472 1.00 0.00 C +ATOM 470 CD PRO A 35 -9.979 4.198 0.604 1.00 0.00 C +ATOM 471 HA PRO A 35 -7.563 3.209 2.110 1.00 0.00 H +ATOM 472 HB2 PRO A 35 -8.475 5.876 2.373 1.00 0.00 H +ATOM 473 HB3 PRO A 35 -7.185 5.415 1.626 1.00 0.00 H +ATOM 474 HG2 PRO A 35 -9.230 6.092 0.286 1.00 0.00 H +ATOM 475 HG3 PRO A 35 -8.282 4.983 -0.265 1.00 0.00 H +ATOM 476 HD2 PRO A 35 -10.833 4.626 0.773 1.00 0.00 H +ATOM 477 HD3 PRO A 35 -10.080 3.674 -0.206 1.00 0.00 H +ATOM 478 N THR A 36 -9.444 4.385 4.383 1.00 0.00 N +ATOM 479 CA THR A 36 -9.629 4.452 5.825 1.00 0.00 C +ATOM 480 C THR A 36 -9.671 3.048 6.419 1.00 0.00 C +ATOM 481 O THR A 36 -9.265 2.830 7.560 1.00 0.00 O +ATOM 482 CB THR A 36 -10.924 5.197 6.191 1.00 0.00 C +ATOM 483 OG1 THR A 36 -12.052 4.567 5.572 1.00 0.00 O +ATOM 484 CG2 THR A 36 -10.841 6.646 5.757 1.00 0.00 C +ATOM 485 H THR A 36 -10.085 4.728 3.924 1.00 0.00 H +ATOM 486 HA THR A 36 -8.877 4.941 6.193 1.00 0.00 H +ATOM 487 HB THR A 36 -11.034 5.164 7.154 1.00 0.00 H +ATOM 488 HG1 THR A 36 -12.741 5.026 5.711 1.00 0.00 H +ATOM 489 HG21 THR A 36 -11.663 7.103 5.994 1.00 0.00 H +ATOM 490 HG22 THR A 36 -10.094 7.075 6.202 1.00 0.00 H +ATOM 491 HG23 THR A 36 -10.713 6.689 4.796 1.00 0.00 H +ATOM 492 N CYS A 37 -10.168 2.100 5.627 1.00 0.00 N +ATOM 493 CA CYS A 37 -10.263 0.708 6.054 1.00 0.00 C +ATOM 494 C CYS A 37 -8.906 0.020 5.998 1.00 0.00 C +ATOM 495 O CYS A 37 -8.615 -0.853 6.816 1.00 0.00 O +ATOM 496 CB CYS A 37 -11.287 -0.051 5.197 1.00 0.00 C +ATOM 497 SG CYS A 37 -12.991 0.482 5.496 1.00 0.00 S +ATOM 498 H CYS A 37 -10.458 2.246 4.831 1.00 0.00 H +ATOM 499 HA CYS A 37 -10.564 0.700 6.976 1.00 0.00 H +ATOM 500 HB2 CYS A 37 -11.074 0.075 4.259 1.00 0.00 H +ATOM 501 HB3 CYS A 37 -11.214 -1.001 5.379 1.00 0.00 H +ATOM 502 N LEU A 38 -8.075 0.411 5.036 1.00 0.00 N +ATOM 503 CA LEU A 38 -6.747 -0.188 4.912 1.00 0.00 C +ATOM 504 C LEU A 38 -5.741 0.483 5.843 1.00 0.00 C +ATOM 505 O LEU A 38 -4.566 0.116 5.854 1.00 0.00 O +ATOM 506 CB LEU A 38 -6.226 -0.087 3.488 1.00 0.00 C +ATOM 507 CG LEU A 38 -7.182 -0.542 2.399 1.00 0.00 C +ATOM 508 CD1 LEU A 38 -7.528 0.633 1.516 1.00 0.00 C +ATOM 509 CD2 LEU A 38 -6.561 -1.660 1.581 1.00 0.00 C +ATOM 510 H LEU A 38 -8.257 1.014 4.451 1.00 0.00 H +ATOM 511 HA LEU A 38 -6.843 -1.121 5.159 1.00 0.00 H +ATOM 512 HB2 LEU A 38 -5.982 0.836 3.316 1.00 0.00 H +ATOM 513 HB3 LEU A 38 -5.413 -0.612 3.421 1.00 0.00 H +ATOM 514 HG LEU A 38 -7.993 -0.884 2.806 1.00 0.00 H +ATOM 515 HD11 LEU A 38 -8.139 0.346 0.819 1.00 0.00 H +ATOM 516 HD12 LEU A 38 -7.949 1.326 2.049 1.00 0.00 H +ATOM 517 HD13 LEU A 38 -6.719 0.984 1.112 1.00 0.00 H +ATOM 518 HD21 LEU A 38 -7.182 -1.940 0.891 1.00 0.00 H +ATOM 519 HD22 LEU A 38 -5.742 -1.343 1.169 1.00 0.00 H +ATOM 520 HD23 LEU A 38 -6.362 -2.412 2.160 1.00 0.00 H +ATOM 521 N GLN A 39 -6.204 1.477 6.602 1.00 0.00 N +ATOM 522 CA GLN A 39 -5.341 2.216 7.528 1.00 0.00 C +ATOM 523 C GLN A 39 -4.394 3.119 6.752 1.00 0.00 C +ATOM 524 O GLN A 39 -3.400 3.609 7.287 1.00 0.00 O +ATOM 525 CB GLN A 39 -4.535 1.274 8.427 1.00 0.00 C +ATOM 526 CG GLN A 39 -5.373 0.514 9.433 1.00 0.00 C +ATOM 527 CD GLN A 39 -4.575 -0.534 10.191 1.00 0.00 C +ATOM 528 OE1 GLN A 39 -5.131 -1.521 10.671 1.00 0.00 O +ATOM 529 NE2 GLN A 39 -3.262 -0.336 10.295 1.00 0.00 N +ATOM 530 H GLN A 39 -7.022 1.741 6.596 1.00 0.00 H +ATOM 531 HA GLN A 39 -5.914 2.754 8.096 1.00 0.00 H +ATOM 532 HB2 GLN A 39 -4.060 0.638 7.870 1.00 0.00 H +ATOM 533 HB3 GLN A 39 -3.865 1.790 8.902 1.00 0.00 H +ATOM 534 HG2 GLN A 39 -5.759 1.140 10.065 1.00 0.00 H +ATOM 535 HG3 GLN A 39 -6.111 0.083 8.974 1.00 0.00 H +ATOM 536 HE21 GLN A 39 -2.904 0.365 9.948 1.00 0.00 H +ATOM 537 HE22 GLN A 39 -2.772 -0.909 10.709 1.00 0.00 H +ATOM 538 N PHE A 40 -4.719 3.329 5.482 1.00 0.00 N +ATOM 539 CA PHE A 40 -3.914 4.167 4.605 1.00 0.00 C +ATOM 540 C PHE A 40 -3.791 5.589 5.139 1.00 0.00 C +ATOM 541 O PHE A 40 -4.359 5.936 6.174 1.00 0.00 O +ATOM 542 CB PHE A 40 -4.540 4.221 3.210 1.00 0.00 C +ATOM 543 CG PHE A 40 -4.340 2.990 2.360 1.00 0.00 C +ATOM 544 CD1 PHE A 40 -3.643 1.882 2.822 1.00 0.00 C +ATOM 545 CD2 PHE A 40 -4.847 2.963 1.072 1.00 0.00 C +ATOM 546 CE1 PHE A 40 -3.464 0.776 2.011 1.00 0.00 C +ATOM 547 CE2 PHE A 40 -4.667 1.864 0.259 1.00 0.00 C +ATOM 548 CZ PHE A 40 -3.978 0.770 0.726 1.00 0.00 C +ATOM 549 H PHE A 40 -5.413 2.989 5.105 1.00 0.00 H +ATOM 550 HA PHE A 40 -3.029 3.773 4.564 1.00 0.00 H +ATOM 551 HB2 PHE A 40 -5.492 4.378 3.306 1.00 0.00 H +ATOM 552 HB3 PHE A 40 -4.173 4.984 2.737 1.00 0.00 H +ATOM 553 HD1 PHE A 40 -3.294 1.883 3.684 1.00 0.00 H +ATOM 554 HD2 PHE A 40 -5.317 3.698 0.750 1.00 0.00 H +ATOM 555 HE1 PHE A 40 -2.998 0.036 2.329 1.00 0.00 H +ATOM 556 HE2 PHE A 40 -5.012 1.863 -0.605 1.00 0.00 H +ATOM 557 HZ PHE A 40 -3.857 0.027 0.179 1.00 0.00 H +ATOM 558 N THR A 41 -3.040 6.402 4.407 1.00 0.00 N +ATOM 559 CA THR A 41 -2.836 7.800 4.754 1.00 0.00 C +ATOM 560 C THR A 41 -3.256 8.680 3.581 1.00 0.00 C +ATOM 561 O THR A 41 -3.720 8.168 2.565 1.00 0.00 O +ATOM 562 CB THR A 41 -1.370 8.078 5.122 1.00 0.00 C +ATOM 563 OG1 THR A 41 -1.174 9.476 5.370 1.00 0.00 O +ATOM 564 CG2 THR A 41 -0.437 7.617 4.015 1.00 0.00 C +ATOM 565 H THR A 41 -2.632 6.156 3.691 1.00 0.00 H +ATOM 566 HA THR A 41 -3.380 8.005 5.530 1.00 0.00 H +ATOM 567 HB THR A 41 -1.164 7.580 5.928 1.00 0.00 H +ATOM 568 HG1 THR A 41 -1.706 9.732 5.967 1.00 0.00 H +ATOM 569 HG21 THR A 41 0.481 7.802 4.268 1.00 0.00 H +ATOM 570 HG22 THR A 41 -0.548 6.664 3.874 1.00 0.00 H +ATOM 571 HG23 THR A 41 -0.648 8.091 3.195 1.00 0.00 H +ATOM 572 N LEU A 42 -3.100 9.990 3.707 1.00 0.00 N +ATOM 573 CA LEU A 42 -3.489 10.892 2.628 1.00 0.00 C +ATOM 574 C LEU A 42 -2.570 10.743 1.420 1.00 0.00 C +ATOM 575 O LEU A 42 -3.043 10.664 0.293 1.00 0.00 O +ATOM 576 CB LEU A 42 -3.508 12.343 3.116 1.00 0.00 C +ATOM 577 CG LEU A 42 -4.444 13.281 2.341 1.00 0.00 C +ATOM 578 CD1 LEU A 42 -3.863 13.616 0.982 1.00 0.00 C +ATOM 579 CD2 LEU A 42 -5.820 12.660 2.181 1.00 0.00 C +ATOM 580 H LEU A 42 -2.774 10.377 4.402 1.00 0.00 H +ATOM 581 HA LEU A 42 -4.386 10.649 2.349 1.00 0.00 H +ATOM 582 HB2 LEU A 42 -3.767 12.351 4.051 1.00 0.00 H +ATOM 583 HB3 LEU A 42 -2.606 12.697 3.068 1.00 0.00 H +ATOM 584 HG LEU A 42 -4.533 14.101 2.851 1.00 0.00 H +ATOM 585 HD11 LEU A 42 -4.468 14.208 0.508 1.00 0.00 H +ATOM 586 HD12 LEU A 42 -3.005 14.054 1.096 1.00 0.00 H +ATOM 587 HD13 LEU A 42 -3.744 12.800 0.471 1.00 0.00 H +ATOM 588 HD21 LEU A 42 -6.394 13.268 1.690 1.00 0.00 H +ATOM 589 HD22 LEU A 42 -5.743 11.824 1.695 1.00 0.00 H +ATOM 590 HD23 LEU A 42 -6.203 12.491 3.056 1.00 0.00 H +ATOM 591 N ASN A 43 -1.262 10.697 1.650 1.00 0.00 N +ATOM 592 CA ASN A 43 -0.311 10.552 0.550 1.00 0.00 C +ATOM 593 C ASN A 43 -0.531 9.233 -0.174 1.00 0.00 C +ATOM 594 O ASN A 43 -0.467 9.177 -1.394 1.00 0.00 O +ATOM 595 CB ASN A 43 1.121 10.623 1.061 1.00 0.00 C +ATOM 596 CG ASN A 43 2.051 11.318 0.089 1.00 0.00 C +ATOM 597 OD1 ASN A 43 1.814 11.327 -1.119 1.00 0.00 O +ATOM 598 ND2 ASN A 43 3.121 11.897 0.613 1.00 0.00 N +ATOM 599 H ASN A 43 -0.905 10.748 2.431 1.00 0.00 H +ATOM 600 HA ASN A 43 -0.458 11.283 -0.070 1.00 0.00 H +ATOM 601 HB2 ASN A 43 1.135 11.093 1.910 1.00 0.00 H +ATOM 602 HB3 ASN A 43 1.446 9.725 1.229 1.00 0.00 H +ATOM 603 HD21 ASN A 43 3.684 12.301 0.104 1.00 0.00 H +ATOM 604 HD22 ASN A 43 3.252 11.869 1.462 1.00 0.00 H +ATOM 605 N MET A 44 -0.769 8.172 0.588 1.00 0.00 N +ATOM 606 CA MET A 44 -1.027 6.859 0.007 1.00 0.00 C +ATOM 607 C MET A 44 -2.317 6.886 -0.772 1.00 0.00 C +ATOM 608 O MET A 44 -2.337 6.578 -1.946 1.00 0.00 O +ATOM 609 CB MET A 44 -1.124 5.807 1.100 1.00 0.00 C +ATOM 610 CG MET A 44 -2.196 4.765 0.867 1.00 0.00 C +ATOM 611 SD MET A 44 -1.620 3.382 -0.112 1.00 0.00 S +ATOM 612 CE MET A 44 -0.574 2.593 1.090 1.00 0.00 C +ATOM 613 H MET A 44 -0.786 8.191 1.448 1.00 0.00 H +ATOM 614 HA MET A 44 -0.293 6.636 -0.586 1.00 0.00 H +ATOM 615 HB2 MET A 44 -0.267 5.361 1.182 1.00 0.00 H +ATOM 616 HB3 MET A 44 -1.296 6.249 1.946 1.00 0.00 H +ATOM 617 HG2 MET A 44 -2.515 4.439 1.723 1.00 0.00 H +ATOM 618 HG3 MET A 44 -2.952 5.179 0.421 1.00 0.00 H +ATOM 619 HE1 MET A 44 -0.174 1.800 0.700 1.00 0.00 H +ATOM 620 HE2 MET A 44 0.126 3.207 1.363 1.00 0.00 H +ATOM 621 HE3 MET A 44 -1.102 2.341 1.863 1.00 0.00 H +ATOM 622 N THR A 45 -3.387 7.288 -0.105 1.00 0.00 N +ATOM 623 CA THR A 45 -4.693 7.327 -0.729 1.00 0.00 C +ATOM 624 C THR A 45 -4.596 8.123 -2.016 1.00 0.00 C +ATOM 625 O THR A 45 -4.865 7.612 -3.092 1.00 0.00 O +ATOM 626 CB THR A 45 -5.731 7.963 0.217 1.00 0.00 C +ATOM 627 OG1 THR A 45 -5.861 7.170 1.401 1.00 0.00 O +ATOM 628 CG2 THR A 45 -7.088 8.103 -0.454 1.00 0.00 C +ATOM 629 H THR A 45 -3.375 7.544 0.716 1.00 0.00 H +ATOM 630 HA THR A 45 -4.984 6.422 -0.924 1.00 0.00 H +ATOM 631 HB THR A 45 -5.416 8.851 0.448 1.00 0.00 H +ATOM 632 HG1 THR A 45 -5.113 7.102 1.777 1.00 0.00 H +ATOM 633 HG21 THR A 45 -7.716 8.505 0.166 1.00 0.00 H +ATOM 634 HG22 THR A 45 -7.004 8.666 -1.239 1.00 0.00 H +ATOM 635 HG23 THR A 45 -7.411 7.227 -0.718 1.00 0.00 H +ATOM 636 N GLU A 46 -4.143 9.355 -1.890 1.00 0.00 N +ATOM 637 CA GLU A 46 -3.958 10.234 -3.031 1.00 0.00 C +ATOM 638 C GLU A 46 -3.106 9.556 -4.107 1.00 0.00 C +ATOM 639 O GLU A 46 -3.488 9.504 -5.278 1.00 0.00 O +ATOM 640 CB GLU A 46 -3.312 11.529 -2.547 1.00 0.00 C +ATOM 641 CG GLU A 46 -2.355 12.128 -3.516 1.00 0.00 C +ATOM 642 CD GLU A 46 -0.975 12.352 -2.927 1.00 0.00 C +ATOM 643 OE1 GLU A 46 -0.769 13.402 -2.281 1.00 0.00 O +ATOM 644 OE2 GLU A 46 -0.101 11.479 -3.111 1.00 0.00 O +ATOM 645 H GLU A 46 -3.932 9.710 -1.136 1.00 0.00 H +ATOM 646 HA GLU A 46 -4.817 10.435 -3.434 1.00 0.00 H +ATOM 647 HB2 GLU A 46 -4.009 12.175 -2.354 1.00 0.00 H +ATOM 648 HB3 GLU A 46 -2.848 11.356 -1.713 1.00 0.00 H +ATOM 649 HG2 GLU A 46 -2.280 11.548 -4.290 1.00 0.00 H +ATOM 650 HG3 GLU A 46 -2.708 12.975 -3.830 1.00 0.00 H +ATOM 651 N ALA A 47 -1.955 9.042 -3.698 1.00 0.00 N +ATOM 652 CA ALA A 47 -1.037 8.369 -4.621 1.00 0.00 C +ATOM 653 C ALA A 47 -1.735 7.261 -5.390 1.00 0.00 C +ATOM 654 O ALA A 47 -1.863 7.306 -6.611 1.00 0.00 O +ATOM 655 CB ALA A 47 0.136 7.769 -3.850 1.00 0.00 C +ATOM 656 H ALA A 47 -1.680 9.070 -2.884 1.00 0.00 H +ATOM 657 HA ALA A 47 -0.719 9.034 -5.251 1.00 0.00 H +ATOM 658 HB1 ALA A 47 0.738 7.326 -4.469 1.00 0.00 H +ATOM 659 HB2 ALA A 47 0.613 8.474 -3.385 1.00 0.00 H +ATOM 660 HB3 ALA A 47 -0.196 7.125 -3.205 1.00 0.00 H +ATOM 661 N VAL A 48 -2.205 6.290 -4.636 1.00 0.00 N +ATOM 662 CA VAL A 48 -2.888 5.126 -5.159 1.00 0.00 C +ATOM 663 C VAL A 48 -4.141 5.486 -5.941 1.00 0.00 C +ATOM 664 O VAL A 48 -4.616 4.702 -6.764 1.00 0.00 O +ATOM 665 CB VAL A 48 -3.243 4.196 -4.008 1.00 0.00 C +ATOM 666 CG1 VAL A 48 -2.005 3.899 -3.182 1.00 0.00 C +ATOM 667 CG2 VAL A 48 -4.334 4.789 -3.153 1.00 0.00 C +ATOM 668 H VAL A 48 -2.134 6.288 -3.779 1.00 0.00 H +ATOM 669 HA VAL A 48 -2.286 4.684 -5.779 1.00 0.00 H +ATOM 670 HB VAL A 48 -3.578 3.363 -4.374 1.00 0.00 H +ATOM 671 HG11 VAL A 48 -2.238 3.306 -2.451 1.00 0.00 H +ATOM 672 HG12 VAL A 48 -1.337 3.474 -3.742 1.00 0.00 H +ATOM 673 HG13 VAL A 48 -1.648 4.727 -2.825 1.00 0.00 H +ATOM 674 HG21 VAL A 48 -4.544 4.180 -2.427 1.00 0.00 H +ATOM 675 HG22 VAL A 48 -4.035 5.636 -2.788 1.00 0.00 H +ATOM 676 HG23 VAL A 48 -5.127 4.932 -3.693 1.00 0.00 H +ATOM 677 N LYS A 49 -4.672 6.669 -5.683 1.00 0.00 N +ATOM 678 CA LYS A 49 -5.868 7.124 -6.366 1.00 0.00 C +ATOM 679 C LYS A 49 -5.588 7.414 -7.825 1.00 0.00 C +ATOM 680 O LYS A 49 -6.350 7.036 -8.715 1.00 0.00 O +ATOM 681 CB LYS A 49 -6.405 8.356 -5.703 1.00 0.00 C +ATOM 682 CG LYS A 49 -7.164 7.991 -4.481 1.00 0.00 C +ATOM 683 CD LYS A 49 -8.541 8.583 -4.482 1.00 0.00 C +ATOM 684 CE LYS A 49 -9.063 8.493 -3.089 1.00 0.00 C +ATOM 685 NZ LYS A 49 -10.059 9.553 -2.770 1.00 0.00 N +ATOM 686 H LYS A 49 -4.352 7.227 -5.112 1.00 0.00 H +ATOM 687 HA LYS A 49 -6.528 6.415 -6.315 1.00 0.00 H +ATOM 688 HB2 LYS A 49 -5.675 8.952 -5.473 1.00 0.00 H +ATOM 689 HB3 LYS A 49 -6.981 8.837 -6.318 1.00 0.00 H +ATOM 690 HG2 LYS A 49 -7.227 7.025 -4.416 1.00 0.00 H +ATOM 691 HG3 LYS A 49 -6.681 8.297 -3.697 1.00 0.00 H +ATOM 692 HD2 LYS A 49 -8.516 9.506 -4.779 1.00 0.00 H +ATOM 693 HD3 LYS A 49 -9.119 8.103 -5.096 1.00 0.00 H +ATOM 694 HE2 LYS A 49 -9.471 7.623 -2.958 1.00 0.00 H +ATOM 695 HE3 LYS A 49 -8.322 8.555 -2.467 1.00 0.00 H +ATOM 696 HZ1 LYS A 49 -10.455 9.365 -1.995 1.00 0.00 H +ATOM 697 HZ2 LYS A 49 -9.647 10.339 -2.709 1.00 0.00 H +ATOM 698 HZ3 LYS A 49 -10.672 9.589 -3.415 1.00 0.00 H +ATOM 699 N THR A 50 -4.473 8.093 -8.049 1.00 0.00 N +ATOM 700 CA THR A 50 -4.062 8.483 -9.390 1.00 0.00 C +ATOM 701 C THR A 50 -3.253 7.408 -10.122 1.00 0.00 C +ATOM 702 O THR A 50 -3.383 7.278 -11.339 1.00 0.00 O +ATOM 703 CB THR A 50 -3.249 9.792 -9.365 1.00 0.00 C +ATOM 704 OG1 THR A 50 -2.622 10.006 -10.635 1.00 0.00 O +ATOM 705 CG2 THR A 50 -2.195 9.760 -8.270 1.00 0.00 C +ATOM 706 H THR A 50 -3.932 8.341 -7.428 1.00 0.00 H +ATOM 707 HA THR A 50 -4.889 8.612 -9.881 1.00 0.00 H +ATOM 708 HB THR A 50 -3.860 10.522 -9.180 1.00 0.00 H +ATOM 709 HG1 THR A 50 -2.076 10.642 -10.575 1.00 0.00 H +ATOM 710 HG21 THR A 50 -1.698 10.593 -8.275 1.00 0.00 H +ATOM 711 HG22 THR A 50 -2.626 9.646 -7.409 1.00 0.00 H +ATOM 712 HG23 THR A 50 -1.587 9.020 -8.427 1.00 0.00 H +ATOM 713 N TYR A 51 -2.421 6.632 -9.414 1.00 0.00 N +ATOM 714 CA TYR A 51 -1.622 5.619 -10.107 1.00 0.00 C +ATOM 715 C TYR A 51 -2.110 4.181 -9.860 1.00 0.00 C +ATOM 716 O TYR A 51 -3.244 3.961 -9.435 1.00 0.00 O +ATOM 717 CB TYR A 51 -0.118 5.805 -9.827 1.00 0.00 C +ATOM 718 CG TYR A 51 0.463 4.959 -8.724 1.00 0.00 C +ATOM 719 CD1 TYR A 51 -0.029 5.042 -7.442 1.00 0.00 C +ATOM 720 CD2 TYR A 51 1.525 4.097 -8.971 1.00 0.00 C +ATOM 721 CE1 TYR A 51 0.514 4.289 -6.420 1.00 0.00 C +ATOM 722 CE2 TYR A 51 2.073 3.334 -7.961 1.00 0.00 C +ATOM 723 CZ TYR A 51 1.565 3.434 -6.686 1.00 0.00 C +ATOM 724 OH TYR A 51 2.111 2.679 -5.673 1.00 0.00 O +ATOM 725 H TYR A 51 -2.308 6.674 -8.562 1.00 0.00 H +ATOM 726 HA TYR A 51 -1.754 5.762 -11.057 1.00 0.00 H +ATOM 727 HB2 TYR A 51 0.370 5.617 -10.644 1.00 0.00 H +ATOM 728 HB3 TYR A 51 0.039 6.738 -9.611 1.00 0.00 H +ATOM 729 HD1 TYR A 51 -0.739 5.615 -7.261 1.00 0.00 H +ATOM 730 HD2 TYR A 51 1.872 4.034 -9.832 1.00 0.00 H +ATOM 731 HE1 TYR A 51 0.174 4.357 -5.557 1.00 0.00 H +ATOM 732 HE2 TYR A 51 2.780 2.757 -8.140 1.00 0.00 H +ATOM 733 HH TYR A 51 1.735 2.871 -4.947 1.00 0.00 H +ATOM 734 N LYS A 52 -1.234 3.216 -10.133 1.00 0.00 N +ATOM 735 CA LYS A 52 -1.557 1.788 -10.047 1.00 0.00 C +ATOM 736 C LYS A 52 -1.994 1.312 -8.663 1.00 0.00 C +ATOM 737 O LYS A 52 -3.147 0.921 -8.477 1.00 0.00 O +ATOM 738 CB LYS A 52 -0.359 0.973 -10.505 1.00 0.00 C +ATOM 739 CG LYS A 52 0.082 1.299 -11.910 1.00 0.00 C +ATOM 740 CD LYS A 52 -0.585 0.409 -12.939 1.00 0.00 C +ATOM 741 CE LYS A 52 -0.121 -1.032 -12.827 1.00 0.00 C +ATOM 742 NZ LYS A 52 1.363 -1.147 -12.881 1.00 0.00 N +ATOM 743 H LYS A 52 -0.424 3.372 -10.377 1.00 0.00 H +ATOM 744 HA LYS A 52 -2.323 1.655 -10.626 1.00 0.00 H +ATOM 745 HB2 LYS A 52 0.381 1.127 -9.897 1.00 0.00 H +ATOM 746 HB3 LYS A 52 -0.578 0.030 -10.452 1.00 0.00 H +ATOM 747 HG2 LYS A 52 -0.124 2.227 -12.105 1.00 0.00 H +ATOM 748 HG3 LYS A 52 1.045 1.202 -11.976 1.00 0.00 H +ATOM 749 HD2 LYS A 52 -1.547 0.448 -12.825 1.00 0.00 H +ATOM 750 HD3 LYS A 52 -0.391 0.743 -13.829 1.00 0.00 H +ATOM 751 HE2 LYS A 52 -0.444 -1.411 -11.994 1.00 0.00 H +ATOM 752 HE3 LYS A 52 -0.511 -1.553 -13.546 1.00 0.00 H +ATOM 753 HZ1 LYS A 52 1.589 -1.986 -13.075 1.00 0.00 H +ATOM 754 HZ2 LYS A 52 1.681 -0.602 -13.509 1.00 0.00 H +ATOM 755 HZ3 LYS A 52 1.707 -0.922 -12.092 1.00 0.00 H +ATOM 756 N TRP A 53 -1.058 1.331 -7.713 1.00 0.00 N +ATOM 757 CA TRP A 53 -1.296 0.851 -6.346 1.00 0.00 C +ATOM 758 C TRP A 53 -1.198 -0.671 -6.311 1.00 0.00 C +ATOM 759 O TRP A 53 -0.377 -1.222 -5.583 1.00 0.00 O +ATOM 760 CB TRP A 53 -2.646 1.323 -5.769 1.00 0.00 C +ATOM 761 CG TRP A 53 -3.034 0.632 -4.495 1.00 0.00 C +ATOM 762 CD1 TRP A 53 -2.498 0.825 -3.259 1.00 0.00 C +ATOM 763 CD2 TRP A 53 -4.049 -0.359 -4.337 1.00 0.00 C +ATOM 764 NE1 TRP A 53 -3.122 0.025 -2.340 1.00 0.00 N +ATOM 765 CE2 TRP A 53 -4.076 -0.713 -2.976 1.00 0.00 C +ATOM 766 CE3 TRP A 53 -4.937 -0.977 -5.212 1.00 0.00 C +ATOM 767 CZ2 TRP A 53 -4.958 -1.655 -2.470 1.00 0.00 C +ATOM 768 CZ3 TRP A 53 -5.816 -1.919 -4.709 1.00 0.00 C +ATOM 769 CH2 TRP A 53 -5.823 -2.249 -3.347 1.00 0.00 C +ATOM 770 H TRP A 53 -0.260 1.625 -7.843 1.00 0.00 H +ATOM 771 HA TRP A 53 -0.609 1.237 -5.781 1.00 0.00 H +ATOM 772 HB2 TRP A 53 -2.603 2.279 -5.609 1.00 0.00 H +ATOM 773 HB3 TRP A 53 -3.340 1.177 -6.431 1.00 0.00 H +ATOM 774 HD1 TRP A 53 -1.806 1.416 -3.066 1.00 0.00 H +ATOM 775 HE1 TRP A 53 -2.942 -0.007 -1.500 1.00 0.00 H +ATOM 776 HE3 TRP A 53 -4.939 -0.761 -6.117 1.00 0.00 H +ATOM 777 HZ2 TRP A 53 -4.961 -1.875 -1.566 1.00 0.00 H +ATOM 778 HZ3 TRP A 53 -6.413 -2.341 -5.284 1.00 0.00 H +ATOM 779 HH2 TRP A 53 -6.427 -2.883 -3.034 1.00 0.00 H +ATOM 780 N GLN A 54 -2.018 -1.340 -7.123 1.00 0.00 N +ATOM 781 CA GLN A 54 -2.023 -2.804 -7.194 1.00 0.00 C +ATOM 782 C GLN A 54 -2.242 -3.418 -5.821 1.00 0.00 C +ATOM 783 O GLN A 54 -1.418 -3.253 -4.929 1.00 0.00 O +ATOM 784 CB GLN A 54 -0.701 -3.332 -7.768 1.00 0.00 C +ATOM 785 CG GLN A 54 -0.193 -2.538 -8.962 1.00 0.00 C +ATOM 786 CD GLN A 54 1.182 -2.984 -9.422 1.00 0.00 C +ATOM 787 OE1 GLN A 54 1.503 -2.918 -10.608 1.00 0.00 O +ATOM 788 NE2 GLN A 54 2.006 -3.436 -8.483 1.00 0.00 N +ATOM 789 H GLN A 54 -2.585 -0.960 -7.646 1.00 0.00 H +ATOM 790 HA GLN A 54 -2.753 -3.058 -7.780 1.00 0.00 H +ATOM 791 HB2 GLN A 54 -0.027 -3.319 -7.071 1.00 0.00 H +ATOM 792 HB3 GLN A 54 -0.819 -4.258 -8.032 1.00 0.00 H +ATOM 793 HG2 GLN A 54 -0.820 -2.629 -9.696 1.00 0.00 H +ATOM 794 HG3 GLN A 54 -0.162 -1.597 -8.730 1.00 0.00 H +ATOM 795 HE21 GLN A 54 1.748 -3.468 -7.663 1.00 0.00 H +ATOM 796 HE22 GLN A 54 2.798 -3.696 -8.695 1.00 0.00 H +ATOM 797 N CYS A 55 -3.350 -4.130 -5.649 1.00 0.00 N +ATOM 798 CA CYS A 55 -3.627 -4.775 -4.376 1.00 0.00 C +ATOM 799 C CYS A 55 -2.408 -5.572 -3.945 1.00 0.00 C +ATOM 800 O CYS A 55 -1.535 -5.879 -4.757 1.00 0.00 O +ATOM 801 CB CYS A 55 -4.858 -5.677 -4.465 1.00 0.00 C +ATOM 802 SG CYS A 55 -4.521 -7.348 -5.099 1.00 0.00 S +ATOM 803 H CYS A 55 -3.950 -4.250 -6.254 1.00 0.00 H +ATOM 804 HA CYS A 55 -3.818 -4.092 -3.714 1.00 0.00 H +ATOM 805 HB2 CYS A 55 -5.255 -5.752 -3.583 1.00 0.00 H +ATOM 806 HB3 CYS A 55 -5.516 -5.252 -5.037 1.00 0.00 H +ATOM 807 N ILE A 56 -2.359 -5.919 -2.678 1.00 0.00 N +ATOM 808 CA ILE A 56 -1.218 -6.632 -2.141 1.00 0.00 C +ATOM 809 C ILE A 56 -1.059 -8.024 -2.740 1.00 0.00 C +ATOM 810 O ILE A 56 0.040 -8.579 -2.754 1.00 0.00 O +ATOM 811 CB ILE A 56 -1.308 -6.723 -0.618 1.00 0.00 C +ATOM 812 CG1 ILE A 56 -0.147 -7.506 -0.044 1.00 0.00 C +ATOM 813 CG2 ILE A 56 -2.600 -7.387 -0.223 1.00 0.00 C +ATOM 814 CD1 ILE A 56 1.218 -7.001 -0.405 1.00 0.00 C +ATOM 815 H ILE A 56 -2.979 -5.751 -2.106 1.00 0.00 H +ATOM 816 HA ILE A 56 -0.431 -6.122 -2.388 1.00 0.00 H +ATOM 817 HB ILE A 56 -1.276 -5.821 -0.262 1.00 0.00 H +ATOM 818 HG12 ILE A 56 -0.227 -7.510 0.923 1.00 0.00 H +ATOM 819 HG13 ILE A 56 -0.222 -8.427 -0.339 1.00 0.00 H +ATOM 820 HG21 ILE A 56 -2.653 -7.443 0.744 1.00 0.00 H +ATOM 821 HG22 ILE A 56 -3.347 -6.867 -0.558 1.00 0.00 H +ATOM 822 HG23 ILE A 56 -2.634 -8.280 -0.600 1.00 0.00 H +ATOM 823 HD11 ILE A 56 1.891 -7.565 0.007 1.00 0.00 H +ATOM 824 HD12 ILE A 56 1.326 -7.021 -1.369 1.00 0.00 H +ATOM 825 HD13 ILE A 56 1.321 -6.090 -0.088 1.00 0.00 H +ATOM 826 N GLU A 57 -2.146 -8.589 -3.239 1.00 0.00 N +ATOM 827 CA GLU A 57 -2.090 -9.910 -3.828 1.00 0.00 C +ATOM 828 C GLU A 57 -1.363 -9.883 -5.174 1.00 0.00 C +ATOM 829 O GLU A 57 -0.888 -10.913 -5.652 1.00 0.00 O +ATOM 830 CB GLU A 57 -3.495 -10.485 -3.986 1.00 0.00 C +ATOM 831 CG GLU A 57 -4.326 -10.409 -2.716 1.00 0.00 C +ATOM 832 CD GLU A 57 -5.587 -11.247 -2.794 1.00 0.00 C +ATOM 833 OE1 GLU A 57 -6.571 -10.782 -3.403 1.00 0.00 O +ATOM 834 OE2 GLU A 57 -5.588 -12.369 -2.246 1.00 0.00 O +ATOM 835 H GLU A 57 -2.924 -8.223 -3.246 1.00 0.00 H +ATOM 836 HA GLU A 57 -1.587 -10.485 -3.230 1.00 0.00 H +ATOM 837 HB2 GLU A 57 -3.955 -10.007 -4.694 1.00 0.00 H +ATOM 838 HB3 GLU A 57 -3.428 -11.411 -4.266 1.00 0.00 H +ATOM 839 HG2 GLU A 57 -3.790 -10.707 -1.964 1.00 0.00 H +ATOM 840 HG3 GLU A 57 -4.566 -9.485 -2.545 1.00 0.00 H +ATOM 841 N CYS A 58 -1.280 -8.698 -5.779 1.00 0.00 N +ATOM 842 CA CYS A 58 -0.603 -8.534 -7.063 1.00 0.00 C +ATOM 843 C CYS A 58 0.655 -7.685 -6.904 1.00 0.00 C +ATOM 844 O CYS A 58 1.294 -7.307 -7.887 1.00 0.00 O +ATOM 845 CB CYS A 58 -1.531 -7.870 -8.070 1.00 0.00 C +ATOM 846 SG CYS A 58 -3.129 -8.717 -8.312 1.00 0.00 S +ATOM 847 H CYS A 58 -1.612 -7.972 -5.459 1.00 0.00 H +ATOM 848 HA CYS A 58 -0.354 -9.415 -7.385 1.00 0.00 H +ATOM 849 HB2 CYS A 58 -1.702 -6.960 -7.782 1.00 0.00 H +ATOM 850 HB3 CYS A 58 -1.075 -7.816 -8.924 1.00 0.00 H +ATOM 851 N LYS A 59 0.973 -7.374 -5.653 1.00 0.00 N +ATOM 852 CA LYS A 59 2.131 -6.582 -5.281 1.00 0.00 C +ATOM 853 C LYS A 59 3.370 -6.867 -6.125 1.00 0.00 C +ATOM 854 O LYS A 59 3.451 -7.868 -6.836 1.00 0.00 O +ATOM 855 CB LYS A 59 2.466 -6.885 -3.840 1.00 0.00 C +ATOM 856 CG LYS A 59 2.938 -5.679 -3.107 1.00 0.00 C +ATOM 857 CD LYS A 59 1.778 -4.976 -2.476 1.00 0.00 C +ATOM 858 CE LYS A 59 1.140 -3.976 -3.383 1.00 0.00 C +ATOM 859 NZ LYS A 59 -0.124 -3.447 -2.810 1.00 0.00 N +ATOM 860 H LYS A 59 0.504 -7.627 -4.978 1.00 0.00 H +ATOM 861 HA LYS A 59 1.896 -5.652 -5.425 1.00 0.00 H +ATOM 862 HB2 LYS A 59 1.682 -7.245 -3.396 1.00 0.00 H +ATOM 863 HB3 LYS A 59 3.151 -7.571 -3.806 1.00 0.00 H +ATOM 864 HG2 LYS A 59 3.579 -5.936 -2.426 1.00 0.00 H +ATOM 865 HG3 LYS A 59 3.396 -5.080 -3.717 1.00 0.00 H +ATOM 866 HD2 LYS A 59 1.115 -5.632 -2.208 1.00 0.00 H +ATOM 867 HD3 LYS A 59 2.077 -4.529 -1.669 1.00 0.00 H +ATOM 868 HE2 LYS A 59 1.756 -3.243 -3.542 1.00 0.00 H +ATOM 869 HE3 LYS A 59 0.959 -4.387 -4.243 1.00 0.00 H +ATOM 870 HZ1 LYS A 59 -0.651 -3.161 -3.467 1.00 0.00 H +ATOM 871 HZ2 LYS A 59 -0.538 -4.092 -2.358 1.00 0.00 H +ATOM 872 HZ3 LYS A 59 0.059 -2.771 -2.261 1.00 0.00 H +ATOM 873 N SER A 60 4.346 -5.971 -6.003 1.00 0.00 N +ATOM 874 CA SER A 60 5.619 -6.097 -6.704 1.00 0.00 C +ATOM 875 C SER A 60 6.571 -4.988 -6.304 1.00 0.00 C +ATOM 876 O SER A 60 6.163 -3.939 -5.804 1.00 0.00 O +ATOM 877 CB SER A 60 5.455 -6.099 -8.217 1.00 0.00 C +ATOM 878 OG SER A 60 4.147 -5.716 -8.604 1.00 0.00 O +ATOM 879 H SER A 60 4.287 -5.270 -5.509 1.00 0.00 H +ATOM 880 HA SER A 60 5.989 -6.955 -6.442 1.00 0.00 H +ATOM 881 HB2 SER A 60 6.100 -5.493 -8.613 1.00 0.00 H +ATOM 882 HB3 SER A 60 5.648 -6.985 -8.562 1.00 0.00 H +ATOM 883 HG SER A 60 4.088 -5.726 -9.442 1.00 0.00 H +ATOM 884 N CYS A 61 7.843 -5.243 -6.535 1.00 0.00 N +ATOM 885 CA CYS A 61 8.900 -4.306 -6.213 1.00 0.00 C +ATOM 886 C CYS A 61 9.047 -3.235 -7.288 1.00 0.00 C +ATOM 887 O CYS A 61 9.610 -3.498 -8.340 1.00 0.00 O +ATOM 888 CB CYS A 61 10.206 -5.073 -6.108 1.00 0.00 C +ATOM 889 SG CYS A 61 11.615 -4.138 -5.416 1.00 0.00 S +ATOM 890 H CYS A 61 8.122 -5.976 -6.888 1.00 0.00 H +ATOM 891 HA CYS A 61 8.679 -3.868 -5.376 1.00 0.00 H +ATOM 892 HB2 CYS A 61 10.058 -5.858 -5.558 1.00 0.00 H +ATOM 893 HB3 CYS A 61 10.450 -5.388 -6.993 1.00 0.00 H +ATOM 894 N ILE A 62 8.544 -2.031 -7.041 1.00 0.00 N +ATOM 895 CA ILE A 62 8.705 -0.947 -8.012 1.00 0.00 C +ATOM 896 C ILE A 62 10.140 -0.986 -8.520 1.00 0.00 C +ATOM 897 O ILE A 62 10.438 -0.614 -9.656 1.00 0.00 O +ATOM 898 CB ILE A 62 8.416 0.435 -7.374 1.00 0.00 C +ATOM 899 CG1 ILE A 62 9.481 1.468 -7.774 1.00 0.00 C +ATOM 900 CG2 ILE A 62 8.347 0.288 -5.878 1.00 0.00 C +ATOM 901 CD1 ILE A 62 9.414 2.757 -7.004 1.00 0.00 C +ATOM 902 H ILE A 62 8.111 -1.819 -6.328 1.00 0.00 H +ATOM 903 HA ILE A 62 8.073 -1.070 -8.737 1.00 0.00 H +ATOM 904 HB ILE A 62 7.563 0.760 -7.703 1.00 0.00 H +ATOM 905 HG12 ILE A 62 10.359 1.075 -7.651 1.00 0.00 H +ATOM 906 HG13 ILE A 62 9.388 1.663 -8.720 1.00 0.00 H +ATOM 907 HG21 ILE A 62 8.166 1.152 -5.476 1.00 0.00 H +ATOM 908 HG22 ILE A 62 7.637 -0.331 -5.646 1.00 0.00 H +ATOM 909 HG23 ILE A 62 9.193 -0.052 -5.547 1.00 0.00 H +ATOM 910 HD11 ILE A 62 10.114 3.354 -7.311 1.00 0.00 H +ATOM 911 HD12 ILE A 62 8.549 3.173 -7.144 1.00 0.00 H +ATOM 912 HD13 ILE A 62 9.536 2.576 -6.059 1.00 0.00 H +ATOM 913 N LEU A 63 11.016 -1.453 -7.636 1.00 0.00 N +ATOM 914 CA LEU A 63 12.430 -1.593 -7.924 1.00 0.00 C +ATOM 915 C LEU A 63 12.657 -2.782 -8.863 1.00 0.00 C +ATOM 916 O LEU A 63 13.242 -2.632 -9.935 1.00 0.00 O +ATOM 917 CB LEU A 63 13.189 -1.746 -6.599 1.00 0.00 C +ATOM 918 CG LEU A 63 12.777 -0.769 -5.474 1.00 0.00 C +ATOM 919 CD1 LEU A 63 13.934 -0.474 -4.550 1.00 0.00 C +ATOM 920 CD2 LEU A 63 12.227 0.539 -5.995 1.00 0.00 C +ATOM 921 H LEU A 63 10.798 -1.700 -6.842 1.00 0.00 H +ATOM 922 HA LEU A 63 12.766 -0.805 -8.378 1.00 0.00 H +ATOM 923 HB2 LEU A 63 13.067 -2.653 -6.278 1.00 0.00 H +ATOM 924 HB3 LEU A 63 14.136 -1.632 -6.773 1.00 0.00 H +ATOM 925 HG LEU A 63 12.070 -1.222 -4.988 1.00 0.00 H +ATOM 926 HD11 LEU A 63 13.646 0.140 -3.856 1.00 0.00 H +ATOM 927 HD12 LEU A 63 14.242 -1.299 -4.143 1.00 0.00 H +ATOM 928 HD13 LEU A 63 14.658 -0.073 -5.056 1.00 0.00 H +ATOM 929 HD21 LEU A 63 11.986 1.109 -5.248 1.00 0.00 H +ATOM 930 HD22 LEU A 63 12.900 0.981 -6.535 1.00 0.00 H +ATOM 931 HD23 LEU A 63 11.441 0.367 -6.536 1.00 0.00 H +ATOM 932 N CYS A 64 12.192 -3.963 -8.452 1.00 0.00 N +ATOM 933 CA CYS A 64 12.298 -5.165 -9.284 1.00 0.00 C +ATOM 934 C CYS A 64 11.065 -5.304 -10.162 1.00 0.00 C +ATOM 935 O CYS A 64 11.148 -5.304 -11.391 1.00 0.00 O +ATOM 936 CB CYS A 64 12.404 -6.439 -8.443 1.00 0.00 C +ATOM 937 SG CYS A 64 13.864 -6.550 -7.376 1.00 0.00 S +ATOM 938 H CYS A 64 11.810 -4.090 -7.692 1.00 0.00 H +ATOM 939 HA CYS A 64 13.102 -5.062 -9.817 1.00 0.00 H +ATOM 940 HB2 CYS A 64 11.611 -6.509 -7.888 1.00 0.00 H +ATOM 941 HB3 CYS A 64 12.400 -7.203 -9.040 1.00 0.00 H +ATOM 942 N GLY A 65 9.918 -5.421 -9.501 1.00 0.00 N +ATOM 943 CA GLY A 65 8.664 -5.592 -10.190 1.00 0.00 C +ATOM 944 C GLY A 65 8.384 -7.056 -10.376 1.00 0.00 C +ATOM 945 O GLY A 65 7.797 -7.468 -11.378 1.00 0.00 O +ATOM 946 H GLY A 65 9.853 -5.403 -8.644 1.00 0.00 H +ATOM 947 HA2 GLY A 65 7.948 -5.179 -9.683 1.00 0.00 H +ATOM 948 HA3 GLY A 65 8.695 -5.148 -11.052 1.00 0.00 H +ATOM 949 N THR A 66 8.811 -7.850 -9.396 1.00 0.00 N +ATOM 950 CA THR A 66 8.648 -9.286 -9.473 1.00 0.00 C +ATOM 951 C THR A 66 8.004 -9.862 -8.222 1.00 0.00 C +ATOM 952 O THR A 66 7.583 -11.019 -8.206 1.00 0.00 O +ATOM 953 CB THR A 66 10.012 -9.930 -9.670 1.00 0.00 C +ATOM 954 OG1 THR A 66 9.883 -11.340 -9.864 1.00 0.00 O +ATOM 955 CG2 THR A 66 10.916 -9.619 -8.493 1.00 0.00 C +ATOM 956 H THR A 66 9.197 -7.570 -8.680 1.00 0.00 H +ATOM 957 HA THR A 66 8.061 -9.476 -10.221 1.00 0.00 H +ATOM 958 HB THR A 66 10.417 -9.558 -10.469 1.00 0.00 H +ATOM 959 HG1 THR A 66 10.606 -11.650 -10.159 1.00 0.00 H +ATOM 960 HG21 THR A 66 11.781 -10.035 -8.631 1.00 0.00 H +ATOM 961 HG22 THR A 66 11.028 -8.659 -8.416 1.00 0.00 H +ATOM 962 HG23 THR A 66 10.518 -9.964 -7.679 1.00 0.00 H +ATOM 963 N SER A 67 7.942 -9.045 -7.178 1.00 0.00 N +ATOM 964 CA SER A 67 7.371 -9.453 -5.901 1.00 0.00 C +ATOM 965 C SER A 67 7.984 -10.765 -5.411 1.00 0.00 C +ATOM 966 O SER A 67 7.440 -11.414 -4.521 1.00 0.00 O +ATOM 967 CB SER A 67 5.845 -9.586 -5.984 1.00 0.00 C +ATOM 968 OG SER A 67 5.445 -10.329 -7.122 1.00 0.00 O +ATOM 969 H SER A 67 8.231 -8.235 -7.190 1.00 0.00 H +ATOM 970 HA SER A 67 7.583 -8.755 -5.261 1.00 0.00 H +ATOM 971 HB2 SER A 67 5.514 -10.019 -5.182 1.00 0.00 H +ATOM 972 HB3 SER A 67 5.444 -8.703 -6.016 1.00 0.00 H +ATOM 973 HG SER A 67 6.020 -10.919 -7.288 1.00 0.00 H +ATOM 974 N GLU A 68 9.117 -11.150 -6.001 1.00 0.00 N +ATOM 975 CA GLU A 68 9.802 -12.389 -5.623 1.00 0.00 C +ATOM 976 C GLU A 68 10.020 -12.495 -4.118 1.00 0.00 C +ATOM 977 O GLU A 68 9.259 -13.159 -3.413 1.00 0.00 O +ATOM 978 CB GLU A 68 11.150 -12.486 -6.327 1.00 0.00 C +ATOM 979 CG GLU A 68 11.043 -12.835 -7.785 1.00 0.00 C +ATOM 980 CD GLU A 68 10.841 -14.318 -8.024 1.00 0.00 C +ATOM 981 OE1 GLU A 68 9.678 -14.772 -7.988 1.00 0.00 O +ATOM 982 OE2 GLU A 68 11.846 -15.025 -8.248 1.00 0.00 O +ATOM 983 H GLU A 68 9.507 -10.706 -6.625 1.00 0.00 H +ATOM 984 HA GLU A 68 9.227 -13.120 -5.897 1.00 0.00 H +ATOM 985 HB2 GLU A 68 11.615 -11.639 -6.238 1.00 0.00 H +ATOM 986 HB3 GLU A 68 11.692 -13.155 -5.881 1.00 0.00 H +ATOM 987 HG2 GLU A 68 10.303 -12.345 -8.176 1.00 0.00 H +ATOM 988 HG3 GLU A 68 11.848 -12.545 -8.242 1.00 0.00 H +ATOM 989 N ASN A 69 11.068 -11.837 -3.636 1.00 0.00 N +ATOM 990 CA ASN A 69 11.420 -11.876 -2.223 1.00 0.00 C +ATOM 991 C ASN A 69 10.547 -10.961 -1.374 1.00 0.00 C +ATOM 992 O ASN A 69 11.058 -10.296 -0.491 1.00 0.00 O +ATOM 993 CB ASN A 69 12.887 -11.503 -2.039 1.00 0.00 C +ATOM 994 CG ASN A 69 13.796 -12.195 -3.024 1.00 0.00 C +ATOM 995 OD1 ASN A 69 14.218 -13.333 -2.814 1.00 0.00 O +ATOM 996 ND2 ASN A 69 14.113 -11.498 -4.106 1.00 0.00 N +ATOM 997 H ASN A 69 11.594 -11.356 -4.118 1.00 0.00 H +ATOM 998 HA ASN A 69 11.267 -12.784 -1.919 1.00 0.00 H +ATOM 999 HB2 ASN A 69 12.986 -10.543 -2.134 1.00 0.00 H +ATOM 1000 HB3 ASN A 69 13.163 -11.729 -1.137 1.00 0.00 H +ATOM 1001 HD21 ASN A 69 14.635 -11.838 -4.699 1.00 0.00 H +ATOM 1002 HD22 ASN A 69 13.797 -10.706 -4.215 1.00 0.00 H +ATOM 1003 N ASP A 70 9.240 -10.919 -1.648 1.00 0.00 N +ATOM 1004 CA ASP A 70 8.313 -10.096 -0.879 1.00 0.00 C +ATOM 1005 C ASP A 70 8.580 -10.146 0.617 1.00 0.00 C +ATOM 1006 O ASP A 70 8.145 -9.267 1.362 1.00 0.00 O +ATOM 1007 CB ASP A 70 6.877 -10.490 -1.171 1.00 0.00 C +ATOM 1008 CG ASP A 70 6.701 -11.990 -1.300 1.00 0.00 C +ATOM 1009 OD1 ASP A 70 6.767 -12.686 -0.264 1.00 0.00 O +ATOM 1010 OD2 ASP A 70 6.499 -12.471 -2.433 1.00 0.00 O +ATOM 1011 H ASP A 70 8.871 -11.366 -2.283 1.00 0.00 H +ATOM 1012 HA ASP A 70 8.458 -9.179 -1.162 1.00 0.00 H +ATOM 1013 HB2 ASP A 70 6.304 -10.160 -0.462 1.00 0.00 H +ATOM 1014 HB3 ASP A 70 6.588 -10.062 -1.992 1.00 0.00 H +ATOM 1015 N ASP A 71 9.294 -11.170 1.055 1.00 0.00 N +ATOM 1016 CA ASP A 71 9.641 -11.301 2.462 1.00 0.00 C +ATOM 1017 C ASP A 71 10.521 -10.125 2.865 1.00 0.00 C +ATOM 1018 O ASP A 71 10.794 -9.902 4.044 1.00 0.00 O +ATOM 1019 CB ASP A 71 10.365 -12.622 2.720 1.00 0.00 C +ATOM 1020 CG ASP A 71 9.486 -13.825 2.437 1.00 0.00 C +ATOM 1021 OD1 ASP A 71 8.667 -14.180 3.311 1.00 0.00 O +ATOM 1022 OD2 ASP A 71 9.615 -14.411 1.342 1.00 0.00 O +ATOM 1023 H ASP A 71 9.589 -11.803 0.553 1.00 0.00 H +ATOM 1024 HA ASP A 71 8.830 -11.299 2.994 1.00 0.00 H +ATOM 1025 HB2 ASP A 71 11.159 -12.667 2.165 1.00 0.00 H +ATOM 1026 HB3 ASP A 71 10.662 -12.651 3.643 1.00 0.00 H +ATOM 1027 N GLN A 72 10.958 -9.379 1.853 1.00 0.00 N +ATOM 1028 CA GLN A 72 11.793 -8.216 2.039 1.00 0.00 C +ATOM 1029 C GLN A 72 11.100 -6.997 1.462 1.00 0.00 C +ATOM 1030 O GLN A 72 11.414 -5.866 1.807 1.00 0.00 O +ATOM 1031 CB GLN A 72 13.133 -8.419 1.351 1.00 0.00 C +ATOM 1032 CG GLN A 72 13.487 -9.880 1.176 1.00 0.00 C +ATOM 1033 CD GLN A 72 14.967 -10.117 1.040 1.00 0.00 C +ATOM 1034 OE1 GLN A 72 15.405 -11.023 0.331 1.00 0.00 O +ATOM 1035 NE2 GLN A 72 15.747 -9.309 1.735 1.00 0.00 N +ATOM 1036 H GLN A 72 10.770 -9.544 1.030 1.00 0.00 H +ATOM 1037 HA GLN A 72 11.945 -8.083 2.988 1.00 0.00 H +ATOM 1038 HB2 GLN A 72 13.114 -7.989 0.482 1.00 0.00 H +ATOM 1039 HB3 GLN A 72 13.827 -7.982 1.869 1.00 0.00 H +ATOM 1040 HG2 GLN A 72 13.153 -10.381 1.936 1.00 0.00 H +ATOM 1041 HG3 GLN A 72 13.036 -10.224 0.389 1.00 0.00 H +ATOM 1042 HE21 GLN A 72 15.401 -8.688 2.219 1.00 0.00 H +ATOM 1043 HE22 GLN A 72 16.601 -9.404 1.704 1.00 0.00 H +ATOM 1044 N LEU A 73 10.147 -7.230 0.577 1.00 0.00 N +ATOM 1045 CA LEU A 73 9.428 -6.146 -0.033 1.00 0.00 C +ATOM 1046 C LEU A 73 8.896 -5.215 1.021 1.00 0.00 C +ATOM 1047 O LEU A 73 8.443 -5.633 2.086 1.00 0.00 O +ATOM 1048 CB LEU A 73 8.315 -6.674 -0.911 1.00 0.00 C +ATOM 1049 CG LEU A 73 8.797 -7.187 -2.261 1.00 0.00 C +ATOM 1050 CD1 LEU A 73 7.637 -7.656 -3.084 1.00 0.00 C +ATOM 1051 CD2 LEU A 73 9.563 -6.121 -2.999 1.00 0.00 C +ATOM 1052 H LEU A 73 9.905 -8.014 0.319 1.00 0.00 H +ATOM 1053 HA LEU A 73 10.038 -5.645 -0.597 1.00 0.00 H +ATOM 1054 HB2 LEU A 73 7.858 -7.392 -0.445 1.00 0.00 H +ATOM 1055 HB3 LEU A 73 7.664 -5.969 -1.055 1.00 0.00 H +ATOM 1056 HG LEU A 73 9.393 -7.936 -2.104 1.00 0.00 H +ATOM 1057 HD11 LEU A 73 7.957 -7.980 -3.940 1.00 0.00 H +ATOM 1058 HD12 LEU A 73 7.179 -8.373 -2.619 1.00 0.00 H +ATOM 1059 HD13 LEU A 73 7.022 -6.919 -3.227 1.00 0.00 H +ATOM 1060 HD21 LEU A 73 9.860 -6.469 -3.854 1.00 0.00 H +ATOM 1061 HD22 LEU A 73 8.990 -5.352 -3.145 1.00 0.00 H +ATOM 1062 HD23 LEU A 73 10.334 -5.854 -2.474 1.00 0.00 H +ATOM 1063 N LEU A 74 8.973 -3.950 0.708 1.00 0.00 N +ATOM 1064 CA LEU A 74 8.544 -2.914 1.609 1.00 0.00 C +ATOM 1065 C LEU A 74 7.381 -2.181 1.025 1.00 0.00 C +ATOM 1066 O LEU A 74 7.487 -1.526 -0.003 1.00 0.00 O +ATOM 1067 CB LEU A 74 9.674 -1.939 1.885 1.00 0.00 C +ATOM 1068 CG LEU A 74 10.822 -2.452 2.713 1.00 0.00 C +ATOM 1069 CD1 LEU A 74 11.856 -1.381 2.881 1.00 0.00 C +ATOM 1070 CD2 LEU A 74 10.364 -2.855 4.071 1.00 0.00 C +ATOM 1071 H LEU A 74 9.279 -3.661 -0.042 1.00 0.00 H +ATOM 1072 HA LEU A 74 8.280 -3.327 2.446 1.00 0.00 H +ATOM 1073 HB2 LEU A 74 10.026 -1.635 1.034 1.00 0.00 H +ATOM 1074 HB3 LEU A 74 9.302 -1.162 2.331 1.00 0.00 H +ATOM 1075 HG LEU A 74 11.193 -3.219 2.250 1.00 0.00 H +ATOM 1076 HD11 LEU A 74 12.591 -1.721 3.415 1.00 0.00 H +ATOM 1077 HD12 LEU A 74 12.188 -1.112 2.010 1.00 0.00 H +ATOM 1078 HD13 LEU A 74 11.460 -0.616 3.326 1.00 0.00 H +ATOM 1079 HD21 LEU A 74 11.120 -3.181 4.584 1.00 0.00 H +ATOM 1080 HD22 LEU A 74 9.974 -2.090 4.522 1.00 0.00 H +ATOM 1081 HD23 LEU A 74 9.699 -3.557 3.993 1.00 0.00 H +ATOM 1082 N PHE A 75 6.287 -2.261 1.722 1.00 0.00 N +ATOM 1083 CA PHE A 75 5.067 -1.659 1.280 1.00 0.00 C +ATOM 1084 C PHE A 75 4.939 -0.266 1.834 1.00 0.00 C +ATOM 1085 O PHE A 75 4.459 -0.069 2.950 1.00 0.00 O +ATOM 1086 CB PHE A 75 3.926 -2.559 1.737 1.00 0.00 C +ATOM 1087 CG PHE A 75 4.320 -4.012 1.584 1.00 0.00 C +ATOM 1088 CD1 PHE A 75 5.089 -4.646 2.552 1.00 0.00 C +ATOM 1089 CD2 PHE A 75 3.978 -4.718 0.451 1.00 0.00 C +ATOM 1090 CE1 PHE A 75 5.503 -5.955 2.385 1.00 0.00 C +ATOM 1091 CE2 PHE A 75 4.396 -6.031 0.270 1.00 0.00 C +ATOM 1092 CZ PHE A 75 5.164 -6.646 1.239 1.00 0.00 C +ATOM 1093 H PHE A 75 6.227 -2.671 2.476 1.00 0.00 H +ATOM 1094 HA PHE A 75 5.048 -1.574 0.314 1.00 0.00 H +ATOM 1095 HB2 PHE A 75 3.707 -2.371 2.663 1.00 0.00 H +ATOM 1096 HB3 PHE A 75 3.130 -2.375 1.214 1.00 0.00 H +ATOM 1097 HD1 PHE A 75 5.329 -4.184 3.323 1.00 0.00 H +ATOM 1098 HD2 PHE A 75 3.459 -4.309 -0.203 1.00 0.00 H +ATOM 1099 HE1 PHE A 75 6.010 -6.370 3.045 1.00 0.00 H +ATOM 1100 HE2 PHE A 75 4.159 -6.494 -0.501 1.00 0.00 H +ATOM 1101 HZ PHE A 75 5.452 -7.522 1.120 1.00 0.00 H +ATOM 1102 N CYS A 76 5.382 0.706 1.047 1.00 0.00 N +ATOM 1103 CA CYS A 76 5.275 2.078 1.466 1.00 0.00 C +ATOM 1104 C CYS A 76 3.819 2.368 1.664 1.00 0.00 C +ATOM 1105 O CYS A 76 3.072 2.491 0.700 1.00 0.00 O +ATOM 1106 CB CYS A 76 5.848 3.045 0.437 1.00 0.00 C +ATOM 1107 SG CYS A 76 5.368 4.771 0.758 1.00 0.00 S +ATOM 1108 H CYS A 76 5.743 0.586 0.276 1.00 0.00 H +ATOM 1109 HA CYS A 76 5.785 2.201 2.282 1.00 0.00 H +ATOM 1110 HB2 CYS A 76 6.816 2.976 0.437 1.00 0.00 H +ATOM 1111 HB3 CYS A 76 5.545 2.788 -0.448 1.00 0.00 H +ATOM 1112 N ASP A 77 3.399 2.459 2.900 1.00 0.00 N +ATOM 1113 CA ASP A 77 2.000 2.708 3.156 1.00 0.00 C +ATOM 1114 C ASP A 77 1.693 4.198 2.957 1.00 0.00 C +ATOM 1115 O ASP A 77 0.885 4.792 3.671 1.00 0.00 O +ATOM 1116 CB ASP A 77 1.608 2.221 4.548 1.00 0.00 C +ATOM 1117 CG ASP A 77 0.190 2.600 4.936 1.00 0.00 C +ATOM 1118 OD1 ASP A 77 -0.757 2.027 4.356 1.00 0.00 O +ATOM 1119 OD2 ASP A 77 0.027 3.469 5.818 1.00 0.00 O +ATOM 1120 H ASP A 77 3.895 2.382 3.598 1.00 0.00 H +ATOM 1121 HA ASP A 77 1.464 2.206 2.522 1.00 0.00 H +ATOM 1122 HB2 ASP A 77 1.700 1.256 4.585 1.00 0.00 H +ATOM 1123 HB3 ASP A 77 2.225 2.590 5.199 1.00 0.00 H +ATOM 1124 N ASP A 78 2.360 4.793 1.967 1.00 0.00 N +ATOM 1125 CA ASP A 78 2.195 6.204 1.645 1.00 0.00 C +ATOM 1126 C ASP A 78 1.995 6.387 0.138 1.00 0.00 C +ATOM 1127 O ASP A 78 2.027 7.505 -0.375 1.00 0.00 O +ATOM 1128 CB ASP A 78 3.420 6.984 2.118 1.00 0.00 C +ATOM 1129 CG ASP A 78 3.122 8.441 2.405 1.00 0.00 C +ATOM 1130 OD1 ASP A 78 2.316 8.714 3.318 1.00 0.00 O +ATOM 1131 OD2 ASP A 78 3.703 9.311 1.723 1.00 0.00 O +ATOM 1132 H ASP A 78 2.923 4.384 1.462 1.00 0.00 H +ATOM 1133 HA ASP A 78 1.408 6.543 2.100 1.00 0.00 H +ATOM 1134 HB2 ASP A 78 3.772 6.567 2.920 1.00 0.00 H +ATOM 1135 HB3 ASP A 78 4.113 6.928 1.442 1.00 0.00 H +ATOM 1136 N CYS A 79 1.778 5.265 -0.551 1.00 0.00 N +ATOM 1137 CA CYS A 79 1.539 5.232 -1.987 1.00 0.00 C +ATOM 1138 C CYS A 79 1.454 3.781 -2.449 1.00 0.00 C +ATOM 1139 O CYS A 79 0.952 3.498 -3.534 1.00 0.00 O +ATOM 1140 CB CYS A 79 2.622 5.966 -2.783 1.00 0.00 C +ATOM 1141 SG CYS A 79 4.243 5.132 -2.813 1.00 0.00 S +ATOM 1142 H CYS A 79 1.766 4.487 -0.185 1.00 0.00 H +ATOM 1143 HA CYS A 79 0.702 5.693 -2.155 1.00 0.00 H +ATOM 1144 HB2 CYS A 79 2.314 6.080 -3.696 1.00 0.00 H +ATOM 1145 HB3 CYS A 79 2.736 6.854 -2.409 1.00 0.00 H +ATOM 1146 N ASP A 80 1.988 2.886 -1.604 1.00 0.00 N +ATOM 1147 CA ASP A 80 1.972 1.429 -1.825 1.00 0.00 C +ATOM 1148 C ASP A 80 3.230 0.877 -2.509 1.00 0.00 C +ATOM 1149 O ASP A 80 3.495 -0.323 -2.421 1.00 0.00 O +ATOM 1150 CB ASP A 80 0.738 1.009 -2.611 1.00 0.00 C +ATOM 1151 CG ASP A 80 0.633 -0.491 -2.737 1.00 0.00 C +ATOM 1152 OD1 ASP A 80 1.230 -1.050 -3.679 1.00 0.00 O +ATOM 1153 OD2 ASP A 80 -0.036 -1.107 -1.885 1.00 0.00 O +ATOM 1154 H ASP A 80 2.377 3.114 -0.872 1.00 0.00 H +ATOM 1155 HA ASP A 80 1.950 1.042 -0.936 1.00 0.00 H +ATOM 1156 HB2 ASP A 80 -0.056 1.353 -2.173 1.00 0.00 H +ATOM 1157 HB3 ASP A 80 0.768 1.406 -3.496 1.00 0.00 H +ATOM 1158 N ARG A 81 3.997 1.728 -3.184 1.00 0.00 N +ATOM 1159 CA ARG A 81 5.216 1.283 -3.872 1.00 0.00 C +ATOM 1160 C ARG A 81 6.020 0.289 -3.021 1.00 0.00 C +ATOM 1161 O ARG A 81 6.459 0.617 -1.919 1.00 0.00 O +ATOM 1162 CB ARG A 81 6.067 2.494 -4.234 1.00 0.00 C +ATOM 1163 CG ARG A 81 5.441 3.343 -5.325 1.00 0.00 C +ATOM 1164 CD ARG A 81 6.243 3.285 -6.614 1.00 0.00 C +ATOM 1165 NE ARG A 81 5.533 3.918 -7.723 1.00 0.00 N +ATOM 1166 CZ ARG A 81 5.955 3.890 -8.985 1.00 0.00 C +ATOM 1167 NH1 ARG A 81 7.077 3.256 -9.300 1.00 0.00 N +ATOM 1168 NH2 ARG A 81 5.252 4.494 -9.933 1.00 0.00 N +ATOM 1169 H ARG A 81 3.833 2.569 -3.258 1.00 0.00 H +ATOM 1170 HA ARG A 81 4.956 0.818 -4.682 1.00 0.00 H +ATOM 1171 HB2 ARG A 81 6.202 3.038 -3.443 1.00 0.00 H +ATOM 1172 HB3 ARG A 81 6.943 2.194 -4.525 1.00 0.00 H +ATOM 1173 HG2 ARG A 81 4.536 3.038 -5.493 1.00 0.00 H +ATOM 1174 HG3 ARG A 81 5.379 4.263 -5.024 1.00 0.00 H +ATOM 1175 HD2 ARG A 81 7.097 3.725 -6.484 1.00 0.00 H +ATOM 1176 HD3 ARG A 81 6.432 2.360 -6.836 1.00 0.00 H +ATOM 1177 HE ARG A 81 4.800 4.333 -7.550 1.00 0.00 H +ATOM 1178 HH11 ARG A 81 7.534 2.861 -8.688 1.00 0.00 H +ATOM 1179 HH12 ARG A 81 7.347 3.240 -10.116 1.00 0.00 H +ATOM 1180 HH21 ARG A 81 4.523 4.904 -9.733 1.00 0.00 H +ATOM 1181 HH22 ARG A 81 5.525 4.476 -10.748 1.00 0.00 H +ATOM 1182 N GLY A 82 6.209 -0.929 -3.547 1.00 0.00 N +ATOM 1183 CA GLY A 82 6.943 -1.959 -2.816 1.00 0.00 C +ATOM 1184 C GLY A 82 8.404 -2.068 -3.223 1.00 0.00 C +ATOM 1185 O GLY A 82 8.721 -2.099 -4.404 1.00 0.00 O +ATOM 1186 H GLY A 82 5.921 -1.173 -4.320 1.00 0.00 H +ATOM 1187 HA2 GLY A 82 6.893 -1.769 -1.866 1.00 0.00 H +ATOM 1188 HA3 GLY A 82 6.511 -2.816 -2.957 1.00 0.00 H +ATOM 1189 N TYR A 83 9.300 -2.097 -2.238 1.00 0.00 N +ATOM 1190 CA TYR A 83 10.736 -2.238 -2.498 1.00 0.00 C +ATOM 1191 C TYR A 83 11.315 -3.273 -1.558 1.00 0.00 C +ATOM 1192 O TYR A 83 11.152 -3.153 -0.353 1.00 0.00 O +ATOM 1193 CB TYR A 83 11.574 -0.996 -2.172 1.00 0.00 C +ATOM 1194 CG TYR A 83 11.195 0.369 -2.705 1.00 0.00 C +ATOM 1195 CD1 TYR A 83 9.957 0.656 -3.222 1.00 0.00 C +ATOM 1196 CD2 TYR A 83 12.106 1.416 -2.579 1.00 0.00 C +ATOM 1197 CE1 TYR A 83 9.630 1.936 -3.605 1.00 0.00 C +ATOM 1198 CE2 TYR A 83 11.789 2.693 -2.978 1.00 0.00 C +ATOM 1199 CZ TYR A 83 10.543 2.944 -3.489 1.00 0.00 C +ATOM 1200 OH TYR A 83 10.191 4.212 -3.864 1.00 0.00 O +ATOM 1201 H TYR A 83 9.096 -2.036 -1.405 1.00 0.00 H +ATOM 1202 HA TYR A 83 10.783 -2.446 -3.444 1.00 0.00 H +ATOM 1203 HB2 TYR A 83 11.608 -0.923 -1.205 1.00 0.00 H +ATOM 1204 HB3 TYR A 83 12.478 -1.177 -2.474 1.00 0.00 H +ATOM 1205 HD1 TYR A 83 9.330 -0.025 -3.315 1.00 0.00 H +ATOM 1206 HD2 TYR A 83 12.946 1.247 -2.217 1.00 0.00 H +ATOM 1207 HE1 TYR A 83 8.783 2.115 -3.945 1.00 0.00 H +ATOM 1208 HE2 TYR A 83 12.413 3.378 -2.902 1.00 0.00 H +ATOM 1209 HH TYR A 83 9.622 4.174 -4.481 1.00 0.00 H +ATOM 1210 N HIS A 84 12.064 -4.227 -2.062 1.00 0.00 N +ATOM 1211 CA HIS A 84 12.666 -5.190 -1.158 1.00 0.00 C +ATOM 1212 C HIS A 84 13.624 -4.376 -0.295 1.00 0.00 C +ATOM 1213 O HIS A 84 14.462 -3.708 -0.857 1.00 0.00 O +ATOM 1214 CB HIS A 84 13.441 -6.284 -1.912 1.00 0.00 C +ATOM 1215 CG HIS A 84 12.617 -7.232 -2.747 1.00 0.00 C +ATOM 1216 ND1 HIS A 84 12.516 -7.153 -4.122 1.00 0.00 N +ATOM 1217 CD2 HIS A 84 11.855 -8.287 -2.392 1.00 0.00 C +ATOM 1218 CE1 HIS A 84 11.731 -8.107 -4.577 1.00 0.00 C +ATOM 1219 NE2 HIS A 84 11.319 -8.818 -3.545 1.00 0.00 N +ATOM 1220 H HIS A 84 12.236 -4.338 -2.897 1.00 0.00 H +ATOM 1221 HA HIS A 84 11.987 -5.650 -0.640 1.00 0.00 H +ATOM 1222 HB2 HIS A 84 14.090 -5.854 -2.491 1.00 0.00 H +ATOM 1223 HB3 HIS A 84 13.941 -6.805 -1.264 1.00 0.00 H +ATOM 1224 HD2 HIS A 84 11.717 -8.599 -1.527 1.00 0.00 H +ATOM 1225 HE1 HIS A 84 11.507 -8.254 -5.468 1.00 0.00 H +ATOM 1226 HE2 HIS A 84 10.800 -9.502 -3.585 1.00 0.00 H +ATOM 1227 N MET A 85 13.466 -4.353 1.035 1.00 0.00 N +ATOM 1228 CA MET A 85 14.357 -3.537 1.897 1.00 0.00 C +ATOM 1229 C MET A 85 15.767 -3.441 1.355 1.00 0.00 C +ATOM 1230 O MET A 85 16.463 -2.455 1.594 1.00 0.00 O +ATOM 1231 CB MET A 85 14.479 -4.053 3.338 1.00 0.00 C +ATOM 1232 CG MET A 85 13.193 -4.274 4.080 1.00 0.00 C +ATOM 1233 SD MET A 85 12.621 -5.983 4.112 1.00 0.00 S +ATOM 1234 CE MET A 85 14.139 -6.882 4.398 1.00 0.00 C +ATOM 1235 H MET A 85 12.861 -4.793 1.458 1.00 0.00 H +ATOM 1236 HA MET A 85 13.924 -2.669 1.897 1.00 0.00 H +ATOM 1237 HB2 MET A 85 14.967 -4.891 3.320 1.00 0.00 H +ATOM 1238 HB3 MET A 85 15.016 -3.422 3.842 1.00 0.00 H +ATOM 1239 HG2 MET A 85 13.305 -3.967 4.993 1.00 0.00 H +ATOM 1240 HG3 MET A 85 12.503 -3.723 3.677 1.00 0.00 H +ATOM 1241 HE1 MET A 85 13.950 -7.833 4.435 1.00 0.00 H +ATOM 1242 HE2 MET A 85 14.762 -6.704 3.676 1.00 0.00 H +ATOM 1243 HE3 MET A 85 14.530 -6.598 5.239 1.00 0.00 H +ATOM 1244 N TYR A 86 16.198 -4.457 0.645 1.00 0.00 N +ATOM 1245 CA TYR A 86 17.543 -4.443 0.102 1.00 0.00 C +ATOM 1246 C TYR A 86 17.525 -4.005 -1.353 1.00 0.00 C +ATOM 1247 O TYR A 86 18.390 -4.392 -2.140 1.00 0.00 O +ATOM 1248 CB TYR A 86 18.226 -5.805 0.264 1.00 0.00 C +ATOM 1249 CG TYR A 86 17.664 -6.897 -0.611 1.00 0.00 C +ATOM 1250 CD1 TYR A 86 16.348 -7.312 -0.479 1.00 0.00 C +ATOM 1251 CD2 TYR A 86 18.457 -7.522 -1.566 1.00 0.00 C +ATOM 1252 CE1 TYR A 86 15.839 -8.316 -1.271 1.00 0.00 C +ATOM 1253 CE2 TYR A 86 17.951 -8.529 -2.366 1.00 0.00 C +ATOM 1254 CZ TYR A 86 16.641 -8.923 -2.213 1.00 0.00 C +ATOM 1255 OH TYR A 86 16.130 -9.927 -3.005 1.00 0.00 O +ATOM 1256 H TYR A 86 15.737 -5.160 0.464 1.00 0.00 H +ATOM 1257 HA TYR A 86 18.064 -3.799 0.606 1.00 0.00 H +ATOM 1258 HB2 TYR A 86 19.171 -5.705 0.069 1.00 0.00 H +ATOM 1259 HB3 TYR A 86 18.155 -6.081 1.191 1.00 0.00 H +ATOM 1260 HD1 TYR A 86 15.801 -6.906 0.154 1.00 0.00 H +ATOM 1261 HD2 TYR A 86 19.343 -7.258 -1.668 1.00 0.00 H +ATOM 1262 HE1 TYR A 86 14.954 -8.585 -1.170 1.00 0.00 H +ATOM 1263 HE2 TYR A 86 18.492 -8.937 -3.003 1.00 0.00 H +ATOM 1264 HH TYR A 86 16.722 -10.192 -3.539 1.00 0.00 H +ATOM 1265 N CYS A 87 16.534 -3.186 -1.708 1.00 0.00 N +ATOM 1266 CA CYS A 87 16.422 -2.685 -3.061 1.00 0.00 C +ATOM 1267 C CYS A 87 16.435 -1.182 -3.037 1.00 0.00 C +ATOM 1268 O CYS A 87 16.826 -0.521 -4.000 1.00 0.00 O +ATOM 1269 CB CYS A 87 15.143 -3.190 -3.736 1.00 0.00 C +ATOM 1270 SG CYS A 87 15.286 -4.907 -4.274 1.00 0.00 S +ATOM 1271 H CYS A 87 15.919 -2.913 -1.173 1.00 0.00 H +ATOM 1272 HA CYS A 87 17.177 -3.012 -3.575 1.00 0.00 H +ATOM 1273 HB2 CYS A 87 14.399 -3.107 -3.119 1.00 0.00 H +ATOM 1274 HB3 CYS A 87 14.940 -2.629 -4.501 1.00 0.00 H +ATOM 1275 N LEU A 88 16.011 -0.662 -1.904 1.00 0.00 N +ATOM 1276 CA LEU A 88 15.919 0.770 -1.696 1.00 0.00 C +ATOM 1277 C LEU A 88 17.241 1.479 -1.966 1.00 0.00 C +ATOM 1278 O LEU A 88 18.248 0.856 -2.303 1.00 0.00 O +ATOM 1279 CB LEU A 88 15.469 1.070 -0.263 1.00 0.00 C +ATOM 1280 CG LEU A 88 14.969 -0.140 0.516 1.00 0.00 C +ATOM 1281 CD1 LEU A 88 14.580 0.222 1.917 1.00 0.00 C +ATOM 1282 CD2 LEU A 88 13.788 -0.764 -0.167 1.00 0.00 C +ATOM 1283 H LEU A 88 15.766 -1.132 -1.227 1.00 0.00 H +ATOM 1284 HA LEU A 88 15.264 1.106 -2.328 1.00 0.00 H +ATOM 1285 HB2 LEU A 88 16.212 1.465 0.220 1.00 0.00 H +ATOM 1286 HB3 LEU A 88 14.763 1.735 -0.292 1.00 0.00 H +ATOM 1287 HG LEU A 88 15.703 -0.773 0.548 1.00 0.00 H +ATOM 1288 HD11 LEU A 88 14.268 -0.570 2.381 1.00 0.00 H +ATOM 1289 HD12 LEU A 88 15.349 0.587 2.382 1.00 0.00 H +ATOM 1290 HD13 LEU A 88 13.871 0.884 1.895 1.00 0.00 H +ATOM 1291 HD21 LEU A 88 13.486 -1.531 0.344 1.00 0.00 H +ATOM 1292 HD22 LEU A 88 13.070 -0.115 -0.230 1.00 0.00 H +ATOM 1293 HD23 LEU A 88 14.043 -1.050 -1.058 1.00 0.00 H +ATOM 1294 N ASN A 89 17.215 2.794 -1.808 1.00 0.00 N +ATOM 1295 CA ASN A 89 18.393 3.623 -1.982 1.00 0.00 C +ATOM 1296 C ASN A 89 19.158 3.619 -0.685 1.00 0.00 C +ATOM 1297 O ASN A 89 20.385 3.508 -0.674 1.00 0.00 O +ATOM 1298 CB ASN A 89 17.992 5.034 -2.365 1.00 0.00 C +ATOM 1299 CG ASN A 89 19.061 5.767 -3.107 1.00 0.00 C +ATOM 1300 OD1 ASN A 89 19.984 5.172 -3.663 1.00 0.00 O +ATOM 1301 ND2 ASN A 89 18.928 7.073 -3.131 1.00 0.00 N +ATOM 1302 H ASN A 89 16.507 3.233 -1.595 1.00 0.00 H +ATOM 1303 HA ASN A 89 18.950 3.274 -2.696 1.00 0.00 H +ATOM 1304 HB2 ASN A 89 17.192 5.000 -2.912 1.00 0.00 H +ATOM 1305 HB3 ASN A 89 17.766 5.529 -1.562 1.00 0.00 H +ATOM 1306 HD21 ASN A 89 19.503 7.556 -3.550 1.00 0.00 H +ATOM 1307 HD22 ASN A 89 18.266 7.445 -2.728 1.00 0.00 H +ATOM 1308 N PRO A 90 18.433 3.775 0.438 1.00 0.00 N +ATOM 1309 CA PRO A 90 18.974 3.703 1.759 1.00 0.00 C +ATOM 1310 C PRO A 90 18.394 2.491 2.488 1.00 0.00 C +ATOM 1311 O PRO A 90 17.784 2.620 3.549 1.00 0.00 O +ATOM 1312 CB PRO A 90 18.443 4.997 2.301 1.00 0.00 C +ATOM 1313 CG PRO A 90 17.065 5.095 1.743 1.00 0.00 C +ATOM 1314 CD PRO A 90 17.024 4.172 0.551 1.00 0.00 C +ATOM 1315 HA PRO A 90 19.936 3.599 1.833 1.00 0.00 H +ATOM 1316 HB2 PRO A 90 18.432 4.996 3.271 1.00 0.00 H +ATOM 1317 HB3 PRO A 90 18.991 5.748 2.024 1.00 0.00 H +ATOM 1318 HG2 PRO A 90 16.405 4.835 2.404 1.00 0.00 H +ATOM 1319 HG3 PRO A 90 16.862 6.007 1.482 1.00 0.00 H +ATOM 1320 HD2 PRO A 90 16.441 3.411 0.699 1.00 0.00 H +ATOM 1321 HD3 PRO A 90 16.706 4.621 -0.248 1.00 0.00 H +ATOM 1322 N PRO A 91 18.577 1.299 1.881 1.00 0.00 N +ATOM 1323 CA PRO A 91 18.078 0.018 2.354 1.00 0.00 C +ATOM 1324 C PRO A 91 17.883 -0.091 3.861 1.00 0.00 C +ATOM 1325 O PRO A 91 18.584 0.538 4.654 1.00 0.00 O +ATOM 1326 CB PRO A 91 19.154 -0.963 1.883 1.00 0.00 C +ATOM 1327 CG PRO A 91 20.064 -0.188 0.987 1.00 0.00 C +ATOM 1328 CD PRO A 91 19.342 1.082 0.665 1.00 0.00 C +ATOM 1329 HA PRO A 91 17.187 -0.146 2.008 1.00 0.00 H +ATOM 1330 HB2 PRO A 91 19.641 -1.330 2.637 1.00 0.00 H +ATOM 1331 HB3 PRO A 91 18.757 -1.711 1.410 1.00 0.00 H +ATOM 1332 HG2 PRO A 91 20.910 -0.005 1.425 1.00 0.00 H +ATOM 1333 HG3 PRO A 91 20.265 -0.687 0.180 1.00 0.00 H +ATOM 1334 HD2 PRO A 91 19.953 1.813 0.483 1.00 0.00 H +ATOM 1335 HD3 PRO A 91 18.771 0.990 -0.114 1.00 0.00 H +ATOM 1336 N VAL A 92 16.925 -0.931 4.228 1.00 0.00 N +ATOM 1337 CA VAL A 92 16.580 -1.191 5.612 1.00 0.00 C +ATOM 1338 C VAL A 92 16.659 -2.693 5.853 1.00 0.00 C +ATOM 1339 O VAL A 92 16.894 -3.463 4.923 1.00 0.00 O +ATOM 1340 CB VAL A 92 15.179 -0.613 5.927 1.00 0.00 C +ATOM 1341 CG1 VAL A 92 14.190 -1.008 4.860 1.00 0.00 C +ATOM 1342 CG2 VAL A 92 14.661 -1.003 7.296 1.00 0.00 C +ATOM 1343 H VAL A 92 16.449 -1.374 3.665 1.00 0.00 H +ATOM 1344 HA VAL A 92 17.203 -0.752 6.212 1.00 0.00 H +ATOM 1345 HB VAL A 92 15.279 0.352 5.935 1.00 0.00 H +ATOM 1346 HG11 VAL A 92 13.319 -0.638 5.073 1.00 0.00 H +ATOM 1347 HG12 VAL A 92 14.485 -0.665 4.002 1.00 0.00 H +ATOM 1348 HG13 VAL A 92 14.128 -1.975 4.818 1.00 0.00 H +ATOM 1349 HG21 VAL A 92 13.784 -0.612 7.434 1.00 0.00 H +ATOM 1350 HG22 VAL A 92 14.597 -1.969 7.355 1.00 0.00 H +ATOM 1351 HG23 VAL A 92 15.270 -0.678 7.977 1.00 0.00 H +ATOM 1352 N ALA A 93 16.489 -3.107 7.089 1.00 0.00 N +ATOM 1353 CA ALA A 93 16.601 -4.526 7.430 1.00 0.00 C +ATOM 1354 C ALA A 93 15.263 -5.255 7.556 1.00 0.00 C +ATOM 1355 O ALA A 93 15.154 -6.411 7.154 1.00 0.00 O +ATOM 1356 CB ALA A 93 17.394 -4.694 8.715 1.00 0.00 C +ATOM 1357 H ALA A 93 16.308 -2.591 7.752 1.00 0.00 H +ATOM 1358 HA ALA A 93 17.063 -4.937 6.683 1.00 0.00 H +ATOM 1359 HB1 ALA A 93 17.463 -5.637 8.932 1.00 0.00 H +ATOM 1360 HB2 ALA A 93 18.283 -4.324 8.598 1.00 0.00 H +ATOM 1361 HB3 ALA A 93 16.943 -4.228 9.437 1.00 0.00 H +ATOM 1362 N GLU A 94 14.258 -4.603 8.133 1.00 0.00 N +ATOM 1363 CA GLU A 94 12.944 -5.242 8.338 1.00 0.00 C +ATOM 1364 C GLU A 94 11.875 -4.217 8.713 1.00 0.00 C +ATOM 1365 O GLU A 94 10.783 -4.197 8.143 1.00 0.00 O +ATOM 1366 CB GLU A 94 12.996 -6.306 9.453 1.00 0.00 C +ATOM 1367 CG GLU A 94 14.384 -6.621 10.000 1.00 0.00 C +ATOM 1368 CD GLU A 94 14.363 -7.731 11.032 1.00 0.00 C +ATOM 1369 OE1 GLU A 94 14.492 -8.910 10.638 1.00 0.00 O +ATOM 1370 OE2 GLU A 94 14.217 -7.423 12.234 1.00 0.00 O +ATOM 1371 H GLU A 94 14.308 -3.792 8.415 1.00 0.00 H +ATOM 1372 HA GLU A 94 12.716 -5.663 7.494 1.00 0.00 H +ATOM 1373 HB2 GLU A 94 12.436 -6.009 10.188 1.00 0.00 H +ATOM 1374 HB3 GLU A 94 12.606 -7.127 9.113 1.00 0.00 H +ATOM 1375 HG2 GLU A 94 14.967 -6.875 9.268 1.00 0.00 H +ATOM 1376 HG3 GLU A 94 14.761 -5.821 10.398 1.00 0.00 H +ATOM 1377 N PRO A 95 12.194 -3.396 9.725 1.00 0.00 N +ATOM 1378 CA PRO A 95 11.410 -2.308 10.270 1.00 0.00 C +ATOM 1379 C PRO A 95 10.157 -1.858 9.507 1.00 0.00 C +ATOM 1380 O PRO A 95 9.098 -1.750 10.124 1.00 0.00 O +ATOM 1381 CB PRO A 95 12.494 -1.223 10.269 1.00 0.00 C +ATOM 1382 CG PRO A 95 13.792 -1.981 10.435 1.00 0.00 C +ATOM 1383 CD PRO A 95 13.424 -3.423 10.492 1.00 0.00 C +ATOM 1384 HA PRO A 95 10.994 -2.548 11.113 1.00 0.00 H +ATOM 1385 HB2 PRO A 95 12.485 -0.716 9.442 1.00 0.00 H +ATOM 1386 HB3 PRO A 95 12.360 -0.590 10.992 1.00 0.00 H +ATOM 1387 HG2 PRO A 95 14.393 -1.806 9.694 1.00 0.00 H +ATOM 1388 HG3 PRO A 95 14.252 -1.708 11.244 1.00 0.00 H +ATOM 1389 HD2 PRO A 95 14.098 -3.994 10.092 1.00 0.00 H +ATOM 1390 HD3 PRO A 95 13.289 -3.736 11.400 1.00 0.00 H +ATOM 1391 N PRO A 96 10.213 -1.558 8.189 1.00 0.00 N +ATOM 1392 CA PRO A 96 9.051 -1.078 7.474 1.00 0.00 C +ATOM 1393 C PRO A 96 8.030 -2.154 7.135 1.00 0.00 C +ATOM 1394 O PRO A 96 7.557 -2.238 6.001 1.00 0.00 O +ATOM 1395 CB PRO A 96 9.635 -0.470 6.208 1.00 0.00 C +ATOM 1396 CG PRO A 96 11.087 -0.459 6.409 1.00 0.00 C +ATOM 1397 CD PRO A 96 11.356 -1.606 7.287 1.00 0.00 C +ATOM 1398 HA PRO A 96 8.548 -0.455 8.021 1.00 0.00 H +ATOM 1399 HB2 PRO A 96 9.395 -0.993 5.427 1.00 0.00 H +ATOM 1400 HB3 PRO A 96 9.296 0.427 6.064 1.00 0.00 H +ATOM 1401 HG2 PRO A 96 11.559 -0.543 5.566 1.00 0.00 H +ATOM 1402 HG3 PRO A 96 11.379 0.372 6.816 1.00 0.00 H +ATOM 1403 HD2 PRO A 96 11.397 -2.441 6.794 1.00 0.00 H +ATOM 1404 HD3 PRO A 96 12.198 -1.514 7.760 1.00 0.00 H +ATOM 1405 N GLU A 97 7.691 -2.973 8.117 1.00 0.00 N +ATOM 1406 CA GLU A 97 6.704 -4.022 7.915 1.00 0.00 C +ATOM 1407 C GLU A 97 5.303 -3.422 7.892 1.00 0.00 C +ATOM 1408 O GLU A 97 4.313 -4.132 7.715 1.00 0.00 O +ATOM 1409 CB GLU A 97 6.803 -5.077 9.014 1.00 0.00 C +ATOM 1410 CG GLU A 97 8.087 -5.890 8.963 1.00 0.00 C +ATOM 1411 CD GLU A 97 7.964 -7.221 9.680 1.00 0.00 C +ATOM 1412 OE1 GLU A 97 7.569 -8.211 9.028 1.00 0.00 O +ATOM 1413 OE2 GLU A 97 8.263 -7.273 10.892 1.00 0.00 O +ATOM 1414 H GLU A 97 8.021 -2.939 8.910 1.00 0.00 H +ATOM 1415 HA GLU A 97 6.881 -4.450 7.063 1.00 0.00 H +ATOM 1416 HB2 GLU A 97 6.740 -4.640 9.878 1.00 0.00 H +ATOM 1417 HB3 GLU A 97 6.045 -5.678 8.944 1.00 0.00 H +ATOM 1418 HG2 GLU A 97 8.330 -6.047 8.037 1.00 0.00 H +ATOM 1419 HG3 GLU A 97 8.807 -5.377 9.362 1.00 0.00 H +ATOM 1420 N GLY A 98 5.233 -2.105 8.077 1.00 0.00 N +ATOM 1421 CA GLY A 98 3.955 -1.421 8.072 1.00 0.00 C +ATOM 1422 C GLY A 98 4.034 -0.012 7.531 1.00 0.00 C +ATOM 1423 O GLY A 98 3.520 0.275 6.450 1.00 0.00 O +ATOM 1424 H GLY A 98 5.914 -1.596 8.206 1.00 0.00 H +ATOM 1425 HA2 GLY A 98 3.324 -1.931 7.539 1.00 0.00 H +ATOM 1426 HA3 GLY A 98 3.606 -1.394 8.977 1.00 0.00 H +ATOM 1427 N SER A 99 4.676 0.868 8.289 1.00 0.00 N +ATOM 1428 CA SER A 99 4.797 2.265 7.897 1.00 0.00 C +ATOM 1429 C SER A 99 5.636 2.426 6.625 1.00 0.00 C +ATOM 1430 O SER A 99 5.239 1.967 5.554 1.00 0.00 O +ATOM 1431 CB SER A 99 5.393 3.090 9.041 1.00 0.00 C +ATOM 1432 OG SER A 99 5.328 4.477 8.758 1.00 0.00 O +ATOM 1433 H SER A 99 5.051 0.675 9.039 1.00 0.00 H +ATOM 1434 HA SER A 99 3.906 2.595 7.703 1.00 0.00 H +ATOM 1435 HB2 SER A 99 4.914 2.902 9.863 1.00 0.00 H +ATOM 1436 HB3 SER A 99 6.316 2.829 9.185 1.00 0.00 H +ATOM 1437 HG SER A 99 5.658 4.910 9.398 1.00 0.00 H +ATOM 1438 N TRP A 100 6.789 3.095 6.748 1.00 0.00 N +ATOM 1439 CA TRP A 100 7.684 3.321 5.618 1.00 0.00 C +ATOM 1440 C TRP A 100 7.064 4.295 4.637 1.00 0.00 C +ATOM 1441 O TRP A 100 5.842 4.427 4.565 1.00 0.00 O +ATOM 1442 CB TRP A 100 8.006 2.005 4.925 1.00 0.00 C +ATOM 1443 CG TRP A 100 9.308 2.006 4.186 1.00 0.00 C +ATOM 1444 CD1 TRP A 100 10.547 2.347 4.657 1.00 0.00 C +ATOM 1445 CD2 TRP A 100 9.495 1.599 2.844 1.00 0.00 C +ATOM 1446 NE1 TRP A 100 11.480 2.207 3.659 1.00 0.00 N +ATOM 1447 CE2 TRP A 100 10.855 1.749 2.544 1.00 0.00 C +ATOM 1448 CE3 TRP A 100 8.638 1.131 1.860 1.00 0.00 C +ATOM 1449 CZ2 TRP A 100 11.372 1.446 1.306 1.00 0.00 C +ATOM 1450 CZ3 TRP A 100 9.161 0.824 0.627 1.00 0.00 C +ATOM 1451 CH2 TRP A 100 10.515 0.985 0.369 1.00 0.00 C +ATOM 1452 H TRP A 100 7.069 3.428 7.490 1.00 0.00 H +ATOM 1453 HA TRP A 100 8.510 3.705 5.952 1.00 0.00 H +ATOM 1454 HB2 TRP A 100 8.022 1.297 5.588 1.00 0.00 H +ATOM 1455 HB3 TRP A 100 7.292 1.795 4.303 1.00 0.00 H +ATOM 1456 HD1 TRP A 100 10.730 2.631 5.523 1.00 0.00 H +ATOM 1457 HE1 TRP A 100 12.319 2.380 3.729 1.00 0.00 H +ATOM 1458 HE3 TRP A 100 7.730 1.027 2.031 1.00 0.00 H +ATOM 1459 HZ2 TRP A 100 12.277 1.554 1.121 1.00 0.00 H +ATOM 1460 HZ3 TRP A 100 8.601 0.504 -0.043 1.00 0.00 H +ATOM 1461 HH2 TRP A 100 10.842 0.769 -0.474 1.00 0.00 H +ATOM 1462 N SER A 101 7.909 4.978 3.881 1.00 0.00 N +ATOM 1463 CA SER A 101 7.408 5.956 2.919 1.00 0.00 C +ATOM 1464 C SER A 101 8.135 5.929 1.571 1.00 0.00 C +ATOM 1465 O SER A 101 8.036 6.880 0.807 1.00 0.00 O +ATOM 1466 CB SER A 101 7.483 7.359 3.515 1.00 0.00 C +ATOM 1467 OG SER A 101 6.477 7.554 4.493 1.00 0.00 O +ATOM 1468 H SER A 101 8.765 4.895 3.905 1.00 0.00 H +ATOM 1469 HA SER A 101 6.487 5.710 2.739 1.00 0.00 H +ATOM 1470 HB2 SER A 101 8.356 7.498 3.914 1.00 0.00 H +ATOM 1471 HB3 SER A 101 7.385 8.018 2.810 1.00 0.00 H +ATOM 1472 HG SER A 101 6.113 6.818 4.671 1.00 0.00 H +ATOM 1473 N CYS A 102 8.845 4.846 1.273 1.00 0.00 N +ATOM 1474 CA CYS A 102 9.569 4.724 -0.005 1.00 0.00 C +ATOM 1475 C CYS A 102 10.365 5.990 -0.337 1.00 0.00 C +ATOM 1476 O CYS A 102 10.409 6.933 0.449 1.00 0.00 O +ATOM 1477 CB CYS A 102 8.596 4.437 -1.149 1.00 0.00 C +ATOM 1478 SG CYS A 102 7.822 5.923 -1.866 1.00 0.00 S +ATOM 1479 H CYS A 102 8.925 4.166 1.793 1.00 0.00 H +ATOM 1480 HA CYS A 102 10.191 3.986 0.095 1.00 0.00 H +ATOM 1481 HB2 CYS A 102 9.069 3.961 -1.850 1.00 0.00 H +ATOM 1482 HB3 CYS A 102 7.898 3.846 -0.826 1.00 0.00 H +ATOM 1483 N HIS A 103 11.032 5.988 -1.491 1.00 0.00 N +ATOM 1484 CA HIS A 103 11.805 7.135 -1.920 1.00 0.00 C +ATOM 1485 C HIS A 103 10.920 8.217 -2.536 1.00 0.00 C +ATOM 1486 O HIS A 103 11.186 9.403 -2.371 1.00 0.00 O +ATOM 1487 CB HIS A 103 12.933 6.730 -2.878 1.00 0.00 C +ATOM 1488 CG HIS A 103 12.520 5.992 -4.117 1.00 0.00 C +ATOM 1489 ND1 HIS A 103 13.194 4.881 -4.582 1.00 0.00 N +ATOM 1490 CD2 HIS A 103 11.532 6.223 -5.010 1.00 0.00 C +ATOM 1491 CE1 HIS A 103 12.638 4.468 -5.706 1.00 0.00 C +ATOM 1492 NE2 HIS A 103 11.629 5.266 -5.987 1.00 0.00 N +ATOM 1493 H HIS A 103 11.045 5.325 -2.038 1.00 0.00 H +ATOM 1494 HA HIS A 103 12.215 7.512 -1.126 1.00 0.00 H +ATOM 1495 HB2 HIS A 103 13.408 7.532 -3.146 1.00 0.00 H +ATOM 1496 HB3 HIS A 103 13.563 6.177 -2.390 1.00 0.00 H +ATOM 1497 HD1 HIS A 103 13.871 4.515 -4.199 1.00 0.00 H +ATOM 1498 HD2 HIS A 103 10.902 6.906 -4.969 1.00 0.00 H +ATOM 1499 HE1 HIS A 103 12.912 3.738 -6.213 1.00 0.00 H +ATOM 1500 HE2 HIS A 103 11.114 5.198 -6.672 1.00 0.00 H +ATOM 1501 N LEU A 104 9.862 7.801 -3.240 1.00 0.00 N +ATOM 1502 CA LEU A 104 8.964 8.747 -3.905 1.00 0.00 C +ATOM 1503 C LEU A 104 8.386 9.752 -2.927 1.00 0.00 C +ATOM 1504 O LEU A 104 8.481 10.971 -3.108 1.00 0.00 O +ATOM 1505 CB LEU A 104 7.786 8.021 -4.555 1.00 0.00 C +ATOM 1506 CG LEU A 104 8.127 6.928 -5.548 1.00 0.00 C +ATOM 1507 CD1 LEU A 104 6.856 6.302 -6.062 1.00 0.00 C +ATOM 1508 CD2 LEU A 104 8.959 7.467 -6.689 1.00 0.00 C +ATOM 1509 H LEU A 104 9.648 6.974 -3.344 1.00 0.00 H +ATOM 1510 HA LEU A 104 9.499 9.202 -4.574 1.00 0.00 H +ATOM 1511 HB2 LEU A 104 7.243 7.633 -3.851 1.00 0.00 H +ATOM 1512 HB3 LEU A 104 7.236 8.680 -5.006 1.00 0.00 H +ATOM 1513 HG LEU A 104 8.656 6.251 -5.098 1.00 0.00 H +ATOM 1514 HD11 LEU A 104 7.074 5.602 -6.698 1.00 0.00 H +ATOM 1515 HD12 LEU A 104 6.360 5.922 -5.321 1.00 0.00 H +ATOM 1516 HD13 LEU A 104 6.316 6.979 -6.499 1.00 0.00 H +ATOM 1517 HD21 LEU A 104 9.163 6.749 -7.308 1.00 0.00 H +ATOM 1518 HD22 LEU A 104 8.464 8.161 -7.151 1.00 0.00 H +ATOM 1519 HD23 LEU A 104 9.785 7.837 -6.341 1.00 0.00 H +ATOM 1520 N CYS A 105 7.827 9.212 -1.867 1.00 0.00 N +ATOM 1521 CA CYS A 105 7.173 10.019 -0.844 1.00 0.00 C +ATOM 1522 C CYS A 105 8.167 10.778 -0.030 1.00 0.00 C +ATOM 1523 O CYS A 105 7.893 11.876 0.439 1.00 0.00 O +ATOM 1524 CB CYS A 105 6.330 9.158 0.090 1.00 0.00 C +ATOM 1525 SG CYS A 105 4.996 8.228 -0.753 1.00 0.00 S +ATOM 1526 H CYS A 105 7.812 8.366 -1.713 1.00 0.00 H +ATOM 1527 HA CYS A 105 6.597 10.644 -1.312 1.00 0.00 H +ATOM 1528 HB2 CYS A 105 6.910 8.530 0.547 1.00 0.00 H +ATOM 1529 HB3 CYS A 105 5.935 9.726 0.770 1.00 0.00 H +ATOM 1530 N TRP A 106 9.307 10.174 0.155 1.00 0.00 N +ATOM 1531 CA TRP A 106 10.340 10.760 0.952 1.00 0.00 C +ATOM 1532 C TRP A 106 10.949 11.954 0.328 1.00 0.00 C +ATOM 1533 O TRP A 106 11.058 12.986 0.947 1.00 0.00 O +ATOM 1534 CB TRP A 106 11.398 9.752 1.245 1.00 0.00 C +ATOM 1535 CG TRP A 106 11.419 9.514 2.676 1.00 0.00 C +ATOM 1536 CD1 TRP A 106 10.334 9.304 3.429 1.00 0.00 C +ATOM 1537 CD2 TRP A 106 12.535 9.532 3.529 1.00 0.00 C +ATOM 1538 NE1 TRP A 106 10.686 9.157 4.727 1.00 0.00 N +ATOM 1539 CE2 TRP A 106 12.060 9.290 4.826 1.00 0.00 C +ATOM 1540 CE3 TRP A 106 13.890 9.718 3.309 1.00 0.00 C +ATOM 1541 CZ2 TRP A 106 12.919 9.233 5.921 1.00 0.00 C +ATOM 1542 CZ3 TRP A 106 14.745 9.668 4.387 1.00 0.00 C +ATOM 1543 CH2 TRP A 106 14.259 9.425 5.680 1.00 0.00 C +ATOM 1544 H TRP A 106 9.506 9.407 -0.180 1.00 0.00 H +ATOM 1545 HA TRP A 106 9.920 11.053 1.776 1.00 0.00 H +ATOM 1546 HB2 TRP A 106 11.219 8.927 0.768 1.00 0.00 H +ATOM 1547 HB3 TRP A 106 12.262 10.072 0.943 1.00 0.00 H +ATOM 1548 HD1 TRP A 106 9.463 9.265 3.107 1.00 0.00 H +ATOM 1549 HE1 TRP A 106 10.147 9.006 5.380 1.00 0.00 H +ATOM 1550 HE3 TRP A 106 14.215 9.873 2.452 1.00 0.00 H +ATOM 1551 HZ2 TRP A 106 12.599 9.072 6.779 1.00 0.00 H +ATOM 1552 HZ3 TRP A 106 15.657 9.797 4.256 1.00 0.00 H +ATOM 1553 HH2 TRP A 106 14.857 9.393 6.391 1.00 0.00 H +ATOM 1554 N GLU A 107 11.382 11.814 -0.878 1.00 0.00 N +ATOM 1555 CA GLU A 107 11.974 12.934 -1.537 1.00 0.00 C +ATOM 1556 C GLU A 107 10.931 14.028 -1.607 1.00 0.00 C +ATOM 1557 O GLU A 107 11.245 15.218 -1.645 1.00 0.00 O +ATOM 1558 CB GLU A 107 12.450 12.521 -2.901 1.00 0.00 C +ATOM 1559 CG GLU A 107 11.322 12.066 -3.796 1.00 0.00 C +ATOM 1560 CD GLU A 107 11.740 11.917 -5.246 1.00 0.00 C +ATOM 1561 OE1 GLU A 107 12.251 10.838 -5.609 1.00 0.00 O +ATOM 1562 OE2 GLU A 107 11.556 12.882 -6.019 1.00 0.00 O +ATOM 1563 H GLU A 107 11.347 11.088 -1.337 1.00 0.00 H +ATOM 1564 HA GLU A 107 12.747 13.264 -1.053 1.00 0.00 H +ATOM 1565 HB2 GLU A 107 12.910 13.266 -3.319 1.00 0.00 H +ATOM 1566 HB3 GLU A 107 13.096 11.803 -2.811 1.00 0.00 H +ATOM 1567 HG2 GLU A 107 10.982 11.217 -3.474 1.00 0.00 H +ATOM 1568 HG3 GLU A 107 10.593 12.703 -3.739 1.00 0.00 H +ATOM 1569 N LEU A 108 9.671 13.593 -1.615 1.00 0.00 N +ATOM 1570 CA LEU A 108 8.552 14.504 -1.624 1.00 0.00 C +ATOM 1571 C LEU A 108 8.407 15.090 -0.234 1.00 0.00 C +ATOM 1572 O LEU A 108 7.881 16.179 -0.043 1.00 0.00 O +ATOM 1573 CB LEU A 108 7.290 13.784 -2.062 1.00 0.00 C +ATOM 1574 CG LEU A 108 6.166 14.668 -2.607 1.00 0.00 C +ATOM 1575 CD1 LEU A 108 5.304 15.189 -1.477 1.00 0.00 C +ATOM 1576 CD2 LEU A 108 6.739 15.812 -3.417 1.00 0.00 C +ATOM 1577 H LEU A 108 9.451 12.762 -1.615 1.00 0.00 H +ATOM 1578 HA LEU A 108 8.704 15.222 -2.258 1.00 0.00 H +ATOM 1579 HB2 LEU A 108 7.529 13.138 -2.745 1.00 0.00 H +ATOM 1580 HB3 LEU A 108 6.946 13.284 -1.306 1.00 0.00 H +ATOM 1581 HG LEU A 108 5.607 14.131 -3.191 1.00 0.00 H +ATOM 1582 HD11 LEU A 108 4.598 15.747 -1.839 1.00 0.00 H +ATOM 1583 HD12 LEU A 108 4.912 14.442 -0.998 1.00 0.00 H +ATOM 1584 HD13 LEU A 108 5.849 15.713 -0.869 1.00 0.00 H +ATOM 1585 HD21 LEU A 108 6.016 16.363 -3.756 1.00 0.00 H +ATOM 1586 HD22 LEU A 108 7.318 16.349 -2.854 1.00 0.00 H +ATOM 1587 HD23 LEU A 108 7.251 15.458 -4.161 1.00 0.00 H +ATOM 1588 N LEU A 109 8.882 14.311 0.726 1.00 0.00 N +ATOM 1589 CA LEU A 109 8.876 14.662 2.135 1.00 0.00 C +ATOM 1590 C LEU A 109 9.873 15.765 2.390 1.00 0.00 C +ATOM 1591 O LEU A 109 9.540 16.841 2.883 1.00 0.00 O +ATOM 1592 CB LEU A 109 9.306 13.452 2.924 1.00 0.00 C +ATOM 1593 CG LEU A 109 8.410 13.014 4.056 1.00 0.00 C +ATOM 1594 CD1 LEU A 109 7.480 11.930 3.553 1.00 0.00 C +ATOM 1595 CD2 LEU A 109 9.262 12.523 5.215 1.00 0.00 C +ATOM 1596 H LEU A 109 9.228 13.539 0.570 1.00 0.00 H +ATOM 1597 HA LEU A 109 7.988 14.955 2.394 1.00 0.00 H +ATOM 1598 HB2 LEU A 109 9.398 12.708 2.308 1.00 0.00 H +ATOM 1599 HB3 LEU A 109 10.187 13.628 3.289 1.00 0.00 H +ATOM 1600 HG LEU A 109 7.874 13.757 4.374 1.00 0.00 H +ATOM 1601 HD11 LEU A 109 6.899 11.641 4.274 1.00 0.00 H +ATOM 1602 HD12 LEU A 109 6.942 12.277 2.824 1.00 0.00 H +ATOM 1603 HD13 LEU A 109 8.002 11.176 3.238 1.00 0.00 H +ATOM 1604 HD21 LEU A 109 8.687 12.241 5.943 1.00 0.00 H +ATOM 1605 HD22 LEU A 109 9.804 11.774 4.923 1.00 0.00 H +ATOM 1606 HD23 LEU A 109 9.840 13.241 5.519 1.00 0.00 H +ATOM 1607 N LYS A 110 11.114 15.456 2.045 1.00 0.00 N +ATOM 1608 CA LYS A 110 12.220 16.375 2.204 1.00 0.00 C +ATOM 1609 C LYS A 110 11.872 17.693 1.537 1.00 0.00 C +ATOM 1610 O LYS A 110 12.262 18.767 1.995 1.00 0.00 O +ATOM 1611 CB LYS A 110 13.478 15.767 1.584 1.00 0.00 C +ATOM 1612 CG LYS A 110 13.451 14.248 1.581 1.00 0.00 C +ATOM 1613 CD LYS A 110 14.835 13.645 1.474 1.00 0.00 C +ATOM 1614 CE LYS A 110 14.756 12.140 1.336 1.00 0.00 C +ATOM 1615 NZ LYS A 110 14.447 11.718 -0.057 1.00 0.00 N +ATOM 1616 H LYS A 110 11.337 14.697 1.708 1.00 0.00 H +ATOM 1617 HA LYS A 110 12.388 16.537 3.145 1.00 0.00 H +ATOM 1618 HB2 LYS A 110 13.573 16.087 0.673 1.00 0.00 H +ATOM 1619 HB3 LYS A 110 14.257 16.072 2.075 1.00 0.00 H +ATOM 1620 HG2 LYS A 110 13.026 13.933 2.394 1.00 0.00 H +ATOM 1621 HG3 LYS A 110 12.908 13.938 0.839 1.00 0.00 H +ATOM 1622 HD2 LYS A 110 15.298 14.020 0.709 1.00 0.00 H +ATOM 1623 HD3 LYS A 110 15.354 13.875 2.260 1.00 0.00 H +ATOM 1624 HE2 LYS A 110 15.599 11.747 1.612 1.00 0.00 H +ATOM 1625 HE3 LYS A 110 14.074 11.797 1.935 1.00 0.00 H +ATOM 1626 HZ1 LYS A 110 13.595 11.466 -0.109 1.00 0.00 H +ATOM 1627 HZ2 LYS A 110 14.589 12.399 -0.612 1.00 0.00 H +ATOM 1628 HZ3 LYS A 110 14.972 11.036 -0.284 1.00 0.00 H +ATOM 1629 N GLU A 111 11.127 17.588 0.441 1.00 0.00 N +ATOM 1630 CA GLU A 111 10.682 18.750 -0.301 1.00 0.00 C +ATOM 1631 C GLU A 111 9.516 19.426 0.412 1.00 0.00 C +ATOM 1632 O GLU A 111 9.449 20.654 0.478 1.00 0.00 O +ATOM 1633 CB GLU A 111 10.271 18.347 -1.708 1.00 0.00 C +ATOM 1634 CG GLU A 111 10.943 19.175 -2.784 1.00 0.00 C +ATOM 1635 CD GLU A 111 10.461 20.612 -2.803 1.00 0.00 C +ATOM 1636 OE1 GLU A 111 11.054 21.447 -2.088 1.00 0.00 O +ATOM 1637 OE2 GLU A 111 9.490 20.903 -3.533 1.00 0.00 O +ATOM 1638 H GLU A 111 10.868 16.838 0.110 1.00 0.00 H +ATOM 1639 HA GLU A 111 11.417 19.380 -0.356 1.00 0.00 H +ATOM 1640 HB2 GLU A 111 10.486 17.411 -1.846 1.00 0.00 H +ATOM 1641 HB3 GLU A 111 9.309 18.433 -1.795 1.00 0.00 H +ATOM 1642 HG2 GLU A 111 11.903 19.162 -2.645 1.00 0.00 H +ATOM 1643 HG3 GLU A 111 10.776 18.770 -3.650 1.00 0.00 H +ATOM 1644 N LYS A 112 8.594 18.619 0.946 1.00 0.00 N +ATOM 1645 CA LYS A 112 7.447 19.140 1.645 1.00 0.00 C +ATOM 1646 C LYS A 112 7.846 19.998 2.840 1.00 0.00 C +ATOM 1647 O LYS A 112 7.367 21.120 3.003 1.00 0.00 O +ATOM 1648 CB LYS A 112 6.585 17.997 2.100 1.00 0.00 C +ATOM 1649 CG LYS A 112 5.563 17.625 1.065 1.00 0.00 C +ATOM 1650 CD LYS A 112 4.589 16.603 1.576 1.00 0.00 C +ATOM 1651 CE LYS A 112 5.281 15.327 2.034 1.00 0.00 C +ATOM 1652 NZ LYS A 112 4.304 14.297 2.481 1.00 0.00 N +ATOM 1653 H LYS A 112 8.627 17.761 0.907 1.00 0.00 H +ATOM 1654 HA LYS A 112 6.955 19.709 1.033 1.00 0.00 H +ATOM 1655 HB2 LYS A 112 7.143 17.228 2.295 1.00 0.00 H +ATOM 1656 HB3 LYS A 112 6.137 18.238 2.926 1.00 0.00 H +ATOM 1657 HG2 LYS A 112 5.081 18.420 0.788 1.00 0.00 H +ATOM 1658 HG3 LYS A 112 6.012 17.277 0.279 1.00 0.00 H +ATOM 1659 HD2 LYS A 112 4.086 16.979 2.315 1.00 0.00 H +ATOM 1660 HD3 LYS A 112 3.950 16.390 0.878 1.00 0.00 H +ATOM 1661 HE2 LYS A 112 5.816 14.971 1.308 1.00 0.00 H +ATOM 1662 HE3 LYS A 112 5.890 15.532 2.761 1.00 0.00 H +ATOM 1663 HZ1 LYS A 112 4.352 14.206 3.365 1.00 0.00 H +ATOM 1664 HZ2 LYS A 112 3.481 14.549 2.253 1.00 0.00 H +ATOM 1665 HZ3 LYS A 112 4.494 13.519 2.092 1.00 0.00 H +ATOM 1666 N ALA A 113 8.729 19.451 3.673 1.00 0.00 N +ATOM 1667 CA ALA A 113 9.200 20.141 4.865 1.00 0.00 C +ATOM 1668 C ALA A 113 9.816 21.489 4.524 1.00 0.00 C +ATOM 1669 O ALA A 113 9.983 21.830 3.352 1.00 0.00 O +ATOM 1670 CB ALA A 113 10.220 19.286 5.593 1.00 0.00 C +ATOM 1671 H ALA A 113 9.070 18.670 3.561 1.00 0.00 H +ATOM 1672 HA ALA A 113 8.433 20.295 5.438 1.00 0.00 H +ATOM 1673 HB1 ALA A 113 10.528 19.753 6.385 1.00 0.00 H +ATOM 1674 HB2 ALA A 113 9.812 18.445 5.852 1.00 0.00 H +ATOM 1675 HB3 ALA A 113 10.973 19.112 5.007 1.00 0.00 H +ATOM 1676 N SER A 114 10.164 22.247 5.558 1.00 0.00 N +ATOM 1677 CA SER A 114 10.776 23.555 5.375 1.00 0.00 C +ATOM 1678 C SER A 114 11.186 24.155 6.717 1.00 0.00 C +ATOM 1679 O SER A 114 10.339 24.817 7.352 1.00 0.00 O +ATOM 1680 CB SER A 114 9.818 24.502 4.649 1.00 0.00 C +ATOM 1681 OG SER A 114 10.394 25.788 4.492 1.00 0.00 O +ATOM 1682 OXT SER A 114 12.351 23.957 7.121 1.00 0.00 O +ATOM 1683 H SER A 114 10.053 22.019 6.380 1.00 0.00 H +ATOM 1684 HA SER A 114 11.572 23.439 4.832 1.00 0.00 H +ATOM 1685 HB2 SER A 114 9.594 24.136 3.779 1.00 0.00 H +ATOM 1686 HB3 SER A 114 8.989 24.574 5.148 1.00 0.00 H +ATOM 1687 HG SER A 114 10.545 26.122 5.248 1.00 0.00 H +TER 1688 SER A 114 +END