Browse entries in the PDBbind-CN Database
HEADER 1MXL_COMPLEX COMPND 1MXL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 C 89 MET ASP ASP ILE TYR LYS ALA ALA VAL GLU GLN LEU THR SEQRES 2 C 89 GLU GLU GLN LYS ASN GLU PHE LYS ALA ALA PHE ASP ILE SEQRES 3 C 89 PHE VAL LEU GLY ALA GLU ASP GLY CYS ILE SER THR LYS SEQRES 4 C 89 GLU LEU GLY LYS VAL MET ARG MET LEU GLY GLN ASN PRO SEQRES 5 C 89 THR PRO GLU GLU LEU GLN GLU MET ILE ASP GLU VAL ASP SEQRES 6 C 89 GLU ASP GLY SER GLY THR VAL ASP PHE ASP GLU PHE LEU SEQRES 7 C 89 VAL MET MET VAL ARG CYS MET LYS ASP ASP SER HET CA A 1 1 HET ARG A 91 261 ATOM 1 N MET C 1 57.188 -13.865 22.130 1.00 0.00 N ATOM 2 CA MET C 1 56.645 -13.039 21.013 1.00 0.00 C ATOM 3 C MET C 1 56.628 -13.851 19.716 1.00 0.00 C ATOM 4 O MET C 1 56.959 -15.021 19.700 1.00 0.00 O ATOM 5 CB MET C 1 57.606 -11.854 20.895 1.00 0.00 C ATOM 6 CG MET C 1 59.020 -12.370 20.616 1.00 0.00 C ATOM 7 SD MET C 1 59.982 -12.349 22.149 1.00 0.00 S ATOM 8 CE MET C 1 61.500 -11.654 21.455 1.00 0.00 C ATOM 9 HA MET C 1 55.621 -12.715 21.197 1.00 0.00 H ATOM 10 HB2 MET C 1 57.287 -11.207 20.078 1.00 0.00 H ATOM 11 HB3 MET C 1 57.602 -11.289 21.827 1.00 0.00 H ATOM 12 HG2 MET C 1 59.501 -11.731 19.876 1.00 0.00 H ATOM 13 HG3 MET C 1 58.966 -13.389 20.234 1.00 0.00 H ATOM 14 HE1 MET C 1 61.879 -12.317 20.678 1.00 0.00 H ATOM 15 HE2 MET C 1 61.287 -10.675 21.027 1.00 0.00 H ATOM 16 HE3 MET C 1 62.246 -11.553 22.244 1.00 0.00 H ATOM 17 HN3 MET C 1 58.158 -14.162 21.900 1.00 0.00 H ATOM 18 HN2 MET C 1 56.589 -14.705 22.261 1.00 0.00 H ATOM 19 HN1 MET C 1 57.194 -13.302 23.005 1.00 0.00 H ATOM 20 N ASP C 2 56.247 -13.241 18.627 1.00 0.00 N ATOM 21 CA ASP C 2 56.209 -13.980 17.332 1.00 0.00 C ATOM 22 C ASP C 2 56.642 -13.061 16.188 1.00 0.00 C ATOM 23 O ASP C 2 57.287 -12.054 16.399 1.00 0.00 O ATOM 24 CB ASP C 2 54.747 -14.399 17.159 1.00 0.00 C ATOM 25 CG ASP C 2 53.853 -13.157 17.200 1.00 0.00 C ATOM 26 OD1 ASP C 2 54.225 -12.163 16.599 1.00 0.00 O ATOM 27 OD2 ASP C 2 52.812 -13.223 17.832 1.00 0.00 O ATOM 28 HA ASP C 2 56.883 -14.837 17.324 1.00 0.00 H ATOM 29 HB2 ASP C 2 54.624 -14.904 16.201 1.00 0.00 H ATOM 30 HB3 ASP C 2 54.465 -15.077 17.965 1.00 0.00 H ATOM 31 H ASP C 2 55.970 -12.239 18.662 1.00 0.00 H ATOM 32 N ASP C 3 56.289 -13.397 14.977 1.00 0.00 N ATOM 33 CA ASP C 3 56.680 -12.540 13.822 1.00 0.00 C ATOM 34 C ASP C 3 55.439 -12.123 13.029 1.00 0.00 C ATOM 35 O ASP C 3 55.101 -12.722 12.027 1.00 0.00 O ATOM 36 CB ASP C 3 57.593 -13.418 12.966 1.00 0.00 C ATOM 37 CG ASP C 3 59.054 -13.129 13.316 1.00 0.00 C ATOM 38 OD1 ASP C 3 59.389 -11.965 13.461 1.00 0.00 O ATOM 39 OD2 ASP C 3 59.813 -14.077 13.432 1.00 0.00 O ATOM 40 HA ASP C 3 57.177 -11.623 14.139 1.00 0.00 H ATOM 41 HB2 ASP C 3 57.374 -14.468 13.160 1.00 0.00 H ATOM 42 HB3 ASP C 3 57.422 -13.201 11.912 1.00 0.00 H ATOM 43 H ASP C 3 55.735 -14.263 14.818 1.00 0.00 H ATOM 44 N ILE C 4 54.756 -11.102 13.470 1.00 0.00 N ATOM 45 CA ILE C 4 53.537 -10.648 12.742 1.00 0.00 C ATOM 46 C ILE C 4 53.924 -10.022 11.398 1.00 0.00 C ATOM 47 O ILE C 4 53.107 -9.881 10.509 1.00 0.00 O ATOM 48 CB ILE C 4 52.896 -9.603 13.655 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.812 -10.155 15.081 1.00 0.00 C ATOM 50 CG2 ILE C 4 51.489 -9.280 13.151 1.00 0.00 C ATOM 51 CD1 ILE C 4 53.763 -9.374 15.989 1.00 0.00 C ATOM 52 HA ILE C 4 52.857 -11.471 12.524 1.00 0.00 H ATOM 53 HB ILE C 4 53.501 -8.696 13.650 1.00 0.00 H ATOM 54 HG12 ILE C 4 51.792 -10.053 15.450 1.00 0.00 H ATOM 55 HG13 ILE C 4 53.093 -11.208 15.080 1.00 0.00 H ATOM 56 HD11 ILE C 4 54.783 -9.477 15.619 1.00 0.00 H ATOM 57 HD12 ILE C 4 53.480 -8.321 15.990 1.00 0.00 H ATOM 58 HD13 ILE C 4 53.701 -9.769 17.003 1.00 0.00 H ATOM 59 HG21 ILE C 4 51.549 -8.888 12.136 1.00 0.00 H ATOM 60 HG22 ILE C 4 50.885 -10.187 13.157 1.00 0.00 H ATOM 61 HG23 ILE C 4 51.033 -8.535 13.803 1.00 0.00 H ATOM 62 H ILE C 4 55.063 -10.605 14.330 1.00 0.00 H ATOM 63 N TYR C 5 55.164 -9.647 11.243 1.00 0.00 N ATOM 64 CA TYR C 5 55.602 -9.031 9.957 1.00 0.00 C ATOM 65 C TYR C 5 56.205 -10.098 9.040 1.00 0.00 C ATOM 66 O TYR C 5 55.824 -10.233 7.893 1.00 0.00 O ATOM 67 CB TYR C 5 56.661 -8.001 10.350 1.00 0.00 C ATOM 68 CG TYR C 5 56.072 -7.024 11.340 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.212 -6.010 10.897 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.386 -7.132 12.700 1.00 0.00 C ATOM 71 CE1 TYR C 5 54.668 -5.106 11.816 1.00 0.00 C ATOM 72 CE2 TYR C 5 55.840 -6.227 13.618 1.00 0.00 C ATOM 73 CZ TYR C 5 54.981 -5.213 13.176 1.00 0.00 C ATOM 74 OH TYR C 5 54.443 -4.321 14.082 1.00 0.00 O ATOM 75 HA TYR C 5 54.774 -8.576 9.414 1.00 0.00 H ATOM 76 HB3 TYR C 5 56.992 -7.463 9.462 1.00 0.00 H ATOM 77 HB2 TYR C 5 57.512 -8.509 10.803 1.00 0.00 H ATOM 78 HD2 TYR C 5 57.055 -7.920 13.044 1.00 0.00 H ATOM 79 HE2 TYR C 5 56.084 -6.312 14.677 1.00 0.00 H ATOM 80 HE1 TYR C 5 53.999 -4.317 11.472 1.00 0.00 H ATOM 81 HD1 TYR C 5 54.967 -5.926 9.838 1.00 0.00 H ATOM 82 HH TYR C 5 53.864 -3.676 13.604 1.00 0.00 H ATOM 83 H TYR C 5 55.847 -9.778 12.016 1.00 0.00 H ATOM 84 N LYS C 6 57.141 -10.861 9.536 1.00 0.00 N ATOM 85 CA LYS C 6 57.763 -11.920 8.692 1.00 0.00 C ATOM 86 C LYS C 6 56.701 -12.931 8.251 1.00 0.00 C ATOM 87 O LYS C 6 56.838 -13.591 7.241 1.00 0.00 O ATOM 88 CB LYS C 6 58.799 -12.589 9.597 1.00 0.00 C ATOM 89 CG LYS C 6 60.193 -12.063 9.253 1.00 0.00 C ATOM 90 CD LYS C 6 60.855 -11.507 10.516 1.00 0.00 C ATOM 91 CE LYS C 6 60.242 -10.146 10.856 1.00 0.00 C ATOM 92 NZ LYS C 6 61.401 -9.215 10.946 1.00 0.00 N ATOM 93 HA LYS C 6 58.215 -11.517 7.786 1.00 0.00 H ATOM 94 HB2 LYS C 6 58.572 -12.363 10.639 1.00 0.00 H ATOM 95 HB3 LYS C 6 58.770 -13.668 9.446 1.00 0.00 H ATOM 96 HG2 LYS C 6 60.799 -12.875 8.852 1.00 0.00 H ATOM 97 HG3 LYS C 6 60.109 -11.272 8.508 1.00 0.00 H ATOM 98 HD2 LYS C 6 60.693 -12.196 11.345 1.00 0.00 H ATOM 99 HD3 LYS C 6 61.925 -11.391 10.345 1.00 0.00 H ATOM 100 HE2 LYS C 6 59.711 -10.191 11.807 1.00 0.00 H ATOM 101 HE3 LYS C 6 59.554 -9.828 10.072 1.00 0.00 H ATOM 102 HZ1 LYS C 6 62.050 -9.542 11.690 1.00 0.00 H ATOM 103 HZ2 LYS C 6 61.900 -9.195 10.034 1.00 0.00 H ATOM 104 HZ3 LYS C 6 61.060 -8.260 11.177 1.00 0.00 H ATOM 105 H LYS C 6 57.452 -10.730 10.520 1.00 0.00 H ATOM 106 N ALA C 7 55.641 -13.055 9.004 1.00 0.00 N ATOM 107 CA ALA C 7 54.569 -14.019 8.630 1.00 0.00 C ATOM 108 C ALA C 7 53.702 -13.435 7.510 1.00 0.00 C ATOM 109 O ALA C 7 53.379 -14.103 6.550 1.00 0.00 O ATOM 110 CB ALA C 7 53.748 -14.212 9.904 1.00 0.00 C ATOM 111 HA ALA C 7 54.970 -14.963 8.260 1.00 0.00 H ATOM 112 HB1 ALA C 7 54.389 -14.608 10.691 1.00 0.00 H ATOM 113 HB2 ALA C 7 53.336 -13.253 10.218 1.00 0.00 H ATOM 114 HB3 ALA C 7 52.936 -14.912 9.709 1.00 0.00 H ATOM 115 H ALA C 7 55.545 -12.480 9.865 1.00 0.00 H ATOM 116 N ALA C 8 53.326 -12.190 7.626 1.00 0.00 N ATOM 117 CA ALA C 8 52.484 -11.566 6.565 1.00 0.00 C ATOM 118 C ALA C 8 53.222 -11.603 5.224 1.00 0.00 C ATOM 119 O ALA C 8 52.670 -11.983 4.210 1.00 0.00 O ATOM 120 CB ALA C 8 52.271 -10.123 7.023 1.00 0.00 C ATOM 121 HA ALA C 8 51.538 -12.089 6.424 1.00 0.00 H ATOM 122 HB1 ALA C 8 51.767 -10.121 7.989 1.00 0.00 H ATOM 123 HB2 ALA C 8 53.237 -9.626 7.114 1.00 0.00 H ATOM 124 HB3 ALA C 8 51.658 -9.597 6.291 1.00 0.00 H ATOM 125 H ALA C 8 53.613 -11.634 8.457 1.00 0.00 H ATOM 126 N VAL C 9 54.468 -11.215 5.211 1.00 0.00 N ATOM 127 CA VAL C 9 55.240 -11.232 3.937 1.00 0.00 C ATOM 128 C VAL C 9 55.054 -12.575 3.228 1.00 0.00 C ATOM 129 O VAL C 9 54.620 -12.637 2.095 1.00 0.00 O ATOM 130 CB VAL C 9 56.699 -11.047 4.354 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.567 -10.859 3.109 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.818 -9.811 5.250 1.00 0.00 C ATOM 133 HA VAL C 9 54.912 -10.456 3.245 1.00 0.00 H ATOM 134 HB VAL C 9 57.036 -11.928 4.900 1.00 0.00 H ATOM 135 HG11 VAL C 9 57.480 -11.738 2.471 1.00 0.00 H ATOM 136 HG12 VAL C 9 57.231 -9.978 2.563 1.00 0.00 H ATOM 137 HG13 VAL C 9 58.607 -10.727 3.409 1.00 0.00 H ATOM 138 HG21 VAL C 9 56.481 -8.932 4.701 1.00 0.00 H ATOM 139 HG22 VAL C 9 56.199 -9.946 6.137 1.00 0.00 H ATOM 140 HG23 VAL C 9 57.858 -9.678 5.548 1.00 0.00 H ATOM 141 H VAL C 9 54.922 -10.894 6.090 1.00 0.00 H ATOM 142 N GLU C 10 55.377 -13.653 3.889 1.00 0.00 N ATOM 143 CA GLU C 10 55.219 -14.994 3.257 1.00 0.00 C ATOM 144 C GLU C 10 53.752 -15.235 2.893 1.00 0.00 C ATOM 145 O GLU C 10 53.442 -15.976 1.980 1.00 0.00 O ATOM 146 CB GLU C 10 55.681 -15.990 4.320 1.00 0.00 C ATOM 147 CG GLU C 10 56.390 -17.165 3.645 1.00 0.00 C ATOM 148 CD GLU C 10 56.890 -18.142 4.710 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.790 -17.813 5.880 1.00 0.00 O ATOM 150 OE2 GLU C 10 57.363 -19.203 4.338 1.00 0.00 O ATOM 151 HA GLU C 10 55.794 -15.088 2.336 1.00 0.00 H ATOM 152 HB2 GLU C 10 56.369 -15.496 5.006 1.00 0.00 H ATOM 153 HB3 GLU C 10 54.817 -16.357 4.874 1.00 0.00 H ATOM 154 HG2 GLU C 10 55.693 -17.677 2.981 1.00 0.00 H ATOM 155 HG3 GLU C 10 57.236 -16.795 3.066 1.00 0.00 H ATOM 156 H GLU C 10 55.745 -13.576 4.859 1.00 0.00 H ATOM 157 N GLN C 11 52.847 -14.617 3.600 1.00 0.00 N ATOM 158 CA GLN C 11 51.401 -14.812 3.295 1.00 0.00 C ATOM 159 C GLN C 11 50.907 -13.714 2.351 1.00 0.00 C ATOM 160 O GLN C 11 49.793 -13.242 2.460 1.00 0.00 O ATOM 161 CB GLN C 11 50.696 -14.709 4.646 1.00 0.00 C ATOM 162 CG GLN C 11 50.840 -16.035 5.397 1.00 0.00 C ATOM 163 CD GLN C 11 50.493 -15.827 6.873 1.00 0.00 C ATOM 164 OE1 GLN C 11 49.334 -15.777 7.235 1.00 0.00 O ATOM 165 NE2 GLN C 11 51.455 -15.706 7.746 1.00 0.00 N ATOM 166 HA GLN C 11 51.208 -15.766 2.803 1.00 0.00 H ATOM 167 HB2 GLN C 11 51.147 -13.908 5.232 1.00 0.00 H ATOM 168 HB3 GLN C 11 49.639 -14.492 4.490 1.00 0.00 H ATOM 169 HG2 GLN C 11 50.164 -16.773 4.965 1.00 0.00 H ATOM 170 HG3 GLN C 11 51.867 -16.391 5.312 1.00 0.00 H ATOM 171 HE22 GLN C 11 52.447 -15.749 7.436 1.00 0.00 H ATOM 172 HE21 GLN C 11 51.230 -15.567 8.752 1.00 0.00 H ATOM 173 H GLN C 11 53.134 -13.988 4.377 1.00 0.00 H ATOM 174 N LEU C 12 51.728 -13.302 1.424 1.00 0.00 N ATOM 175 CA LEU C 12 51.301 -12.235 0.476 1.00 0.00 C ATOM 176 C LEU C 12 50.905 -12.852 -0.868 1.00 0.00 C ATOM 177 O LEU C 12 51.552 -13.757 -1.361 1.00 0.00 O ATOM 178 CB LEU C 12 52.527 -11.334 0.315 1.00 0.00 C ATOM 179 CG LEU C 12 52.549 -10.293 1.436 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.839 -9.475 1.348 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.344 -9.361 1.287 1.00 0.00 C ATOM 182 HA LEU C 12 50.435 -11.681 0.838 1.00 0.00 H ATOM 183 HB2 LEU C 12 53.432 -11.940 0.364 1.00 0.00 H ATOM 184 HB3 LEU C 12 52.482 -10.828 -0.649 1.00 0.00 H ATOM 185 HG LEU C 12 52.504 -10.797 2.402 1.00 0.00 H ATOM 186 HD21 LEU C 12 51.392 -8.858 0.321 1.00 0.00 H ATOM 187 HD22 LEU C 12 50.425 -9.944 1.349 1.00 0.00 H ATOM 188 HD23 LEU C 12 51.359 -8.619 2.085 1.00 0.00 H ATOM 189 HD11 LEU C 12 54.697 -10.139 1.452 1.00 0.00 H ATOM 190 HD12 LEU C 12 53.883 -8.971 0.383 1.00 0.00 H ATOM 191 HD13 LEU C 12 53.853 -8.734 2.147 1.00 0.00 H ATOM 192 H LEU C 12 52.678 -13.718 1.347 1.00 0.00 H ATOM 193 N THR C 13 49.849 -12.373 -1.467 1.00 0.00 N ATOM 194 CA THR C 13 49.417 -12.937 -2.778 1.00 0.00 C ATOM 195 C THR C 13 49.961 -12.086 -3.927 1.00 0.00 C ATOM 196 O THR C 13 50.429 -10.982 -3.727 1.00 0.00 O ATOM 197 CB THR C 13 47.889 -12.885 -2.749 1.00 0.00 C ATOM 198 OG1 THR C 13 47.469 -11.676 -2.132 1.00 0.00 O ATOM 199 CG2 THR C 13 47.351 -14.079 -1.959 1.00 0.00 C ATOM 200 HA THR C 13 49.787 -13.951 -2.932 1.00 0.00 H ATOM 201 HB THR C 13 47.504 -12.925 -3.768 1.00 0.00 H ATOM 202 HG1 THR C 13 46.480 -11.643 -2.113 1.00 0.00 H ATOM 203 HG23 THR C 13 47.675 -15.004 -2.435 1.00 0.00 H ATOM 204 HG21 THR C 13 47.734 -14.040 -0.939 1.00 0.00 H ATOM 205 HG22 THR C 13 46.262 -14.040 -1.941 1.00 0.00 H ATOM 206 H THR C 13 49.309 -11.599 -1.030 1.00 0.00 H ATOM 207 N GLU C 14 49.903 -12.589 -5.130 1.00 0.00 N ATOM 208 CA GLU C 14 50.416 -11.807 -6.290 1.00 0.00 C ATOM 209 C GLU C 14 49.737 -10.436 -6.345 1.00 0.00 C ATOM 210 O GLU C 14 50.248 -9.502 -6.932 1.00 0.00 O ATOM 211 CB GLU C 14 50.051 -12.638 -7.522 1.00 0.00 C ATOM 212 CG GLU C 14 48.531 -12.783 -7.610 1.00 0.00 C ATOM 213 CD GLU C 14 48.124 -14.189 -7.165 1.00 0.00 C ATOM 214 OE1 GLU C 14 48.985 -15.054 -7.141 1.00 0.00 O ATOM 215 OE2 GLU C 14 46.959 -14.378 -6.856 1.00 0.00 O ATOM 216 HA GLU C 14 51.489 -11.627 -6.225 1.00 0.00 H ATOM 217 HB2 GLU C 14 50.421 -12.140 -8.418 1.00 0.00 H ATOM 218 HB3 GLU C 14 50.506 -13.625 -7.442 1.00 0.00 H ATOM 219 HG2 GLU C 14 48.058 -12.046 -6.962 1.00 0.00 H ATOM 220 HG3 GLU C 14 48.210 -12.620 -8.639 1.00 0.00 H ATOM 221 H GLU C 14 49.499 -13.536 -5.279 1.00 0.00 H ATOM 222 N GLU C 15 48.589 -10.306 -5.738 1.00 0.00 N ATOM 223 CA GLU C 15 47.880 -8.994 -5.756 1.00 0.00 C ATOM 224 C GLU C 15 48.670 -7.953 -4.959 1.00 0.00 C ATOM 225 O GLU C 15 48.780 -6.808 -5.352 1.00 0.00 O ATOM 226 CB GLU C 15 46.529 -9.265 -5.093 1.00 0.00 C ATOM 227 CG GLU C 15 45.773 -10.329 -5.892 1.00 0.00 C ATOM 228 CD GLU C 15 44.801 -9.648 -6.857 1.00 0.00 C ATOM 229 OE1 GLU C 15 45.025 -8.492 -7.173 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.850 -10.294 -7.263 1.00 0.00 O ATOM 231 HA GLU C 15 47.767 -8.600 -6.766 1.00 0.00 H ATOM 232 HB2 GLU C 15 46.688 -9.620 -4.075 1.00 0.00 H ATOM 233 HB3 GLU C 15 45.945 -8.345 -5.069 1.00 0.00 H ATOM 234 HG2 GLU C 15 46.483 -10.932 -6.457 1.00 0.00 H ATOM 235 HG3 GLU C 15 45.217 -10.970 -5.208 1.00 0.00 H ATOM 236 H GLU C 15 48.169 -11.117 -5.242 1.00 0.00 H ATOM 237 N GLN C 16 49.221 -8.341 -3.842 1.00 0.00 N ATOM 238 CA GLN C 16 50.005 -7.372 -3.019 1.00 0.00 C ATOM 239 C GLN C 16 51.424 -7.251 -3.575 1.00 0.00 C ATOM 240 O GLN C 16 51.870 -6.183 -3.944 1.00 0.00 O ATOM 241 CB GLN C 16 50.044 -7.963 -1.604 1.00 0.00 C ATOM 242 CG GLN C 16 48.735 -8.698 -1.299 1.00 0.00 C ATOM 243 CD GLN C 16 48.444 -8.624 0.200 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.655 -9.579 0.921 1.00 0.00 O ATOM 245 NE2 GLN C 16 47.964 -7.520 0.705 1.00 0.00 N ATOM 246 HA GLN C 16 49.559 -6.378 -3.027 1.00 0.00 H ATOM 247 HB2 GLN C 16 50.876 -8.663 -1.529 1.00 0.00 H ATOM 248 HB3 GLN C 16 50.182 -7.159 -0.882 1.00 0.00 H ATOM 249 HG2 GLN C 16 47.919 -8.231 -1.851 1.00 0.00 H ATOM 250 HG3 GLN C 16 48.826 -9.742 -1.600 1.00 0.00 H ATOM 251 HE22 GLN C 16 47.783 -6.702 0.089 1.00 0.00 H ATOM 252 HE21 GLN C 16 47.763 -7.459 1.723 1.00 0.00 H ATOM 253 H GLN C 16 49.114 -9.326 -3.524 1.00 0.00 H ATOM 254 N LYS C 17 52.134 -8.343 -3.636 1.00 0.00 N ATOM 255 CA LYS C 17 53.527 -8.302 -4.167 1.00 0.00 C ATOM 256 C LYS C 17 53.587 -7.446 -5.435 1.00 0.00 C ATOM 257 O LYS C 17 54.441 -6.594 -5.581 1.00 0.00 O ATOM 258 CB LYS C 17 53.868 -9.758 -4.487 1.00 0.00 C ATOM 259 CG LYS C 17 54.468 -10.426 -3.248 1.00 0.00 C ATOM 260 CD LYS C 17 53.982 -11.874 -3.162 1.00 0.00 C ATOM 261 CE LYS C 17 55.022 -12.802 -3.796 1.00 0.00 C ATOM 262 NZ LYS C 17 55.269 -13.864 -2.780 1.00 0.00 N ATOM 263 HA LYS C 17 54.228 -7.863 -3.456 1.00 0.00 H ATOM 264 HB2 LYS C 17 52.962 -10.287 -4.783 1.00 0.00 H ATOM 265 HB3 LYS C 17 54.589 -9.791 -5.303 1.00 0.00 H ATOM 266 HG2 LYS C 17 55.556 -10.411 -3.318 1.00 0.00 H ATOM 267 HG3 LYS C 17 54.155 -9.884 -2.356 1.00 0.00 H ATOM 268 HD2 LYS C 17 53.840 -12.148 -2.117 1.00 0.00 H ATOM 269 HD3 LYS C 17 53.036 -11.972 -3.694 1.00 0.00 H ATOM 270 HE2 LYS C 17 55.941 -12.257 -4.011 1.00 0.00 H ATOM 271 HE3 LYS C 17 54.635 -13.237 -4.718 1.00 0.00 H ATOM 272 HZ1 LYS C 17 55.627 -13.429 -1.906 1.00 0.00 H ATOM 273 HZ2 LYS C 17 54.380 -14.365 -2.581 1.00 0.00 H ATOM 274 HZ3 LYS C 17 55.972 -14.536 -3.147 1.00 0.00 H ATOM 275 H LYS C 17 51.728 -9.245 -3.314 1.00 0.00 H ATOM 276 N ASN C 18 52.689 -7.670 -6.354 1.00 0.00 N ATOM 277 CA ASN C 18 52.696 -6.872 -7.614 1.00 0.00 C ATOM 278 C ASN C 18 52.776 -5.376 -7.297 1.00 0.00 C ATOM 279 O ASN C 18 53.296 -4.596 -8.070 1.00 0.00 O ATOM 280 CB ASN C 18 51.370 -7.203 -8.299 1.00 0.00 C ATOM 281 CG ASN C 18 51.502 -8.522 -9.064 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.575 -9.085 -9.148 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.446 -9.041 -9.629 1.00 0.00 N ATOM 284 HA ASN C 18 53.553 -7.108 -8.245 1.00 0.00 H ATOM 285 HB2 ASN C 18 50.586 -7.296 -7.547 1.00 0.00 H ATOM 286 HB3 ASN C 18 51.111 -6.404 -8.994 1.00 0.00 H ATOM 287 HD22 ASN C 18 49.528 -8.559 -9.557 1.00 0.00 H ATOM 288 HD21 ASN C 18 50.523 -9.937 -10.151 1.00 0.00 H ATOM 289 H ASN C 18 51.968 -8.405 -6.208 1.00 0.00 H ATOM 290 N GLU C 19 52.263 -4.970 -6.168 1.00 0.00 N ATOM 291 CA GLU C 19 52.308 -3.524 -5.807 1.00 0.00 C ATOM 292 C GLU C 19 53.665 -3.173 -5.191 1.00 0.00 C ATOM 293 O GLU C 19 54.280 -2.186 -5.544 1.00 0.00 O ATOM 294 CB GLU C 19 51.191 -3.337 -4.782 1.00 0.00 C ATOM 295 CG GLU C 19 49.834 -3.510 -5.468 1.00 0.00 C ATOM 296 CD GLU C 19 48.973 -2.269 -5.220 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.461 -1.177 -5.457 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.841 -2.434 -4.796 1.00 0.00 O ATOM 299 HA GLU C 19 52.178 -2.878 -6.675 1.00 0.00 H ATOM 300 HB2 GLU C 19 51.296 -4.079 -3.991 1.00 0.00 H ATOM 301 HB3 GLU C 19 51.256 -2.338 -4.352 1.00 0.00 H ATOM 302 HG2 GLU C 19 49.983 -3.641 -6.540 1.00 0.00 H ATOM 303 HG3 GLU C 19 49.331 -4.388 -5.063 1.00 0.00 H ATOM 304 H GLU C 19 51.823 -5.655 -5.520 1.00 0.00 H ATOM 305 N PHE C 20 54.136 -3.970 -4.272 1.00 0.00 N ATOM 306 CA PHE C 20 55.452 -3.678 -3.635 1.00 0.00 C ATOM 307 C PHE C 20 56.567 -3.720 -4.684 1.00 0.00 C ATOM 308 O PHE C 20 57.445 -2.881 -4.701 1.00 0.00 O ATOM 309 CB PHE C 20 55.643 -4.782 -2.596 1.00 0.00 C ATOM 310 CG PHE C 20 54.550 -4.684 -1.560 1.00 0.00 C ATOM 311 CD1 PHE C 20 54.155 -3.431 -1.078 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.929 -5.846 -1.083 1.00 0.00 C ATOM 313 CE1 PHE C 20 53.142 -3.337 -0.118 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.915 -5.752 -0.123 1.00 0.00 C ATOM 315 CZ PHE C 20 52.520 -4.498 0.360 1.00 0.00 C ATOM 316 HA PHE C 20 55.483 -2.687 -3.182 1.00 0.00 H ATOM 317 HB2 PHE C 20 55.596 -5.755 -3.085 1.00 0.00 H ATOM 318 HB3 PHE C 20 56.614 -4.665 -2.114 1.00 0.00 H ATOM 319 HD2 PHE C 20 54.235 -6.822 -1.459 1.00 0.00 H ATOM 320 HE2 PHE C 20 52.432 -6.656 0.249 1.00 0.00 H ATOM 321 HZ PHE C 20 51.730 -4.425 1.107 1.00 0.00 H ATOM 322 HE1 PHE C 20 52.837 -2.361 0.258 1.00 0.00 H ATOM 323 HD1 PHE C 20 54.637 -2.527 -1.451 1.00 0.00 H ATOM 324 H PHE C 20 53.594 -4.809 -3.984 1.00 0.00 H ATOM 325 N LYS C 21 56.538 -4.686 -5.561 1.00 0.00 N ATOM 326 CA LYS C 21 57.597 -4.769 -6.607 1.00 0.00 C ATOM 327 C LYS C 21 57.688 -3.441 -7.361 1.00 0.00 C ATOM 328 O LYS C 21 58.705 -3.110 -7.939 1.00 0.00 O ATOM 329 CB LYS C 21 57.148 -5.890 -7.543 1.00 0.00 C ATOM 330 CG LYS C 21 56.945 -7.177 -6.740 1.00 0.00 C ATOM 331 CD LYS C 21 57.893 -8.259 -7.262 1.00 0.00 C ATOM 332 CE LYS C 21 57.241 -8.989 -8.438 1.00 0.00 C ATOM 333 NZ LYS C 21 57.276 -10.431 -8.064 1.00 0.00 N ATOM 334 HA LYS C 21 58.583 -4.967 -6.186 1.00 0.00 H ATOM 335 HB2 LYS C 21 56.210 -5.609 -8.023 1.00 0.00 H ATOM 336 HB3 LYS C 21 57.910 -6.054 -8.305 1.00 0.00 H ATOM 337 HG2 LYS C 21 57.155 -6.986 -5.688 1.00 0.00 H ATOM 338 HG3 LYS C 21 55.914 -7.514 -6.848 1.00 0.00 H ATOM 339 HD2 LYS C 21 58.824 -7.798 -7.592 1.00 0.00 H ATOM 340 HD3 LYS C 21 58.105 -8.972 -6.465 1.00 0.00 H ATOM 341 HE2 LYS C 21 57.804 -8.817 -9.356 1.00 0.00 H ATOM 342 HE3 LYS C 21 56.213 -8.653 -8.575 1.00 0.00 H ATOM 343 HZ1 LYS C 21 58.263 -10.728 -7.927 1.00 0.00 H ATOM 344 HZ2 LYS C 21 56.744 -10.572 -7.181 1.00 0.00 H ATOM 345 HZ3 LYS C 21 56.845 -10.996 -8.824 1.00 0.00 H ATOM 346 H LYS C 21 55.778 -5.396 -5.530 1.00 0.00 H ATOM 347 N ALA C 22 56.630 -2.677 -7.359 1.00 0.00 N ATOM 348 CA ALA C 22 56.650 -1.370 -8.073 1.00 0.00 C ATOM 349 C ALA C 22 57.619 -0.407 -7.383 1.00 0.00 C ATOM 350 O ALA C 22 58.600 0.020 -7.961 1.00 0.00 O ATOM 351 CB ALA C 22 55.216 -0.846 -7.979 1.00 0.00 C ATOM 352 HA ALA C 22 56.981 -1.468 -9.107 1.00 0.00 H ATOM 353 HB1 ALA C 22 54.539 -1.555 -8.456 1.00 0.00 H ATOM 354 HB2 ALA C 22 54.942 -0.728 -6.931 1.00 0.00 H ATOM 355 HB3 ALA C 22 55.149 0.118 -8.484 1.00 0.00 H ATOM 356 H ALA C 22 55.771 -2.981 -6.858 1.00 0.00 H ATOM 357 N ALA C 23 57.358 -0.063 -6.151 1.00 0.00 N ATOM 358 CA ALA C 23 58.272 0.869 -5.430 1.00 0.00 C ATOM 359 C ALA C 23 59.677 0.268 -5.357 1.00 0.00 C ATOM 360 O ALA C 23 60.660 0.928 -5.625 1.00 0.00 O ATOM 361 CB ALA C 23 57.673 1.018 -4.032 1.00 0.00 C ATOM 362 HA ALA C 23 58.363 1.833 -5.932 1.00 0.00 H ATOM 363 HB1 ALA C 23 56.665 1.426 -4.111 1.00 0.00 H ATOM 364 HB2 ALA C 23 57.634 0.042 -3.549 1.00 0.00 H ATOM 365 HB3 ALA C 23 58.294 1.692 -3.442 1.00 0.00 H ATOM 366 H ALA C 23 56.514 -0.438 -5.673 1.00 0.00 H ATOM 367 N PHE C 24 59.780 -0.986 -5.005 1.00 0.00 N ATOM 368 CA PHE C 24 61.124 -1.625 -4.930 1.00 0.00 C ATOM 369 C PHE C 24 61.926 -1.273 -6.183 1.00 0.00 C ATOM 370 O PHE C 24 63.120 -1.054 -6.130 1.00 0.00 O ATOM 371 CB PHE C 24 60.846 -3.128 -4.868 1.00 0.00 C ATOM 372 CG PHE C 24 62.144 -3.890 -4.995 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.905 -4.170 -3.853 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.586 -4.315 -6.253 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.106 -4.878 -3.969 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.789 -5.022 -6.369 1.00 0.00 C ATOM 377 CZ PHE C 24 64.550 -5.304 -5.227 1.00 0.00 C ATOM 378 HA PHE C 24 61.704 -1.290 -4.070 1.00 0.00 H ATOM 379 HB2 PHE C 24 60.374 -3.371 -3.916 1.00 0.00 H ATOM 380 HB3 PHE C 24 60.180 -3.408 -5.684 1.00 0.00 H ATOM 381 HD2 PHE C 24 61.994 -4.096 -7.142 1.00 0.00 H ATOM 382 HE2 PHE C 24 64.134 -5.353 -7.349 1.00 0.00 H ATOM 383 HZ PHE C 24 65.487 -5.854 -5.318 1.00 0.00 H ATOM 384 HE1 PHE C 24 64.697 -5.098 -3.080 1.00 0.00 H ATOM 385 HD1 PHE C 24 62.561 -3.836 -2.874 1.00 0.00 H ATOM 386 H PHE C 24 58.927 -1.536 -4.778 1.00 0.00 H ATOM 387 N ASP C 25 61.272 -1.205 -7.311 1.00 0.00 N ATOM 388 CA ASP C 25 61.985 -0.854 -8.572 1.00 0.00 C ATOM 389 C ASP C 25 62.357 0.631 -8.560 1.00 0.00 C ATOM 390 O ASP C 25 63.511 0.994 -8.676 1.00 0.00 O ATOM 391 CB ASP C 25 60.982 -1.149 -9.688 1.00 0.00 C ATOM 392 CG ASP C 25 61.684 -1.898 -10.821 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.897 -1.803 -10.908 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.995 -2.555 -11.585 1.00 0.00 O ATOM 395 HA ASP C 25 62.910 -1.416 -8.701 1.00 0.00 H ATOM 396 HB2 ASP C 25 60.171 -1.762 -9.295 1.00 0.00 H ATOM 397 HB3 ASP C 25 60.576 -0.212 -10.069 1.00 0.00 H ATOM 398 H ASP C 25 60.250 -1.396 -7.330 1.00 0.00 H ATOM 399 N ILE C 26 61.387 1.493 -8.415 1.00 0.00 N ATOM 400 CA ILE C 26 61.683 2.954 -8.389 1.00 0.00 C ATOM 401 C ILE C 26 62.563 3.288 -7.182 1.00 0.00 C ATOM 402 O ILE C 26 63.244 4.293 -7.155 1.00 0.00 O ATOM 403 CB ILE C 26 60.319 3.635 -8.262 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.603 3.593 -9.613 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.509 5.091 -7.834 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.655 2.395 -9.648 1.00 0.00 C ATOM 407 HA ILE C 26 62.220 3.284 -9.279 1.00 0.00 H ATOM 408 HB ILE C 26 59.722 3.113 -7.514 1.00 0.00 H ATOM 409 HG12 ILE C 26 59.034 4.512 -9.752 1.00 0.00 H ATOM 410 HG13 ILE C 26 60.338 3.499 -10.412 1.00 0.00 H ATOM 411 HD11 ILE C 26 59.226 1.477 -9.509 1.00 0.00 H ATOM 412 HD12 ILE C 26 57.920 2.491 -8.849 1.00 0.00 H ATOM 413 HD13 ILE C 26 58.145 2.365 -10.611 1.00 0.00 H ATOM 414 HG21 ILE C 26 61.020 5.122 -6.872 1.00 0.00 H ATOM 415 HG22 ILE C 26 61.107 5.613 -8.581 1.00 0.00 H ATOM 416 HG23 ILE C 26 59.535 5.572 -7.745 1.00 0.00 H ATOM 417 H ILE C 26 60.407 1.160 -8.318 1.00 0.00 H ATOM 418 N PHE C 27 62.556 2.446 -6.183 1.00 0.00 N ATOM 419 CA PHE C 27 63.391 2.709 -4.976 1.00 0.00 C ATOM 420 C PHE C 27 64.871 2.481 -5.301 1.00 0.00 C ATOM 421 O PHE C 27 65.744 3.108 -4.737 1.00 0.00 O ATOM 422 CB PHE C 27 62.912 1.695 -3.935 1.00 0.00 C ATOM 423 CG PHE C 27 61.843 2.316 -3.066 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.096 3.405 -3.536 1.00 0.00 C ATOM 425 CD2 PHE C 27 61.597 1.800 -1.788 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.106 3.976 -2.726 1.00 0.00 C ATOM 427 CE2 PHE C 27 60.607 2.371 -0.980 1.00 0.00 C ATOM 428 CZ PHE C 27 59.861 3.459 -1.449 1.00 0.00 C ATOM 429 HA PHE C 27 63.295 3.735 -4.621 1.00 0.00 H ATOM 430 HB2 PHE C 27 62.503 0.821 -4.442 1.00 0.00 H ATOM 431 HB3 PHE C 27 63.753 1.391 -3.312 1.00 0.00 H ATOM 432 HD2 PHE C 27 62.177 0.953 -1.422 1.00 0.00 H ATOM 433 HE2 PHE C 27 60.417 1.968 0.015 1.00 0.00 H ATOM 434 HZ PHE C 27 59.090 3.903 -0.820 1.00 0.00 H ATOM 435 HE1 PHE C 27 59.526 4.824 -3.091 1.00 0.00 H ATOM 436 HD1 PHE C 27 61.285 3.807 -4.531 1.00 0.00 H ATOM 437 H PHE C 27 61.967 1.590 -6.230 1.00 0.00 H ATOM 438 N VAL C 28 65.155 1.583 -6.205 1.00 0.00 N ATOM 439 CA VAL C 28 66.575 1.308 -6.567 1.00 0.00 C ATOM 440 C VAL C 28 66.862 1.800 -7.988 1.00 0.00 C ATOM 441 O VAL C 28 67.799 1.365 -8.627 1.00 0.00 O ATOM 442 CB VAL C 28 66.706 -0.212 -6.498 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.112 -0.719 -5.183 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.953 -0.837 -7.674 1.00 0.00 C ATOM 445 HA VAL C 28 67.277 1.814 -5.905 1.00 0.00 H ATOM 446 HB VAL C 28 67.759 -0.490 -6.548 1.00 0.00 H ATOM 447 HG11 VAL C 28 66.648 -0.270 -4.347 1.00 0.00 H ATOM 448 HG12 VAL C 28 65.059 -0.443 -5.131 1.00 0.00 H ATOM 449 HG13 VAL C 28 66.207 -1.804 -5.137 1.00 0.00 H ATOM 450 HG21 VAL C 28 64.901 -0.558 -7.620 1.00 0.00 H ATOM 451 HG22 VAL C 28 66.379 -0.475 -8.610 1.00 0.00 H ATOM 452 HG23 VAL C 28 66.045 -1.922 -7.627 1.00 0.00 H ATOM 453 H VAL C 28 64.389 1.058 -6.674 1.00 0.00 H ATOM 454 N LEU C 29 66.060 2.697 -8.488 1.00 0.00 N ATOM 455 CA LEU C 29 66.284 3.208 -9.869 1.00 0.00 C ATOM 456 C LEU C 29 67.688 3.807 -9.996 1.00 0.00 C ATOM 457 O LEU C 29 67.885 4.993 -9.821 1.00 0.00 O ATOM 458 CB LEU C 29 65.221 4.289 -10.068 1.00 0.00 C ATOM 459 CG LEU C 29 64.630 4.174 -11.474 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.672 5.339 -11.724 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.760 4.213 -12.506 1.00 0.00 C ATOM 462 HA LEU C 29 66.210 2.418 -10.616 1.00 0.00 H ATOM 463 HB2 LEU C 29 64.430 4.160 -9.330 1.00 0.00 H ATOM 464 HB3 LEU C 29 65.675 5.272 -9.944 1.00 0.00 H ATOM 465 HG LEU C 29 64.087 3.233 -11.563 1.00 0.00 H ATOM 466 HD21 LEU C 29 66.302 5.154 -12.414 1.00 0.00 H ATOM 467 HD22 LEU C 29 66.442 3.381 -12.328 1.00 0.00 H ATOM 468 HD23 LEU C 29 65.338 4.131 -13.508 1.00 0.00 H ATOM 469 HD11 LEU C 29 62.868 5.311 -10.989 1.00 0.00 H ATOM 470 HD12 LEU C 29 64.215 6.280 -11.634 1.00 0.00 H ATOM 471 HD13 LEU C 29 63.253 5.254 -12.727 1.00 0.00 H ATOM 472 H LEU C 29 65.264 3.056 -7.923 1.00 0.00 H ATOM 473 N GLY C 30 68.664 2.996 -10.304 1.00 0.00 N ATOM 474 CA GLY C 30 70.052 3.523 -10.446 1.00 0.00 C ATOM 475 C GLY C 30 70.993 2.761 -9.510 1.00 0.00 C ATOM 476 O GLY C 30 72.187 2.986 -9.499 1.00 0.00 O ATOM 477 HA3 GLY C 30 70.065 4.582 -10.190 1.00 0.00 H ATOM 478 HA2 GLY C 30 70.384 3.396 -11.476 1.00 0.00 H ATOM 479 H GLY C 30 68.474 1.984 -10.450 1.00 0.00 H ATOM 480 N ALA C 31 70.468 1.861 -8.724 1.00 0.00 N ATOM 481 CA ALA C 31 71.338 1.089 -7.790 1.00 0.00 C ATOM 482 C ALA C 31 72.353 0.252 -8.575 1.00 0.00 C ATOM 483 O ALA C 31 72.293 0.160 -9.785 1.00 0.00 O ATOM 484 CB ALA C 31 70.383 0.183 -7.013 1.00 0.00 C ATOM 485 HA ALA C 31 71.910 1.741 -7.129 1.00 0.00 H ATOM 486 HB1 ALA C 31 69.660 0.796 -6.475 1.00 0.00 H ATOM 487 HB2 ALA C 31 69.859 -0.472 -7.709 1.00 0.00 H ATOM 488 HB3 ALA C 31 70.951 -0.418 -6.303 1.00 0.00 H ATOM 489 H ALA C 31 69.444 1.682 -8.749 1.00 0.00 H ATOM 490 N GLU C 32 73.285 -0.356 -7.894 1.00 0.00 N ATOM 491 CA GLU C 32 74.305 -1.186 -8.596 1.00 0.00 C ATOM 492 C GLU C 32 73.906 -2.663 -8.557 1.00 0.00 C ATOM 493 O GLU C 32 73.984 -3.364 -9.546 1.00 0.00 O ATOM 494 CB GLU C 32 75.601 -0.960 -7.815 1.00 0.00 C ATOM 495 CG GLU C 32 76.777 -1.553 -8.591 1.00 0.00 C ATOM 496 CD GLU C 32 77.634 -0.422 -9.161 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.552 0.677 -8.636 1.00 0.00 O ATOM 498 OE2 GLU C 32 78.355 -0.672 -10.111 1.00 0.00 O ATOM 499 HA GLU C 32 74.407 -0.914 -9.647 1.00 0.00 H ATOM 500 HB2 GLU C 32 75.760 0.109 -7.676 1.00 0.00 H ATOM 501 HB3 GLU C 32 75.527 -1.444 -6.841 1.00 0.00 H ATOM 502 HG2 GLU C 32 77.382 -2.166 -7.923 1.00 0.00 H ATOM 503 HG3 GLU C 32 76.400 -2.170 -9.407 1.00 0.00 H ATOM 504 H GLU C 32 73.316 -0.261 -6.859 1.00 0.00 H ATOM 505 N ASP C 33 73.480 -3.141 -7.420 1.00 0.00 N ATOM 506 CA ASP C 33 73.077 -4.573 -7.317 1.00 0.00 C ATOM 507 C ASP C 33 71.552 -4.688 -7.249 1.00 0.00 C ATOM 508 O ASP C 33 70.958 -5.562 -7.851 1.00 0.00 O ATOM 509 CB ASP C 33 73.711 -5.069 -6.017 1.00 0.00 C ATOM 510 CG ASP C 33 73.926 -6.581 -6.097 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.282 -7.053 -7.164 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.730 -7.242 -5.091 1.00 0.00 O ATOM 513 HA ASP C 33 73.402 -5.158 -8.178 1.00 0.00 H ATOM 514 HB2 ASP C 33 74.670 -4.573 -5.868 1.00 0.00 H ATOM 515 HB3 ASP C 33 73.051 -4.840 -5.180 1.00 0.00 H ATOM 516 H ASP C 33 73.422 -2.523 -6.585 1.00 0.00 H ATOM 517 N GLY C 34 70.913 -3.813 -6.522 1.00 0.00 N ATOM 518 CA GLY C 34 69.428 -3.871 -6.414 1.00 0.00 C ATOM 519 C GLY C 34 69.013 -3.601 -4.968 1.00 0.00 C ATOM 520 O GLY C 34 68.185 -4.294 -4.409 1.00 0.00 O ATOM 521 HA3 GLY C 34 69.080 -4.859 -6.714 1.00 0.00 H ATOM 522 HA2 GLY C 34 68.986 -3.118 -7.066 1.00 0.00 H ATOM 523 H GLY C 34 71.441 -3.073 -6.017 1.00 0.00 H ATOM 524 N CYS C 35 69.582 -2.599 -4.357 1.00 0.00 N ATOM 525 CA CYS C 35 69.222 -2.284 -2.945 1.00 0.00 C ATOM 526 C CYS C 35 68.904 -0.792 -2.805 1.00 0.00 C ATOM 527 O CYS C 35 68.749 -0.088 -3.782 1.00 0.00 O ATOM 528 CB CYS C 35 70.464 -2.647 -2.133 1.00 0.00 C ATOM 529 SG CYS C 35 71.020 -4.308 -2.590 1.00 0.00 S ATOM 530 HA CYS C 35 68.341 -2.830 -2.608 1.00 0.00 H ATOM 531 HB2 CYS C 35 70.223 -2.624 -1.070 1.00 0.00 H ATOM 532 HB3 CYS C 35 71.257 -1.928 -2.340 1.00 0.00 H ATOM 533 HG CYS C 35 72.142 -4.634 -1.856 1.00 0.00 H ATOM 534 H CYS C 35 70.287 -2.019 -4.855 1.00 0.00 H ATOM 535 N ILE C 36 68.805 -0.306 -1.598 1.00 0.00 N ATOM 536 CA ILE C 36 68.496 1.141 -1.406 1.00 0.00 C ATOM 537 C ILE C 36 69.512 1.784 -0.457 1.00 0.00 C ATOM 538 O ILE C 36 70.156 1.116 0.327 1.00 0.00 O ATOM 539 CB ILE C 36 67.097 1.174 -0.791 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.068 0.771 -1.849 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.795 2.590 -0.299 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.903 0.041 -1.176 1.00 0.00 C ATOM 543 HA ILE C 36 68.543 1.696 -2.343 1.00 0.00 H ATOM 544 HB ILE C 36 67.048 0.478 0.047 1.00 0.00 H ATOM 545 HG12 ILE C 36 65.696 1.663 -2.353 1.00 0.00 H ATOM 546 HG13 ILE C 36 66.537 0.112 -2.580 1.00 0.00 H ATOM 547 HD11 ILE C 36 65.277 -0.851 -0.673 1.00 0.00 H ATOM 548 HD12 ILE C 36 64.435 0.702 -0.446 1.00 0.00 H ATOM 549 HD13 ILE C 36 64.171 -0.245 -1.931 1.00 0.00 H ATOM 550 HG21 ILE C 36 67.531 2.877 0.452 1.00 0.00 H ATOM 551 HG22 ILE C 36 66.842 3.283 -1.139 1.00 0.00 H ATOM 552 HG23 ILE C 36 65.798 2.616 0.140 1.00 0.00 H ATOM 553 H ILE C 36 68.941 -0.925 -0.773 1.00 0.00 H ATOM 554 N SER C 37 69.656 3.077 -0.528 1.00 0.00 N ATOM 555 CA SER C 37 70.625 3.779 0.360 1.00 0.00 C ATOM 556 C SER C 37 70.238 5.251 0.477 1.00 0.00 C ATOM 557 O SER C 37 71.079 6.118 0.587 1.00 0.00 O ATOM 558 CB SER C 37 71.961 3.648 -0.353 1.00 0.00 C ATOM 559 OG SER C 37 73.014 3.726 0.598 1.00 0.00 O ATOM 560 HA SER C 37 70.650 3.364 1.368 1.00 0.00 H ATOM 561 HB2 SER C 37 72.066 4.454 -1.079 1.00 0.00 H ATOM 562 HB3 SER C 37 72.006 2.688 -0.868 1.00 0.00 H ATOM 563 HG SER C 37 72.972 4.598 1.064 1.00 0.00 H ATOM 564 H SER C 37 69.091 3.623 -1.209 1.00 0.00 H ATOM 565 N THR C 38 68.967 5.524 0.427 1.00 0.00 N ATOM 566 CA THR C 38 68.461 6.934 0.505 1.00 0.00 C ATOM 567 C THR C 38 68.721 7.643 -0.826 1.00 0.00 C ATOM 568 O THR C 38 67.829 8.223 -1.413 1.00 0.00 O ATOM 569 CB THR C 38 69.214 7.632 1.652 1.00 0.00 C ATOM 570 OG1 THR C 38 70.417 8.205 1.161 1.00 0.00 O ATOM 571 CG2 THR C 38 69.528 6.634 2.772 1.00 0.00 C ATOM 572 HA THR C 38 67.388 6.959 0.695 1.00 0.00 H ATOM 573 HB THR C 38 68.581 8.421 2.057 1.00 0.00 H ATOM 574 HG1 THR C 38 70.989 7.493 0.780 1.00 0.00 H ATOM 575 HG23 THR C 38 68.599 6.200 3.142 1.00 0.00 H ATOM 576 HG21 THR C 38 70.170 5.844 2.383 1.00 0.00 H ATOM 577 HG22 THR C 38 70.038 7.151 3.585 1.00 0.00 H ATOM 578 H THR C 38 68.285 4.745 0.331 1.00 0.00 H ATOM 579 N LYS C 39 69.929 7.593 -1.317 1.00 0.00 N ATOM 580 CA LYS C 39 70.223 8.254 -2.619 1.00 0.00 C ATOM 581 C LYS C 39 69.120 7.914 -3.623 1.00 0.00 C ATOM 582 O LYS C 39 68.686 8.748 -4.392 1.00 0.00 O ATOM 583 CB LYS C 39 71.562 7.669 -3.069 1.00 0.00 C ATOM 584 CG LYS C 39 72.599 8.789 -3.171 1.00 0.00 C ATOM 585 CD LYS C 39 72.884 9.088 -4.643 1.00 0.00 C ATOM 586 CE LYS C 39 71.855 10.091 -5.170 1.00 0.00 C ATOM 587 NZ LYS C 39 72.207 10.286 -6.604 1.00 0.00 N ATOM 588 HA LYS C 39 70.267 9.340 -2.540 1.00 0.00 H ATOM 589 HB2 LYS C 39 71.897 6.928 -2.343 1.00 0.00 H ATOM 590 HB3 LYS C 39 71.443 7.194 -4.043 1.00 0.00 H ATOM 591 HG2 LYS C 39 72.214 9.686 -2.686 1.00 0.00 H ATOM 592 HG3 LYS C 39 73.520 8.478 -2.678 1.00 0.00 H ATOM 593 HD2 LYS C 39 73.885 9.509 -4.741 1.00 0.00 H ATOM 594 HD3 LYS C 39 72.821 8.165 -5.220 1.00 0.00 H ATOM 595 HE2 LYS C 39 71.925 11.033 -4.626 1.00 0.00 H ATOM 596 HE3 LYS C 39 70.846 9.691 -5.074 1.00 0.00 H ATOM 597 HZ1 LYS C 39 73.176 10.656 -6.675 1.00 0.00 H ATOM 598 HZ2 LYS C 39 72.146 9.375 -7.102 1.00 0.00 H ATOM 599 HZ3 LYS C 39 71.544 10.962 -7.034 1.00 0.00 H ATOM 600 H LYS C 39 70.682 7.094 -0.802 1.00 0.00 H ATOM 601 N GLU C 40 68.654 6.693 -3.613 1.00 0.00 N ATOM 602 CA GLU C 40 67.568 6.300 -4.558 1.00 0.00 C ATOM 603 C GLU C 40 66.210 6.465 -3.876 1.00 0.00 C ATOM 604 O GLU C 40 65.245 6.893 -4.479 1.00 0.00 O ATOM 605 CB GLU C 40 67.823 4.826 -4.884 1.00 0.00 C ATOM 606 CG GLU C 40 69.319 4.592 -5.099 1.00 0.00 C ATOM 607 CD GLU C 40 69.780 5.352 -6.343 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.971 6.068 -6.910 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.935 5.206 -6.709 1.00 0.00 O ATOM 610 HA GLU C 40 67.562 6.915 -5.458 1.00 0.00 H ATOM 611 HB2 GLU C 40 67.475 4.207 -4.057 1.00 0.00 H ATOM 612 HB3 GLU C 40 67.281 4.557 -5.790 1.00 0.00 H ATOM 613 HG2 GLU C 40 69.871 4.948 -4.230 1.00 0.00 H ATOM 614 HG3 GLU C 40 69.505 3.526 -5.234 1.00 0.00 H ATOM 615 H GLU C 40 69.040 5.995 -2.946 1.00 0.00 H ATOM 616 N LEU C 41 66.132 6.128 -2.617 1.00 0.00 N ATOM 617 CA LEU C 41 64.844 6.260 -1.880 1.00 0.00 C ATOM 618 C LEU C 41 64.394 7.724 -1.858 1.00 0.00 C ATOM 619 O LEU C 41 63.308 8.055 -2.292 1.00 0.00 O ATOM 620 CB LEU C 41 65.155 5.770 -0.464 1.00 0.00 C ATOM 621 CG LEU C 41 63.864 5.330 0.225 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.811 6.427 0.074 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.353 4.039 -0.420 1.00 0.00 C ATOM 624 HA LEU C 41 64.038 5.691 -2.343 1.00 0.00 H ATOM 625 HB2 LEU C 41 65.844 4.927 -0.515 1.00 0.00 H ATOM 626 HB3 LEU C 41 65.613 6.578 0.107 1.00 0.00 H ATOM 627 HG LEU C 41 64.058 5.153 1.283 1.00 0.00 H ATOM 628 HD21 LEU C 41 63.158 4.215 -1.478 1.00 0.00 H ATOM 629 HD22 LEU C 41 64.106 3.258 -0.313 1.00 0.00 H ATOM 630 HD23 LEU C 41 62.432 3.728 0.073 1.00 0.00 H ATOM 631 HD11 LEU C 41 63.176 7.345 0.534 1.00 0.00 H ATOM 632 HD12 LEU C 41 62.619 6.601 -0.985 1.00 0.00 H ATOM 633 HD13 LEU C 41 61.889 6.114 0.565 1.00 0.00 H ATOM 634 H LEU C 41 66.974 5.765 -2.126 1.00 0.00 H ATOM 635 N GLY C 42 65.219 8.601 -1.356 1.00 0.00 N ATOM 636 CA GLY C 42 64.837 10.041 -1.307 1.00 0.00 C ATOM 637 C GLY C 42 64.341 10.487 -2.683 1.00 0.00 C ATOM 638 O GLY C 42 63.418 11.267 -2.797 1.00 0.00 O ATOM 639 HA3 GLY C 42 65.704 10.637 -1.023 1.00 0.00 H ATOM 640 HA2 GLY C 42 64.044 10.182 -0.572 1.00 0.00 H ATOM 641 H GLY C 42 66.143 8.295 -0.990 1.00 0.00 H ATOM 642 N LYS C 43 64.946 9.995 -3.731 1.00 0.00 N ATOM 643 CA LYS C 43 64.505 10.392 -5.099 1.00 0.00 C ATOM 644 C LYS C 43 62.984 10.277 -5.217 1.00 0.00 C ATOM 645 O LYS C 43 62.350 11.013 -5.948 1.00 0.00 O ATOM 646 CB LYS C 43 65.193 9.404 -6.041 1.00 0.00 C ATOM 647 CG LYS C 43 66.021 10.174 -7.072 1.00 0.00 C ATOM 648 CD LYS C 43 67.056 9.240 -7.698 1.00 0.00 C ATOM 649 CE LYS C 43 66.684 8.969 -9.158 1.00 0.00 C ATOM 650 NZ LYS C 43 65.239 8.612 -9.127 1.00 0.00 N ATOM 651 HA LYS C 43 64.765 11.424 -5.333 1.00 0.00 H ATOM 652 HB2 LYS C 43 65.847 8.748 -5.466 1.00 0.00 H ATOM 653 HB3 LYS C 43 64.440 8.805 -6.553 1.00 0.00 H ATOM 654 HG2 LYS C 43 65.363 10.561 -7.850 1.00 0.00 H ATOM 655 HG3 LYS C 43 66.530 11.004 -6.582 1.00 0.00 H ATOM 656 HD2 LYS C 43 68.040 9.707 -7.654 1.00 0.00 H ATOM 657 HD3 LYS C 43 67.077 8.299 -7.148 1.00 0.00 H ATOM 658 HE2 LYS C 43 67.274 8.144 -9.557 1.00 0.00 H ATOM 659 HE3 LYS C 43 66.846 9.859 -9.767 1.00 0.00 H ATOM 660 HZ1 LYS C 43 65.104 7.769 -8.533 1.00 0.00 H ATOM 661 HZ2 LYS C 43 64.695 9.406 -8.733 1.00 0.00 H ATOM 662 HZ3 LYS C 43 64.912 8.412 -10.094 1.00 0.00 H ATOM 663 H LYS C 43 65.734 9.327 -3.611 1.00 0.00 H ATOM 664 N VAL C 44 62.392 9.360 -4.503 1.00 0.00 N ATOM 665 CA VAL C 44 60.911 9.199 -4.574 1.00 0.00 C ATOM 666 C VAL C 44 60.226 10.217 -3.657 1.00 0.00 C ATOM 667 O VAL C 44 59.162 10.720 -3.956 1.00 0.00 O ATOM 668 CB VAL C 44 60.643 7.775 -4.086 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.156 7.620 -3.760 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.029 6.779 -5.181 1.00 0.00 C ATOM 671 HA VAL C 44 60.525 9.364 -5.580 1.00 0.00 H ATOM 672 HB VAL C 44 61.235 7.580 -3.192 1.00 0.00 H ATOM 673 HG11 VAL C 44 58.880 8.330 -2.980 1.00 0.00 H ATOM 674 HG12 VAL C 44 58.567 7.815 -4.656 1.00 0.00 H ATOM 675 HG13 VAL C 44 58.966 6.605 -3.412 1.00 0.00 H ATOM 676 HG21 VAL C 44 60.436 6.975 -6.074 1.00 0.00 H ATOM 677 HG22 VAL C 44 62.088 6.890 -5.415 1.00 0.00 H ATOM 678 HG23 VAL C 44 60.837 5.764 -4.832 1.00 0.00 H ATOM 679 H VAL C 44 62.953 8.741 -3.884 1.00 0.00 H ATOM 680 N MET C 45 60.830 10.522 -2.542 1.00 0.00 N ATOM 681 CA MET C 45 60.214 11.505 -1.605 1.00 0.00 C ATOM 682 C MET C 45 59.821 12.778 -2.358 1.00 0.00 C ATOM 683 O MET C 45 58.682 13.202 -2.323 1.00 0.00 O ATOM 684 CB MET C 45 61.302 11.805 -0.573 1.00 0.00 C ATOM 685 CG MET C 45 61.687 10.514 0.154 1.00 0.00 C ATOM 686 SD MET C 45 60.199 9.741 0.836 1.00 0.00 S ATOM 687 CE MET C 45 59.766 8.757 -0.620 1.00 0.00 C ATOM 688 HA MET C 45 59.307 11.120 -1.139 1.00 0.00 H ATOM 689 HB2 MET C 45 62.178 12.214 -1.077 1.00 0.00 H ATOM 690 HB3 MET C 45 60.928 12.531 0.149 1.00 0.00 H ATOM 691 HG2 MET C 45 62.381 10.745 0.963 1.00 0.00 H ATOM 692 HG3 MET C 45 62.164 9.830 -0.548 1.00 0.00 H ATOM 693 HE1 MET C 45 59.598 9.420 -1.468 1.00 0.00 H ATOM 694 HE2 MET C 45 60.582 8.072 -0.849 1.00 0.00 H ATOM 695 HE3 MET C 45 58.859 8.188 -0.416 1.00 0.00 H ATOM 696 H MET C 45 61.741 10.080 -2.306 1.00 0.00 H ATOM 697 N ARG C 46 60.749 13.393 -3.041 1.00 0.00 N ATOM 698 CA ARG C 46 60.412 14.636 -3.793 1.00 0.00 C ATOM 699 C ARG C 46 59.106 14.434 -4.563 1.00 0.00 C ATOM 700 O ARG C 46 58.307 15.338 -4.699 1.00 0.00 O ATOM 701 CB ARG C 46 61.582 14.861 -4.752 1.00 0.00 C ATOM 702 CG ARG C 46 61.851 13.583 -5.548 1.00 0.00 C ATOM 703 CD ARG C 46 62.837 13.886 -6.679 1.00 0.00 C ATOM 704 NE ARG C 46 62.106 14.812 -7.588 1.00 0.00 N ATOM 705 CZ ARG C 46 62.769 15.586 -8.402 1.00 0.00 C ATOM 706 NH1 ARG C 46 63.580 15.066 -9.282 1.00 0.00 N ATOM 707 NH2 ARG C 46 62.622 16.882 -8.335 1.00 0.00 N ATOM 708 HA ARG C 46 60.268 15.494 -3.136 1.00 0.00 H ATOM 709 HB2 ARG C 46 61.337 15.671 -5.439 1.00 0.00 H ATOM 710 HB3 ARG C 46 62.472 15.127 -4.182 1.00 0.00 H ATOM 711 HG2 ARG C 46 62.275 12.826 -4.888 1.00 0.00 H ATOM 712 HG3 ARG C 46 60.916 13.213 -5.969 1.00 0.00 H ATOM 713 HD2 ARG C 46 63.112 12.971 -7.204 1.00 0.00 H ATOM 714 HD3 ARG C 46 63.736 14.363 -6.287 1.00 0.00 H ATOM 715 HE ARG C 46 61.067 14.841 -7.574 1.00 0.00 H ATOM 716 HH12 ARG C 46 64.108 15.683 -9.931 1.00 0.00 H ATOM 717 HH11 ARG C 46 63.698 14.034 -9.335 1.00 0.00 H ATOM 718 HH22 ARG C 46 63.150 17.500 -8.984 1.00 0.00 H ATOM 719 HH21 ARG C 46 61.976 17.297 -7.633 1.00 0.00 H ATOM 720 H ARG C 46 61.719 13.018 -3.060 1.00 0.00 H ATOM 721 N MET C 47 58.878 13.246 -5.057 1.00 0.00 N ATOM 722 CA MET C 47 57.617 12.979 -5.805 1.00 0.00 C ATOM 723 C MET C 47 56.501 12.630 -4.819 1.00 0.00 C ATOM 724 O MET C 47 55.343 12.920 -5.044 1.00 0.00 O ATOM 725 CB MET C 47 57.931 11.781 -6.704 1.00 0.00 C ATOM 726 CG MET C 47 59.061 12.145 -7.668 1.00 0.00 C ATOM 727 SD MET C 47 59.070 10.978 -9.051 1.00 0.00 S ATOM 728 CE MET C 47 58.985 9.461 -8.068 1.00 0.00 C ATOM 729 HA MET C 47 57.284 13.840 -6.384 1.00 0.00 H ATOM 730 HB2 MET C 47 58.237 10.935 -6.088 1.00 0.00 H ATOM 731 HB3 MET C 47 57.041 11.511 -7.273 1.00 0.00 H ATOM 732 HG2 MET C 47 60.016 12.096 -7.145 1.00 0.00 H ATOM 733 HG3 MET C 47 58.906 13.156 -8.046 1.00 0.00 H ATOM 734 HE1 MET C 47 59.852 9.407 -7.409 1.00 0.00 H ATOM 735 HE2 MET C 47 58.073 9.467 -7.471 1.00 0.00 H ATOM 736 HE3 MET C 47 58.979 8.598 -8.734 1.00 0.00 H ATOM 737 H MET C 47 59.577 12.487 -4.928 1.00 0.00 H ATOM 738 N LEU C 48 56.848 12.012 -3.724 1.00 0.00 N ATOM 739 CA LEU C 48 55.821 11.641 -2.710 1.00 0.00 C ATOM 740 C LEU C 48 55.265 12.901 -2.040 1.00 0.00 C ATOM 741 O LEU C 48 54.301 12.849 -1.302 1.00 0.00 O ATOM 742 CB LEU C 48 56.572 10.779 -1.696 1.00 0.00 C ATOM 743 CG LEU C 48 56.074 9.333 -1.770 1.00 0.00 C ATOM 744 CD1 LEU C 48 54.709 9.231 -1.090 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.948 8.904 -3.234 1.00 0.00 C ATOM 746 HA LEU C 48 54.972 11.114 -3.146 1.00 0.00 H ATOM 747 HB2 LEU C 48 57.639 10.806 -1.918 1.00 0.00 H ATOM 748 HB3 LEU C 48 56.401 11.169 -0.693 1.00 0.00 H ATOM 749 HG LEU C 48 56.785 8.680 -1.264 1.00 0.00 H ATOM 750 HD21 LEU C 48 55.239 9.557 -3.743 1.00 0.00 H ATOM 751 HD22 LEU C 48 56.922 8.976 -3.718 1.00 0.00 H ATOM 752 HD23 LEU C 48 55.593 7.874 -3.280 1.00 0.00 H ATOM 753 HD11 LEU C 48 54.801 9.532 -0.046 1.00 0.00 H ATOM 754 HD12 LEU C 48 54.002 9.887 -1.598 1.00 0.00 H ATOM 755 HD13 LEU C 48 54.354 8.202 -1.143 1.00 0.00 H ATOM 756 H LEU C 48 57.847 11.777 -3.558 1.00 0.00 H ATOM 757 N GLY C 49 55.866 14.032 -2.292 1.00 0.00 N ATOM 758 CA GLY C 49 55.374 15.292 -1.670 1.00 0.00 C ATOM 759 C GLY C 49 56.242 15.642 -0.460 1.00 0.00 C ATOM 760 O GLY C 49 55.825 16.359 0.429 1.00 0.00 O ATOM 761 HA3 GLY C 49 54.341 15.159 -1.349 1.00 0.00 H ATOM 762 HA2 GLY C 49 55.425 16.101 -2.399 1.00 0.00 H ATOM 763 H GLY C 49 56.689 14.053 -2.928 1.00 0.00 H ATOM 764 N GLN C 50 57.447 15.143 -0.417 1.00 0.00 N ATOM 765 CA GLN C 50 58.339 15.449 0.738 1.00 0.00 C ATOM 766 C GLN C 50 59.808 15.407 0.301 1.00 0.00 C ATOM 767 O GLN C 50 60.115 15.410 -0.875 1.00 0.00 O ATOM 768 CB GLN C 50 58.051 14.351 1.763 1.00 0.00 C ATOM 769 CG GLN C 50 57.076 14.883 2.816 1.00 0.00 C ATOM 770 CD GLN C 50 55.647 14.491 2.435 1.00 0.00 C ATOM 771 OE1 GLN C 50 55.437 13.524 1.731 1.00 0.00 O ATOM 772 NE2 GLN C 50 54.648 15.207 2.875 1.00 0.00 N ATOM 773 HA GLN C 50 58.159 16.444 1.146 1.00 0.00 H ATOM 774 HB2 GLN C 50 57.610 13.490 1.260 1.00 0.00 H ATOM 775 HB3 GLN C 50 58.981 14.051 2.246 1.00 0.00 H ATOM 776 HG2 GLN C 50 57.323 14.456 3.788 1.00 0.00 H ATOM 777 HG3 GLN C 50 57.153 15.969 2.867 1.00 0.00 H ATOM 778 HE22 GLN C 50 54.828 16.035 3.478 1.00 0.00 H ATOM 779 HE21 GLN C 50 53.673 14.949 2.623 1.00 0.00 H ATOM 780 H GLN C 50 57.785 14.532 -1.188 1.00 0.00 H ATOM 781 N ASN C 51 60.716 15.366 1.238 1.00 0.00 N ATOM 782 CA ASN C 51 62.163 15.323 0.873 1.00 0.00 C ATOM 783 C ASN C 51 63.024 15.239 2.136 1.00 0.00 C ATOM 784 O ASN C 51 63.491 16.242 2.639 1.00 0.00 O ATOM 785 CB ASN C 51 62.424 16.634 0.130 1.00 0.00 C ATOM 786 CG ASN C 51 63.227 16.349 -1.141 1.00 0.00 C ATOM 787 OD1 ASN C 51 62.912 15.437 -1.881 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.257 17.096 -1.430 1.00 0.00 N ATOM 789 HA ASN C 51 62.410 14.454 0.263 1.00 0.00 H ATOM 790 HB2 ASN C 51 61.474 17.096 -0.136 1.00 0.00 H ATOM 791 HB3 ASN C 51 62.988 17.310 0.773 1.00 0.00 H ATOM 792 HD22 ASN C 51 64.527 17.876 -0.798 1.00 0.00 H ATOM 793 HD21 ASN C 51 64.808 16.911 -2.293 1.00 0.00 H ATOM 794 H ASN C 51 60.432 15.363 2.238 1.00 0.00 H ATOM 795 N PRO C 52 63.205 14.035 2.607 1.00 0.00 N ATOM 796 CA PRO C 52 64.018 13.804 3.826 1.00 0.00 C ATOM 797 C PRO C 52 65.510 13.960 3.513 1.00 0.00 C ATOM 798 O PRO C 52 65.933 13.842 2.380 1.00 0.00 O ATOM 799 CB PRO C 52 63.694 12.363 4.205 1.00 0.00 C ATOM 800 CG PRO C 52 63.263 11.711 2.929 1.00 0.00 C ATOM 801 CD PRO C 52 62.673 12.787 2.051 1.00 0.00 C ATOM 802 HA PRO C 52 63.799 14.511 4.626 1.00 0.00 H ATOM 803 HD3 PRO C 52 62.989 12.659 1.016 1.00 0.00 H ATOM 804 HD2 PRO C 52 61.584 12.774 2.101 1.00 0.00 H ATOM 805 HG3 PRO C 52 62.515 10.946 3.135 1.00 0.00 H ATOM 806 HG2 PRO C 52 64.121 11.255 2.435 1.00 0.00 H ATOM 807 HB2 PRO C 52 64.576 11.866 4.610 1.00 0.00 H ATOM 808 HB3 PRO C 52 62.891 12.332 4.941 1.00 0.00 H ATOM 809 N THR C 53 66.310 14.221 4.512 1.00 0.00 N ATOM 810 CA THR C 53 67.773 14.381 4.275 1.00 0.00 C ATOM 811 C THR C 53 68.454 13.009 4.245 1.00 0.00 C ATOM 812 O THR C 53 67.851 12.009 4.577 1.00 0.00 O ATOM 813 CB THR C 53 68.277 15.204 5.463 1.00 0.00 C ATOM 814 OG1 THR C 53 67.456 14.950 6.594 1.00 0.00 O ATOM 815 CG2 THR C 53 68.225 16.692 5.115 1.00 0.00 C ATOM 816 HA THR C 53 67.989 14.865 3.323 1.00 0.00 H ATOM 817 HB THR C 53 69.306 14.924 5.690 1.00 0.00 H ATOM 818 HG1 THR C 53 67.782 15.482 7.363 1.00 0.00 H ATOM 819 HG23 THR C 53 68.856 16.883 4.247 1.00 0.00 H ATOM 820 HG21 THR C 53 67.197 16.975 4.888 1.00 0.00 H ATOM 821 HG22 THR C 53 68.585 17.275 5.963 1.00 0.00 H ATOM 822 H THR C 53 65.926 14.317 5.474 1.00 0.00 H ATOM 823 N PRO C 54 69.698 13.011 3.845 1.00 0.00 N ATOM 824 CA PRO C 54 70.475 11.750 3.768 1.00 0.00 C ATOM 825 C PRO C 54 70.829 11.256 5.174 1.00 0.00 C ATOM 826 O PRO C 54 71.040 10.079 5.394 1.00 0.00 O ATOM 827 CB PRO C 54 71.730 12.150 2.997 1.00 0.00 C ATOM 828 CG PRO C 54 71.875 13.620 3.229 1.00 0.00 C ATOM 829 CD PRO C 54 70.488 14.175 3.431 1.00 0.00 C ATOM 830 HA PRO C 54 69.930 10.937 3.289 1.00 0.00 H ATOM 831 HD3 PRO C 54 70.486 14.941 4.206 1.00 0.00 H ATOM 832 HD2 PRO C 54 70.100 14.597 2.504 1.00 0.00 H ATOM 833 HG3 PRO C 54 72.344 14.091 2.365 1.00 0.00 H ATOM 834 HG2 PRO C 54 72.483 13.801 4.115 1.00 0.00 H ATOM 835 HB2 PRO C 54 72.600 11.614 3.376 1.00 0.00 H ATOM 836 HB3 PRO C 54 71.610 11.940 1.934 1.00 0.00 H ATOM 837 N GLU C 55 70.896 12.143 6.127 1.00 0.00 N ATOM 838 CA GLU C 55 71.234 11.721 7.516 1.00 0.00 C ATOM 839 C GLU C 55 70.018 11.072 8.182 1.00 0.00 C ATOM 840 O GLU C 55 70.144 10.157 8.971 1.00 0.00 O ATOM 841 CB GLU C 55 71.622 13.009 8.242 1.00 0.00 C ATOM 842 CG GLU C 55 72.898 12.773 9.054 1.00 0.00 C ATOM 843 CD GLU C 55 72.543 12.092 10.377 1.00 0.00 C ATOM 844 OE1 GLU C 55 71.969 11.017 10.332 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.853 12.657 11.412 1.00 0.00 O ATOM 846 HA GLU C 55 72.038 10.986 7.539 1.00 0.00 H ATOM 847 HB2 GLU C 55 71.797 13.799 7.512 1.00 0.00 H ATOM 848 HB3 GLU C 55 70.815 13.306 8.911 1.00 0.00 H ATOM 849 HG2 GLU C 55 73.577 12.135 8.488 1.00 0.00 H ATOM 850 HG3 GLU C 55 73.383 13.728 9.255 1.00 0.00 H ATOM 851 H GLU C 55 70.714 13.145 5.918 1.00 0.00 H ATOM 852 N GLU C 56 68.839 11.538 7.870 1.00 0.00 N ATOM 853 CA GLU C 56 67.618 10.944 8.486 1.00 0.00 C ATOM 854 C GLU C 56 67.093 9.797 7.619 1.00 0.00 C ATOM 855 O GLU C 56 66.590 8.810 8.117 1.00 0.00 O ATOM 856 CB GLU C 56 66.603 12.086 8.540 1.00 0.00 C ATOM 857 CG GLU C 56 65.897 12.076 9.898 1.00 0.00 C ATOM 858 CD GLU C 56 65.661 13.515 10.361 1.00 0.00 C ATOM 859 OE1 GLU C 56 66.633 14.238 10.502 1.00 0.00 O ATOM 860 OE2 GLU C 56 64.512 13.868 10.568 1.00 0.00 O ATOM 861 HA GLU C 56 67.815 10.529 9.475 1.00 0.00 H ATOM 862 HB2 GLU C 56 67.118 13.037 8.405 1.00 0.00 H ATOM 863 HB3 GLU C 56 65.867 11.957 7.746 1.00 0.00 H ATOM 864 HG2 GLU C 56 64.940 11.562 9.807 1.00 0.00 H ATOM 865 HG3 GLU C 56 66.519 11.557 10.627 1.00 0.00 H ATOM 866 H GLU C 56 68.752 12.322 7.193 1.00 0.00 H ATOM 867 N LEU C 57 67.208 9.918 6.323 1.00 0.00 N ATOM 868 CA LEU C 57 66.718 8.830 5.427 1.00 0.00 C ATOM 869 C LEU C 57 67.118 7.468 5.995 1.00 0.00 C ATOM 870 O LEU C 57 66.366 6.514 5.941 1.00 0.00 O ATOM 871 CB LEU C 57 67.415 9.073 4.088 1.00 0.00 C ATOM 872 CG LEU C 57 66.492 9.871 3.166 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.333 10.655 2.157 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.567 8.909 2.416 1.00 0.00 C ATOM 875 HA LEU C 57 65.633 8.833 5.327 1.00 0.00 H ATOM 876 HB2 LEU C 57 68.335 9.633 4.254 1.00 0.00 H ATOM 877 HB3 LEU C 57 67.653 8.116 3.624 1.00 0.00 H ATOM 878 HG LEU C 57 65.896 10.564 3.760 1.00 0.00 H ATOM 879 HD21 LEU C 57 66.167 8.219 1.823 1.00 0.00 H ATOM 880 HD22 LEU C 57 64.969 8.348 3.134 1.00 0.00 H ATOM 881 HD23 LEU C 57 64.909 9.478 1.759 1.00 0.00 H ATOM 882 HD11 LEU C 57 67.994 11.338 2.690 1.00 0.00 H ATOM 883 HD12 LEU C 57 67.928 9.960 1.564 1.00 0.00 H ATOM 884 HD13 LEU C 57 66.674 11.223 1.500 1.00 0.00 H ATOM 885 H LEU C 57 67.641 10.772 5.916 1.00 0.00 H ATOM 886 N GLN C 58 68.300 7.370 6.541 1.00 0.00 N ATOM 887 CA GLN C 58 68.752 6.072 7.116 1.00 0.00 C ATOM 888 C GLN C 58 67.642 5.462 7.976 1.00 0.00 C ATOM 889 O GLN C 58 67.521 4.259 8.092 1.00 0.00 O ATOM 890 CB GLN C 58 69.969 6.426 7.971 1.00 0.00 C ATOM 891 CG GLN C 58 71.093 5.422 7.708 1.00 0.00 C ATOM 892 CD GLN C 58 70.762 4.092 8.386 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.015 4.055 9.345 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.288 2.990 7.928 1.00 0.00 N ATOM 895 HA GLN C 58 68.995 5.337 6.349 1.00 0.00 H ATOM 896 HB2 GLN C 58 70.312 7.429 7.717 1.00 0.00 H ATOM 897 HB3 GLN C 58 69.693 6.394 9.025 1.00 0.00 H ATOM 898 HG2 GLN C 58 71.197 5.266 6.634 1.00 0.00 H ATOM 899 HG3 GLN C 58 72.029 5.811 8.109 1.00 0.00 H ATOM 900 HE22 GLN C 58 71.927 3.020 7.108 1.00 0.00 H ATOM 901 HE21 GLN C 58 71.069 2.081 8.383 1.00 0.00 H ATOM 902 H GLN C 58 68.927 8.199 6.575 1.00 0.00 H ATOM 903 N GLU C 59 66.825 6.285 8.578 1.00 0.00 N ATOM 904 CA GLU C 59 65.719 5.751 9.424 1.00 0.00 C ATOM 905 C GLU C 59 64.831 4.822 8.594 1.00 0.00 C ATOM 906 O GLU C 59 64.433 3.764 9.040 1.00 0.00 O ATOM 907 CB GLU C 59 64.934 6.984 9.875 1.00 0.00 C ATOM 908 CG GLU C 59 63.806 6.556 10.816 1.00 0.00 C ATOM 909 CD GLU C 59 63.911 7.335 12.128 1.00 0.00 C ATOM 910 OE1 GLU C 59 64.649 8.307 12.159 1.00 0.00 O ATOM 911 OE2 GLU C 59 63.252 6.948 13.078 1.00 0.00 O ATOM 912 HA GLU C 59 66.085 5.172 10.272 1.00 0.00 H ATOM 913 HB2 GLU C 59 65.602 7.669 10.397 1.00 0.00 H ATOM 914 HB3 GLU C 59 64.511 7.484 9.004 1.00 0.00 H ATOM 915 HG2 GLU C 59 62.844 6.762 10.347 1.00 0.00 H ATOM 916 HG3 GLU C 59 63.888 5.488 11.020 1.00 0.00 H ATOM 917 H GLU C 59 66.946 7.312 8.467 1.00 0.00 H ATOM 918 N MET C 60 64.524 5.208 7.386 1.00 0.00 N ATOM 919 CA MET C 60 63.669 4.346 6.521 1.00 0.00 C ATOM 920 C MET C 60 64.384 3.024 6.236 1.00 0.00 C ATOM 921 O MET C 60 63.767 2.025 5.923 1.00 0.00 O ATOM 922 CB MET C 60 63.484 5.142 5.230 1.00 0.00 C ATOM 923 CG MET C 60 62.183 5.943 5.300 1.00 0.00 C ATOM 924 SD MET C 60 61.491 6.114 3.636 1.00 0.00 S ATOM 925 CE MET C 60 60.986 7.846 3.776 1.00 0.00 C ATOM 926 HA MET C 60 62.715 4.102 6.989 1.00 0.00 H ATOM 927 HB2 MET C 60 64.324 5.825 5.102 1.00 0.00 H ATOM 928 HB3 MET C 60 63.442 4.456 4.384 1.00 0.00 H ATOM 929 HG2 MET C 60 62.386 6.931 5.713 1.00 0.00 H ATOM 930 HG3 MET C 60 61.469 5.423 5.939 1.00 0.00 H ATOM 931 HE1 MET C 60 60.269 7.949 4.590 1.00 0.00 H ATOM 932 HE2 MET C 60 61.861 8.463 3.981 1.00 0.00 H ATOM 933 HE3 MET C 60 60.525 8.165 2.841 1.00 0.00 H ATOM 934 H MET C 60 64.876 6.118 7.026 1.00 0.00 H ATOM 935 N ILE C 61 65.686 3.014 6.339 1.00 0.00 N ATOM 936 CA ILE C 61 66.448 1.761 6.071 1.00 0.00 C ATOM 937 C ILE C 61 66.754 1.027 7.380 1.00 0.00 C ATOM 938 O ILE C 61 66.656 -0.180 7.462 1.00 0.00 O ATOM 939 CB ILE C 61 67.742 2.227 5.404 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.431 2.731 3.993 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.727 1.060 5.324 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.087 4.220 4.047 1.00 0.00 C ATOM 943 HA ILE C 61 65.889 1.065 5.446 1.00 0.00 H ATOM 944 HB ILE C 61 68.184 3.032 5.991 1.00 0.00 H ATOM 945 HG12 ILE C 61 68.301 2.582 3.354 1.00 0.00 H ATOM 946 HG13 ILE C 61 66.585 2.177 3.587 1.00 0.00 H ATOM 947 HD11 ILE C 61 66.216 4.368 4.686 1.00 0.00 H ATOM 948 HD12 ILE C 61 67.934 4.773 4.452 1.00 0.00 H ATOM 949 HD13 ILE C 61 66.866 4.577 3.041 1.00 0.00 H ATOM 950 HG21 ILE C 61 68.946 0.701 6.330 1.00 0.00 H ATOM 951 HG22 ILE C 61 68.286 0.254 4.737 1.00 0.00 H ATOM 952 HG23 ILE C 61 69.648 1.396 4.848 1.00 0.00 H ATOM 953 H ILE C 61 66.192 3.882 6.608 1.00 0.00 H ATOM 954 N ASP C 62 67.129 1.747 8.403 1.00 0.00 N ATOM 955 CA ASP C 62 67.447 1.089 9.705 1.00 0.00 C ATOM 956 C ASP C 62 66.180 0.512 10.342 1.00 0.00 C ATOM 957 O ASP C 62 66.245 -0.292 11.250 1.00 0.00 O ATOM 958 CB ASP C 62 68.025 2.203 10.580 1.00 0.00 C ATOM 959 CG ASP C 62 68.049 1.744 12.039 1.00 0.00 C ATOM 960 OD1 ASP C 62 68.246 0.561 12.264 1.00 0.00 O ATOM 961 OD2 ASP C 62 67.873 2.584 12.906 1.00 0.00 O ATOM 962 HA ASP C 62 68.142 0.258 9.583 1.00 0.00 H ATOM 963 HB2 ASP C 62 69.040 2.432 10.254 1.00 0.00 H ATOM 964 HB3 ASP C 62 67.405 3.095 10.489 1.00 0.00 H ATOM 965 H ASP C 62 67.206 2.780 8.311 1.00 0.00 H ATOM 966 N GLU C 63 65.030 0.914 9.878 1.00 0.00 N ATOM 967 CA GLU C 63 63.766 0.384 10.467 1.00 0.00 C ATOM 968 C GLU C 63 63.565 -1.082 10.069 1.00 0.00 C ATOM 969 O GLU C 63 62.795 -1.798 10.677 1.00 0.00 O ATOM 970 CB GLU C 63 62.658 1.255 9.875 1.00 0.00 C ATOM 971 CG GLU C 63 62.307 2.373 10.860 1.00 0.00 C ATOM 972 CD GLU C 63 61.106 3.159 10.332 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.265 3.848 9.338 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.048 3.060 10.932 1.00 0.00 O ATOM 975 HA GLU C 63 63.775 0.417 11.556 1.00 0.00 H ATOM 976 HB2 GLU C 63 63.001 1.691 8.937 1.00 0.00 H ATOM 977 HB3 GLU C 63 61.775 0.644 9.689 1.00 0.00 H ATOM 978 HG2 GLU C 63 62.060 1.940 11.829 1.00 0.00 H ATOM 979 HG3 GLU C 63 63.160 3.042 10.969 1.00 0.00 H ATOM 980 H GLU C 63 64.994 1.602 9.099 1.00 0.00 H ATOM 981 N VAL C 64 64.249 -1.531 9.053 1.00 0.00 N ATOM 982 CA VAL C 64 64.091 -2.949 8.619 1.00 0.00 C ATOM 983 C VAL C 64 65.445 -3.530 8.195 1.00 0.00 C ATOM 984 O VAL C 64 65.531 -4.311 7.267 1.00 0.00 O ATOM 985 CB VAL C 64 63.134 -2.893 7.428 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.787 -2.328 7.881 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.725 -1.991 6.343 1.00 0.00 C ATOM 988 HA VAL C 64 63.711 -3.585 9.418 1.00 0.00 H ATOM 989 HB VAL C 64 62.991 -3.897 7.030 1.00 0.00 H ATOM 990 HG11 VAL C 64 61.367 -2.970 8.655 1.00 0.00 H ATOM 991 HG12 VAL C 64 61.931 -1.324 8.279 1.00 0.00 H ATOM 992 HG13 VAL C 64 61.106 -2.289 7.031 1.00 0.00 H ATOM 993 HG21 VAL C 64 63.867 -0.987 6.744 1.00 0.00 H ATOM 994 HG22 VAL C 64 64.685 -2.394 6.021 1.00 0.00 H ATOM 995 HG23 VAL C 64 63.043 -1.951 5.494 1.00 0.00 H ATOM 996 H VAL C 64 64.903 -0.901 8.546 1.00 0.00 H ATOM 997 N ASP C 65 66.501 -3.157 8.864 1.00 0.00 N ATOM 998 CA ASP C 65 67.845 -3.690 8.496 1.00 0.00 C ATOM 999 C ASP C 65 68.264 -4.789 9.475 1.00 0.00 C ATOM 1000 O ASP C 65 68.938 -4.537 10.454 1.00 0.00 O ATOM 1001 CB ASP C 65 68.789 -2.492 8.597 1.00 0.00 C ATOM 1002 CG ASP C 65 70.164 -2.879 8.051 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.908 -3.520 8.774 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.450 -2.527 6.919 1.00 0.00 O ATOM 1005 HA ASP C 65 67.855 -4.132 7.500 1.00 0.00 H ATOM 1006 HB2 ASP C 65 68.387 -1.662 8.015 1.00 0.00 H ATOM 1007 HB3 ASP C 65 68.884 -2.191 9.640 1.00 0.00 H ATOM 1008 H ASP C 65 66.406 -2.488 9.654 1.00 0.00 H ATOM 1009 N GLU C 66 67.871 -6.007 9.219 1.00 0.00 N ATOM 1010 CA GLU C 66 68.248 -7.122 10.135 1.00 0.00 C ATOM 1011 C GLU C 66 69.478 -7.856 9.597 1.00 0.00 C ATOM 1012 O GLU C 66 69.734 -8.993 9.942 1.00 0.00 O ATOM 1013 CB GLU C 66 67.033 -8.050 10.149 1.00 0.00 C ATOM 1014 CG GLU C 66 66.836 -8.655 8.758 1.00 0.00 C ATOM 1015 CD GLU C 66 65.341 -8.737 8.444 1.00 0.00 C ATOM 1016 OE1 GLU C 66 64.566 -8.861 9.378 1.00 0.00 O ATOM 1017 OE2 GLU C 66 64.997 -8.674 7.276 1.00 0.00 O ATOM 1018 HA GLU C 66 68.502 -6.768 11.134 1.00 0.00 H ATOM 1019 HB2 GLU C 66 67.194 -8.849 10.873 1.00 0.00 H ATOM 1020 HB3 GLU C 66 66.145 -7.482 10.427 1.00 0.00 H ATOM 1021 HG2 GLU C 66 67.330 -8.028 8.016 1.00 0.00 H ATOM 1022 HG3 GLU C 66 67.268 -9.655 8.732 1.00 0.00 H ATOM 1023 H GLU C 66 67.294 -6.200 8.375 1.00 0.00 H ATOM 1024 N ASP C 67 70.242 -7.217 8.754 1.00 0.00 N ATOM 1025 CA ASP C 67 71.454 -7.883 8.196 1.00 0.00 C ATOM 1026 C ASP C 67 72.689 -7.006 8.422 1.00 0.00 C ATOM 1027 O ASP C 67 73.804 -7.408 8.160 1.00 0.00 O ATOM 1028 CB ASP C 67 71.170 -8.037 6.702 1.00 0.00 C ATOM 1029 CG ASP C 67 70.976 -6.656 6.072 1.00 0.00 C ATOM 1030 OD1 ASP C 67 70.519 -5.768 6.771 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.287 -6.512 4.901 1.00 0.00 O ATOM 1032 HA ASP C 67 71.655 -8.843 8.672 1.00 0.00 H ATOM 1033 HB2 ASP C 67 72.010 -8.540 6.223 1.00 0.00 H ATOM 1034 HB3 ASP C 67 70.266 -8.630 6.563 1.00 0.00 H ATOM 1035 H ASP C 67 70.006 -6.244 8.472 1.00 0.00 H ATOM 1036 N GLY C 68 72.497 -5.812 8.912 1.00 0.00 N ATOM 1037 CA GLY C 68 73.659 -4.912 9.158 1.00 0.00 C ATOM 1038 C GLY C 68 74.378 -4.628 7.839 1.00 0.00 C ATOM 1039 O GLY C 68 75.589 -4.680 7.757 1.00 0.00 O ATOM 1040 HA3 GLY C 68 74.349 -5.392 9.851 1.00 0.00 H ATOM 1041 HA2 GLY C 68 73.307 -3.975 9.589 1.00 0.00 H ATOM 1042 H GLY C 68 71.533 -5.488 9.131 1.00 0.00 H ATOM 1043 N SER C 69 73.643 -4.323 6.804 1.00 0.00 N ATOM 1044 CA SER C 69 74.289 -4.032 5.492 1.00 0.00 C ATOM 1045 C SER C 69 74.176 -2.539 5.169 1.00 0.00 C ATOM 1046 O SER C 69 75.026 -1.969 4.515 1.00 0.00 O ATOM 1047 CB SER C 69 73.510 -4.861 4.472 1.00 0.00 C ATOM 1048 OG SER C 69 72.292 -4.199 4.159 1.00 0.00 O ATOM 1049 HA SER C 69 75.351 -4.279 5.491 1.00 0.00 H ATOM 1050 HB2 SER C 69 73.293 -5.844 4.891 1.00 0.00 H ATOM 1051 HB3 SER C 69 74.105 -4.977 3.566 1.00 0.00 H ATOM 1052 HG SER C 69 71.787 -4.735 3.498 1.00 0.00 H ATOM 1053 H SER C 69 72.608 -4.283 6.895 1.00 0.00 H ATOM 1054 N GLY C 70 73.133 -1.903 5.628 1.00 0.00 N ATOM 1055 CA GLY C 70 72.967 -0.447 5.351 1.00 0.00 C ATOM 1056 C GLY C 70 71.957 -0.252 4.219 1.00 0.00 C ATOM 1057 O GLY C 70 71.202 0.701 4.206 1.00 0.00 O ATOM 1058 HA3 GLY C 70 73.927 -0.021 5.059 1.00 0.00 H ATOM 1059 HA2 GLY C 70 72.607 0.055 6.249 1.00 0.00 H ATOM 1060 H GLY C 70 72.418 -2.411 6.187 1.00 0.00 H ATOM 1061 N THR C 71 71.936 -1.144 3.267 1.00 0.00 N ATOM 1062 CA THR C 71 70.973 -1.003 2.137 1.00 0.00 C ATOM 1063 C THR C 71 69.773 -1.934 2.343 1.00 0.00 C ATOM 1064 O THR C 71 69.864 -2.942 3.015 1.00 0.00 O ATOM 1065 CB THR C 71 71.760 -1.407 0.890 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.318 -2.700 1.082 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.882 -0.396 0.643 1.00 0.00 C ATOM 1068 HA THR C 71 70.577 0.009 2.057 1.00 0.00 H ATOM 1069 HB THR C 71 71.093 -1.424 0.028 1.00 0.00 H ATOM 1070 HG1 THR C 71 71.590 -3.352 1.240 1.00 0.00 H ATOM 1071 HG23 THR C 71 72.451 0.594 0.496 1.00 0.00 H ATOM 1072 HG21 THR C 71 73.550 -0.379 1.504 1.00 0.00 H ATOM 1073 HG22 THR C 71 73.441 -0.686 -0.247 1.00 0.00 H ATOM 1074 H THR C 71 72.590 -1.952 3.296 1.00 0.00 H ATOM 1075 N VAL C 72 68.649 -1.600 1.770 1.00 0.00 N ATOM 1076 CA VAL C 72 67.444 -2.462 1.933 1.00 0.00 C ATOM 1077 C VAL C 72 67.256 -3.353 0.701 1.00 0.00 C ATOM 1078 O VAL C 72 67.735 -3.051 -0.374 1.00 0.00 O ATOM 1079 CB VAL C 72 66.276 -1.485 2.074 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.957 -2.228 1.860 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.293 -0.875 3.477 1.00 0.00 C ATOM 1082 HA VAL C 72 67.526 -3.127 2.793 1.00 0.00 H ATOM 1083 HB VAL C 72 66.372 -0.695 1.329 1.00 0.00 H ATOM 1084 HG11 VAL C 72 64.946 -2.665 0.862 1.00 0.00 H ATOM 1085 HG12 VAL C 72 64.861 -3.018 2.605 1.00 0.00 H ATOM 1086 HG13 VAL C 72 64.127 -1.529 1.961 1.00 0.00 H ATOM 1087 HG21 VAL C 72 66.197 -1.669 4.218 1.00 0.00 H ATOM 1088 HG22 VAL C 72 67.233 -0.345 3.630 1.00 0.00 H ATOM 1089 HG23 VAL C 72 65.461 -0.178 3.579 1.00 0.00 H ATOM 1090 H VAL C 72 68.594 -0.732 1.200 1.00 0.00 H ATOM 1091 N ASP C 73 66.564 -4.449 0.851 1.00 0.00 N ATOM 1092 CA ASP C 73 66.347 -5.361 -0.309 1.00 0.00 C ATOM 1093 C ASP C 73 64.915 -5.900 -0.299 1.00 0.00 C ATOM 1094 O ASP C 73 64.135 -5.603 0.584 1.00 0.00 O ATOM 1095 CB ASP C 73 67.349 -6.499 -0.108 1.00 0.00 C ATOM 1096 CG ASP C 73 67.695 -7.122 -1.461 1.00 0.00 C ATOM 1097 OD1 ASP C 73 66.822 -7.169 -2.312 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.829 -7.543 -1.624 1.00 0.00 O ATOM 1099 HA ASP C 73 66.488 -4.855 -1.264 1.00 0.00 H ATOM 1100 HB2 ASP C 73 68.255 -6.108 0.354 1.00 0.00 H ATOM 1101 HB3 ASP C 73 66.911 -7.258 0.540 1.00 0.00 H ATOM 1102 H ASP C 73 66.163 -4.687 1.781 1.00 0.00 H ATOM 1103 N PHE C 74 64.563 -6.695 -1.274 1.00 0.00 N ATOM 1104 CA PHE C 74 63.182 -7.257 -1.316 1.00 0.00 C ATOM 1105 C PHE C 74 62.835 -7.880 0.038 1.00 0.00 C ATOM 1106 O PHE C 74 61.682 -8.053 0.377 1.00 0.00 O ATOM 1107 CB PHE C 74 63.226 -8.334 -2.401 1.00 0.00 C ATOM 1108 CG PHE C 74 62.353 -7.928 -3.565 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.139 -7.267 -3.336 1.00 0.00 C ATOM 1110 CD2 PHE C 74 62.758 -8.213 -4.874 1.00 0.00 C ATOM 1111 CE1 PHE C 74 60.331 -6.893 -4.416 1.00 0.00 C ATOM 1112 CE2 PHE C 74 61.949 -7.840 -5.954 1.00 0.00 C ATOM 1113 CZ PHE C 74 60.737 -7.179 -5.726 1.00 0.00 C ATOM 1114 HA PHE C 74 62.429 -6.497 -1.526 1.00 0.00 H ATOM 1115 HB2 PHE C 74 64.253 -8.459 -2.745 1.00 0.00 H ATOM 1116 HB3 PHE C 74 62.865 -9.277 -1.990 1.00 0.00 H ATOM 1117 HD2 PHE C 74 63.703 -8.725 -5.053 1.00 0.00 H ATOM 1118 HE2 PHE C 74 62.264 -8.065 -6.973 1.00 0.00 H ATOM 1119 HZ PHE C 74 60.109 -6.887 -6.567 1.00 0.00 H ATOM 1120 HE1 PHE C 74 59.386 -6.379 -4.238 1.00 0.00 H ATOM 1121 HD1 PHE C 74 60.824 -7.044 -2.317 1.00 0.00 H ATOM 1122 H PHE C 74 65.246 -6.936 -2.021 1.00 0.00 H ATOM 1123 N ASP C 75 63.830 -8.221 0.811 1.00 0.00 N ATOM 1124 CA ASP C 75 63.565 -8.838 2.142 1.00 0.00 C ATOM 1125 C ASP C 75 63.221 -7.759 3.172 1.00 0.00 C ATOM 1126 O ASP C 75 62.196 -7.812 3.823 1.00 0.00 O ATOM 1127 CB ASP C 75 64.869 -9.542 2.517 1.00 0.00 C ATOM 1128 CG ASP C 75 64.678 -10.309 3.826 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.502 -9.665 4.847 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.712 -11.529 3.786 1.00 0.00 O ATOM 1131 HA ASP C 75 62.721 -9.527 2.115 1.00 0.00 H ATOM 1132 HB2 ASP C 75 65.147 -10.238 1.725 1.00 0.00 H ATOM 1133 HB3 ASP C 75 65.659 -8.801 2.642 1.00 0.00 H ATOM 1134 H ASP C 75 64.809 -8.062 0.498 1.00 0.00 H ATOM 1135 N GLU C 76 64.071 -6.780 3.327 1.00 0.00 N ATOM 1136 CA GLU C 76 63.792 -5.700 4.318 1.00 0.00 C ATOM 1137 C GLU C 76 62.747 -4.729 3.762 1.00 0.00 C ATOM 1138 O GLU C 76 61.900 -4.235 4.481 1.00 0.00 O ATOM 1139 CB GLU C 76 65.131 -4.990 4.518 1.00 0.00 C ATOM 1140 CG GLU C 76 66.163 -5.984 5.054 1.00 0.00 C ATOM 1141 CD GLU C 76 67.572 -5.455 4.781 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.783 -4.268 4.966 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.416 -6.246 4.394 1.00 0.00 O ATOM 1144 HA GLU C 76 63.395 -6.092 5.254 1.00 0.00 H ATOM 1145 HB2 GLU C 76 65.475 -4.588 3.565 1.00 0.00 H ATOM 1146 HB3 GLU C 76 65.007 -4.175 5.231 1.00 0.00 H ATOM 1147 HG2 GLU C 76 66.024 -6.109 6.128 1.00 0.00 H ATOM 1148 HG3 GLU C 76 66.033 -6.946 4.558 1.00 0.00 H ATOM 1149 H GLU C 76 64.942 -6.753 2.760 1.00 0.00 H ATOM 1150 N PHE C 77 62.801 -4.449 2.489 1.00 0.00 N ATOM 1151 CA PHE C 77 61.812 -3.508 1.887 1.00 0.00 C ATOM 1152 C PHE C 77 60.386 -4.033 2.089 1.00 0.00 C ATOM 1153 O PHE C 77 59.511 -3.321 2.543 1.00 0.00 O ATOM 1154 CB PHE C 77 62.168 -3.463 0.399 1.00 0.00 C ATOM 1155 CG PHE C 77 61.009 -2.893 -0.386 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.714 -1.527 -0.308 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.233 -3.732 -1.194 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.642 -0.999 -1.037 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.161 -3.204 -1.924 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.866 -1.838 -1.847 1.00 0.00 C ATOM 1161 HA PHE C 77 61.848 -2.519 2.345 1.00 0.00 H ATOM 1162 HB2 PHE C 77 63.047 -2.835 0.255 1.00 0.00 H ATOM 1163 HB3 PHE C 77 62.383 -4.472 0.047 1.00 0.00 H ATOM 1164 HD2 PHE C 77 60.463 -4.796 -1.255 1.00 0.00 H ATOM 1165 HE2 PHE C 77 58.556 -3.857 -2.553 1.00 0.00 H ATOM 1166 HZ PHE C 77 58.033 -1.427 -2.417 1.00 0.00 H ATOM 1167 HE1 PHE C 77 59.411 0.064 -0.974 1.00 0.00 H ATOM 1168 HD1 PHE C 77 61.319 -0.874 0.321 1.00 0.00 H ATOM 1169 H PHE C 77 63.535 -4.882 1.893 1.00 0.00 H ATOM 1170 N LEU C 78 60.145 -5.270 1.755 1.00 0.00 N ATOM 1171 CA LEU C 78 58.773 -5.834 1.925 1.00 0.00 C ATOM 1172 C LEU C 78 58.257 -5.560 3.340 1.00 0.00 C ATOM 1173 O LEU C 78 57.203 -4.985 3.525 1.00 0.00 O ATOM 1174 CB LEU C 78 58.931 -7.337 1.692 1.00 0.00 C ATOM 1175 CG LEU C 78 58.396 -7.696 0.305 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.691 -9.166 0.008 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.883 -7.463 0.268 1.00 0.00 C ATOM 1178 HA LEU C 78 58.056 -5.388 1.236 1.00 0.00 H ATOM 1179 HB2 LEU C 78 59.985 -7.606 1.756 1.00 0.00 H ATOM 1180 HB3 LEU C 78 58.371 -7.884 2.451 1.00 0.00 H ATOM 1181 HG LEU C 78 58.881 -7.070 -0.444 1.00 0.00 H ATOM 1182 HD21 LEU C 78 56.402 -8.090 1.018 1.00 0.00 H ATOM 1183 HD22 LEU C 78 56.673 -6.415 0.480 1.00 0.00 H ATOM 1184 HD23 LEU C 78 56.501 -7.719 -0.720 1.00 0.00 H ATOM 1185 HD11 LEU C 78 59.768 -9.332 0.036 1.00 0.00 H ATOM 1186 HD12 LEU C 78 58.206 -9.791 0.758 1.00 0.00 H ATOM 1187 HD13 LEU C 78 58.309 -9.419 -0.981 1.00 0.00 H ATOM 1188 H LEU C 78 60.908 -5.863 1.371 1.00 0.00 H ATOM 1189 N VAL C 79 58.987 -5.971 4.339 1.00 0.00 N ATOM 1190 CA VAL C 79 58.535 -5.734 5.740 1.00 0.00 C ATOM 1191 C VAL C 79 58.193 -4.256 5.946 1.00 0.00 C ATOM 1192 O VAL C 79 57.231 -3.917 6.605 1.00 0.00 O ATOM 1193 CB VAL C 79 59.724 -6.134 6.611 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.304 -6.126 8.082 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.189 -7.540 6.224 1.00 0.00 C ATOM 1196 HA VAL C 79 57.638 -6.303 5.985 1.00 0.00 H ATOM 1197 HB VAL C 79 60.539 -5.426 6.461 1.00 0.00 H ATOM 1198 HG11 VAL C 79 58.971 -5.126 8.358 1.00 0.00 H ATOM 1199 HG12 VAL C 79 58.490 -6.835 8.230 1.00 0.00 H ATOM 1200 HG13 VAL C 79 60.153 -6.412 8.703 1.00 0.00 H ATOM 1201 HG21 VAL C 79 59.373 -8.246 6.376 1.00 0.00 H ATOM 1202 HG22 VAL C 79 60.487 -7.547 5.176 1.00 0.00 H ATOM 1203 HG23 VAL C 79 61.038 -7.825 6.846 1.00 0.00 H ATOM 1204 H VAL C 79 59.885 -6.464 4.159 1.00 0.00 H ATOM 1205 N MET C 80 58.977 -3.372 5.387 1.00 0.00 N ATOM 1206 CA MET C 80 58.698 -1.917 5.554 1.00 0.00 C ATOM 1207 C MET C 80 57.251 -1.603 5.164 1.00 0.00 C ATOM 1208 O MET C 80 56.684 -0.616 5.589 1.00 0.00 O ATOM 1209 CB MET C 80 59.671 -1.216 4.605 1.00 0.00 C ATOM 1210 CG MET C 80 60.610 -0.315 5.408 1.00 0.00 C ATOM 1211 SD MET C 80 60.393 1.403 4.881 1.00 0.00 S ATOM 1212 CE MET C 80 60.857 1.171 3.147 1.00 0.00 C ATOM 1213 HA MET C 80 58.825 -1.590 6.586 1.00 0.00 H ATOM 1214 HB2 MET C 80 60.256 -1.963 4.068 1.00 0.00 H ATOM 1215 HB3 MET C 80 59.111 -0.612 3.891 1.00 0.00 H ATOM 1216 HG2 MET C 80 61.642 -0.621 5.237 1.00 0.00 H ATOM 1217 HG3 MET C 80 60.378 -0.402 6.470 1.00 0.00 H ATOM 1218 HE1 MET C 80 61.878 0.794 3.093 1.00 0.00 H ATOM 1219 HE2 MET C 80 60.179 0.454 2.684 1.00 0.00 H ATOM 1220 HE3 MET C 80 60.792 2.125 2.624 1.00 0.00 H ATOM 1221 H MET C 80 59.795 -3.684 4.826 1.00 0.00 H ATOM 1222 N MET C 81 56.648 -2.434 4.357 1.00 0.00 N ATOM 1223 CA MET C 81 55.239 -2.177 3.941 1.00 0.00 C ATOM 1224 C MET C 81 54.264 -2.792 4.950 1.00 0.00 C ATOM 1225 O MET C 81 53.258 -2.204 5.292 1.00 0.00 O ATOM 1226 CB MET C 81 55.097 -2.854 2.578 1.00 0.00 C ATOM 1227 CG MET C 81 55.755 -1.985 1.504 1.00 0.00 C ATOM 1228 SD MET C 81 54.919 -0.380 1.427 1.00 0.00 S ATOM 1229 CE MET C 81 55.903 0.325 0.082 1.00 0.00 C ATOM 1230 HA MET C 81 55.013 -1.112 3.893 1.00 0.00 H ATOM 1231 HB2 MET C 81 55.583 -3.829 2.604 1.00 0.00 H ATOM 1232 HB3 MET C 81 54.040 -2.982 2.344 1.00 0.00 H ATOM 1233 HG2 MET C 81 55.677 -2.482 0.537 1.00 0.00 H ATOM 1234 HG3 MET C 81 56.806 -1.836 1.751 1.00 0.00 H ATOM 1235 HE1 MET C 81 56.951 0.361 0.380 1.00 0.00 H ATOM 1236 HE2 MET C 81 55.798 -0.296 -0.807 1.00 0.00 H ATOM 1237 HE3 MET C 81 55.551 1.334 -0.134 1.00 0.00 H ATOM 1238 H MET C 81 57.150 -3.274 4.005 1.00 0.00 H ATOM 1239 N VAL C 82 54.553 -3.971 5.428 1.00 0.00 N ATOM 1240 CA VAL C 82 53.638 -4.619 6.414 1.00 0.00 C ATOM 1241 C VAL C 82 53.564 -3.780 7.692 1.00 0.00 C ATOM 1242 O VAL C 82 52.515 -3.621 8.282 1.00 0.00 O ATOM 1243 CB VAL C 82 54.260 -5.985 6.706 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.228 -6.875 7.401 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.695 -6.641 5.394 1.00 0.00 C ATOM 1246 HA VAL C 82 52.622 -4.712 6.031 1.00 0.00 H ATOM 1247 HB VAL C 82 55.128 -5.857 7.353 1.00 0.00 H ATOM 1248 HG11 VAL C 82 52.918 -6.408 8.336 1.00 0.00 H ATOM 1249 HG12 VAL C 82 52.362 -7.000 6.751 1.00 0.00 H ATOM 1250 HG13 VAL C 82 53.671 -7.849 7.609 1.00 0.00 H ATOM 1251 HG21 VAL C 82 53.827 -6.768 4.747 1.00 0.00 H ATOM 1252 HG22 VAL C 82 55.429 -6.006 4.898 1.00 0.00 H ATOM 1253 HG23 VAL C 82 55.138 -7.614 5.605 1.00 0.00 H ATOM 1254 H VAL C 82 55.419 -4.459 5.123 1.00 0.00 H ATOM 1255 N ARG C 83 54.672 -3.240 8.122 1.00 0.00 N ATOM 1256 CA ARG C 83 54.667 -2.411 9.360 1.00 0.00 C ATOM 1257 C ARG C 83 53.739 -1.206 9.186 1.00 0.00 C ATOM 1258 O ARG C 83 53.162 -0.711 10.135 1.00 0.00 O ATOM 1259 CB ARG C 83 56.114 -1.952 9.534 1.00 0.00 C ATOM 1260 CG ARG C 83 56.916 -3.049 10.241 1.00 0.00 C ATOM 1261 CD ARG C 83 58.123 -2.427 10.945 1.00 0.00 C ATOM 1262 NE ARG C 83 57.942 -2.763 12.386 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.910 -3.329 13.051 1.00 0.00 C ATOM 1264 NH1 ARG C 83 59.957 -2.631 13.402 1.00 0.00 N ATOM 1265 NH2 ARG C 83 58.833 -4.592 13.370 1.00 0.00 N ATOM 1266 HA ARG C 83 54.308 -2.965 10.227 1.00 0.00 H ATOM 1267 HB2 ARG C 83 56.553 -1.754 8.556 1.00 0.00 H ATOM 1268 HB3 ARG C 83 56.137 -1.041 10.133 1.00 0.00 H ATOM 1269 HG2 ARG C 83 56.283 -3.546 10.976 1.00 0.00 H ATOM 1270 HG3 ARG C 83 57.259 -3.778 9.507 1.00 0.00 H ATOM 1271 HD2 ARG C 83 58.136 -1.347 10.802 1.00 0.00 H ATOM 1272 HD3 ARG C 83 59.051 -2.854 10.565 1.00 0.00 H ATOM 1273 HE ARG C 83 57.043 -2.546 12.861 1.00 0.00 H ATOM 1274 HH12 ARG C 83 60.729 -3.083 13.932 1.00 0.00 H ATOM 1275 HH11 ARG C 83 60.018 -1.624 13.151 1.00 0.00 H ATOM 1276 HH22 ARG C 83 59.606 -5.042 13.901 1.00 0.00 H ATOM 1277 HH21 ARG C 83 57.999 -5.148 13.094 1.00 0.00 H ATOM 1278 H ARG C 83 55.559 -3.389 7.600 1.00 0.00 H ATOM 1279 N CYS C 84 53.589 -0.731 7.980 1.00 0.00 N ATOM 1280 CA CYS C 84 52.696 0.440 7.747 1.00 0.00 C ATOM 1281 C CYS C 84 51.421 -0.004 7.026 1.00 0.00 C ATOM 1282 O CYS C 84 50.811 0.755 6.299 1.00 0.00 O ATOM 1283 CB CYS C 84 53.509 1.389 6.866 1.00 0.00 C ATOM 1284 SG CYS C 84 55.067 1.797 7.692 1.00 0.00 S ATOM 1285 HA CYS C 84 52.385 0.915 8.678 1.00 0.00 H ATOM 1286 HB2 CYS C 84 52.939 2.302 6.693 1.00 0.00 H ATOM 1287 HB3 CYS C 84 53.719 0.908 5.911 1.00 0.00 H ATOM 1288 HG CYS C 84 55.798 2.653 6.894 1.00 0.00 H ATOM 1289 H CYS C 84 54.092 -1.169 7.182 1.00 0.00 H ATOM 1290 N MET C 85 51.012 -1.229 7.223 1.00 0.00 N ATOM 1291 CA MET C 85 49.775 -1.719 6.548 1.00 0.00 C ATOM 1292 C MET C 85 48.666 -0.670 6.655 1.00 0.00 C ATOM 1293 O MET C 85 48.450 0.114 5.753 1.00 0.00 O ATOM 1294 CB MET C 85 49.387 -2.989 7.307 1.00 0.00 C ATOM 1295 CG MET C 85 49.839 -4.217 6.516 1.00 0.00 C ATOM 1296 SD MET C 85 48.611 -4.599 5.243 1.00 0.00 S ATOM 1297 CE MET C 85 49.560 -3.995 3.824 1.00 0.00 C ATOM 1298 HA MET C 85 49.931 -1.910 5.486 1.00 0.00 H ATOM 1299 HB2 MET C 85 49.869 -2.989 8.285 1.00 0.00 H ATOM 1300 HB3 MET C 85 48.305 -3.018 7.437 1.00 0.00 H ATOM 1301 HG2 MET C 85 49.940 -5.067 7.191 1.00 0.00 H ATOM 1302 HG3 MET C 85 50.800 -4.012 6.044 1.00 0.00 H ATOM 1303 HE1 MET C 85 49.776 -2.935 3.958 1.00 0.00 H ATOM 1304 HE2 MET C 85 50.494 -4.551 3.750 1.00 0.00 H ATOM 1305 HE3 MET C 85 48.979 -4.136 2.913 1.00 0.00 H ATOM 1306 H MET C 85 51.548 -1.862 7.850 1.00 0.00 H ATOM 1307 N LYS C 86 47.963 -0.649 7.755 1.00 0.00 N ATOM 1308 CA LYS C 86 46.870 0.352 7.922 1.00 0.00 C ATOM 1309 C LYS C 86 47.068 1.131 9.226 1.00 0.00 C ATOM 1310 O LYS C 86 47.574 0.611 10.200 1.00 0.00 O ATOM 1311 CB LYS C 86 45.583 -0.470 7.978 1.00 0.00 C ATOM 1312 CG LYS C 86 44.531 0.166 7.068 1.00 0.00 C ATOM 1313 CD LYS C 86 43.189 -0.543 7.264 1.00 0.00 C ATOM 1314 CE LYS C 86 42.586 -0.882 5.898 1.00 0.00 C ATOM 1315 NZ LYS C 86 41.177 -0.407 5.973 1.00 0.00 N ATOM 1316 HA LYS C 86 46.849 1.082 7.113 1.00 0.00 H ATOM 1317 HB2 LYS C 86 45.786 -1.487 7.643 1.00 0.00 H ATOM 1318 HB3 LYS C 86 45.211 -0.494 9.002 1.00 0.00 H ATOM 1319 HG2 LYS C 86 44.424 1.222 7.318 1.00 0.00 H ATOM 1320 HG3 LYS C 86 44.844 0.070 6.028 1.00 0.00 H ATOM 1321 HD2 LYS C 86 43.342 -1.461 7.832 1.00 0.00 H ATOM 1322 HD3 LYS C 86 42.509 0.111 7.810 1.00 0.00 H ATOM 1323 HE2 LYS C 86 42.620 -1.957 5.720 1.00 0.00 H ATOM 1324 HE3 LYS C 86 43.123 -0.366 5.102 1.00 0.00 H ATOM 1325 HZ1 LYS C 86 40.686 -0.902 6.744 1.00 0.00 H ATOM 1326 HZ2 LYS C 86 41.167 0.617 6.155 1.00 0.00 H ATOM 1327 HZ3 LYS C 86 40.697 -0.605 5.072 1.00 0.00 H ATOM 1328 H LYS C 86 48.165 -1.330 8.515 1.00 0.00 H ATOM 1329 N ASP C 87 46.672 2.374 9.250 1.00 0.00 N ATOM 1330 CA ASP C 87 46.837 3.184 10.491 1.00 0.00 C ATOM 1331 C ASP C 87 45.610 3.028 11.393 1.00 0.00 C ATOM 1332 O ASP C 87 44.495 3.305 10.995 1.00 0.00 O ATOM 1333 CB ASP C 87 46.967 4.629 10.006 1.00 0.00 C ATOM 1334 CG ASP C 87 47.171 5.556 11.206 1.00 0.00 C ATOM 1335 OD1 ASP C 87 46.959 5.104 12.320 1.00 0.00 O ATOM 1336 OD2 ASP C 87 47.535 6.700 10.991 1.00 0.00 O ATOM 1337 HA ASP C 87 47.702 2.871 11.076 1.00 0.00 H ATOM 1338 HB2 ASP C 87 47.821 4.711 9.334 1.00 0.00 H ATOM 1339 HB3 ASP C 87 46.060 4.917 9.475 1.00 0.00 H ATOM 1340 H ASP C 87 46.242 2.799 8.404 1.00 0.00 H ATOM 1341 N ASP C 88 45.803 2.585 12.605 1.00 0.00 N ATOM 1342 CA ASP C 88 44.645 2.411 13.529 1.00 0.00 C ATOM 1343 C ASP C 88 45.106 2.515 14.986 1.00 0.00 C ATOM 1344 O ASP C 88 44.510 1.945 15.877 1.00 0.00 O ATOM 1345 CB ASP C 88 44.113 1.007 13.236 1.00 0.00 C ATOM 1346 CG ASP C 88 42.611 0.961 13.522 1.00 0.00 C ATOM 1347 OD1 ASP C 88 42.163 1.733 14.354 1.00 0.00 O ATOM 1348 OD2 ASP C 88 41.935 0.154 12.907 1.00 0.00 O ATOM 1349 HA ASP C 88 43.883 3.177 13.383 1.00 0.00 H ATOM 1350 HB2 ASP C 88 44.292 0.762 12.189 1.00 0.00 H ATOM 1351 HB3 ASP C 88 44.626 0.284 13.870 1.00 0.00 H ATOM 1352 H ASP C 88 46.764 2.353 12.927 1.00 0.00 H ATOM 1353 N SER C 89 46.164 3.238 15.235 1.00 0.00 N ATOM 1354 CA SER C 89 46.658 3.375 16.635 1.00 0.00 C ATOM 1355 C SER C 89 45.985 4.568 17.319 1.00 0.00 C ATOM 1356 O SER C 89 45.271 4.346 18.284 1.00 0.00 O ATOM 1357 CB SER C 89 48.161 3.611 16.502 1.00 0.00 C ATOM 1358 OG SER C 89 48.406 4.476 15.400 1.00 0.00 O ATOM 1359 HA SER C 89 46.435 2.496 17.240 1.00 0.00 H ATOM 1360 OXT SER C 89 46.196 5.682 16.867 1.00 0.00 O ATOM 1361 HB2 SER C 89 48.666 2.659 16.337 1.00 0.00 H ATOM 1362 HB3 SER C 89 48.540 4.069 17.416 1.00 0.00 H ATOM 1363 HG SER C 89 47.947 5.340 15.552 1.00 0.00 H ATOM 1364 H SER C 89 46.662 3.718 14.458 1.00 0.00 H TER 1365 SER C 89 HETATM 1366 CA CA A 1 69.799 -4.594 5.150 1.00 0.00 CA HETATM 1367 N ARG A 2 53.763 4.334 6.751 1.00 0.24 N HETATM 1368 CA ARG A 2 54.368 5.686 6.927 1.00 0.07 C HETATM 1369 C ARG A 2 54.936 6.185 5.595 1.00 0.23 C HETATM 1370 O ARG A 2 55.734 7.100 5.555 1.00 -0.39 O HETATM 1371 N ARG A 2 54.532 5.589 4.507 1.00 -0.26 N HETATM 1372 CA ARG A 2 55.050 6.028 3.179 1.00 0.13 C HETATM 1373 C ARG A 2 53.917 6.630 2.343 1.00 0.20 C HETATM 1374 O ARG A 2 53.884 6.494 1.137 1.00 -0.39 O HETATM 1375 N ARG A 2 52.989 7.294 2.976 1.00 -0.26 N HETATM 1376 CA ARG A 2 51.861 7.903 2.215 1.00 0.15 C HETATM 1377 C ARG A 2 51.327 6.908 1.181 1.00 0.21 C HETATM 1378 O ARG A 2 51.488 7.086 -0.010 1.00 -0.39 O HETATM 1379 N ARG A 2 50.694 5.859 1.630 1.00 -0.26 N HETATM 1380 CA ARG A 2 50.151 4.848 0.677 1.00 0.13 C HETATM 1381 C ARG A 2 49.299 5.528 -0.399 1.00 0.20 C HETATM 1382 O ARG A 2 49.259 5.098 -1.534 1.00 -0.39 O HETATM 1383 N ARG A 2 48.614 6.583 -0.050 1.00 -0.26 N HETATM 1384 CA ARG A 2 47.762 7.284 -1.054 1.00 0.14 C HETATM 1385 C ARG A 2 48.618 8.176 -1.958 1.00 0.21 C HETATM 1386 O ARG A 2 48.410 8.246 -3.153 1.00 -0.39 O HETATM 1387 N ARG A 2 49.576 8.859 -1.397 1.00 -0.26 N HETATM 1388 CA ARG A 2 50.440 9.749 -2.226 1.00 0.13 C HETATM 1389 C ARG A 2 51.571 8.945 -2.875 1.00 0.20 C HETATM 1390 O ARG A 2 52.339 9.462 -3.661 1.00 -0.39 O HETATM 1391 N ARG A 2 51.682 7.686 -2.551 1.00 -0.26 N HETATM 1392 CA ARG A 2 52.767 6.856 -3.152 1.00 0.13 C HETATM 1393 C ARG A 2 52.452 6.551 -4.619 1.00 0.20 C HETATM 1394 O ARG A 2 53.252 6.799 -5.500 1.00 -0.39 O HETATM 1395 N ARG A 2 51.295 6.009 -4.889 1.00 -0.26 N HETATM 1396 CA ARG A 2 50.935 5.685 -6.300 1.00 0.13 C HETATM 1397 C ARG A 2 50.516 6.955 -7.047 1.00 0.20 C HETATM 1398 O ARG A 2 50.691 7.068 -8.244 1.00 -0.39 O HETATM 1399 N ARG A 2 49.961 7.910 -6.352 1.00 -0.26 N HETATM 1400 CA ARG A 2 49.528 9.168 -7.024 1.00 0.13 C HETATM 1401 C ARG A 2 50.744 9.943 -7.543 1.00 0.20 C HETATM 1402 O ARG A 2 50.675 10.624 -8.546 1.00 -0.39 O HETATM 1403 N ARG A 2 51.857 9.846 -6.866 1.00 -0.26 N HETATM 1404 CA ARG A 2 53.072 10.582 -7.322 1.00 0.13 C HETATM 1405 C ARG A 2 53.828 9.762 -8.373 1.00 0.20 C HETATM 1406 O ARG A 2 54.087 10.226 -9.465 1.00 -0.39 O HETATM 1407 N ARG A 2 54.183 8.548 -8.052 1.00 -0.26 N HETATM 1408 CA ARG A 2 54.921 7.703 -9.037 1.00 0.13 C HETATM 1409 C ARG A 2 54.199 6.369 -9.232 1.00 0.20 C HETATM 1410 O ARG A 2 53.055 6.210 -8.856 1.00 -0.39 O HETATM 1411 N ARG A 2 54.857 5.408 -9.823 1.00 -0.26 N HETATM 1412 CA ARG A 2 54.203 4.087 -10.045 1.00 0.13 C HETATM 1413 C ARG A 2 52.879 4.276 -10.789 1.00 0.20 C HETATM 1414 O ARG A 2 51.945 3.516 -10.621 1.00 -0.39 O HETATM 1415 N ARG A 2 52.791 5.287 -11.609 1.00 -0.27 N HETATM 1416 CA ARG A 2 51.529 5.532 -12.365 1.00 0.12 C HETATM 1417 C ARG A 2 51.224 7.030 -12.373 1.00 0.20 C HETATM 1418 O ARG A 2 50.595 7.550 -11.472 1.00 -0.39 O HETATM 1419 N ARG A 2 51.666 7.731 -13.380 1.00 -0.26 N HETATM 1420 CA ARG A 2 51.403 9.197 -13.440 1.00 0.13 C HETATM 1421 C ARG A 2 51.261 9.656 -14.894 1.00 0.20 C HETATM 1422 O ARG A 2 51.494 10.803 -15.219 1.00 -0.39 O HETATM 1423 N ARG A 2 50.878 8.768 -15.771 1.00 -0.26 N HETATM 1424 CA ARG A 2 50.722 9.156 -17.203 1.00 0.13 C HETATM 1425 C ARG A 2 49.425 9.945 -17.399 1.00 0.20 C HETATM 1426 O ARG A 2 48.341 9.438 -17.185 1.00 -0.39 O HETATM 1427 N ARG A 2 49.526 11.181 -17.804 1.00 -0.26 N HETATM 1428 CA ARG A 2 48.298 11.999 -18.012 1.00 0.13 C HETATM 1429 C ARG A 2 48.486 12.941 -19.205 1.00 0.20 C HETATM 1430 O ARG A 2 48.123 14.099 -19.158 1.00 -0.39 O HETATM 1431 N ARG A 2 49.052 12.452 -20.276 1.00 -0.27 N HETATM 1432 CA ARG A 2 49.263 13.319 -21.471 1.00 0.09 C HETATM 1433 C ARG A 2 50.097 14.547 -21.092 1.00 0.06 C HETATM 1434 O ARG A 2 50.600 14.577 -19.981 1.00 -0.57 O HETATM 1435 OXT ARG A 2 50.220 15.434 -21.920 1.00 -0.57 O HETATM 1436 CB ARG A 2 47.860 13.739 -21.908 1.00 -0.02 C HETATM 1437 CG ARG A 2 47.771 13.719 -23.435 1.00 -0.04 C HETATM 1438 CD ARG A 2 46.334 14.020 -23.869 1.00 -0.01 C HETATM 1439 CE ARG A 2 46.350 14.791 -25.191 1.00 -0.04 C HETATM 1440 NZ ARG A 2 45.198 14.250 -25.963 1.00 0.22 N HETATM 1441 H135 ARG A 2 45.144 14.715 -26.856 1.00 0.20 H HETATM 1442 H136 ARG A 2 44.345 14.408 -25.449 1.00 0.20 H HETATM 1443 H137 ARG A 2 45.325 13.260 -26.107 1.00 0.20 H HETATM 1444 H133 ARG A 2 47.293 14.616 -25.730 1.00 0.08 H HETATM 1445 H134 ARG A 2 46.224 15.869 -25.012 1.00 0.08 H HETATM 1446 H131 ARG A 2 45.837 14.626 -23.097 1.00 0.03 H HETATM 1447 H132 ARG A 2 45.786 13.076 -24.002 1.00 0.03 H HETATM 1448 H129 ARG A 2 48.065 12.726 -23.806 1.00 0.03 H HETATM 1449 H130 ARG A 2 48.446 14.481 -23.851 1.00 0.03 H HETATM 1450 H127 ARG A 2 47.651 14.755 -21.542 1.00 0.03 H HETATM 1451 H128 ARG A 2 47.121 13.040 -21.489 1.00 0.03 H HETATM 1452 H126 ARG A 2 49.769 12.761 -22.273 1.00 0.07 H HETATM 1453 H125 ARG A 2 49.344 11.496 -20.295 1.00 0.19 H HETATM 1454 CB ARG A 2 48.129 12.796 -16.719 1.00 -0.02 C HETATM 1455 H122 ARG A 2 47.234 13.431 -16.794 1.00 0.03 H HETATM 1456 H123 ARG A 2 49.015 13.428 -16.559 1.00 0.03 H HETATM 1457 H124 ARG A 2 48.016 12.102 -15.873 1.00 0.03 H HETATM 1458 H121 ARG A 2 47.425 11.353 -18.186 1.00 0.08 H HETATM 1459 H120 ARG A 2 50.427 11.579 -17.975 1.00 0.19 H HETATM 1460 CB ARG A 2 50.665 7.833 -17.967 1.00 -0.01 C HETATM 1461 CG ARG A 2 50.730 8.107 -19.470 1.00 -0.02 C HETATM 1462 CD ARG A 2 49.797 7.142 -20.205 1.00 0.06 C HETATM 1463 NE ARG A 2 50.394 6.990 -21.560 1.00 -0.27 N HETATM 1464 CZ ARG A 2 50.136 5.928 -22.272 1.00 0.29 C HETATM 1465 NH1 ARG A 2 48.905 5.517 -22.408 1.00 -0.28 N HETATM 1466 H116 ARG A 2 48.701 4.678 -22.970 1.00 0.26 H HETATM 1467 H117 ARG A 2 48.137 6.031 -21.953 1.00 0.26 H HETATM 1468 NH2 ARG A 2 51.109 5.275 -22.847 1.00 -0.28 N HETATM 1469 H118 ARG A 2 52.081 5.599 -22.740 1.00 0.26 H HETATM 1470 H119 ARG A 2 50.905 4.436 -23.408 1.00 0.26 H HETATM 1471 H115 ARG A 2 51.011 7.724 -21.936 1.00 0.26 H HETATM 1472 H113 ARG A 2 48.782 7.561 -20.274 1.00 0.07 H HETATM 1473 H114 ARG A 2 49.758 6.172 -19.688 1.00 0.07 H HETATM 1474 H111 ARG A 2 51.761 7.962 -19.825 1.00 0.03 H HETATM 1475 H112 ARG A 2 50.416 9.143 -19.668 1.00 0.03 H HETATM 1476 H109 ARG A 2 49.725 7.313 -17.730 1.00 0.03 H HETATM 1477 H110 ARG A 2 51.517 7.203 -17.672 1.00 0.03 H HETATM 1478 H108 ARG A 2 51.577 9.761 -17.538 1.00 0.08 H HETATM 1479 H107 ARG A 2 50.690 7.829 -15.483 1.00 0.19 H HETATM 1480 CB ARG A 2 52.628 9.843 -12.791 1.00 -0.02 C HETATM 1481 H104 ARG A 2 52.511 10.937 -12.796 1.00 0.03 H HETATM 1482 H105 ARG A 2 53.531 9.568 -13.357 1.00 0.03 H HETATM 1483 H106 ARG A 2 52.723 9.489 -11.754 1.00 0.03 H HETATM 1484 H103 ARG A 2 50.489 9.451 -12.883 1.00 0.08 H HETATM 1485 H102 ARG A 2 52.181 7.285 -14.112 1.00 0.19 H HETATM 1486 H100 ARG A 2 50.701 4.992 -11.882 1.00 0.08 H HETATM 1487 H101 ARG A 2 51.646 5.176 -13.399 1.00 0.08 H HETATM 1488 H99 ARG A 2 53.572 5.899 -11.731 1.00 0.19 H HETATM 1489 CB ARG A 2 53.961 3.525 -8.644 1.00 -0.01 C HETATM 1490 CG ARG A 2 55.295 3.105 -8.026 1.00 -0.04 C HETATM 1491 CD1 ARG A 2 55.905 4.290 -7.275 1.00 -0.06 C HETATM 1492 H93 ARG A 2 56.865 3.988 -6.830 1.00 0.02 H HETATM 1493 H94 ARG A 2 55.218 4.613 -6.479 1.00 0.02 H HETATM 1494 H95 ARG A 2 56.071 5.122 -7.975 1.00 0.02 H HETATM 1495 CD2 ARG A 2 55.065 1.950 -7.051 1.00 -0.06 C HETATM 1496 H96 ARG A 2 54.626 1.097 -7.590 1.00 0.02 H HETATM 1497 H97 ARG A 2 54.378 2.273 -6.255 1.00 0.02 H HETATM 1498 H98 ARG A 2 56.025 1.648 -6.607 1.00 0.02 H HETATM 1499 H92 ARG A 2 55.982 2.782 -8.822 1.00 0.03 H HETATM 1500 H90 ARG A 2 53.296 2.651 -8.709 1.00 0.03 H HETATM 1501 H91 ARG A 2 53.492 4.296 -8.015 1.00 0.03 H HETATM 1502 H89 ARG A 2 54.859 3.419 -10.622 1.00 0.08 H HETATM 1503 H88 ARG A 2 55.798 5.558 -10.126 1.00 0.19 H HETATM 1504 CB ARG A 2 56.311 7.480 -8.428 1.00 -0.01 C HETATM 1505 CG ARG A 2 56.193 7.256 -6.918 1.00 -0.04 C HETATM 1506 CD1 ARG A 2 57.419 6.490 -6.416 1.00 -0.06 C HETATM 1507 H82 ARG A 2 57.333 6.330 -5.331 1.00 0.02 H HETATM 1508 H83 ARG A 2 58.328 7.072 -6.629 1.00 0.02 H HETATM 1509 H84 ARG A 2 57.478 5.517 -6.926 1.00 0.02 H HETATM 1510 CD2 ARG A 2 56.118 8.610 -6.211 1.00 -0.06 C HETATM 1511 H85 ARG A 2 55.237 9.163 -6.570 1.00 0.02 H HETATM 1512 H86 ARG A 2 57.028 9.188 -6.429 1.00 0.02 H HETATM 1513 H87 ARG A 2 56.035 8.453 -5.125 1.00 0.02 H HETATM 1514 H81 ARG A 2 55.283 6.676 -6.702 1.00 0.03 H HETATM 1515 H79 ARG A 2 56.937 8.364 -8.617 1.00 0.03 H HETATM 1516 H80 ARG A 2 56.774 6.597 -8.892 1.00 0.03 H HETATM 1517 H78 ARG A 2 55.004 8.221 -10.004 1.00 0.08 H HETATM 1518 H77 ARG A 2 53.961 8.184 -7.147 1.00 0.19 H HETATM 1519 CB ARG A 2 53.923 10.760 -6.065 1.00 -0.02 C HETATM 1520 H74 ARG A 2 54.846 11.300 -6.321 1.00 0.03 H HETATM 1521 H75 ARG A 2 54.178 9.773 -5.652 1.00 0.03 H HETATM 1522 H76 ARG A 2 53.357 11.335 -5.317 1.00 0.03 H HETATM 1523 H73 ARG A 2 52.798 11.559 -7.745 1.00 0.08 H HETATM 1524 H72 ARG A 2 51.895 9.279 -6.043 1.00 0.19 H HETATM 1525 CB ARG A 2 48.807 9.969 -5.939 1.00 0.00 C HETATM 1526 CG ARG A 2 47.455 10.449 -6.470 1.00 0.04 C HETATM 1527 CD ARG A 2 46.357 10.095 -5.465 1.00 0.17 C HETATM 1528 OE1 ARG A 2 45.846 10.958 -4.778 1.00 -0.40 O HETATM 1529 NE2 ARG A 2 45.968 8.854 -5.349 1.00 -0.30 N HETATM 1530 H70 ARG A 2 45.251 8.614 -4.695 1.00 0.18 H HETATM 1531 H71 ARG A 2 46.387 8.144 -5.915 1.00 0.18 H HETATM 1532 H68 ARG A 2 47.244 9.959 -7.432 1.00 0.05 H HETATM 1533 H69 ARG A 2 47.483 11.539 -6.613 1.00 0.05 H HETATM 1534 H66 ARG A 2 49.419 10.838 -5.657 1.00 0.03 H HETATM 1535 H67 ARG A 2 48.648 9.331 -5.057 1.00 0.03 H HETATM 1536 H65 ARG A 2 48.848 8.947 -7.860 1.00 0.08 H HETATM 1537 H64 ARG A 2 49.826 7.798 -5.367 1.00 0.19 H HETATM 1538 CB ARG A 2 49.760 4.711 -6.196 1.00 -0.00 C HETATM 1539 CG ARG A 2 50.288 3.278 -6.130 1.00 -0.00 C HETATM 1540 SD ARG A 2 50.994 2.972 -4.493 1.00 -0.16 S HETATM 1541 CE ARG A 2 52.724 3.259 -4.938 1.00 -0.02 C HETATM 1542 H61 ARG A 2 53.359 3.120 -4.051 1.00 0.03 H HETATM 1543 H62 ARG A 2 52.840 4.286 -5.314 1.00 0.03 H HETATM 1544 H63 ARG A 2 53.025 2.546 -5.719 1.00 0.03 H HETATM 1545 H59 ARG A 2 51.064 3.137 -6.896 1.00 0.04 H HETATM 1546 H60 ARG A 2 49.462 2.574 -6.311 1.00 0.04 H HETATM 1547 H57 ARG A 2 49.112 4.822 -7.078 1.00 0.03 H HETATM 1548 H58 ARG A 2 49.182 4.931 -5.287 1.00 0.03 H HETATM 1549 H56 ARG A 2 51.783 5.215 -6.819 1.00 0.08 H HETATM 1550 H55 ARG A 2 50.651 5.811 -4.150 1.00 0.19 H HETATM 1551 CB ARG A 2 52.786 5.569 -2.328 1.00 -0.00 C HETATM 1552 CG ARG A 2 54.229 5.225 -1.953 1.00 -0.00 C HETATM 1553 SD ARG A 2 54.689 3.644 -2.706 1.00 -0.16 S HETATM 1554 CE ARG A 2 55.999 4.274 -3.784 1.00 -0.02 C HETATM 1555 H52 ARG A 2 56.433 3.442 -4.358 1.00 0.03 H HETATM 1556 H53 ARG A 2 56.782 4.746 -3.172 1.00 0.03 H HETATM 1557 H54 ARG A 2 55.578 5.017 -4.477 1.00 0.03 H HETATM 1558 H50 ARG A 2 54.315 5.149 -0.859 1.00 0.04 H HETATM 1559 H51 ARG A 2 54.901 6.015 -2.320 1.00 0.04 H HETATM 1560 H48 ARG A 2 52.355 4.748 -2.920 1.00 0.03 H HETATM 1561 H49 ARG A 2 52.193 5.711 -1.412 1.00 0.03 H HETATM 1562 H47 ARG A 2 53.735 7.374 -3.083 1.00 0.08 H HETATM 1563 H46 ARG A 2 51.041 7.278 -1.901 1.00 0.19 H HETATM 1564 CB ARG A 2 51.006 10.776 -1.245 1.00 -0.02 C HETATM 1565 H43 ARG A 2 51.661 11.476 -1.784 1.00 0.03 H HETATM 1566 H44 ARG A 2 51.585 10.259 -0.466 1.00 0.03 H HETATM 1567 H45 ARG A 2 50.179 11.332 -0.779 1.00 0.03 H HETATM 1568 H42 ARG A 2 49.847 10.246 -3.008 1.00 0.08 H HETATM 1569 H41 ARG A 2 49.732 8.787 -0.412 1.00 0.19 H HETATM 1570 CB ARG A 2 46.795 8.132 -0.226 1.00 0.04 C HETATM 1571 CG ARG A 2 47.589 9.033 0.721 1.00 0.04 C HETATM 1572 OD1 ARG A 2 48.333 8.501 1.529 1.00 -0.57 O HETATM 1573 OD2 ARG A 2 47.437 10.240 0.626 1.00 -0.57 O HETATM 1574 H39 ARG A 2 46.138 7.472 0.360 1.00 0.05 H HETATM 1575 H40 ARG A 2 46.185 8.754 -0.898 1.00 0.05 H HETATM 1576 H38 ARG A 2 47.211 6.558 -1.670 1.00 0.08 H HETATM 1577 H37 ARG A 2 48.660 6.921 0.890 1.00 0.19 H HETATM 1578 CB ARG A 2 49.288 3.923 1.537 1.00 -0.02 C HETATM 1579 H34 ARG A 2 48.846 3.140 0.903 1.00 0.03 H HETATM 1580 H35 ARG A 2 48.486 4.507 2.012 1.00 0.03 H HETATM 1581 H36 ARG A 2 49.912 3.457 2.314 1.00 0.03 H HETATM 1582 H33 ARG A 2 50.967 4.286 0.200 1.00 0.08 H HETATM 1583 H32 ARG A 2 50.573 5.733 2.615 1.00 0.19 H HETATM 1584 CB ARG A 2 52.463 9.125 1.524 1.00 0.08 C HETATM 1585 OG ARG A 2 51.633 10.254 1.761 1.00 -0.39 O HETATM 1586 H31 ARG A 2 52.006 11.015 1.332 1.00 0.21 H HETATM 1587 H29 ARG A 2 52.531 8.939 0.442 1.00 0.06 H HETATM 1588 H30 ARG A 2 53.468 9.317 1.927 1.00 0.06 H HETATM 1589 H28 ARG A 2 51.049 8.202 2.894 1.00 0.08 H HETATM 1590 H27 ARG A 2 53.034 7.394 3.970 1.00 0.19 H HETATM 1591 CB ARG A 2 55.583 4.754 2.522 1.00 -0.00 C HETATM 1592 CG1 ARG A 2 56.483 4.010 3.511 1.00 -0.05 C HETATM 1593 CD1 ARG A 2 57.774 4.804 3.722 1.00 -0.06 C HETATM 1594 H24 ARG A 2 58.421 4.269 4.433 1.00 0.02 H HETATM 1595 H25 ARG A 2 57.531 5.799 4.124 1.00 0.02 H HETATM 1596 H26 ARG A 2 58.298 4.915 2.761 1.00 0.02 H HETATM 1597 H19 ARG A 2 56.726 3.015 3.109 1.00 0.03 H HETATM 1598 H20 ARG A 2 55.959 3.900 4.472 1.00 0.03 H HETATM 1599 CG2 ARG A 2 56.392 5.120 1.276 1.00 -0.06 C HETATM 1600 H21 ARG A 2 55.746 5.655 0.564 1.00 0.02 H HETATM 1601 H22 ARG A 2 56.776 4.203 0.805 1.00 0.02 H HETATM 1602 H23 ARG A 2 57.235 5.765 1.563 1.00 0.02 H HETATM 1603 H18 ARG A 2 54.740 4.109 2.235 1.00 0.03 H HETATM 1604 H17 ARG A 2 55.854 6.769 3.300 1.00 0.08 H HETATM 1605 H16 ARG A 2 53.875 4.838 4.564 1.00 0.19 H HETATM 1606 CB ARG A 2 55.487 5.491 7.949 1.00 0.01 C HETATM 1607 CG ARG A 2 55.735 6.805 8.694 1.00 -0.01 C HETATM 1608 CD ARG A 2 56.885 7.564 8.028 1.00 0.06 C HETATM 1609 NE ARG A 2 57.468 8.405 9.110 1.00 -0.27 N HETATM 1610 CZ ARG A 2 57.921 9.598 8.840 1.00 0.29 C HETATM 1611 NH1 ARG A 2 59.139 9.751 8.398 1.00 -0.28 N HETATM 1612 H12 ARG A 2 59.495 10.694 8.185 1.00 0.26 H HETATM 1613 H13 ARG A 2 59.745 8.929 8.262 1.00 0.26 H HETATM 1614 NH2 ARG A 2 57.156 10.641 9.014 1.00 -0.28 N HETATM 1615 H14 ARG A 2 56.194 10.522 9.363 1.00 0.26 H HETATM 1616 H15 ARG A 2 57.514 11.583 8.803 1.00 0.26 H HETATM 1617 H11 ARG A 2 57.514 8.044 10.073 1.00 0.26 H HETATM 1618 H9 ARG A 2 56.509 8.194 7.208 1.00 0.07 H HETATM 1619 H10 ARG A 2 57.636 6.862 7.636 1.00 0.07 H HETATM 1620 H7 ARG A 2 55.997 6.589 9.740 1.00 0.03 H HETATM 1621 H8 ARG A 2 54.824 7.421 8.664 1.00 0.03 H HETATM 1622 H5 ARG A 2 56.407 5.185 7.430 1.00 0.03 H HETATM 1623 H6 ARG A 2 55.195 4.712 8.668 1.00 0.03 H HETATM 1624 H4 ARG A 2 53.621 6.401 7.302 1.00 0.11 H HETATM 1625 H1 ARG A 2 53.392 4.014 7.632 1.00 0.20 H HETATM 1626 H2 ARG A 2 54.468 3.689 6.430 1.00 0.20 H HETATM 1627 H3 ARG A 2 53.020 4.384 6.072 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1030 1029 1366 CONECT 1031 1029 1366 CONECT 1048 1047 1052 1366 CONECT 1064 1063 1366 CONECT 1366 1030 1031 1048 1064 CONECT 1367 1368 1625 1626 1627 CONECT 1368 1367 1369 1606 1624 CONECT 1369 1368 1370 1371 CONECT 1370 1369 CONECT 1371 1369 1372 1605 CONECT 1372 1371 1373 1591 1604 CONECT 1373 1372 1374 1375 CONECT 1374 1373 CONECT 1375 1373 1376 1590 CONECT 1376 1375 1377 1584 1589 CONECT 1377 1376 1378 1379 CONECT 1378 1377 CONECT 1379 1377 1380 1583 CONECT 1380 1379 1381 1578 1582 CONECT 1381 1380 1382 1383 CONECT 1382 1381 CONECT 1383 1381 1384 1577 CONECT 1384 1383 1385 1570 1576 CONECT 1385 1384 1386 1387 CONECT 1386 1385 CONECT 1387 1385 1388 1569 CONECT 1388 1387 1389 1564 1568 CONECT 1389 1388 1390 1391 CONECT 1390 1389 CONECT 1391 1389 1392 1563 CONECT 1392 1391 1393 1551 1562 CONECT 1393 1392 1394 1395 CONECT 1394 1393 CONECT 1395 1393 1396 1550 CONECT 1396 1395 1397 1538 1549 CONECT 1397 1396 1398 1399 CONECT 1398 1397 CONECT 1399 1397 1400 1537 CONECT 1400 1399 1401 1525 1536 CONECT 1401 1400 1402 1403 CONECT 1402 1401 CONECT 1403 1401 1404 1524 CONECT 1404 1403 1405 1519 1523 CONECT 1405 1404 1406 1407 CONECT 1406 1405 CONECT 1407 1405 1408 1518 CONECT 1408 1407 1409 1504 1517 CONECT 1409 1408 1410 1411 CONECT 1410 1409 CONECT 1411 1409 1412 1503 CONECT 1412 1411 1413 1489 1502 CONECT 1413 1412 1414 1415 CONECT 1414 1413 CONECT 1415 1413 1416 1488 CONECT 1416 1415 1417 1486 1487 CONECT 1417 1416 1418 1419 CONECT 1418 1417 CONECT 1419 1417 1420 1485 CONECT 1420 1419 1421 1480 1484 CONECT 1421 1420 1422 1423 CONECT 1422 1421 CONECT 1423 1421 1424 1479 CONECT 1424 1423 1425 1460 1478 CONECT 1425 1424 1426 1427 CONECT 1426 1425 CONECT 1427 1425 1428 1459 CONECT 1428 1427 1429 1454 1458 CONECT 1429 1428 1430 1431 CONECT 1430 1429 CONECT 1431 1429 1432 1453 CONECT 1432 1431 1433 1436 1452 CONECT 1433 1432 1434 1435 CONECT 1434 1433 CONECT 1435 1433 CONECT 1436 1432 1437 1450 1451 CONECT 1437 1436 1438 1448 1449 CONECT 1438 1437 1439 1446 1447 CONECT 1439 1438 1440 1444 1445 CONECT 1440 1439 1441 1442 1443 CONECT 1441 1440 CONECT 1442 1440 CONECT 1443 1440 CONECT 1444 1439 CONECT 1445 1439 CONECT 1446 1438 CONECT 1447 1438 CONECT 1448 1437 CONECT 1449 1437 CONECT 1450 1436 CONECT 1451 1436 CONECT 1452 1432 CONECT 1453 1431 CONECT 1454 1428 1455 1456 1457 CONECT 1455 1454 CONECT 1456 1454 CONECT 1457 1454 CONECT 1458 1428 CONECT 1459 1427 CONECT 1460 1424 1461 1476 1477 CONECT 1461 1460 1462 1474 1475 CONECT 1462 1461 1463 1472 1473 CONECT 1463 1462 1464 1471 CONECT 1464 1463 1465 1468 CONECT 1465 1464 1466 1467 CONECT 1466 1465 CONECT 1467 1465 CONECT 1468 1464 1469 1470 CONECT 1469 1468 CONECT 1470 1468 CONECT 1471 1463 CONECT 1472 1462 CONECT 1473 1462 CONECT 1474 1461 CONECT 1475 1461 CONECT 1476 1460 CONECT 1477 1460 CONECT 1478 1424 CONECT 1479 1423 CONECT 1480 1420 1481 1482 1483 CONECT 1481 1480 CONECT 1482 1480 CONECT 1483 1480 CONECT 1484 1420 CONECT 1485 1419 CONECT 1486 1416 CONECT 1487 1416 CONECT 1488 1415 CONECT 1489 1412 1490 1500 1501 CONECT 1490 1489 1491 1495 1499 CONECT 1491 1490 1492 1493 1494 CONECT 1492 1491 CONECT 1493 1491 CONECT 1494 1491 CONECT 1495 1490 1496 1497 1498 CONECT 1496 1495 CONECT 1497 1495 CONECT 1498 1495 CONECT 1499 1490 CONECT 1500 1489 CONECT 1501 1489 CONECT 1502 1412 CONECT 1503 1411 CONECT 1504 1408 1505 1515 1516 CONECT 1505 1504 1506 1510 1514 CONECT 1506 1505 1507 1508 1509 CONECT 1507 1506 CONECT 1508 1506 CONECT 1509 1506 CONECT 1510 1505 1511 1512 1513 CONECT 1511 1510 CONECT 1512 1510 CONECT 1513 1510 CONECT 1514 1505 CONECT 1515 1504 CONECT 1516 1504 CONECT 1517 1408 CONECT 1518 1407 CONECT 1519 1404 1520 1521 1522 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1519 CONECT 1523 1404 CONECT 1524 1403 CONECT 1525 1400 1526 1534 1535 CONECT 1526 1525 1527 1532 1533 CONECT 1527 1526 1528 1529 CONECT 1528 1527 CONECT 1529 1527 1530 1531 CONECT 1530 1529 CONECT 1531 1529 CONECT 1532 1526 CONECT 1533 1526 CONECT 1534 1525 CONECT 1535 1525 CONECT 1536 1400 CONECT 1537 1399 CONECT 1538 1396 1539 1547 1548 CONECT 1539 1538 1540 1545 1546 CONECT 1540 1539 1541 CONECT 1541 1540 1542 1543 1544 CONECT 1542 1541 CONECT 1543 1541 CONECT 1544 1541 CONECT 1545 1539 CONECT 1546 1539 CONECT 1547 1538 CONECT 1548 1538 CONECT 1549 1396 CONECT 1550 1395 CONECT 1551 1392 1552 1560 1561 CONECT 1552 1551 1553 1558 1559 CONECT 1553 1552 1554 CONECT 1554 1553 1555 1556 1557 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1554 CONECT 1558 1552 CONECT 1559 1552 CONECT 1560 1551 CONECT 1561 1551 CONECT 1562 1392 CONECT 1563 1391 CONECT 1564 1388 1565 1566 1567 CONECT 1565 1564 CONECT 1566 1564 CONECT 1567 1564 CONECT 1568 1388 CONECT 1569 1387 CONECT 1570 1384 1571 1574 1575 CONECT 1571 1570 1572 1573 CONECT 1572 1571 CONECT 1573 1571 CONECT 1574 1570 CONECT 1575 1570 CONECT 1576 1384 CONECT 1577 1383 CONECT 1578 1380 1579 1580 1581 CONECT 1579 1578 CONECT 1580 1578 CONECT 1581 1578 CONECT 1582 1380 CONECT 1583 1379 CONECT 1584 1376 1585 1587 1588 CONECT 1585 1584 1586 CONECT 1586 1585 CONECT 1587 1584 CONECT 1588 1584 CONECT 1589 1376 CONECT 1590 1375 CONECT 1591 1372 1592 1599 1603 CONECT 1592 1591 1593 1597 1598 CONECT 1593 1592 1594 1595 1596 CONECT 1594 1593 CONECT 1595 1593 CONECT 1596 1593 CONECT 1597 1592 CONECT 1598 1592 CONECT 1599 1591 1600 1601 1602 CONECT 1600 1599 CONECT 1601 1599 CONECT 1602 1599 CONECT 1603 1591 CONECT 1604 1372 CONECT 1605 1371 CONECT 1606 1368 1607 1622 1623 CONECT 1607 1606 1608 1620 1621 CONECT 1608 1607 1609 1618 1619 CONECT 1609 1608 1610 1617 CONECT 1610 1609 1611 1614 CONECT 1611 1610 1612 1613 CONECT 1612 1611 CONECT 1613 1611 CONECT 1614 1610 1615 1616 CONECT 1615 1614 CONECT 1616 1614 CONECT 1617 1609 CONECT 1618 1608 CONECT 1619 1608 CONECT 1620 1607 CONECT 1621 1607 CONECT 1622 1606 CONECT 1623 1606 CONECT 1624 1368 CONECT 1625 1367 CONECT 1626 1367 CONECT 1627 1367 MASTER 0 0 0 0 0 0 0 0 1626 1 270 7 END
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Entry Information
PDB ID
1mxl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human Cardiac Troponin-C(cNTnC路Ca2+)
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=154uM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
(1999) Biochemistry Vol. 38: pp. 8289-8298
Ligand Properties
Formula
C
7
5
H
1
3
9
N
2
5
O
2
2
S
2
Molecular Weight
1807.190
Exact Mass
1806.000
No. of atoms
263
No. of bonds
262
Polar Surface Area
841.42
LOGP Value
-3.67 (
Computed with XLOGP3
)
-4.02 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 20
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 78
No. of Nitrogen and Oxygen Atoms: 47
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])CO)C)CC(=O)O)C)CCSC)CCSC)CCC(=O)N)C)CC(C)C)CC(C)C)C)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C75H135N25O22S2/c1-14-38(6)57(100-63(111)44(77)19-17-27-83-74(79)80)72(120)99-53(35-101)71(119)90-43(11)62(110)97-52(33-56(104)105)69(117)89-40(8)59(107)92-47(24-29-123-12)67(115)94-48(25-30-124-13)68(116)93-46(22-23-54(78)102)66(114)88-42(10)61(109)96-51(32-37(4)5)70(118)98-50(31-36(2)3)64(112)85-34-55(103)86-39(7)58(106)91-45(21-18-28-84-75(81)82)65(113)87-41(9)60(108)95-49(73(121)122)20-15-16-26-76/h36-53,57,101H,14-35,76-77H2,1-13H3,(H2,78,102)(H,85,112)(H,86,103)(H,87,113)(H,88,114)(H,89,117)(H,90,119)(H,91,106)(H,92,107)(H,93,116)(H,94,115)(H,95,108)(H,96,109)(H,97,110)(H,98,118)(H,99,120)(H,100,111)(H,104,105)(H,121,122)(H4,79,80,83)(H4,81,82,84)/p+4/t38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,57-/m0/s1
Links to External Databases
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Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P19429
P63316
Entrez Gene ID
NCBI Entrez Gene ID:
7137
7134
ASD
Information of known allosteric effects of PDB entries
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