Browse entries in the PDBbind-CN Database
HEADER 5D3C_COMPLEX COMPND 5D3C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 159 MET GLY PRO VAL TRP ARG LYS HIS TYR ILE THR TYR ARG SEQRES 2 A 159 ILE ASN ASN TYR THR PRO ASP MET ASN ARG GLU ASP VAL SEQRES 3 A 159 ASP TYR ALA ILE ARG LYS ALA PHE GLN VAL TRP SER ASN SEQRES 4 A 159 VAL THR PRO LEU LYS PHE SER LYS ILE ASN THR GLY MET SEQRES 5 A 159 ALA ASP ILE LEU VAL VAL PHE ALA ARG GLY ALA HIS GLY SEQRES 6 A 159 ASP ASP HIS ALA PHE ASP GLY LYS GLY GLY ILE LEU ALA SEQRES 7 A 159 HIS ALA PHE GLY PRO GLY SER GLY ILE GLY GLY ASP ALA SEQRES 8 A 159 HIS PHE ASP GLU ASP GLU PHE TRP THR THR HIS SER GLY SEQRES 9 A 159 GLY THR ASN LEU PHE LEU THR ALA VAL HIS GLU ILE GLY SEQRES 10 A 159 HIS SER LEU GLY LEU GLY HIS SER SER ASP PRO LYS ALA SEQRES 11 A 159 VAL MET PHE PRO THR TYR ALA TYR VAL ASP ILE ASN THR SEQRES 12 A 159 PHE ARG LEU SER ALA ASP ASP ILE ARG GLY ILE GLN SER SEQRES 13 A 159 LEU TYR GLY HET ZN A 1 1 HET ZN A 2 1 HET CA A 3 1 HET CA A 4 1 HET CA A 5 1 HET UNN A 439 76 ATOM 1 N MET A 105 0.561 20.217 -12.820 1.00 42.25 N ATOM 2 CA MET A 105 0.923 19.277 -13.874 1.00 42.09 C ATOM 3 C MET A 105 2.426 19.021 -13.892 1.00 40.17 C ATOM 4 O MET A 105 3.036 18.927 -14.957 1.00 40.16 O ATOM 5 CB MET A 105 0.461 19.796 -15.237 1.00 43.88 C ATOM 6 CG MET A 105 -0.985 19.465 -15.569 1.00 45.63 C ATOM 7 SD MET A 105 -1.337 17.699 -15.471 1.00 47.13 S ATOM 8 CE MET A 105 -0.104 17.046 -16.594 1.00 47.21 C ATOM 9 HN3 MET A 105 1.050 21.121 -12.980 1.00 0.00 H ATOM 10 HN2 MET A 105 0.843 19.827 -11.898 1.00 0.00 H ATOM 11 HN1 MET A 105 -0.467 20.371 -12.833 1.00 0.00 H ATOM 12 N GLY A 106 3.017 18.909 -12.707 1.00 38.25 N ATOM 13 CA GLY A 106 4.442 18.666 -12.586 1.00 35.93 C ATOM 14 C GLY A 106 4.824 17.252 -12.973 1.00 32.64 C ATOM 15 O GLY A 106 3.963 16.429 -13.288 1.00 31.49 O ATOM 16 H GLY A 106 2.443 18.998 -11.844 1.00 0.00 H ATOM 17 N PRO A 107 6.094 16.954 -12.885 1.00 31.32 N ATOM 18 CA PRO A 107 6.585 15.649 -13.252 1.00 28.93 C ATOM 19 C PRO A 107 6.076 14.575 -12.329 1.00 24.91 C ATOM 20 O PRO A 107 5.828 14.881 -11.203 1.00 25.88 O ATOM 21 CB PRO A 107 8.073 15.780 -13.082 1.00 31.17 C ATOM 22 CG PRO A 107 8.286 16.933 -12.212 1.00 31.66 C ATOM 23 CD PRO A 107 7.098 17.759 -12.182 1.00 32.02 C ATOM 24 N VAL A 108 5.980 13.352 -12.777 1.00 21.12 N ATOM 25 CA VAL A 108 5.551 12.257 -11.916 1.00 20.61 C ATOM 26 C VAL A 108 6.552 11.124 -12.007 1.00 19.67 C ATOM 27 O VAL A 108 7.277 11.007 -13.002 1.00 20.04 O ATOM 28 CB VAL A 108 4.152 11.719 -12.300 1.00 22.81 C ATOM 29 CG1 VAL A 108 3.103 12.806 -12.150 1.00 24.27 C ATOM 30 CG2 VAL A 108 4.155 11.155 -13.724 1.00 23.09 C ATOM 31 H VAL A 108 6.215 13.155 -13.771 1.00 0.00 H ATOM 32 N TRP A 109 6.618 10.311 -10.958 1.00 18.58 N ATOM 33 CA TRP A 109 7.312 9.033 -11.054 1.00 19.63 C ATOM 34 C TRP A 109 6.526 8.155 -12.008 1.00 21.07 C ATOM 35 O TRP A 109 5.301 8.066 -11.908 1.00 21.58 O ATOM 36 CB TRP A 109 7.397 8.359 -9.682 1.00 19.31 C ATOM 37 CG TRP A 109 8.121 9.183 -8.664 1.00 18.21 C ATOM 38 CD1 TRP A 109 7.566 9.936 -7.668 1.00 18.14 C ATOM 39 CD2 TRP A 109 9.538 9.362 -8.561 1.00 17.77 C ATOM 40 NE1 TRP A 109 8.553 10.563 -6.942 1.00 18.00 N ATOM 41 CE2 TRP A 109 9.773 10.224 -7.470 1.00 17.77 C ATOM 42 CE3 TRP A 109 10.632 8.869 -9.281 1.00 18.91 C ATOM 43 CZ2 TRP A 109 11.060 10.614 -7.088 1.00 18.93 C ATOM 44 CZ3 TRP A 109 11.903 9.254 -8.900 1.00 19.24 C ATOM 45 CH2 TRP A 109 12.108 10.119 -7.816 1.00 19.06 C ATOM 46 HE1 TRP A 109 8.399 11.191 -6.127 1.00 0.00 H ATOM 47 H TRP A 109 6.171 10.589 -10.061 1.00 0.00 H ATOM 48 N ARG A 110 7.220 7.523 -12.946 1.00 21.88 N ATOM 49 CA ARG A 110 6.557 6.633 -13.892 1.00 23.03 C ATOM 50 C ARG A 110 6.594 5.190 -13.388 1.00 22.54 C ATOM 51 O ARG A 110 6.886 4.258 -14.139 1.00 23.90 O ATOM 52 CB ARG A 110 7.176 6.770 -15.286 1.00 25.44 C ATOM 53 CG ARG A 110 6.890 8.127 -15.951 1.00 26.99 C ATOM 54 CD ARG A 110 7.360 8.162 -17.406 1.00 28.89 C ATOM 55 NE ARG A 110 7.094 6.891 -18.066 1.00 29.92 N ATOM 56 CZ ARG A 110 8.000 6.184 -18.735 1.00 30.43 C ATOM 57 NH1 ARG A 110 7.656 5.029 -19.286 1.00 31.09 N ATOM 58 NH2 ARG A 110 9.244 6.630 -18.866 1.00 30.24 N ATOM 59 HE ARG A 110 6.128 6.510 -18.010 1.00 0.00 H ATOM 60 HH12 ARG A 110 8.361 4.472 -19.810 1.00 0.00 H ATOM 61 HH11 ARG A 110 6.681 4.679 -19.194 1.00 0.00 H ATOM 62 HH22 ARG A 110 9.945 6.069 -19.391 1.00 0.00 H ATOM 63 HH21 ARG A 110 9.517 7.540 -18.443 1.00 0.00 H ATOM 64 H ARG A 110 8.249 7.664 -13.007 1.00 0.00 H ATOM 65 N LYS A 111 6.294 5.029 -12.102 1.00 20.45 N ATOM 66 CA LYS A 111 6.225 3.726 -11.447 1.00 18.79 C ATOM 67 C LYS A 111 5.473 3.938 -10.141 1.00 18.42 C ATOM 68 O LYS A 111 5.331 5.081 -9.685 1.00 18.87 O ATOM 69 CB LYS A 111 7.625 3.180 -11.170 1.00 18.12 C ATOM 70 CG LYS A 111 8.499 4.120 -10.356 1.00 18.21 C ATOM 71 CD LYS A 111 9.924 3.583 -10.228 1.00 17.69 C ATOM 72 CE LYS A 111 10.786 4.476 -9.357 1.00 18.14 C ATOM 73 NZ LYS A 111 12.172 3.910 -9.284 1.00 18.08 N ATOM 74 HZ1 LYS A 111 12.134 2.955 -8.874 1.00 0.00 H ATOM 75 HZ2 LYS A 111 12.576 3.862 -10.241 1.00 0.00 H ATOM 76 HZ3 LYS A 111 12.764 4.522 -8.687 1.00 0.00 H ATOM 77 H LYS A 111 6.098 5.877 -11.533 1.00 0.00 H ATOM 78 N HIS A 112 4.981 2.856 -9.544 1.00 17.30 N ATOM 79 CA HIS A 112 4.204 2.965 -8.317 1.00 16.95 C ATOM 80 C HIS A 112 4.923 2.419 -7.085 1.00 16.90 C ATOM 81 O HIS A 112 4.396 2.491 -5.975 1.00 18.22 O ATOM 82 CB HIS A 112 2.831 2.301 -8.486 1.00 16.32 C ATOM 83 CG HIS A 112 1.907 3.056 -9.395 1.00 16.85 C ATOM 84 ND1 HIS A 112 0.745 2.507 -9.897 1.00 17.48 N ATOM 85 CD2 HIS A 112 1.961 4.321 -9.870 1.00 17.79 C ATOM 86 CE1 HIS A 112 0.133 3.401 -10.655 1.00 17.75 C ATOM 87 NE2 HIS A 112 0.847 4.512 -10.656 1.00 18.18 N ATOM 88 H HIS A 112 5.154 1.918 -9.959 1.00 0.00 H ATOM 89 N TYR A 113 6.124 1.887 -7.282 1.00 15.12 N ATOM 90 CA TYR A 113 6.963 1.440 -6.176 1.00 15.89 C ATOM 91 C TYR A 113 8.112 2.424 -6.072 1.00 15.83 C ATOM 92 O TYR A 113 8.917 2.547 -7.005 1.00 16.73 O ATOM 93 CB TYR A 113 7.510 0.033 -6.420 1.00 15.79 C ATOM 94 CG TYR A 113 8.501 -0.397 -5.357 1.00 16.19 C ATOM 95 CD1 TYR A 113 9.804 -0.739 -5.695 1.00 16.15 C ATOM 96 CD2 TYR A 113 8.139 -0.447 -4.013 1.00 17.60 C ATOM 97 CE1 TYR A 113 10.721 -1.125 -4.731 1.00 16.48 C ATOM 98 CE2 TYR A 113 9.047 -0.849 -3.034 1.00 17.58 C ATOM 99 CZ TYR A 113 10.341 -1.181 -3.407 1.00 16.84 C ATOM 100 OH TYR A 113 11.253 -1.573 -2.456 1.00 17.56 O ATOM 101 HH TYR A 113 12.119 -1.771 -2.893 1.00 0.00 H ATOM 102 H TYR A 113 6.477 1.786 -8.255 1.00 0.00 H ATOM 103 N ILE A 114 8.195 3.123 -4.945 1.00 15.14 N ATOM 104 CA ILE A 114 9.164 4.198 -4.765 1.00 15.45 C ATOM 105 C ILE A 114 9.931 3.949 -3.472 1.00 15.32 C ATOM 106 O ILE A 114 9.332 3.666 -2.434 1.00 16.42 O ATOM 107 CB ILE A 114 8.438 5.567 -4.695 1.00 16.16 C ATOM 108 CG1 ILE A 114 7.769 5.879 -6.039 1.00 18.03 C ATOM 109 CG2 ILE A 114 9.400 6.679 -4.285 1.00 16.80 C ATOM 110 CD1 ILE A 114 6.704 6.952 -5.968 1.00 18.88 C ATOM 111 H ILE A 114 7.547 2.896 -4.164 1.00 0.00 H ATOM 112 N THR A 115 11.257 4.026 -3.534 1.00 14.97 N ATOM 113 CA THR A 115 12.071 3.830 -2.347 1.00 15.10 C ATOM 114 C THR A 115 12.563 5.149 -1.793 1.00 14.91 C ATOM 115 O THR A 115 12.752 6.118 -2.536 1.00 15.19 O ATOM 116 CB THR A 115 13.264 2.905 -2.605 1.00 16.44 C ATOM 117 OG1 THR A 115 14.040 3.420 -3.693 1.00 17.61 O ATOM 118 CG2 THR A 115 12.781 1.487 -2.915 1.00 16.60 C ATOM 119 HG1 THR A 115 13.476 3.467 -4.505 1.00 0.00 H ATOM 120 H THR A 115 11.717 4.229 -4.444 1.00 0.00 H ATOM 121 N TYR A 116 12.747 5.178 -0.475 1.00 13.77 N ATOM 122 CA TYR A 116 13.389 6.307 0.170 1.00 14.20 C ATOM 123 C TYR A 116 14.512 5.847 1.085 1.00 14.66 C ATOM 124 O TYR A 116 14.542 4.701 1.532 1.00 15.27 O ATOM 125 CB TYR A 116 12.376 7.163 0.915 1.00 14.97 C ATOM 126 CG TYR A 116 11.800 6.591 2.186 1.00 14.10 C ATOM 127 CD1 TYR A 116 12.359 6.890 3.428 1.00 14.72 C ATOM 128 CD2 TYR A 116 10.642 5.813 2.160 1.00 14.59 C ATOM 129 CE1 TYR A 116 11.801 6.421 4.603 1.00 15.65 C ATOM 130 CE2 TYR A 116 10.075 5.331 3.335 1.00 15.77 C ATOM 131 CZ TYR A 116 10.658 5.638 4.548 1.00 16.63 C ATOM 132 OH TYR A 116 10.090 5.170 5.711 1.00 19.09 O ATOM 133 HH TYR A 116 10.626 5.477 6.485 1.00 0.00 H ATOM 134 H TYR A 116 12.424 4.376 0.103 1.00 0.00 H ATOM 135 N ARG A 117 15.458 6.743 1.338 1.00 14.36 N ATOM 136 CA ARG A 117 16.554 6.463 2.256 1.00 14.44 C ATOM 137 C ARG A 117 16.800 7.709 3.088 1.00 13.84 C ATOM 138 O ARG A 117 16.817 8.821 2.550 1.00 15.13 O ATOM 139 CB ARG A 117 17.829 6.089 1.491 1.00 15.63 C ATOM 140 CG ARG A 117 19.055 5.907 2.384 1.00 16.83 C ATOM 141 CD ARG A 117 20.262 5.296 1.645 1.00 18.64 C ATOM 142 NE ARG A 117 20.879 6.227 0.702 1.00 20.38 N ATOM 143 CZ ARG A 117 21.768 7.160 1.045 1.00 22.49 C ATOM 144 NH1 ARG A 117 22.138 7.290 2.310 1.00 23.13 N ATOM 145 NH2 ARG A 117 22.283 7.972 0.126 1.00 23.70 N ATOM 146 HE ARG A 117 20.608 6.157 -0.300 1.00 0.00 H ATOM 147 HH12 ARG A 117 22.831 8.018 2.577 1.00 0.00 H ATOM 148 HH11 ARG A 117 21.735 6.664 3.037 1.00 0.00 H ATOM 149 HH22 ARG A 117 22.976 8.697 0.402 1.00 0.00 H ATOM 150 HH21 ARG A 117 21.993 7.882 -0.869 1.00 0.00 H ATOM 151 H ARG A 117 15.416 7.670 0.868 1.00 0.00 H ATOM 152 N ILE A 118 16.971 7.535 4.396 1.00 14.00 N ATOM 153 CA ILE A 118 17.311 8.646 5.268 1.00 15.27 C ATOM 154 C ILE A 118 18.834 8.751 5.284 1.00 14.27 C ATOM 155 O ILE A 118 19.528 7.900 5.845 1.00 15.72 O ATOM 156 CB ILE A 118 16.699 8.484 6.678 1.00 16.53 C ATOM 157 CG1 ILE A 118 15.172 8.383 6.559 1.00 17.61 C ATOM 158 CG2 ILE A 118 17.094 9.663 7.579 1.00 16.92 C ATOM 159 CD1 ILE A 118 14.439 8.191 7.876 1.00 18.48 C ATOM 160 H ILE A 118 16.859 6.584 4.802 1.00 0.00 H ATOM 161 N ASN A 119 19.349 9.779 4.617 1.00 13.97 N ATOM 162 CA ASN A 119 20.786 9.951 4.420 1.00 15.48 C ATOM 163 C ASN A 119 21.526 10.237 5.712 1.00 16.21 C ATOM 164 O ASN A 119 22.673 9.819 5.894 1.00 17.82 O ATOM 165 CB ASN A 119 21.029 11.105 3.443 1.00 16.56 C ATOM 166 CG ASN A 119 22.504 11.437 3.287 1.00 18.12 C ATOM 167 OD1 ASN A 119 23.248 10.687 2.655 1.00 19.51 O ATOM 168 ND2 ASN A 119 22.932 12.561 3.866 1.00 18.70 N ATOM 169 HD22 ASN A 119 22.265 13.163 4.390 1.00 0.00 H ATOM 170 HD21 ASN A 119 23.933 12.835 3.793 1.00 0.00 H ATOM 171 H ASN A 119 18.702 10.490 4.219 1.00 0.00 H ATOM 172 N ASN A 120 20.872 10.990 6.589 1.00 15.66 N ATOM 173 CA ASN A 120 21.451 11.420 7.851 1.00 15.37 C ATOM 174 C ASN A 120 20.353 11.885 8.785 1.00 15.47 C ATOM 175 O ASN A 120 19.214 12.111 8.353 1.00 15.69 O ATOM 176 CB ASN A 120 22.535 12.504 7.659 1.00 15.40 C ATOM 177 CG ASN A 120 21.985 13.832 7.133 1.00 16.21 C ATOM 178 OD1 ASN A 120 21.390 13.897 6.054 1.00 16.51 O ATOM 179 ND2 ASN A 120 22.213 14.908 7.894 1.00 16.57 N ATOM 180 HD22 ASN A 120 22.719 14.808 8.797 1.00 0.00 H ATOM 181 HD21 ASN A 120 21.884 15.844 7.583 1.00 0.00 H ATOM 182 H ASN A 120 19.901 11.286 6.362 1.00 0.00 H ATOM 183 N TYR A 121 20.693 12.009 10.061 1.00 16.27 N ATOM 184 CA TYR A 121 19.708 12.270 11.111 1.00 17.10 C ATOM 185 C TYR A 121 19.995 13.554 11.867 1.00 18.10 C ATOM 186 O TYR A 121 21.127 13.787 12.296 1.00 19.67 O ATOM 187 CB TYR A 121 19.673 11.100 12.104 1.00 17.83 C ATOM 188 CG TYR A 121 19.050 9.857 11.536 1.00 17.13 C ATOM 189 CD1 TYR A 121 17.708 9.572 11.761 1.00 17.29 C ATOM 190 CD2 TYR A 121 19.793 8.976 10.755 1.00 17.03 C ATOM 191 CE1 TYR A 121 17.117 8.441 11.233 1.00 17.56 C ATOM 192 CE2 TYR A 121 19.211 7.833 10.225 1.00 17.43 C ATOM 193 CZ TYR A 121 17.873 7.574 10.467 1.00 18.17 C ATOM 194 OH TYR A 121 17.289 6.448 9.936 1.00 19.41 O ATOM 195 HH TYR A 121 16.336 6.415 10.203 1.00 0.00 H ATOM 196 H TYR A 121 21.695 11.918 10.324 1.00 0.00 H ATOM 197 N THR A 122 18.971 14.384 12.041 1.00 17.96 N ATOM 198 CA THR A 122 19.119 15.569 12.870 1.00 17.59 C ATOM 199 C THR A 122 19.415 15.161 14.316 1.00 18.98 C ATOM 200 O THR A 122 18.826 14.202 14.835 1.00 20.69 O ATOM 201 CB THR A 122 17.857 16.459 12.831 1.00 17.16 C ATOM 202 OG1 THR A 122 17.988 17.500 13.806 1.00 17.13 O ATOM 203 CG2 THR A 122 16.597 15.648 13.135 1.00 17.88 C ATOM 204 HG1 THR A 122 18.788 18.046 13.599 1.00 0.00 H ATOM 205 H THR A 122 18.059 14.184 11.582 1.00 0.00 H ATOM 206 N PRO A 123 20.335 15.880 14.981 1.00 19.61 N ATOM 207 CA PRO A 123 20.575 15.608 16.403 1.00 20.88 C ATOM 208 C PRO A 123 19.454 16.150 17.296 1.00 20.85 C ATOM 209 O PRO A 123 19.454 15.879 18.498 1.00 20.93 O ATOM 210 CB PRO A 123 21.879 16.364 16.685 1.00 22.05 C ATOM 211 CG PRO A 123 21.883 17.473 15.698 1.00 21.18 C ATOM 212 CD PRO A 123 21.241 16.916 14.452 1.00 20.53 C ATOM 213 N ASP A 124 18.516 16.893 16.715 1.00 21.22 N ATOM 214 CA ASP A 124 17.430 17.509 17.483 1.00 21.04 C ATOM 215 C ASP A 124 16.482 16.469 18.081 1.00 20.41 C ATOM 216 O ASP A 124 15.823 16.727 19.095 1.00 20.51 O ATOM 217 CB ASP A 124 16.585 18.438 16.604 1.00 20.38 C ATOM 218 CG ASP A 124 17.392 19.509 15.897 1.00 19.64 C ATOM 219 OD1 ASP A 124 18.590 19.711 16.206 1.00 20.67 O ATOM 220 OD2 ASP A 124 16.800 20.164 15.013 1.00 18.89 O ATOM 221 H ASP A 124 18.554 17.041 15.686 1.00 0.00 H ATOM 222 N MET A 125 16.393 15.310 17.426 1.00 20.65 N ATOM 223 CA MET A 125 15.440 14.263 17.778 1.00 22.59 C ATOM 224 C MET A 125 16.155 12.933 17.877 1.00 23.44 C ATOM 225 O MET A 125 17.278 12.786 17.389 1.00 24.95 O ATOM 226 CB MET A 125 14.374 14.139 16.678 1.00 23.38 C ATOM 227 CG MET A 125 13.554 15.394 16.426 1.00 23.07 C ATOM 228 SD MET A 125 12.518 15.325 14.948 1.00 23.40 S ATOM 229 CE MET A 125 11.706 13.757 15.224 1.00 22.14 C ATOM 230 H MET A 125 17.035 15.145 16.625 1.00 0.00 H ATOM 231 N ASN A 126 15.580 11.925 18.508 1.00 23.12 N ATOM 232 CA ASN A 126 16.287 10.651 18.422 1.00 23.49 C ATOM 233 C ASN A 126 15.955 9.933 17.116 1.00 22.90 C ATOM 234 O ASN A 126 14.930 10.209 16.484 1.00 22.82 O ATOM 235 CB ASN A 126 16.074 9.773 19.655 1.00 24.05 C ATOM 236 CG ASN A 126 14.624 9.460 19.899 1.00 25.41 C ATOM 237 OD1 ASN A 126 13.900 9.076 18.981 1.00 25.95 O ATOM 238 ND2 ASN A 126 14.180 9.638 21.138 1.00 26.93 N ATOM 239 HD22 ASN A 126 14.830 9.964 21.881 1.00 0.00 H ATOM 240 HD21 ASN A 126 13.182 9.451 21.365 1.00 0.00 H ATOM 241 H ASN A 126 14.686 12.032 19.029 1.00 0.00 H ATOM 242 N ARG A 127 16.837 9.025 16.720 1.00 22.83 N ATOM 243 CA ARG A 127 16.754 8.359 15.428 1.00 23.36 C ATOM 244 C ARG A 127 15.408 7.681 15.176 1.00 21.75 C ATOM 245 O ARG A 127 14.859 7.761 14.076 1.00 20.99 O ATOM 246 CB ARG A 127 17.889 7.346 15.323 1.00 25.84 C ATOM 247 CG ARG A 127 17.757 6.357 14.194 1.00 28.66 C ATOM 248 CD ARG A 127 18.892 5.350 14.272 1.00 30.75 C ATOM 249 NE ARG A 127 20.161 5.928 13.847 1.00 31.94 N ATOM 250 CZ ARG A 127 20.697 5.728 12.647 1.00 32.64 C ATOM 251 NH1 ARG A 127 20.070 4.963 11.761 1.00 32.47 N ATOM 252 NH2 ARG A 127 21.859 6.287 12.329 1.00 33.14 N ATOM 253 HE ARG A 127 20.676 6.531 14.520 1.00 0.00 H ATOM 254 HH12 ARG A 127 20.488 4.806 10.822 1.00 0.00 H ATOM 255 HH11 ARG A 127 19.161 4.521 12.006 1.00 0.00 H ATOM 256 HH22 ARG A 127 22.273 6.127 11.389 1.00 0.00 H ATOM 257 HH21 ARG A 127 22.355 6.885 13.020 1.00 0.00 H ATOM 258 H ARG A 127 17.620 8.779 17.359 1.00 0.00 H ATOM 259 N GLU A 128 14.874 7.023 16.198 1.00 21.14 N ATOM 260 CA GLU A 128 13.623 6.289 16.039 1.00 21.20 C ATOM 261 C GLU A 128 12.465 7.240 15.743 1.00 20.06 C ATOM 262 O GLU A 128 11.546 6.899 14.987 1.00 20.00 O ATOM 263 CB GLU A 128 13.331 5.441 17.286 1.00 24.52 C ATOM 264 CG GLU A 128 14.394 4.382 17.586 1.00 27.85 C ATOM 265 CD GLU A 128 15.723 4.961 18.057 1.00 28.68 C ATOM 266 OE1 GLU A 128 15.723 6.029 18.708 1.00 28.41 O ATOM 267 OE2 GLU A 128 16.770 4.354 17.759 1.00 29.60 O ATOM 268 H GLU A 128 15.352 7.031 17.121 1.00 0.00 H ATOM 269 N ASP A 129 12.522 8.444 16.308 1.00 19.90 N ATOM 270 CA ASP A 129 11.463 9.423 16.079 1.00 19.54 C ATOM 271 C ASP A 129 11.558 10.061 14.696 1.00 18.12 C ATOM 272 O ASP A 129 10.530 10.396 14.094 1.00 18.29 O ATOM 273 CB ASP A 129 11.462 10.494 17.177 1.00 20.74 C ATOM 274 CG ASP A 129 11.073 9.936 18.535 1.00 24.01 C ATOM 275 OD1 ASP A 129 10.472 8.838 18.583 1.00 25.25 O ATOM 276 OD2 ASP A 129 11.365 10.600 19.553 1.00 25.27 O ATOM 277 H ASP A 129 13.328 8.690 16.918 1.00 0.00 H ATOM 278 N VAL A 130 12.779 10.218 14.179 1.00 17.51 N ATOM 279 CA VAL A 130 12.941 10.665 12.798 1.00 16.42 C ATOM 280 C VAL A 130 12.364 9.610 11.843 1.00 15.99 C ATOM 281 O VAL A 130 11.572 9.927 10.947 1.00 16.42 O ATOM 282 CB VAL A 130 14.413 10.976 12.450 1.00 16.25 C ATOM 283 CG1 VAL A 130 14.553 11.229 10.953 1.00 16.54 C ATOM 284 CG2 VAL A 130 14.911 12.174 13.255 1.00 17.38 C ATOM 285 H VAL A 130 13.618 10.021 14.762 1.00 0.00 H ATOM 286 N ASP A 131 12.751 8.353 12.044 1.00 15.88 N ATOM 287 CA ASP A 131 12.221 7.262 11.229 1.00 16.17 C ATOM 288 C ASP A 131 10.694 7.264 11.248 1.00 16.34 C ATOM 289 O ASP A 131 10.040 7.120 10.209 1.00 16.17 O ATOM 290 CB ASP A 131 12.730 5.909 11.743 1.00 17.48 C ATOM 291 CG ASP A 131 14.177 5.637 11.387 1.00 20.12 C ATOM 292 OD1 ASP A 131 14.769 6.424 10.632 1.00 19.91 O ATOM 293 OD2 ASP A 131 14.712 4.610 11.856 1.00 22.13 O ATOM 294 H ASP A 131 13.442 8.144 12.793 1.00 0.00 H ATOM 295 N TYR A 132 10.128 7.433 12.439 1.00 16.51 N ATOM 296 CA TYR A 132 8.683 7.361 12.604 1.00 16.81 C ATOM 297 C TYR A 132 7.990 8.504 11.870 1.00 17.21 C ATOM 298 O TYR A 132 7.022 8.284 11.141 1.00 17.64 O ATOM 299 CB TYR A 132 8.333 7.364 14.095 1.00 20.01 C ATOM 300 CG TYR A 132 6.855 7.330 14.408 1.00 23.89 C ATOM 301 CD1 TYR A 132 6.198 8.467 14.863 1.00 25.93 C ATOM 302 CD2 TYR A 132 6.119 6.158 14.263 1.00 26.24 C ATOM 303 CE1 TYR A 132 4.852 8.444 15.162 1.00 27.55 C ATOM 304 CE2 TYR A 132 4.768 6.123 14.558 1.00 28.02 C ATOM 305 CZ TYR A 132 4.140 7.274 15.003 1.00 28.74 C ATOM 306 OH TYR A 132 2.801 7.250 15.298 1.00 30.96 O ATOM 307 HH TYR A 132 2.515 8.148 15.599 1.00 0.00 H ATOM 308 H TYR A 132 10.728 7.620 13.268 1.00 0.00 H ATOM 309 N ALA A 133 8.492 9.721 12.057 1.00 17.25 N ATOM 310 CA ALA A 133 7.916 10.888 11.390 1.00 17.07 C ATOM 311 C ALA A 133 7.923 10.738 9.866 1.00 15.95 C ATOM 312 O ALA A 133 6.934 11.041 9.190 1.00 16.98 O ATOM 313 CB ALA A 133 8.650 12.151 11.800 1.00 17.35 C ATOM 314 H ALA A 133 9.309 9.845 12.689 1.00 0.00 H ATOM 315 N ILE A 134 9.042 10.280 9.318 1.00 15.35 N ATOM 316 CA ILE A 134 9.170 10.140 7.875 1.00 14.67 C ATOM 317 C ILE A 134 8.263 9.022 7.344 1.00 15.70 C ATOM 318 O ILE A 134 7.582 9.195 6.328 1.00 15.96 O ATOM 319 CB ILE A 134 10.645 9.908 7.465 1.00 15.27 C ATOM 320 CG1 ILE A 134 11.508 11.127 7.847 1.00 15.96 C ATOM 321 CG2 ILE A 134 10.736 9.610 5.978 1.00 15.99 C ATOM 322 CD1 ILE A 134 11.054 12.447 7.212 1.00 16.36 C ATOM 323 H ILE A 134 9.841 10.017 9.930 1.00 0.00 H ATOM 324 N ARG A 135 8.230 7.889 8.042 1.00 16.06 N ATOM 325 CA ARG A 135 7.361 6.785 7.645 1.00 16.47 C ATOM 326 C ARG A 135 5.893 7.214 7.635 1.00 15.70 C ATOM 327 O ARG A 135 5.155 6.923 6.690 1.00 15.73 O ATOM 328 CB ARG A 135 7.553 5.587 8.573 1.00 17.89 C ATOM 329 CG ARG A 135 6.779 4.347 8.136 1.00 20.48 C ATOM 330 CD ARG A 135 7.086 3.140 9.025 1.00 23.86 C ATOM 331 NE ARG A 135 6.625 3.329 10.399 1.00 27.73 N ATOM 332 CZ ARG A 135 5.363 3.162 10.791 1.00 30.68 C ATOM 333 NH1 ARG A 135 4.427 2.813 9.913 1.00 31.88 N ATOM 334 NH2 ARG A 135 5.028 3.348 12.061 1.00 31.87 N ATOM 335 HE ARG A 135 7.325 3.611 11.114 1.00 0.00 H ATOM 336 HH12 ARG A 135 3.443 2.684 10.225 1.00 0.00 H ATOM 337 HH11 ARG A 135 4.679 2.669 8.914 1.00 0.00 H ATOM 338 HH22 ARG A 135 4.042 3.217 12.363 1.00 0.00 H ATOM 339 HH21 ARG A 135 5.752 3.625 12.754 1.00 0.00 H ATOM 340 H ARG A 135 8.833 7.789 8.884 1.00 0.00 H ATOM 341 N LYS A 136 5.473 7.913 8.685 1.00 15.64 N ATOM 342 CA LYS A 136 4.094 8.393 8.760 1.00 16.32 C ATOM 343 C LYS A 136 3.782 9.421 7.670 1.00 15.35 C ATOM 344 O LYS A 136 2.668 9.439 7.129 1.00 15.45 O ATOM 345 CB LYS A 136 3.800 8.968 10.147 1.00 18.44 C ATOM 346 CG LYS A 136 3.910 7.942 11.275 1.00 22.08 C ATOM 347 CD LYS A 136 2.861 6.853 11.156 1.00 25.45 C ATOM 348 CE LYS A 136 1.542 7.299 11.749 1.00 28.96 C ATOM 349 NZ LYS A 136 0.554 6.187 11.730 1.00 31.35 N ATOM 350 HZ1 LYS A 136 0.396 5.882 10.748 1.00 0.00 H ATOM 351 HZ2 LYS A 136 0.921 5.389 12.287 1.00 0.00 H ATOM 352 HZ3 LYS A 136 -0.343 6.515 12.141 1.00 0.00 H ATOM 353 H LYS A 136 6.133 8.121 9.462 1.00 0.00 H ATOM 354 N ALA A 137 4.750 10.275 7.346 1.00 15.24 N ATOM 355 CA ALA A 137 4.553 11.255 6.279 1.00 15.07 C ATOM 356 C ALA A 137 4.334 10.573 4.923 1.00 15.29 C ATOM 357 O ALA A 137 3.444 10.973 4.149 1.00 17.16 O ATOM 358 CB ALA A 137 5.726 12.231 6.214 1.00 15.03 C ATOM 359 H ALA A 137 5.655 10.245 7.857 1.00 0.00 H ATOM 360 N PHE A 138 5.133 9.548 4.625 1.00 14.38 N ATOM 361 CA PHE A 138 4.909 8.790 3.396 1.00 14.45 C ATOM 362 C PHE A 138 3.540 8.110 3.387 1.00 15.72 C ATOM 363 O PHE A 138 2.854 8.078 2.360 1.00 16.01 O ATOM 364 CB PHE A 138 6.023 7.759 3.171 1.00 14.85 C ATOM 365 CG PHE A 138 7.246 8.333 2.523 1.00 14.09 C ATOM 366 CD1 PHE A 138 8.413 8.531 3.254 1.00 15.11 C ATOM 367 CD2 PHE A 138 7.220 8.701 1.181 1.00 14.93 C ATOM 368 CE1 PHE A 138 9.555 9.084 2.641 1.00 14.84 C ATOM 369 CE2 PHE A 138 8.342 9.264 0.560 1.00 14.83 C ATOM 370 CZ PHE A 138 9.516 9.435 1.285 1.00 14.86 C ATOM 371 H PHE A 138 5.912 9.289 5.264 1.00 0.00 H ATOM 372 N GLN A 139 3.145 7.581 4.538 1.00 15.69 N ATOM 373 CA GLN A 139 1.869 6.880 4.663 1.00 16.61 C ATOM 374 C GLN A 139 0.676 7.783 4.325 1.00 16.74 C ATOM 375 O GLN A 139 -0.312 7.328 3.750 1.00 16.92 O ATOM 376 CB GLN A 139 1.742 6.307 6.075 1.00 19.03 C ATOM 377 CG GLN A 139 0.522 5.446 6.329 1.00 23.21 C ATOM 378 CD GLN A 139 0.487 4.961 7.761 1.00 28.49 C ATOM 379 OE1 GLN A 139 0.182 5.726 8.677 1.00 31.78 O ATOM 380 NE2 GLN A 139 0.831 3.696 7.967 1.00 30.45 N ATOM 381 HE22 GLN A 139 1.081 3.087 7.162 1.00 0.00 H ATOM 382 HE21 GLN A 139 0.851 3.313 8.934 1.00 0.00 H ATOM 383 H GLN A 139 3.759 7.668 5.373 1.00 0.00 H ATOM 384 N VAL A 140 0.781 9.061 4.676 1.00 17.99 N ATOM 385 CA VAL A 140 -0.251 10.035 4.348 1.00 16.88 C ATOM 386 C VAL A 140 -0.585 10.004 2.852 1.00 16.48 C ATOM 387 O VAL A 140 -1.764 9.982 2.462 1.00 17.69 O ATOM 388 CB VAL A 140 0.201 11.452 4.784 1.00 17.57 C ATOM 389 CG1 VAL A 140 -0.661 12.526 4.170 1.00 18.08 C ATOM 390 CG2 VAL A 140 0.200 11.558 6.303 1.00 19.25 C ATOM 391 H VAL A 140 1.623 9.374 5.199 1.00 0.00 H ATOM 392 N TRP A 141 0.455 9.987 2.022 1.00 15.69 N ATOM 393 CA TRP A 141 0.281 10.024 0.573 1.00 15.12 C ATOM 394 C TRP A 141 -0.065 8.655 -0.007 1.00 15.84 C ATOM 395 O TRP A 141 -0.853 8.550 -0.946 1.00 16.81 O ATOM 396 CB TRP A 141 1.518 10.616 -0.108 1.00 15.17 C ATOM 397 CG TRP A 141 1.785 12.044 0.262 1.00 14.92 C ATOM 398 CD1 TRP A 141 2.829 12.515 1.009 1.00 14.70 C ATOM 399 CD2 TRP A 141 1.001 13.189 -0.105 1.00 14.82 C ATOM 400 NE1 TRP A 141 2.737 13.878 1.134 1.00 14.63 N ATOM 401 CE2 TRP A 141 1.623 14.316 0.462 1.00 14.41 C ATOM 402 CE3 TRP A 141 -0.173 13.366 -0.847 1.00 15.76 C ATOM 403 CZ2 TRP A 141 1.125 15.613 0.294 1.00 15.51 C ATOM 404 CZ3 TRP A 141 -0.680 14.657 -1.000 1.00 16.01 C ATOM 405 CH2 TRP A 141 -0.023 15.761 -0.433 1.00 15.65 C ATOM 406 HE1 TRP A 141 3.404 14.483 1.654 1.00 0.00 H ATOM 407 H TRP A 141 1.417 9.946 2.416 1.00 0.00 H ATOM 408 N SER A 142 0.515 7.599 0.555 1.00 16.13 N ATOM 409 CA SER A 142 0.189 6.262 0.074 1.00 15.77 C ATOM 410 C SER A 142 -1.279 5.931 0.338 1.00 16.56 C ATOM 411 O SER A 142 -1.880 5.177 -0.421 1.00 17.21 O ATOM 412 CB SER A 142 1.121 5.193 0.661 1.00 16.25 C ATOM 413 OG SER A 142 1.101 5.193 2.070 1.00 17.50 O ATOM 414 HG SER A 142 0.181 5.010 2.386 1.00 0.00 H ATOM 415 H SER A 142 1.196 7.726 1.331 1.00 0.00 H ATOM 416 N ASN A 143 -1.858 6.520 1.382 1.00 16.36 N ATOM 417 CA ASN A 143 -3.255 6.269 1.733 1.00 17.68 C ATOM 418 C ASN A 143 -4.269 6.696 0.683 1.00 16.80 C ATOM 419 O ASN A 143 -5.409 6.245 0.718 1.00 17.66 O ATOM 420 CB ASN A 143 -3.623 6.986 3.035 1.00 20.95 C ATOM 421 CG ASN A 143 -3.134 6.264 4.271 1.00 25.66 C ATOM 422 OD1 ASN A 143 -2.746 5.095 4.219 1.00 26.34 O ATOM 423 ND2 ASN A 143 -3.154 6.969 5.404 1.00 28.26 N ATOM 424 HD22 ASN A 143 -3.490 7.953 5.398 1.00 0.00 H ATOM 425 HD21 ASN A 143 -2.833 6.534 6.293 1.00 0.00 H ATOM 426 H ASN A 143 -1.301 7.177 1.964 1.00 0.00 H ATOM 427 N VAL A 144 -3.877 7.592 -0.220 1.00 15.88 N ATOM 428 CA VAL A 144 -4.825 8.138 -1.197 1.00 16.22 C ATOM 429 C VAL A 144 -4.364 7.976 -2.651 1.00 16.21 C ATOM 430 O VAL A 144 -4.912 8.614 -3.559 1.00 16.22 O ATOM 431 CB VAL A 144 -5.145 9.621 -0.903 1.00 17.13 C ATOM 432 CG1 VAL A 144 -5.789 9.760 0.476 1.00 17.83 C ATOM 433 CG2 VAL A 144 -3.876 10.461 -0.991 1.00 17.86 C ATOM 434 H VAL A 144 -2.886 7.909 -0.233 1.00 0.00 H ATOM 435 N THR A 145 -3.349 7.132 -2.864 1.00 16.74 N ATOM 436 CA THR A 145 -2.795 6.893 -4.198 1.00 16.42 C ATOM 437 C THR A 145 -2.426 5.419 -4.366 1.00 16.60 C ATOM 438 O THR A 145 -2.478 4.657 -3.399 1.00 17.16 O ATOM 439 CB THR A 145 -1.491 7.700 -4.416 1.00 17.67 C ATOM 440 OG1 THR A 145 -0.482 7.224 -3.520 1.00 16.94 O ATOM 441 CG2 THR A 145 -1.710 9.200 -4.225 1.00 18.42 C ATOM 442 HG1 THR A 145 -0.790 7.339 -2.586 1.00 0.00 H ATOM 443 H THR A 145 -2.938 6.627 -2.053 1.00 0.00 H ATOM 444 N PRO A 146 -2.037 5.008 -5.589 1.00 15.95 N ATOM 445 CA PRO A 146 -1.527 3.634 -5.738 1.00 15.80 C ATOM 446 C PRO A 146 -0.058 3.477 -5.321 1.00 16.26 C ATOM 447 O PRO A 146 0.518 2.393 -5.439 1.00 18.56 O ATOM 448 CB PRO A 146 -1.672 3.363 -7.240 1.00 17.18 C ATOM 449 CG PRO A 146 -1.740 4.691 -7.886 1.00 19.54 C ATOM 450 CD PRO A 146 -2.336 5.635 -6.894 1.00 17.11 C ATOM 451 N LEU A 147 0.546 4.550 -4.827 1.00 15.32 N ATOM 452 CA LEU A 147 1.975 4.530 -4.533 1.00 15.02 C ATOM 453 C LEU A 147 2.323 3.736 -3.289 1.00 14.92 C ATOM 454 O LEU A 147 1.625 3.799 -2.276 1.00 15.73 O ATOM 455 CB LEU A 147 2.501 5.953 -4.373 1.00 15.65 C ATOM 456 CG LEU A 147 2.290 6.838 -5.604 1.00 16.19 C ATOM 457 CD1 LEU A 147 2.882 8.219 -5.359 1.00 17.12 C ATOM 458 CD2 LEU A 147 2.890 6.199 -6.847 1.00 16.97 C ATOM 459 H LEU A 147 -0.005 5.414 -4.648 1.00 0.00 H ATOM 460 N LYS A 148 3.419 2.988 -3.365 1.00 15.26 N ATOM 461 CA LYS A 148 3.959 2.338 -2.177 1.00 16.59 C ATOM 462 C LYS A 148 5.376 2.793 -1.942 1.00 16.65 C ATOM 463 O LYS A 148 6.139 2.952 -2.891 1.00 17.33 O ATOM 464 CB LYS A 148 3.921 0.822 -2.324 1.00 17.67 C ATOM 465 CG LYS A 148 2.506 0.308 -2.397 1.00 18.56 C ATOM 466 CD LYS A 148 2.440 -1.189 -2.191 1.00 18.43 C ATOM 467 CE LYS A 148 0.999 -1.645 -2.146 1.00 18.79 C ATOM 468 NZ LYS A 148 0.917 -3.015 -1.639 1.00 18.45 N ATOM 469 HZ1 LYS A 148 1.455 -3.648 -2.265 1.00 0.00 H ATOM 470 HZ2 LYS A 148 1.316 -3.053 -0.679 1.00 0.00 H ATOM 471 HZ3 LYS A 148 -0.078 -3.315 -1.614 1.00 0.00 H ATOM 472 H LYS A 148 3.896 2.865 -4.281 1.00 0.00 H ATOM 473 N PHE A 149 5.712 2.992 -0.672 1.00 15.39 N ATOM 474 CA PHE A 149 7.022 3.487 -0.277 1.00 16.02 C ATOM 475 C PHE A 149 7.724 2.495 0.637 1.00 16.09 C ATOM 476 O PHE A 149 7.145 2.039 1.624 1.00 17.49 O ATOM 477 CB PHE A 149 6.878 4.832 0.433 1.00 16.04 C ATOM 478 CG PHE A 149 6.173 5.868 -0.385 1.00 15.51 C ATOM 479 CD1 PHE A 149 6.836 6.519 -1.419 1.00 15.97 C ATOM 480 CD2 PHE A 149 4.844 6.174 -0.145 1.00 15.84 C ATOM 481 CE1 PHE A 149 6.193 7.473 -2.185 1.00 16.90 C ATOM 482 CE2 PHE A 149 4.192 7.124 -0.911 1.00 15.89 C ATOM 483 CZ PHE A 149 4.867 7.774 -1.931 1.00 16.46 C ATOM 484 H PHE A 149 5.011 2.786 0.069 1.00 0.00 H ATOM 485 N SER A 150 8.974 2.170 0.306 1.00 15.30 N ATOM 486 CA SER A 150 9.797 1.299 1.135 1.00 15.55 C ATOM 487 C SER A 150 11.087 2.013 1.501 1.00 15.13 C ATOM 488 O SER A 150 11.755 2.588 0.641 1.00 15.71 O ATOM 489 CB SER A 150 10.146 -0.008 0.411 1.00 17.67 C ATOM 490 OG SER A 150 9.038 -0.889 0.349 1.00 18.78 O ATOM 491 HG SER A 150 8.743 -1.112 1.267 1.00 0.00 H ATOM 492 H SER A 150 9.376 2.551 -0.574 1.00 0.00 H ATOM 493 N LYS A 151 11.430 1.962 2.782 1.00 15.52 N ATOM 494 CA LYS A 151 12.688 2.509 3.264 1.00 15.75 C ATOM 495 C LYS A 151 13.807 1.525 2.974 1.00 15.18 C ATOM 496 O LYS A 151 13.663 0.324 3.240 1.00 17.10 O ATOM 497 CB LYS A 151 12.604 2.736 4.771 1.00 17.65 C ATOM 498 CG LYS A 151 13.866 3.307 5.409 1.00 18.19 C ATOM 499 CD LYS A 151 13.623 3.556 6.894 1.00 20.29 C ATOM 500 CE LYS A 151 14.843 4.118 7.604 1.00 22.18 C ATOM 501 NZ LYS A 151 15.918 3.093 7.695 1.00 23.41 N ATOM 502 HZ1 LYS A 151 15.568 2.271 8.227 1.00 0.00 H ATOM 503 HZ2 LYS A 151 16.193 2.795 6.737 1.00 0.00 H ATOM 504 HZ3 LYS A 151 16.742 3.499 8.184 1.00 0.00 H ATOM 505 H LYS A 151 10.780 1.518 3.461 1.00 0.00 H ATOM 506 N ILE A 152 14.915 2.027 2.429 1.00 14.14 N ATOM 507 CA ILE A 152 16.115 1.200 2.250 1.00 14.87 C ATOM 508 C ILE A 152 17.296 1.889 2.927 1.00 16.22 C ATOM 509 O ILE A 152 17.297 3.113 3.066 1.00 16.59 O ATOM 510 CB ILE A 152 16.412 0.924 0.757 1.00 15.42 C ATOM 511 CG1 ILE A 152 16.823 2.205 0.021 1.00 15.29 C ATOM 512 CG2 ILE A 152 15.215 0.253 0.087 1.00 16.45 C ATOM 513 CD1 ILE A 152 17.146 2.001 -1.440 1.00 16.49 C ATOM 514 H ILE A 152 14.930 3.022 2.125 1.00 0.00 H ATOM 515 N ASN A 153 18.289 1.108 3.353 1.00 17.95 N ATOM 516 CA ASN A 153 19.460 1.656 4.031 1.00 21.31 C ATOM 517 C ASN A 153 20.683 1.633 3.129 1.00 24.13 C ATOM 518 O ASN A 153 21.671 2.331 3.375 1.00 25.42 O ATOM 519 CB ASN A 153 19.734 0.887 5.326 1.00 23.47 C ATOM 520 CG ASN A 153 18.567 0.946 6.287 1.00 26.64 C ATOM 521 OD1 ASN A 153 17.881 1.963 6.373 1.00 27.38 O ATOM 522 ND2 ASN A 153 18.316 -0.149 6.996 1.00 28.66 N ATOM 523 HD22 ASN A 153 18.923 -0.987 6.891 1.00 0.00 H ATOM 524 HD21 ASN A 153 17.512 -0.168 7.656 1.00 0.00 H ATOM 525 H ASN A 153 18.228 0.081 3.198 1.00 0.00 H ATOM 526 N THR A 154 20.596 0.823 2.078 1.00 24.55 N ATOM 527 CA THR A 154 21.662 0.694 1.098 1.00 25.44 C ATOM 528 C THR A 154 21.027 0.541 -0.276 1.00 25.32 C ATOM 529 O THR A 154 19.894 0.062 -0.397 1.00 25.99 O ATOM 530 CB THR A 154 22.558 -0.531 1.391 1.00 26.28 C ATOM 531 OG1 THR A 154 23.619 -0.596 0.430 1.00 25.87 O ATOM 532 CG2 THR A 154 21.754 -1.802 1.306 1.00 27.15 C ATOM 533 HG1 THR A 154 24.189 -1.382 0.622 1.00 0.00 H ATOM 534 H THR A 154 19.731 0.259 1.952 1.00 0.00 H ATOM 535 N GLY A 155 21.743 0.964 -1.310 1.00 24.46 N ATOM 536 CA GLY A 155 21.220 0.875 -2.656 1.00 22.48 C ATOM 537 C GLY A 155 20.901 2.245 -3.205 1.00 21.14 C ATOM 538 O GLY A 155 21.383 3.265 -2.689 1.00 23.13 O ATOM 539 H GLY A 155 22.690 1.364 -1.151 1.00 0.00 H ATOM 540 N MET A 156 20.062 2.269 -4.233 1.00 20.61 N ATOM 541 CA MET A 156 19.765 3.487 -4.974 1.00 20.68 C ATOM 542 C MET A 156 18.319 3.923 -4.740 1.00 18.72 C ATOM 543 O MET A 156 17.419 3.542 -5.494 1.00 18.97 O ATOM 544 CB MET A 156 20.009 3.227 -6.462 1.00 22.65 C ATOM 545 CG MET A 156 19.917 4.442 -7.357 1.00 24.79 C ATOM 546 SD MET A 156 20.958 5.796 -6.793 1.00 26.95 S ATOM 547 CE MET A 156 19.690 6.993 -6.425 1.00 27.02 C ATOM 548 H MET A 156 19.599 1.383 -4.521 1.00 0.00 H ATOM 549 N ALA A 157 18.091 4.721 -3.698 1.00 16.93 N ATOM 550 CA ALA A 157 16.732 5.145 -3.369 1.00 15.85 C ATOM 551 C ALA A 157 16.258 6.233 -4.320 1.00 16.54 C ATOM 552 O ALA A 157 17.061 7.005 -4.849 1.00 18.62 O ATOM 553 CB ALA A 157 16.649 5.622 -1.932 1.00 17.05 C ATOM 554 H ALA A 157 18.888 5.045 -3.113 1.00 0.00 H ATOM 555 N ASP A 158 14.947 6.310 -4.527 1.00 15.40 N ATOM 556 CA ASP A 158 14.398 7.386 -5.341 1.00 14.76 C ATOM 557 C ASP A 158 14.418 8.702 -4.590 1.00 14.39 C ATOM 558 O ASP A 158 14.846 9.727 -5.138 1.00 15.07 O ATOM 559 CB ASP A 158 12.964 7.059 -5.747 1.00 14.71 C ATOM 560 CG ASP A 158 12.890 5.814 -6.595 1.00 15.91 C ATOM 561 OD1 ASP A 158 12.259 4.820 -6.167 1.00 17.31 O ATOM 562 OD2 ASP A 158 13.489 5.818 -7.692 1.00 17.26 O ATOM 563 H ASP A 158 14.313 5.601 -4.107 1.00 0.00 H ATOM 564 N ILE A 159 13.958 8.672 -3.342 1.00 14.37 N ATOM 565 CA ILE A 159 13.827 9.883 -2.536 1.00 13.90 C ATOM 566 C ILE A 159 14.826 9.837 -1.388 1.00 14.21 C ATOM 567 O ILE A 159 14.714 9.019 -0.468 1.00 15.40 O ATOM 568 CB ILE A 159 12.385 10.052 -1.994 1.00 13.45 C ATOM 569 CG1 ILE A 159 11.407 10.231 -3.160 1.00 14.23 C ATOM 570 CG2 ILE A 159 12.305 11.218 -0.993 1.00 14.15 C ATOM 571 CD1 ILE A 159 9.934 10.146 -2.756 1.00 14.54 C ATOM 572 H ILE A 159 13.683 7.758 -2.928 1.00 0.00 H ATOM 573 N LEU A 160 15.802 10.737 -1.429 1.00 14.61 N ATOM 574 CA LEU A 160 16.785 10.839 -0.361 1.00 15.59 C ATOM 575 C LEU A 160 16.404 11.940 0.636 1.00 14.88 C ATOM 576 O LEU A 160 16.226 13.097 0.256 1.00 15.36 O ATOM 577 CB LEU A 160 18.154 11.122 -0.964 1.00 18.27 C ATOM 578 CG LEU A 160 19.351 10.823 -0.087 1.00 19.76 C ATOM 579 CD1 LEU A 160 19.372 9.344 0.250 1.00 20.03 C ATOM 580 CD2 LEU A 160 20.613 11.224 -0.819 1.00 19.79 C ATOM 581 H LEU A 160 15.865 11.383 -2.242 1.00 0.00 H ATOM 582 N VAL A 161 16.253 11.560 1.903 1.00 14.43 N ATOM 583 CA VAL A 161 15.891 12.506 2.960 1.00 14.74 C ATOM 584 C VAL A 161 17.184 12.991 3.627 1.00 14.30 C ATOM 585 O VAL A 161 17.972 12.184 4.132 1.00 15.28 O ATOM 586 CB VAL A 161 14.947 11.851 4.001 1.00 15.99 C ATOM 587 CG1 VAL A 161 14.740 12.773 5.202 1.00 17.34 C ATOM 588 CG2 VAL A 161 13.609 11.482 3.357 1.00 17.17 C ATOM 589 H VAL A 161 16.397 10.560 2.150 1.00 0.00 H ATOM 590 N VAL A 162 17.399 14.306 3.614 1.00 14.44 N ATOM 591 CA VAL A 162 18.676 14.894 4.010 1.00 14.80 C ATOM 592 C VAL A 162 18.418 16.034 4.983 1.00 14.29 C ATOM 593 O VAL A 162 17.501 16.829 4.761 1.00 15.32 O ATOM 594 CB VAL A 162 19.395 15.493 2.777 1.00 15.42 C ATOM 595 CG1 VAL A 162 20.677 16.206 3.184 1.00 17.13 C ATOM 596 CG2 VAL A 162 19.683 14.426 1.737 1.00 15.73 C ATOM 597 H VAL A 162 16.630 14.937 3.311 1.00 0.00 H ATOM 598 N PHE A 163 19.196 16.098 6.063 1.00 13.97 N ATOM 599 CA PHE A 163 19.293 17.293 6.903 1.00 13.72 C ATOM 600 C PHE A 163 20.611 18.002 6.581 1.00 14.97 C ATOM 601 O PHE A 163 21.687 17.401 6.659 1.00 16.44 O ATOM 602 CB PHE A 163 19.225 16.936 8.397 1.00 14.31 C ATOM 603 CG PHE A 163 17.901 16.351 8.822 1.00 15.12 C ATOM 604 CD1 PHE A 163 17.667 14.982 8.725 1.00 15.80 C ATOM 605 CD2 PHE A 163 16.892 17.173 9.313 1.00 15.67 C ATOM 606 CE1 PHE A 163 16.447 14.437 9.112 1.00 16.64 C ATOM 607 CE2 PHE A 163 15.660 16.636 9.702 1.00 16.05 C ATOM 608 CZ PHE A 163 15.443 15.269 9.598 1.00 16.43 C ATOM 609 H PHE A 163 19.759 15.262 6.320 1.00 0.00 H ATOM 610 N ALA A 164 20.531 19.269 6.188 1.00 15.11 N ATOM 611 CA ALA A 164 21.739 20.003 5.829 1.00 15.76 C ATOM 612 C ALA A 164 21.606 21.460 6.205 1.00 15.72 C ATOM 613 O ALA A 164 20.518 21.927 6.559 1.00 15.48 O ATOM 614 CB ALA A 164 22.044 19.848 4.347 1.00 16.94 C ATOM 615 H ALA A 164 19.604 19.738 6.136 1.00 0.00 H ATOM 616 N ARG A 165 22.713 22.181 6.082 1.00 15.78 N ATOM 617 CA ARG A 165 22.812 23.549 6.575 1.00 16.22 C ATOM 618 C ARG A 165 23.236 24.506 5.459 1.00 15.82 C ATOM 619 O ARG A 165 24.078 24.157 4.636 1.00 15.91 O ATOM 620 CB ARG A 165 23.855 23.571 7.697 1.00 18.17 C ATOM 621 CG ARG A 165 24.080 24.903 8.365 1.00 19.04 C ATOM 622 CD ARG A 165 25.339 24.835 9.240 1.00 18.31 C ATOM 623 NE ARG A 165 26.554 24.652 8.440 1.00 19.20 N ATOM 624 CZ ARG A 165 27.422 23.657 8.603 1.00 20.38 C ATOM 625 NH1 ARG A 165 28.489 23.574 7.816 1.00 20.59 N ATOM 626 NH2 ARG A 165 27.235 22.748 9.557 1.00 20.86 N ATOM 627 HE ARG A 165 26.751 25.348 7.693 1.00 0.00 H ATOM 628 HH12 ARG A 165 29.169 22.797 7.942 1.00 0.00 H ATOM 629 HH11 ARG A 165 28.645 24.286 7.074 1.00 0.00 H ATOM 630 HH22 ARG A 165 27.918 21.973 9.678 1.00 0.00 H ATOM 631 HH21 ARG A 165 26.406 22.813 10.181 1.00 0.00 H ATOM 632 H ARG A 165 23.540 21.755 5.617 1.00 0.00 H ATOM 633 N GLY A 166 22.656 25.708 5.433 1.00 15.69 N ATOM 634 CA GLY A 166 23.098 26.754 4.513 1.00 17.03 C ATOM 635 C GLY A 166 23.282 26.322 3.071 1.00 16.85 C ATOM 636 O GLY A 166 22.383 25.718 2.481 1.00 16.36 O ATOM 637 H GLY A 166 21.869 25.905 6.084 1.00 0.00 H ATOM 638 N ALA A 167 24.453 26.617 2.515 1.00 16.14 N ATOM 639 CA ALA A 167 24.795 26.187 1.165 1.00 15.44 C ATOM 640 C ALA A 167 25.215 24.722 1.254 1.00 15.41 C ATOM 641 O ALA A 167 26.243 24.395 1.845 1.00 15.88 O ATOM 642 CB ALA A 167 25.933 27.039 0.613 1.00 16.93 C ATOM 643 H ALA A 167 25.145 27.171 3.059 1.00 0.00 H ATOM 644 N HIS A 168 24.414 23.838 0.665 1.00 15.28 N ATOM 645 CA HIS A 168 24.587 22.403 0.879 1.00 15.72 C ATOM 646 C HIS A 168 24.599 21.609 -0.427 1.00 17.31 C ATOM 647 O HIS A 168 24.195 20.439 -0.460 1.00 17.71 O ATOM 648 CB HIS A 168 23.492 21.890 1.820 1.00 15.00 C ATOM 649 CG HIS A 168 22.106 22.124 1.303 1.00 14.31 C ATOM 650 ND1 HIS A 168 21.431 23.320 1.493 1.00 14.42 N ATOM 651 CD2 HIS A 168 21.285 21.340 0.577 1.00 15.33 C ATOM 652 CE1 HIS A 168 20.246 23.237 0.920 1.00 14.48 C ATOM 653 NE2 HIS A 168 20.132 22.055 0.339 1.00 14.53 N ATOM 654 H HIS A 168 23.652 24.174 0.042 1.00 0.00 H ATOM 655 N GLY A 169 25.066 22.239 -1.501 1.00 17.15 N ATOM 656 CA GLY A 169 25.391 21.499 -2.708 1.00 18.01 C ATOM 657 C GLY A 169 24.444 21.625 -3.879 1.00 18.49 C ATOM 658 O GLY A 169 24.695 21.044 -4.941 1.00 20.90 O ATOM 659 H GLY A 169 25.200 23.270 -1.477 1.00 0.00 H ATOM 660 N ASP A 170 23.361 22.378 -3.695 1.00 18.49 N ATOM 661 CA ASP A 170 22.397 22.606 -4.772 1.00 19.86 C ATOM 662 C ASP A 170 22.137 24.109 -4.940 1.00 21.26 C ATOM 663 O ASP A 170 22.800 24.931 -4.300 1.00 23.07 O ATOM 664 CB ASP A 170 21.102 21.786 -4.558 1.00 18.43 C ATOM 665 CG ASP A 170 20.403 22.093 -3.226 1.00 16.73 C ATOM 666 OD1 ASP A 170 19.645 21.225 -2.708 1.00 16.78 O ATOM 667 OD2 ASP A 170 20.567 23.217 -2.714 1.00 17.86 O ATOM 668 H ASP A 170 23.197 22.814 -2.765 1.00 0.00 H ATOM 669 N ASP A 171 21.192 24.487 -5.788 1.00 22.81 N ATOM 670 CA ASP A 171 20.970 25.911 -6.013 1.00 24.04 C ATOM 671 C ASP A 171 19.844 26.439 -5.138 1.00 23.40 C ATOM 672 O ASP A 171 19.180 27.427 -5.474 1.00 25.20 O ATOM 673 CB ASP A 171 20.720 26.191 -7.494 1.00 26.83 C ATOM 674 CG ASP A 171 21.913 25.829 -8.358 1.00 27.56 C ATOM 675 OD1 ASP A 171 23.044 25.792 -7.825 1.00 28.52 O ATOM 676 OD2 ASP A 171 21.714 25.582 -9.567 1.00 27.70 O ATOM 677 H ASP A 171 20.616 23.778 -6.286 1.00 0.00 H ATOM 678 N HIS A 172 19.654 25.790 -3.996 1.00 21.27 N ATOM 679 CA HIS A 172 18.586 26.160 -3.080 1.00 20.52 C ATOM 680 C HIS A 172 19.135 26.263 -1.665 1.00 17.89 C ATOM 681 O HIS A 172 18.673 25.574 -0.749 1.00 18.92 O ATOM 682 CB HIS A 172 17.454 25.130 -3.134 1.00 22.59 C ATOM 683 CG HIS A 172 16.874 24.937 -4.502 1.00 24.78 C ATOM 684 ND1 HIS A 172 15.661 25.470 -4.878 1.00 26.21 N ATOM 685 CD2 HIS A 172 17.342 24.270 -5.584 1.00 25.78 C ATOM 686 CE1 HIS A 172 15.403 25.136 -6.131 1.00 26.59 C ATOM 687 NE2 HIS A 172 16.409 24.409 -6.583 1.00 26.90 N ATOM 688 H HIS A 172 20.283 24.999 -3.750 1.00 0.00 H ATOM 689 N ALA A 173 20.115 27.148 -1.487 1.00 17.02 N ATOM 690 CA ALA A 173 20.750 27.326 -0.190 1.00 16.78 C ATOM 691 C ALA A 173 19.752 27.711 0.901 1.00 16.03 C ATOM 692 O ALA A 173 18.791 28.460 0.658 1.00 17.72 O ATOM 693 CB ALA A 173 21.854 28.367 -0.283 1.00 17.37 C ATOM 694 H ALA A 173 20.433 27.724 -2.292 1.00 0.00 H ATOM 695 N PHE A 174 19.983 27.202 2.106 1.00 15.65 N ATOM 696 CA PHE A 174 19.155 27.551 3.257 1.00 15.96 C ATOM 697 C PHE A 174 19.609 28.880 3.872 1.00 16.38 C ATOM 698 O PHE A 174 20.637 29.460 3.472 1.00 17.31 O ATOM 699 CB PHE A 174 19.181 26.424 4.297 1.00 14.78 C ATOM 700 CG PHE A 174 18.420 25.184 3.890 1.00 15.09 C ATOM 701 CD1 PHE A 174 18.959 23.923 4.118 1.00 15.84 C ATOM 702 CD2 PHE A 174 17.160 25.279 3.303 1.00 16.40 C ATOM 703 CE1 PHE A 174 18.258 22.770 3.765 1.00 16.29 C ATOM 704 CE2 PHE A 174 16.449 24.131 2.946 1.00 16.65 C ATOM 705 CZ PHE A 174 16.998 22.873 3.181 1.00 15.83 C ATOM 706 H PHE A 174 20.773 26.538 2.233 1.00 0.00 H ATOM 707 N ASP A 175 18.862 29.344 4.868 1.00 15.73 N ATOM 708 CA ASP A 175 18.975 30.720 5.335 1.00 17.28 C ATOM 709 C ASP A 175 19.126 30.831 6.850 1.00 17.61 C ATOM 710 O ASP A 175 18.859 31.888 7.418 1.00 19.25 O ATOM 711 CB ASP A 175 17.727 31.506 4.902 1.00 17.28 C ATOM 712 CG ASP A 175 16.427 30.822 5.315 1.00 17.36 C ATOM 713 OD1 ASP A 175 15.348 31.350 4.960 1.00 18.28 O ATOM 714 OD2 ASP A 175 16.475 29.758 5.978 1.00 16.59 O ATOM 715 H ASP A 175 18.178 28.708 5.327 1.00 0.00 H ATOM 716 N GLY A 176 19.565 29.760 7.507 1.00 17.43 N ATOM 717 CA GLY A 176 19.692 29.788 8.957 1.00 17.21 C ATOM 718 C GLY A 176 18.353 29.561 9.634 1.00 17.62 C ATOM 719 O GLY A 176 17.378 29.161 8.978 1.00 17.81 O ATOM 720 H GLY A 176 19.819 28.899 6.982 1.00 0.00 H ATOM 721 N LYS A 177 18.287 29.794 10.941 1.00 17.67 N ATOM 722 CA LYS A 177 17.051 29.521 11.669 1.00 17.99 C ATOM 723 C LYS A 177 15.907 30.409 11.192 1.00 18.58 C ATOM 724 O LYS A 177 16.065 31.617 11.020 1.00 18.81 O ATOM 725 CB LYS A 177 17.243 29.652 13.181 1.00 18.20 C ATOM 726 CG LYS A 177 16.056 29.117 13.977 1.00 18.32 C ATOM 727 CD LYS A 177 16.360 29.042 15.465 1.00 18.49 C ATOM 728 CE LYS A 177 15.229 28.375 16.243 1.00 18.44 C ATOM 729 NZ LYS A 177 15.342 26.886 16.265 1.00 18.43 N ATOM 730 HZ1 LYS A 177 15.316 26.523 15.291 1.00 0.00 H ATOM 731 HZ2 LYS A 177 16.240 26.614 16.713 1.00 0.00 H ATOM 732 HZ3 LYS A 177 14.549 26.487 16.806 1.00 0.00 H ATOM 733 H LYS A 177 19.115 30.171 11.445 1.00 0.00 H ATOM 734 N GLY A 178 14.757 29.786 10.962 1.00 19.26 N ATOM 735 CA GLY A 178 13.579 30.490 10.493 1.00 19.40 C ATOM 736 C GLY A 178 13.571 30.574 8.981 1.00 19.16 C ATOM 737 O GLY A 178 14.343 29.885 8.313 1.00 19.10 O ATOM 738 H GLY A 178 14.699 28.760 11.123 1.00 0.00 H ATOM 739 N GLY A 179 12.708 31.419 8.430 1.00 19.00 N ATOM 740 CA GLY A 179 12.624 31.547 6.987 1.00 18.45 C ATOM 741 C GLY A 179 12.251 30.218 6.365 1.00 17.49 C ATOM 742 O GLY A 179 11.307 29.567 6.812 1.00 19.21 O ATOM 743 H GLY A 179 12.088 31.993 9.037 1.00 0.00 H ATOM 744 N ILE A 180 12.989 29.799 5.341 1.00 15.82 N ATOM 745 CA ILE A 180 12.693 28.515 4.716 1.00 16.20 C ATOM 746 C ILE A 180 13.131 27.358 5.613 1.00 15.91 C ATOM 747 O ILE A 180 14.232 27.362 6.177 1.00 17.07 O ATOM 748 CB ILE A 180 13.266 28.398 3.289 1.00 18.86 C ATOM 749 CG1 ILE A 180 12.742 27.128 2.613 1.00 20.22 C ATOM 750 CG2 ILE A 180 14.784 28.433 3.288 1.00 20.91 C ATOM 751 CD1 ILE A 180 12.903 27.124 1.110 1.00 21.76 C ATOM 752 H ILE A 180 13.773 30.384 4.988 1.00 0.00 H ATOM 753 N LEU A 181 12.237 26.388 5.760 1.00 15.33 N ATOM 754 CA LEU A 181 12.437 25.273 6.681 1.00 14.65 C ATOM 755 C LEU A 181 12.972 24.030 5.984 1.00 14.70 C ATOM 756 O LEU A 181 13.657 23.205 6.599 1.00 15.09 O ATOM 757 CB LEU A 181 11.107 24.927 7.362 1.00 16.54 C ATOM 758 CG LEU A 181 10.391 26.079 8.069 1.00 18.70 C ATOM 759 CD1 LEU A 181 8.950 25.719 8.428 1.00 20.18 C ATOM 760 CD2 LEU A 181 11.167 26.481 9.307 1.00 19.95 C ATOM 761 H LEU A 181 11.362 26.424 5.199 1.00 0.00 H ATOM 762 N ALA A 182 12.638 23.895 4.703 1.00 14.91 N ATOM 763 CA ALA A 182 12.927 22.688 3.933 1.00 14.29 C ATOM 764 C ALA A 182 12.574 22.949 2.475 1.00 14.15 C ATOM 765 O ALA A 182 11.837 23.890 2.175 1.00 15.13 O ATOM 766 CB ALA A 182 12.110 21.510 4.471 1.00 15.09 C ATOM 767 H ALA A 182 12.150 24.682 4.230 1.00 0.00 H ATOM 768 N HIS A 183 13.093 22.128 1.571 1.00 13.56 N ATOM 769 CA HIS A 183 12.728 22.218 0.160 1.00 14.48 C ATOM 770 C HIS A 183 12.860 20.824 -0.448 1.00 14.62 C ATOM 771 O HIS A 183 13.522 19.954 0.124 1.00 16.53 O ATOM 772 CB HIS A 183 13.580 23.257 -0.593 1.00 15.52 C ATOM 773 CG HIS A 183 14.934 22.758 -1.014 1.00 16.35 C ATOM 774 ND1 HIS A 183 15.204 22.356 -2.303 1.00 17.09 N ATOM 775 CD2 HIS A 183 16.089 22.592 -0.320 1.00 16.96 C ATOM 776 CE1 HIS A 183 16.464 21.956 -2.387 1.00 17.70 C ATOM 777 NE2 HIS A 183 17.024 22.101 -1.200 1.00 17.30 N ATOM 778 H HIS A 183 13.775 21.404 1.874 1.00 0.00 H ATOM 779 N ALA A 184 12.259 20.611 -1.610 1.00 15.08 N ATOM 780 CA ALA A 184 12.328 19.290 -2.241 1.00 14.24 C ATOM 781 C ALA A 184 12.277 19.402 -3.756 1.00 15.30 C ATOM 782 O ALA A 184 11.707 20.358 -4.307 1.00 17.16 O ATOM 783 CB ALA A 184 11.203 18.380 -1.730 1.00 15.05 C ATOM 784 H ALA A 184 11.738 21.382 -2.074 1.00 0.00 H ATOM 785 N PHE A 185 12.867 18.414 -4.423 1.00 16.04 N ATOM 786 CA PHE A 185 12.886 18.360 -5.878 1.00 16.28 C ATOM 787 C PHE A 185 11.786 17.447 -6.388 1.00 16.24 C ATOM 788 O PHE A 185 11.516 16.396 -5.791 1.00 17.07 O ATOM 789 CB PHE A 185 14.231 17.822 -6.376 1.00 17.42 C ATOM 790 CG PHE A 185 15.399 18.684 -6.022 1.00 18.62 C ATOM 791 CD1 PHE A 185 15.813 19.692 -6.879 1.00 19.81 C ATOM 792 CD2 PHE A 185 16.091 18.487 -4.834 1.00 19.63 C ATOM 793 CE1 PHE A 185 16.896 20.484 -6.559 1.00 19.97 C ATOM 794 CE2 PHE A 185 17.175 19.277 -4.508 1.00 21.05 C ATOM 795 CZ PHE A 185 17.576 20.274 -5.369 1.00 20.85 C ATOM 796 H PHE A 185 13.331 17.653 -3.887 1.00 0.00 H ATOM 797 N GLY A 186 11.170 17.828 -7.504 1.00 16.32 N ATOM 798 CA GLY A 186 10.166 16.988 -8.143 1.00 16.34 C ATOM 799 C GLY A 186 10.786 15.727 -8.719 1.00 16.36 C ATOM 800 O GLY A 186 12.017 15.625 -8.821 1.00 16.49 O ATOM 801 H GLY A 186 11.411 18.746 -7.930 1.00 0.00 H ATOM 802 N PRO A 187 9.943 14.755 -9.095 1.00 18.03 N ATOM 803 CA PRO A 187 10.384 13.460 -9.627 1.00 18.53 C ATOM 804 C PRO A 187 11.424 13.561 -10.739 1.00 19.64 C ATOM 805 O PRO A 187 11.334 14.427 -11.616 1.00 20.26 O ATOM 806 CB PRO A 187 9.089 12.853 -10.165 1.00 19.65 C ATOM 807 CG PRO A 187 8.038 13.391 -9.246 1.00 20.03 C ATOM 808 CD PRO A 187 8.477 14.814 -8.954 1.00 19.70 C ATOM 809 N GLY A 188 12.397 12.658 -10.698 1.00 19.92 N ATOM 810 CA GLY A 188 13.474 12.631 -11.669 1.00 21.04 C ATOM 811 C GLY A 188 14.620 11.831 -11.086 1.00 20.65 C ATOM 812 O GLY A 188 14.613 11.511 -9.892 1.00 19.85 O ATOM 813 H GLY A 188 12.386 11.944 -9.942 1.00 0.00 H ATOM 814 N SER A 189 15.615 11.511 -11.904 1.00 21.82 N ATOM 815 CA SER A 189 16.781 10.760 -11.447 1.00 22.22 C ATOM 816 C SER A 189 17.695 11.623 -10.582 1.00 22.33 C ATOM 817 O SER A 189 17.561 12.858 -10.559 1.00 22.39 O ATOM 818 CB SER A 189 17.574 10.245 -12.644 1.00 22.34 C ATOM 819 OG SER A 189 18.162 11.324 -13.350 1.00 22.45 O ATOM 820 HG SER A 189 18.672 10.973 -14.122 1.00 0.00 H ATOM 821 H SER A 189 15.563 11.804 -12.901 1.00 0.00 H ATOM 822 N GLY A 190 18.630 10.976 -9.885 1.00 21.98 N ATOM 823 CA GLY A 190 19.597 11.677 -9.053 1.00 20.55 C ATOM 824 C GLY A 190 18.969 12.521 -7.957 1.00 19.95 C ATOM 825 O GLY A 190 18.253 12.011 -7.088 1.00 19.72 O ATOM 826 H GLY A 190 18.669 9.938 -9.938 1.00 0.00 H ATOM 827 N ILE A 191 19.239 13.824 -7.997 1.00 20.75 N ATOM 828 CA ILE A 191 18.709 14.751 -7.005 1.00 20.46 C ATOM 829 C ILE A 191 17.179 14.845 -7.073 1.00 18.80 C ATOM 830 O ILE A 191 16.529 15.248 -6.099 1.00 17.88 O ATOM 831 CB ILE A 191 19.359 16.152 -7.147 1.00 23.82 C ATOM 832 CG1 ILE A 191 19.178 16.948 -5.865 1.00 27.27 C ATOM 833 CG2 ILE A 191 18.812 16.896 -8.356 1.00 24.11 C ATOM 834 CD1 ILE A 191 19.912 16.347 -4.706 1.00 28.94 C ATOM 835 H ILE A 191 19.846 14.191 -8.758 1.00 0.00 H ATOM 836 N GLY A 192 16.610 14.460 -8.215 1.00 18.05 N ATOM 837 CA GLY A 192 15.165 14.439 -8.374 1.00 17.81 C ATOM 838 C GLY A 192 14.513 13.669 -7.242 1.00 16.61 C ATOM 839 O GLY A 192 15.023 12.626 -6.816 1.00 16.60 O ATOM 840 H GLY A 192 17.213 14.168 -9.010 1.00 0.00 H ATOM 841 N GLY A 193 13.402 14.193 -6.731 1.00 16.31 N ATOM 842 CA GLY A 193 12.700 13.549 -5.635 1.00 15.11 C ATOM 843 C GLY A 193 13.237 13.842 -4.242 1.00 15.35 C ATOM 844 O GLY A 193 12.527 13.653 -3.250 1.00 15.71 O ATOM 845 H GLY A 193 13.029 15.081 -7.124 1.00 0.00 H ATOM 846 N ASP A 194 14.486 14.291 -4.139 1.00 14.98 N ATOM 847 CA ASP A 194 15.103 14.386 -2.818 1.00 14.00 C ATOM 848 C ASP A 194 14.487 15.504 -1.963 1.00 14.39 C ATOM 849 O ASP A 194 14.061 16.543 -2.486 1.00 16.39 O ATOM 850 CB ASP A 194 16.620 14.556 -2.938 1.00 14.68 C ATOM 851 CG ASP A 194 17.300 13.368 -3.602 1.00 16.19 C ATOM 852 OD1 ASP A 194 18.542 13.414 -3.748 1.00 17.68 O ATOM 853 OD2 ASP A 194 16.606 12.385 -3.956 1.00 15.99 O ATOM 854 H ASP A 194 15.016 14.571 -4.989 1.00 0.00 H ATOM 855 N ALA A 195 14.434 15.277 -0.653 1.00 14.54 N ATOM 856 CA ALA A 195 13.830 16.223 0.287 1.00 13.99 C ATOM 857 C ALA A 195 14.882 16.664 1.297 1.00 14.38 C ATOM 858 O ALA A 195 15.484 15.835 1.990 1.00 15.58 O ATOM 859 CB ALA A 195 12.634 15.582 0.997 1.00 14.80 C ATOM 860 H ALA A 195 14.837 14.393 -0.282 1.00 0.00 H ATOM 861 N HIS A 196 15.094 17.973 1.376 1.00 13.94 N ATOM 862 CA HIS A 196 16.144 18.550 2.202 1.00 14.43 C ATOM 863 C HIS A 196 15.540 19.386 3.314 1.00 14.51 C ATOM 864 O HIS A 196 14.696 20.244 3.066 1.00 15.51 O ATOM 865 CB HIS A 196 17.053 19.441 1.354 1.00 15.24 C ATOM 866 CG HIS A 196 17.842 18.693 0.330 1.00 15.48 C ATOM 867 ND1 HIS A 196 18.653 19.330 -0.585 1.00 15.05 N ATOM 868 CD2 HIS A 196 17.965 17.365 0.085 1.00 14.80 C ATOM 869 CE1 HIS A 196 19.229 18.427 -1.361 1.00 15.60 C ATOM 870 NE2 HIS A 196 18.828 17.225 -0.973 1.00 15.11 N ATOM 871 H HIS A 196 14.485 18.611 0.825 1.00 0.00 H ATOM 872 N PHE A 197 16.018 19.163 4.530 1.00 14.02 N ATOM 873 CA PHE A 197 15.504 19.850 5.707 1.00 13.94 C ATOM 874 C PHE A 197 16.621 20.680 6.328 1.00 13.88 C ATOM 875 O PHE A 197 17.734 20.189 6.522 1.00 14.69 O ATOM 876 CB PHE A 197 14.953 18.827 6.718 1.00 14.83 C ATOM 877 CG PHE A 197 13.814 17.999 6.175 1.00 14.40 C ATOM 878 CD1 PHE A 197 12.493 18.312 6.488 1.00 15.06 C ATOM 879 CD2 PHE A 197 14.057 16.920 5.335 1.00 15.09 C ATOM 880 CE1 PHE A 197 11.428 17.557 5.976 1.00 15.67 C ATOM 881 CE2 PHE A 197 13.004 16.164 4.823 1.00 14.72 C ATOM 882 CZ PHE A 197 11.684 16.485 5.140 1.00 15.90 C ATOM 883 H PHE A 197 16.787 18.473 4.648 1.00 0.00 H ATOM 884 N ASP A 198 16.317 21.938 6.629 1.00 13.26 N ATOM 885 CA ASP A 198 17.293 22.883 7.158 1.00 14.12 C ATOM 886 C ASP A 198 17.660 22.535 8.604 1.00 14.22 C ATOM 887 O ASP A 198 16.825 22.648 9.524 1.00 15.56 O ATOM 888 CB ASP A 198 16.701 24.304 7.076 1.00 14.87 C ATOM 889 CG ASP A 198 17.707 25.390 7.386 1.00 15.51 C ATOM 890 OD1 ASP A 198 17.379 26.570 7.117 1.00 15.68 O ATOM 891 OD2 ASP A 198 18.808 25.088 7.899 1.00 16.30 O ATOM 892 H ASP A 198 15.340 22.263 6.481 1.00 0.00 H ATOM 893 N GLU A 199 18.907 22.114 8.819 1.00 15.17 N ATOM 894 CA GLU A 199 19.322 21.720 10.160 1.00 16.00 C ATOM 895 C GLU A 199 19.336 22.897 11.140 1.00 16.05 C ATOM 896 O GLU A 199 19.345 22.703 12.356 1.00 17.02 O ATOM 897 CB GLU A 199 20.680 21.008 10.132 1.00 16.38 C ATOM 898 CG GLU A 199 21.069 20.404 11.475 1.00 17.07 C ATOM 899 CD GLU A 199 20.055 19.381 11.958 1.00 18.15 C ATOM 900 OE1 GLU A 199 20.046 18.263 11.404 1.00 18.61 O ATOM 901 OE2 GLU A 199 19.264 19.693 12.880 1.00 17.49 O ATOM 902 H GLU A 199 19.583 22.067 8.030 1.00 0.00 H ATOM 903 N ASP A 200 19.328 24.121 10.624 1.00 16.41 N ATOM 904 CA ASP A 200 19.300 25.262 11.525 1.00 17.38 C ATOM 905 C ASP A 200 17.941 25.467 12.192 1.00 18.54 C ATOM 906 O ASP A 200 17.829 26.275 13.110 1.00 19.74 O ATOM 907 CB ASP A 200 19.797 26.533 10.832 1.00 18.10 C ATOM 908 CG ASP A 200 21.313 26.565 10.693 1.00 20.07 C ATOM 909 OD1 ASP A 200 21.809 27.193 9.740 1.00 19.40 O ATOM 910 OD2 ASP A 200 22.017 25.956 11.532 1.00 22.32 O ATOM 911 H ASP A 200 19.342 24.261 9.594 1.00 0.00 H ATOM 912 N GLU A 201 16.921 24.725 11.756 1.00 18.02 N ATOM 913 CA GLU A 201 15.679 24.649 12.533 1.00 18.17 C ATOM 914 C GLU A 201 15.830 23.654 13.674 1.00 17.81 C ATOM 915 O GLU A 201 16.762 22.832 13.678 1.00 18.36 O ATOM 916 CB GLU A 201 14.486 24.233 11.670 1.00 17.96 C ATOM 917 CG GLU A 201 14.438 24.842 10.283 1.00 18.53 C ATOM 918 CD GLU A 201 14.594 26.346 10.271 1.00 20.35 C ATOM 919 OE1 GLU A 201 14.281 27.020 11.284 1.00 22.09 O ATOM 920 OE2 GLU A 201 15.031 26.853 9.224 1.00 21.52 O ATOM 921 H GLU A 201 17.007 24.199 10.863 1.00 0.00 H ATOM 922 N PHE A 202 14.917 23.736 14.640 1.00 18.00 N ATOM 923 CA PHE A 202 14.844 22.752 15.717 1.00 18.82 C ATOM 924 C PHE A 202 13.674 21.814 15.450 1.00 18.67 C ATOM 925 O PHE A 202 12.509 22.170 15.666 1.00 19.99 O ATOM 926 CB PHE A 202 14.711 23.412 17.091 1.00 21.12 C ATOM 927 CG PHE A 202 14.767 22.433 18.227 1.00 22.72 C ATOM 928 CD1 PHE A 202 15.954 21.780 18.534 1.00 24.09 C ATOM 929 CD2 PHE A 202 13.636 22.162 18.987 1.00 23.41 C ATOM 930 CE1 PHE A 202 16.013 20.870 19.582 1.00 24.82 C ATOM 931 CE2 PHE A 202 13.684 21.254 20.035 1.00 24.89 C ATOM 932 CZ PHE A 202 14.871 20.606 20.330 1.00 24.96 C ATOM 933 H PHE A 202 14.237 24.523 14.627 1.00 0.00 H ATOM 934 N TRP A 203 13.999 20.615 14.964 1.00 17.99 N ATOM 935 CA TRP A 203 13.002 19.641 14.530 1.00 17.65 C ATOM 936 C TRP A 203 12.432 18.903 15.731 1.00 18.42 C ATOM 937 O TRP A 203 13.177 18.504 16.628 1.00 18.89 O ATOM 938 CB TRP A 203 13.646 18.664 13.534 1.00 17.26 C ATOM 939 CG TRP A 203 14.111 19.401 12.331 1.00 16.59 C ATOM 940 CD1 TRP A 203 15.395 19.787 12.027 1.00 15.95 C ATOM 941 CD2 TRP A 203 13.277 19.929 11.298 1.00 15.83 C ATOM 942 NE1 TRP A 203 15.405 20.497 10.841 1.00 15.76 N ATOM 943 CE2 TRP A 203 14.116 20.600 10.380 1.00 15.97 C ATOM 944 CE3 TRP A 203 11.902 19.892 11.058 1.00 15.92 C ATOM 945 CZ2 TRP A 203 13.618 21.235 9.243 1.00 16.68 C ATOM 946 CZ3 TRP A 203 11.411 20.512 9.923 1.00 15.66 C ATOM 947 CH2 TRP A 203 12.266 21.181 9.031 1.00 16.08 C ATOM 948 HE1 TRP A 203 16.249 20.888 10.375 1.00 0.00 H ATOM 949 H TRP A 203 15.005 20.363 14.891 1.00 0.00 H ATOM 950 N THR A 204 11.113 18.741 15.763 1.00 18.04 N ATOM 951 CA THR A 204 10.468 18.058 16.886 1.00 18.97 C ATOM 952 C THR A 204 9.362 17.095 16.471 1.00 20.06 C ATOM 953 O THR A 204 8.933 17.058 15.315 1.00 20.32 O ATOM 954 CB THR A 204 9.819 19.051 17.878 1.00 21.95 C ATOM 955 OG1 THR A 204 8.658 19.640 17.272 1.00 24.33 O ATOM 956 CG2 THR A 204 10.785 20.134 18.302 1.00 22.55 C ATOM 957 HG1 THR A 204 8.242 20.276 17.907 1.00 0.00 H ATOM 958 H THR A 204 10.532 19.104 14.981 1.00 0.00 H ATOM 959 N THR A 205 8.900 16.337 17.459 1.00 21.34 N ATOM 960 CA THR A 205 7.762 15.442 17.332 1.00 22.77 C ATOM 961 C THR A 205 6.466 16.133 17.751 1.00 24.53 C ATOM 962 O THR A 205 5.394 15.512 17.760 1.00 27.18 O ATOM 963 CB THR A 205 7.925 14.251 18.283 1.00 23.16 C ATOM 964 OG1 THR A 205 7.874 14.718 19.640 1.00 24.49 O ATOM 965 CG2 THR A 205 9.259 13.536 18.048 1.00 24.45 C ATOM 966 HG1 THR A 205 7.979 13.950 20.256 1.00 0.00 H ATOM 967 H THR A 205 9.382 16.387 18.379 1.00 0.00 H ATOM 968 N HIS A 206 6.553 17.410 18.112 1.00 23.96 N ATOM 969 CA HIS A 206 5.427 18.072 18.766 1.00 26.05 C ATOM 970 C HIS A 206 5.165 19.482 18.241 1.00 27.14 C ATOM 971 O HIS A 206 5.536 19.807 17.113 1.00 26.89 O ATOM 972 CB HIS A 206 5.628 18.076 20.286 1.00 27.02 C ATOM 973 CG HIS A 206 6.973 18.579 20.727 1.00 28.43 C ATOM 974 ND1 HIS A 206 7.188 19.879 21.130 1.00 29.77 N ATOM 975 CD2 HIS A 206 8.165 17.946 20.840 1.00 28.42 C ATOM 976 CE1 HIS A 206 8.458 20.029 21.468 1.00 29.59 C ATOM 977 NE2 HIS A 206 9.071 18.872 21.303 1.00 28.79 N ATOM 978 H HIS A 206 7.428 17.941 17.928 1.00 0.00 H ATOM 979 N SER A 207 4.518 20.303 19.066 1.00 29.07 N ATOM 980 CA SER A 207 4.102 21.645 18.652 1.00 30.44 C ATOM 981 C SER A 207 5.222 22.671 18.779 1.00 30.88 C ATOM 982 O SER A 207 5.155 23.751 18.184 1.00 31.19 O ATOM 983 CB SER A 207 2.881 22.107 19.452 1.00 32.36 C ATOM 984 OG SER A 207 3.208 22.352 20.812 1.00 33.73 O ATOM 985 HG SER A 207 3.554 21.520 21.222 1.00 0.00 H ATOM 986 H SER A 207 4.302 19.982 20.031 1.00 0.00 H ATOM 987 N GLY A 208 6.248 22.342 19.560 1.00 30.12 N ATOM 988 CA GLY A 208 7.385 23.232 19.724 1.00 29.29 C ATOM 989 C GLY A 208 8.320 23.114 18.537 1.00 28.56 C ATOM 990 O GLY A 208 8.279 22.123 17.813 1.00 29.43 O ATOM 991 H GLY A 208 6.236 21.431 20.062 1.00 0.00 H ATOM 992 N GLY A 209 9.163 24.121 18.331 1.00 27.00 N ATOM 993 CA GLY A 209 10.103 24.101 17.221 1.00 24.34 C ATOM 994 C GLY A 209 9.394 23.946 15.888 1.00 23.90 C ATOM 995 O GLY A 209 8.342 24.563 15.661 1.00 25.79 O ATOM 996 H GLY A 209 9.150 24.938 18.975 1.00 0.00 H ATOM 997 N THR A 210 9.961 23.122 15.010 1.00 21.73 N ATOM 998 CA THR A 210 9.329 22.832 13.729 1.00 20.27 C ATOM 999 C THR A 210 8.995 21.346 13.661 1.00 19.22 C ATOM 1000 O THR A 210 9.885 20.502 13.804 1.00 18.80 O ATOM 1001 CB THR A 210 10.238 23.224 12.553 1.00 20.62 C ATOM 1002 OG1 THR A 210 10.669 24.584 12.709 1.00 21.08 O ATOM 1003 CG2 THR A 210 9.484 23.094 11.238 1.00 20.47 C ATOM 1004 HG1 THR A 210 9.878 25.180 12.727 1.00 0.00 H ATOM 1005 H THR A 210 10.872 22.677 15.242 1.00 0.00 H ATOM 1006 N ASN A 211 7.717 21.027 13.463 1.00 18.57 N ATOM 1007 CA ASN A 211 7.280 19.640 13.463 1.00 19.34 C ATOM 1008 C ASN A 211 7.758 18.909 12.217 1.00 17.88 C ATOM 1009 O ASN A 211 7.391 19.276 11.095 1.00 18.00 O ATOM 1010 CB ASN A 211 5.762 19.553 13.570 1.00 20.77 C ATOM 1011 CG ASN A 211 5.278 18.133 13.724 1.00 20.83 C ATOM 1012 OD1 ASN A 211 4.955 17.464 12.740 1.00 21.40 O ATOM 1013 ND2 ASN A 211 5.226 17.656 14.961 1.00 21.76 N ATOM 1014 HD22 ASN A 211 5.508 18.256 15.762 1.00 0.00 H ATOM 1015 HD21 ASN A 211 4.903 16.682 15.130 1.00 0.00 H ATOM 1016 H ASN A 211 7.020 21.783 13.306 1.00 0.00 H ATOM 1017 N LEU A 212 8.567 17.870 12.408 1.00 16.56 N ATOM 1018 CA LEU A 212 9.168 17.175 11.275 1.00 15.96 C ATOM 1019 C LEU A 212 8.131 16.461 10.413 1.00 16.28 C ATOM 1020 O LEU A 212 8.192 16.519 9.182 1.00 16.04 O ATOM 1021 CB LEU A 212 10.248 16.192 11.745 1.00 15.67 C ATOM 1022 CG LEU A 212 10.901 15.347 10.648 1.00 16.43 C ATOM 1023 CD1 LEU A 212 11.599 16.222 9.614 1.00 18.20 C ATOM 1024 CD2 LEU A 212 11.892 14.362 11.247 1.00 17.85 C ATOM 1025 H LEU A 212 8.773 17.550 13.376 1.00 0.00 H ATOM 1026 N PHE A 213 7.185 15.786 11.061 1.00 16.22 N ATOM 1027 CA PHE A 213 6.132 15.073 10.338 1.00 16.74 C ATOM 1028 C PHE A 213 5.386 15.991 9.361 1.00 16.92 C ATOM 1029 O PHE A 213 5.284 15.675 8.176 1.00 15.97 O ATOM 1030 CB PHE A 213 5.160 14.396 11.315 1.00 15.97 C ATOM 1031 CG PHE A 213 3.861 13.968 10.682 1.00 16.58 C ATOM 1032 CD1 PHE A 213 2.694 14.702 10.882 1.00 17.64 C ATOM 1033 CD2 PHE A 213 3.806 12.835 9.881 1.00 16.99 C ATOM 1034 CE1 PHE A 213 1.489 14.305 10.294 1.00 18.13 C ATOM 1035 CE2 PHE A 213 2.612 12.440 9.289 1.00 18.11 C ATOM 1036 CZ PHE A 213 1.455 13.175 9.494 1.00 18.13 C ATOM 1037 H PHE A 213 7.194 15.765 12.101 1.00 0.00 H ATOM 1038 N LEU A 214 4.888 17.128 9.846 1.00 16.77 N ATOM 1039 CA LEU A 214 4.125 18.036 8.997 1.00 17.49 C ATOM 1040 C LEU A 214 4.967 18.572 7.847 1.00 16.17 C ATOM 1041 O LEU A 214 4.509 18.624 6.699 1.00 15.74 O ATOM 1042 CB LEU A 214 3.556 19.190 9.820 1.00 19.41 C ATOM 1043 CG LEU A 214 2.427 18.802 10.775 1.00 21.71 C ATOM 1044 CD1 LEU A 214 2.003 19.994 11.629 1.00 23.99 C ATOM 1045 CD2 LEU A 214 1.228 18.248 10.008 1.00 22.33 C ATOM 1046 H LEU A 214 5.046 17.372 10.845 1.00 0.00 H ATOM 1047 N THR A 215 6.200 18.966 8.150 1.00 16.31 N ATOM 1048 CA THR A 215 7.080 19.496 7.127 1.00 15.67 C ATOM 1049 C THR A 215 7.380 18.417 6.089 1.00 15.37 C ATOM 1050 O THR A 215 7.381 18.686 4.884 1.00 15.66 O ATOM 1051 CB THR A 215 8.370 20.037 7.743 1.00 16.77 C ATOM 1052 OG1 THR A 215 8.028 20.996 8.753 1.00 18.34 O ATOM 1053 CG2 THR A 215 9.242 20.707 6.682 1.00 16.30 C ATOM 1054 HG1 THR A 215 7.479 20.557 9.450 1.00 0.00 H ATOM 1055 H THR A 215 6.537 18.893 9.131 1.00 0.00 H ATOM 1056 N ALA A 216 7.604 17.189 6.552 1.00 14.91 N ATOM 1057 CA ALA A 216 7.868 16.080 5.639 1.00 14.77 C ATOM 1058 C ALA A 216 6.665 15.772 4.725 1.00 14.16 C ATOM 1059 O ALA A 216 6.844 15.438 3.549 1.00 14.21 O ATOM 1060 CB ALA A 216 8.312 14.837 6.397 1.00 15.45 C ATOM 1061 H ALA A 216 7.591 17.017 7.578 1.00 0.00 H ATOM 1062 N VAL A 217 5.443 15.860 5.249 1.00 14.46 N ATOM 1063 CA VAL A 217 4.271 15.645 4.395 1.00 14.08 C ATOM 1064 C VAL A 217 4.301 16.654 3.249 1.00 14.43 C ATOM 1065 O VAL A 217 4.131 16.299 2.079 1.00 15.41 O ATOM 1066 CB VAL A 217 2.931 15.739 5.161 1.00 14.52 C ATOM 1067 CG1 VAL A 217 1.748 15.646 4.190 1.00 15.44 C ATOM 1068 CG2 VAL A 217 2.839 14.635 6.223 1.00 15.77 C ATOM 1069 H VAL A 217 5.321 16.080 6.258 1.00 0.00 H ATOM 1070 N HIS A 218 4.547 17.914 3.597 1.00 14.87 N ATOM 1071 CA HIS A 218 4.624 18.963 2.588 1.00 15.11 C ATOM 1072 C HIS A 218 5.722 18.683 1.558 1.00 14.23 C ATOM 1073 O HIS A 218 5.480 18.714 0.342 1.00 14.37 O ATOM 1074 CB HIS A 218 4.855 20.322 3.248 1.00 15.37 C ATOM 1075 CG HIS A 218 5.017 21.448 2.275 1.00 15.36 C ATOM 1076 ND1 HIS A 218 3.985 22.304 1.951 1.00 16.41 N ATOM 1077 CD2 HIS A 218 6.091 21.875 1.571 1.00 16.06 C ATOM 1078 CE1 HIS A 218 4.415 23.205 1.089 1.00 17.09 C ATOM 1079 NE2 HIS A 218 5.691 22.962 0.831 1.00 16.92 N ATOM 1080 H HIS A 218 4.686 18.153 4.600 1.00 0.00 H ATOM 1081 N GLU A 219 6.932 18.402 2.032 1.00 14.89 N ATOM 1082 CA GLU A 219 8.037 18.172 1.108 1.00 14.38 C ATOM 1083 C GLU A 219 7.836 16.935 0.238 1.00 13.90 C ATOM 1084 O GLU A 219 8.130 16.966 -0.961 1.00 13.83 O ATOM 1085 CB GLU A 219 9.386 18.097 1.838 1.00 15.00 C ATOM 1086 CG GLU A 219 9.729 19.328 2.667 1.00 15.70 C ATOM 1087 CD GLU A 219 9.574 20.647 1.914 1.00 17.72 C ATOM 1088 OE1 GLU A 219 9.323 21.674 2.579 1.00 20.47 O ATOM 1089 OE2 GLU A 219 9.714 20.678 0.671 1.00 19.29 O ATOM 1090 H GLU A 219 7.090 18.346 3.058 1.00 0.00 H ATOM 1091 N ILE A 220 7.331 15.854 0.827 1.00 14.53 N ATOM 1092 CA ILE A 220 7.092 14.645 0.045 1.00 14.54 C ATOM 1093 C ILE A 220 6.065 14.923 -1.060 1.00 15.28 C ATOM 1094 O ILE A 220 6.175 14.385 -2.168 1.00 15.63 O ATOM 1095 CB ILE A 220 6.703 13.445 0.936 1.00 14.41 C ATOM 1096 CG1 ILE A 220 7.903 13.053 1.806 1.00 14.64 C ATOM 1097 CG2 ILE A 220 6.248 12.253 0.089 1.00 15.49 C ATOM 1098 CD1 ILE A 220 7.581 12.085 2.915 1.00 16.34 C ATOM 1099 H ILE A 220 7.107 15.871 1.842 1.00 0.00 H ATOM 1100 N GLY A 221 5.097 15.801 -0.777 1.00 14.36 N ATOM 1101 CA GLY A 221 4.181 16.249 -1.812 1.00 14.90 C ATOM 1102 C GLY A 221 4.940 16.759 -3.034 1.00 14.83 C ATOM 1103 O GLY A 221 4.624 16.376 -4.169 1.00 15.12 O ATOM 1104 H GLY A 221 4.999 16.166 0.192 1.00 0.00 H ATOM 1105 N HIS A 222 5.952 17.605 -2.815 1.00 14.10 N ATOM 1106 CA HIS A 222 6.796 18.066 -3.915 1.00 14.64 C ATOM 1107 C HIS A 222 7.579 16.907 -4.548 1.00 14.30 C ATOM 1108 O HIS A 222 7.721 16.840 -5.775 1.00 15.32 O ATOM 1109 CB HIS A 222 7.821 19.093 -3.435 1.00 15.42 C ATOM 1110 CG HIS A 222 7.252 20.426 -3.044 1.00 16.26 C ATOM 1111 ND1 HIS A 222 6.412 21.160 -3.856 1.00 17.64 N ATOM 1112 CD2 HIS A 222 7.463 21.176 -1.941 1.00 16.76 C ATOM 1113 CE1 HIS A 222 6.117 22.301 -3.253 1.00 17.42 C ATOM 1114 NE2 HIS A 222 6.746 22.341 -2.093 1.00 16.58 N ATOM 1115 H HIS A 222 6.141 17.939 -1.849 1.00 0.00 H ATOM 1116 N SER A 223 8.110 16.017 -3.711 1.00 14.77 N ATOM 1117 CA SER A 223 8.856 14.849 -4.192 1.00 15.80 C ATOM 1118 C SER A 223 8.010 13.970 -5.112 1.00 16.35 C ATOM 1119 O SER A 223 8.555 13.228 -5.932 1.00 16.64 O ATOM 1120 CB SER A 223 9.357 13.998 -3.021 1.00 15.75 C ATOM 1121 OG SER A 223 10.286 14.696 -2.212 1.00 16.78 O ATOM 1122 HG SER A 223 11.068 14.957 -2.760 1.00 0.00 H ATOM 1123 H SER A 223 7.992 16.154 -2.687 1.00 0.00 H ATOM 1124 N LEU A 224 6.685 14.046 -4.963 1.00 15.82 N ATOM 1125 CA LEU A 224 5.768 13.269 -5.799 1.00 15.69 C ATOM 1126 C LEU A 224 5.265 14.053 -7.018 1.00 15.62 C ATOM 1127 O LEU A 224 4.622 13.484 -7.912 1.00 16.40 O ATOM 1128 CB LEU A 224 4.593 12.746 -4.970 1.00 15.20 C ATOM 1129 CG LEU A 224 4.982 11.879 -3.778 1.00 15.52 C ATOM 1130 CD1 LEU A 224 3.743 11.439 -2.990 1.00 15.06 C ATOM 1131 CD2 LEU A 224 5.783 10.670 -4.231 1.00 15.90 C ATOM 1132 H LEU A 224 6.294 14.675 -4.233 1.00 0.00 H ATOM 1133 N GLY A 225 5.542 15.360 -7.062 1.00 15.25 N ATOM 1134 CA GLY A 225 5.200 16.163 -8.225 1.00 17.70 C ATOM 1135 C GLY A 225 4.239 17.317 -7.984 1.00 17.81 C ATOM 1136 O GLY A 225 3.930 18.072 -8.913 1.00 18.67 O ATOM 1137 H GLY A 225 6.010 15.810 -6.250 1.00 0.00 H ATOM 1138 N LEU A 226 3.766 17.475 -6.752 1.00 17.31 N ATOM 1139 CA LEU A 226 2.835 18.565 -6.444 1.00 17.63 C ATOM 1140 C LEU A 226 3.535 19.906 -6.325 1.00 18.73 C ATOM 1141 O LEU A 226 4.692 19.990 -5.890 1.00 18.84 O ATOM 1142 CB LEU A 226 2.100 18.297 -5.135 1.00 17.64 C ATOM 1143 CG LEU A 226 1.151 17.105 -5.069 1.00 17.94 C ATOM 1144 CD1 LEU A 226 0.631 16.945 -3.650 1.00 18.58 C ATOM 1145 CD2 LEU A 226 0.008 17.305 -6.057 1.00 19.57 C ATOM 1146 H LEU A 226 4.059 16.820 -6.000 1.00 0.00 H ATOM 1147 N GLY A 227 2.824 20.962 -6.711 1.00 18.51 N ATOM 1148 CA GLY A 227 3.263 22.319 -6.453 1.00 19.34 C ATOM 1149 C GLY A 227 2.478 22.887 -5.286 1.00 19.55 C ATOM 1150 O GLY A 227 1.757 22.154 -4.596 1.00 21.17 O ATOM 1151 H GLY A 227 1.926 20.809 -7.213 1.00 0.00 H ATOM 1152 N HIS A 228 2.603 24.188 -5.057 1.00 19.11 N ATOM 1153 CA HIS A 228 1.912 24.793 -3.930 1.00 19.77 C ATOM 1154 C HIS A 228 0.434 24.984 -4.174 1.00 21.10 C ATOM 1155 O HIS A 228 -0.007 25.135 -5.315 1.00 23.02 O ATOM 1156 CB HIS A 228 2.572 26.110 -3.534 1.00 20.06 C ATOM 1157 CG HIS A 228 3.861 25.912 -2.808 1.00 19.73 C ATOM 1158 ND1 HIS A 228 4.862 26.863 -2.772 1.00 20.52 N ATOM 1159 CD2 HIS A 228 4.318 24.862 -2.086 1.00 19.28 C ATOM 1160 CE1 HIS A 228 5.877 26.400 -2.066 1.00 20.20 C ATOM 1161 NE2 HIS A 228 5.571 25.189 -1.634 1.00 19.30 N ATOM 1162 H HIS A 228 3.194 24.773 -5.682 1.00 0.00 H ATOM 1163 N SER A 229 -0.319 24.966 -3.079 1.00 22.13 N ATOM 1164 CA SER A 229 -1.755 25.185 -3.110 1.00 24.69 C ATOM 1165 C SER A 229 -2.061 26.590 -2.611 1.00 27.63 C ATOM 1166 O SER A 229 -1.276 27.165 -1.854 1.00 27.87 O ATOM 1167 CB SER A 229 -2.451 24.160 -2.216 1.00 24.69 C ATOM 1168 OG SER A 229 -3.836 24.463 -2.077 1.00 25.72 O ATOM 1169 HG SER A 229 -4.264 23.786 -1.495 1.00 0.00 H ATOM 1170 H SER A 229 0.138 24.788 -2.162 1.00 0.00 H ATOM 1171 N SER A 230 -3.196 27.138 -3.032 1.00 30.02 N ATOM 1172 CA SER A 230 -3.634 28.449 -2.557 1.00 32.96 C ATOM 1173 C SER A 230 -4.639 28.312 -1.412 1.00 33.74 C ATOM 1174 O SER A 230 -5.058 29.312 -0.814 1.00 34.86 O ATOM 1175 CB SER A 230 -4.250 29.252 -3.706 1.00 35.88 C ATOM 1176 OG SER A 230 -5.255 28.505 -4.374 1.00 38.09 O ATOM 1177 HG SER A 230 -4.858 27.677 -4.744 1.00 0.00 H ATOM 1178 H SER A 230 -3.786 26.622 -3.715 1.00 0.00 H ATOM 1179 N ASP A 231 -5.025 27.072 -1.124 1.00 33.05 N ATOM 1180 CA ASP A 231 -5.969 26.755 -0.058 1.00 33.60 C ATOM 1181 C ASP A 231 -5.226 26.724 1.277 1.00 32.65 C ATOM 1182 O ASP A 231 -4.281 25.957 1.448 1.00 31.23 O ATOM 1183 CB ASP A 231 -6.603 25.394 -0.350 1.00 35.47 C ATOM 1184 CG ASP A 231 -7.758 25.055 0.577 1.00 36.96 C ATOM 1185 OD1 ASP A 231 -8.711 24.415 0.087 1.00 38.15 O ATOM 1186 OD2 ASP A 231 -7.716 25.402 1.780 1.00 37.25 O ATOM 1187 H ASP A 231 -4.634 26.290 -1.687 1.00 0.00 H ATOM 1188 N PRO A 232 -5.660 27.552 2.240 1.00 32.51 N ATOM 1189 CA PRO A 232 -4.921 27.642 3.507 1.00 33.22 C ATOM 1190 C PRO A 232 -5.085 26.405 4.383 1.00 32.55 C ATOM 1191 O PRO A 232 -4.391 26.288 5.399 1.00 33.92 O ATOM 1192 CB PRO A 232 -5.556 28.854 4.195 1.00 33.72 C ATOM 1193 CG PRO A 232 -6.932 28.918 3.648 1.00 33.42 C ATOM 1194 CD PRO A 232 -6.839 28.438 2.221 1.00 32.79 C ATOM 1195 N LYS A 233 -5.975 25.513 4.019 1.00 30.90 N ATOM 1196 CA LYS A 233 -6.144 24.284 4.751 1.00 30.46 C ATOM 1197 C LYS A 233 -5.297 23.151 4.184 1.00 27.54 C ATOM 1198 O LYS A 233 -5.226 22.104 4.768 1.00 27.22 O ATOM 1199 CB LYS A 233 -7.610 23.884 4.765 1.00 33.14 C ATOM 1200 CG LYS A 233 -8.497 25.026 5.208 1.00 35.21 C ATOM 1201 CD LYS A 233 -8.032 25.502 6.547 1.00 36.60 C ATOM 1202 CE LYS A 233 -8.851 26.664 7.048 1.00 37.91 C ATOM 1203 NZ LYS A 233 -10.155 26.155 7.473 1.00 38.92 N ATOM 1204 HZ1 LYS A 233 -10.630 25.704 6.665 1.00 0.00 H ATOM 1205 HZ2 LYS A 233 -10.023 25.457 8.232 1.00 0.00 H ATOM 1206 HZ3 LYS A 233 -10.736 26.943 7.823 1.00 0.00 H ATOM 1207 H LYS A 233 -6.570 25.697 3.186 1.00 0.00 H ATOM 1208 N ALA A 234 -4.691 23.398 3.034 1.00 25.17 N ATOM 1209 CA ALA A 234 -3.903 22.381 2.342 1.00 23.05 C ATOM 1210 C ALA A 234 -2.509 22.259 2.925 1.00 20.78 C ATOM 1211 O ALA A 234 -1.879 23.263 3.261 1.00 20.53 O ATOM 1212 CB ALA A 234 -3.820 22.692 0.861 1.00 23.43 C ATOM 1213 H ALA A 234 -4.778 24.344 2.610 1.00 0.00 H ATOM 1214 N VAL A 235 -2.013 21.031 3.025 1.00 19.48 N ATOM 1215 CA VAL A 235 -0.650 20.832 3.492 1.00 18.19 C ATOM 1216 C VAL A 235 0.361 21.381 2.478 1.00 17.93 C ATOM 1217 O VAL A 235 1.506 21.665 2.830 1.00 17.73 O ATOM 1218 CB VAL A 235 -0.394 19.344 3.824 1.00 18.60 C ATOM 1219 CG1 VAL A 235 -0.267 18.495 2.554 1.00 18.53 C ATOM 1220 CG2 VAL A 235 0.836 19.200 4.700 1.00 19.05 C ATOM 1221 H VAL A 235 -2.600 20.211 2.769 1.00 0.00 H ATOM 1222 N MET A 236 -0.072 21.541 1.227 1.00 17.39 N ATOM 1223 CA MET A 236 0.789 22.105 0.193 1.00 17.65 C ATOM 1224 C MET A 236 0.732 23.640 0.143 1.00 18.77 C ATOM 1225 O MET A 236 1.308 24.253 -0.756 1.00 19.58 O ATOM 1226 CB MET A 236 0.473 21.502 -1.177 1.00 17.37 C ATOM 1227 CG MET A 236 0.737 19.987 -1.271 1.00 17.02 C ATOM 1228 SD MET A 236 2.368 19.487 -0.668 1.00 16.44 S ATOM 1229 CE MET A 236 3.472 20.468 -1.691 1.00 17.73 C ATOM 1230 H MET A 236 -1.043 21.258 0.984 1.00 0.00 H ATOM 1231 N PHE A 237 0.058 24.263 1.109 1.00 19.66 N ATOM 1232 CA PHE A 237 0.118 25.723 1.251 1.00 20.81 C ATOM 1233 C PHE A 237 1.571 26.118 1.570 1.00 20.52 C ATOM 1234 O PHE A 237 2.295 25.339 2.183 1.00 20.14 O ATOM 1235 CB PHE A 237 -0.843 26.181 2.356 1.00 22.92 C ATOM 1236 CG PHE A 237 -1.154 27.649 2.335 1.00 25.95 C ATOM 1237 CD1 PHE A 237 -1.902 28.200 1.302 1.00 27.09 C ATOM 1238 CD2 PHE A 237 -0.703 28.473 3.349 1.00 27.14 C ATOM 1239 CE1 PHE A 237 -2.182 29.545 1.278 1.00 28.40 C ATOM 1240 CE2 PHE A 237 -0.987 29.831 3.339 1.00 28.38 C ATOM 1241 CZ PHE A 237 -1.727 30.362 2.299 1.00 28.80 C ATOM 1242 H PHE A 237 -0.519 23.707 1.772 1.00 0.00 H ATOM 1243 N PRO A 238 2.018 27.309 1.129 1.00 22.09 N ATOM 1244 CA PRO A 238 3.446 27.661 1.250 1.00 23.36 C ATOM 1245 C PRO A 238 3.973 27.881 2.674 1.00 24.14 C ATOM 1246 O PRO A 238 5.195 27.817 2.880 1.00 25.48 O ATOM 1247 CB PRO A 238 3.546 28.988 0.482 1.00 23.83 C ATOM 1248 CG PRO A 238 2.396 29.001 -0.435 1.00 23.50 C ATOM 1249 CD PRO A 238 1.293 28.251 0.258 1.00 23.28 C ATOM 1250 N THR A 239 3.094 28.158 3.633 1.00 25.19 N ATOM 1251 CA THR A 239 3.554 28.502 4.973 1.00 26.79 C ATOM 1252 C THR A 239 3.202 27.457 6.007 1.00 27.62 C ATOM 1253 O THR A 239 2.064 26.984 6.074 1.00 27.32 O ATOM 1254 CB THR A 239 3.053 29.893 5.443 1.00 28.71 C ATOM 1255 OG1 THR A 239 1.627 29.975 5.323 1.00 31.04 O ATOM 1256 CG2 THR A 239 3.682 30.986 4.619 1.00 28.84 C ATOM 1257 HG1 THR A 239 1.209 29.274 5.883 1.00 0.00 H ATOM 1258 H THR A 239 2.075 28.129 3.426 1.00 0.00 H ATOM 1259 N TYR A 240 4.206 27.100 6.799 1.00 27.41 N ATOM 1260 CA TYR A 240 4.077 26.116 7.862 1.00 28.65 C ATOM 1261 C TYR A 240 3.107 26.578 8.933 1.00 31.73 C ATOM 1262 O TYR A 240 3.096 27.748 9.322 1.00 31.28 O ATOM 1263 CB TYR A 240 5.450 25.871 8.489 1.00 27.65 C ATOM 1264 CG TYR A 240 5.442 25.024 9.742 1.00 26.54 C ATOM 1265 CD1 TYR A 240 5.585 23.643 9.673 1.00 25.41 C ATOM 1266 CD2 TYR A 240 5.305 25.611 10.997 1.00 26.96 C ATOM 1267 CE1 TYR A 240 5.582 22.872 10.814 1.00 25.84 C ATOM 1268 CE2 TYR A 240 5.293 24.854 12.139 1.00 26.57 C ATOM 1269 CZ TYR A 240 5.438 23.483 12.042 1.00 25.41 C ATOM 1270 OH TYR A 240 5.435 22.725 13.190 1.00 25.04 O ATOM 1271 HH TYR A 240 6.180 23.012 13.775 1.00 0.00 H ATOM 1272 H TYR A 240 5.133 27.547 6.651 1.00 0.00 H ATOM 1273 N ALA A 241 2.301 25.639 9.410 1.00 34.32 N ATOM 1274 CA ALA A 241 1.452 25.864 10.568 1.00 37.94 C ATOM 1275 C ALA A 241 1.369 24.558 11.334 1.00 36.67 C ATOM 1276 O ALA A 241 1.250 23.490 10.726 1.00 35.93 O ATOM 1277 CB ALA A 241 0.074 26.306 10.137 1.00 43.63 C ATOM 1278 H ALA A 241 2.276 24.712 8.940 1.00 0.00 H ATOM 1279 N TYR A 242 1.446 24.626 12.660 1.00 36.22 N ATOM 1280 CA TYR A 242 1.283 23.417 13.450 1.00 36.14 C ATOM 1281 C TYR A 242 -0.179 23.088 13.616 1.00 37.23 C ATOM 1282 O TYR A 242 -0.992 23.947 13.972 1.00 37.22 O ATOM 1283 CB TYR A 242 1.932 23.506 14.836 1.00 35.73 C ATOM 1284 CG TYR A 242 1.712 22.226 15.623 1.00 35.09 C ATOM 1285 CD1 TYR A 242 2.494 21.102 15.381 1.00 35.03 C ATOM 1286 CD2 TYR A 242 0.699 22.128 16.572 1.00 35.06 C ATOM 1287 CE1 TYR A 242 2.289 19.926 16.073 1.00 35.40 C ATOM 1288 CE2 TYR A 242 0.482 20.954 17.267 1.00 35.61 C ATOM 1289 CZ TYR A 242 1.284 19.859 17.012 1.00 36.46 C ATOM 1290 OH TYR A 242 1.086 18.685 17.698 1.00 38.11 O ATOM 1291 HH TYR A 242 1.743 18.011 17.393 1.00 0.00 H ATOM 1292 H TYR A 242 1.622 25.538 13.128 1.00 0.00 H ATOM 1293 N VAL A 243 -0.477 21.826 13.399 1.00 38.13 N ATOM 1294 CA VAL A 243 -1.757 21.254 13.693 1.00 39.42 C ATOM 1295 C VAL A 243 -1.569 19.983 14.468 1.00 40.02 C ATOM 1296 O VAL A 243 -0.605 19.260 14.282 1.00 39.35 O ATOM 1297 CB VAL A 243 -2.612 21.059 12.455 1.00 39.95 C ATOM 1298 CG1 VAL A 243 -2.780 22.384 11.764 1.00 40.58 C ATOM 1299 CG2 VAL A 243 -1.991 20.060 11.513 1.00 39.82 C ATOM 1300 H VAL A 243 0.256 21.210 12.992 1.00 0.00 H ATOM 1301 N ASP A 244 -2.476 19.738 15.397 1.00 41.33 N ATOM 1302 CA ASP A 244 -2.411 18.499 16.161 1.00 42.47 C ATOM 1303 C ASP A 244 -2.198 17.355 15.181 1.00 42.52 C ATOM 1304 O ASP A 244 -3.057 17.063 14.353 1.00 41.80 O ATOM 1305 CB ASP A 244 -3.698 18.298 16.973 1.00 43.28 C ATOM 1306 CG ASP A 244 -3.659 17.052 17.852 1.00 43.85 C ATOM 1307 OD1 ASP A 244 -4.674 16.783 18.529 1.00 43.97 O ATOM 1308 OD2 ASP A 244 -2.634 16.339 17.867 1.00 44.35 O ATOM 1309 H ASP A 244 -3.233 20.427 15.582 1.00 0.00 H ATOM 1310 N ILE A 245 -1.024 16.739 15.255 1.00 43.33 N ATOM 1311 CA ILE A 245 -0.627 15.744 14.270 1.00 43.88 C ATOM 1312 C ILE A 245 -1.441 14.465 14.421 1.00 43.97 C ATOM 1313 O ILE A 245 -1.533 13.661 13.488 1.00 43.86 O ATOM 1314 CB ILE A 245 0.873 15.416 14.371 1.00 44.15 C ATOM 1315 CG1 ILE A 245 1.197 14.857 15.756 1.00 45.17 C ATOM 1316 CG2 ILE A 245 1.715 16.656 14.068 1.00 43.08 C ATOM 1317 CD1 ILE A 245 2.054 13.620 15.715 1.00 45.77 C ATOM 1318 H ILE A 245 -0.375 16.972 16.033 1.00 0.00 H ATOM 1319 N ASN A 246 -2.036 14.277 15.594 1.00 44.24 N ATOM 1320 CA ASN A 246 -2.839 13.087 15.833 1.00 44.58 C ATOM 1321 C ASN A 246 -4.180 13.153 15.107 1.00 42.87 C ATOM 1322 O ASN A 246 -4.791 12.123 14.819 1.00 44.16 O ATOM 1323 CB ASN A 246 -3.020 12.842 17.334 1.00 46.58 C ATOM 1324 CG ASN A 246 -1.745 12.347 18.000 1.00 48.49 C ATOM 1325 OD1 ASN A 246 -1.099 13.076 18.752 1.00 49.21 O ATOM 1326 ND2 ASN A 246 -1.375 11.102 17.717 1.00 49.12 N ATOM 1327 HD22 ASN A 246 -1.952 10.521 17.076 1.00 0.00 H ATOM 1328 HD21 ASN A 246 -0.509 10.709 18.137 1.00 0.00 H ATOM 1329 H ASN A 246 -1.927 14.986 16.347 1.00 0.00 H ATOM 1330 N THR A 247 -4.630 14.367 14.800 1.00 40.05 N ATOM 1331 CA THR A 247 -5.850 14.542 14.016 1.00 37.90 C ATOM 1332 C THR A 247 -5.566 15.088 12.621 1.00 34.98 C ATOM 1333 O THR A 247 -6.478 15.563 11.942 1.00 34.79 O ATOM 1334 CB THR A 247 -6.859 15.484 14.703 1.00 39.15 C ATOM 1335 OG1 THR A 247 -6.239 16.752 14.958 1.00 39.65 O ATOM 1336 CG2 THR A 247 -7.358 14.886 16.011 1.00 39.47 C ATOM 1337 HG1 THR A 247 -5.945 17.153 14.102 1.00 0.00 H ATOM 1338 H THR A 247 -4.105 15.204 15.123 1.00 0.00 H ATOM 1339 N PHE A 248 -4.309 15.028 12.191 1.00 32.80 N ATOM 1340 CA PHE A 248 -3.964 15.546 10.872 1.00 29.66 C ATOM 1341 C PHE A 248 -4.701 14.832 9.753 1.00 28.97 C ATOM 1342 O PHE A 248 -4.826 13.606 9.761 1.00 29.53 O ATOM 1343 CB PHE A 248 -2.462 15.458 10.597 1.00 28.21 C ATOM 1344 CG PHE A 248 -2.105 15.802 9.184 1.00 27.71 C ATOM 1345 CD1 PHE A 248 -2.008 17.128 8.791 1.00 27.67 C ATOM 1346 CD2 PHE A 248 -1.912 14.806 8.233 1.00 27.74 C ATOM 1347 CE1 PHE A 248 -1.708 17.454 7.484 1.00 28.20 C ATOM 1348 CE2 PHE A 248 -1.613 15.128 6.927 1.00 27.85 C ATOM 1349 CZ PHE A 248 -1.511 16.456 6.552 1.00 28.09 C ATOM 1350 H PHE A 248 -3.572 14.612 12.795 1.00 0.00 H ATOM 1351 N ARG A 249 -5.180 15.609 8.787 1.00 28.35 N ATOM 1352 CA ARG A 249 -5.774 15.059 7.576 1.00 28.24 C ATOM 1353 C ARG A 249 -5.338 15.879 6.375 1.00 26.16 C ATOM 1354 O ARG A 249 -5.226 17.106 6.453 1.00 26.05 O ATOM 1355 CB ARG A 249 -7.301 15.099 7.649 1.00 30.02 C ATOM 1356 CG ARG A 249 -7.914 14.348 8.812 1.00 31.82 C ATOM 1357 CD ARG A 249 -7.734 12.850 8.684 1.00 33.01 C ATOM 1358 NE ARG A 249 -8.507 12.155 9.705 1.00 34.20 N ATOM 1359 CZ ARG A 249 -8.606 10.835 9.807 1.00 35.01 C ATOM 1360 NH1 ARG A 249 -9.340 10.303 10.774 1.00 35.39 N ATOM 1361 NH2 ARG A 249 -7.975 10.049 8.945 1.00 35.23 N ATOM 1362 HE ARG A 249 -9.017 12.734 10.403 1.00 0.00 H ATOM 1363 HH12 ARG A 249 -9.420 9.269 10.857 1.00 0.00 H ATOM 1364 HH11 ARG A 249 -9.836 10.919 11.449 1.00 0.00 H ATOM 1365 HH22 ARG A 249 -8.055 9.015 9.029 1.00 0.00 H ATOM 1366 HH21 ARG A 249 -7.400 10.466 8.185 1.00 0.00 H ATOM 1367 H ARG A 249 -5.129 16.642 8.899 1.00 0.00 H ATOM 1368 N LEU A 250 -5.100 15.202 5.261 1.00 24.62 N ATOM 1369 CA LEU A 250 -4.909 15.892 3.999 1.00 22.97 C ATOM 1370 C LEU A 250 -6.199 16.622 3.694 1.00 21.68 C ATOM 1371 O LEU A 250 -7.296 16.095 3.929 1.00 23.12 O ATOM 1372 CB LEU A 250 -4.682 14.904 2.873 1.00 22.59 C ATOM 1373 CG LEU A 250 -3.312 14.278 2.799 1.00 21.47 C ATOM 1374 CD1 LEU A 250 -3.282 13.307 1.634 1.00 20.40 C ATOM 1375 CD2 LEU A 250 -2.270 15.374 2.637 1.00 21.11 C ATOM 1376 H LEU A 250 -5.050 14.164 5.292 1.00 0.00 H ATOM 1377 N SER A 251 -6.075 17.826 3.156 1.00 21.32 N ATOM 1378 CA SER A 251 -7.257 18.551 2.716 1.00 21.14 C ATOM 1379 C SER A 251 -7.800 17.919 1.438 1.00 21.31 C ATOM 1380 O SER A 251 -7.098 17.157 0.758 1.00 20.48 O ATOM 1381 CB SER A 251 -6.920 20.017 2.466 1.00 21.32 C ATOM 1382 OG SER A 251 -6.138 20.161 1.297 1.00 22.67 O ATOM 1383 HG SER A 251 -5.295 19.653 1.401 1.00 0.00 H ATOM 1384 H SER A 251 -5.133 18.253 3.048 1.00 0.00 H ATOM 1385 N ALA A 252 -9.049 18.232 1.106 1.00 21.12 N ATOM 1386 CA ALA A 252 -9.624 17.755 -0.143 1.00 21.55 C ATOM 1387 C ALA A 252 -8.816 18.270 -1.336 1.00 20.54 C ATOM 1388 O ALA A 252 -8.714 17.595 -2.364 1.00 20.69 O ATOM 1389 CB ALA A 252 -11.093 18.173 -0.258 1.00 22.77 C ATOM 1390 H ALA A 252 -9.620 18.823 1.744 1.00 0.00 H ATOM 1391 N ASP A 253 -8.232 19.459 -1.203 1.00 20.63 N ATOM 1392 CA ASP A 253 -7.419 20.004 -2.282 1.00 20.29 C ATOM 1393 C ASP A 253 -6.149 19.177 -2.500 1.00 19.04 C ATOM 1394 O ASP A 253 -5.753 18.934 -3.650 1.00 19.31 O ATOM 1395 CB ASP A 253 -7.048 21.456 -2.008 1.00 22.22 C ATOM 1396 CG ASP A 253 -6.280 22.075 -3.150 1.00 24.26 C ATOM 1397 OD1 ASP A 253 -5.078 22.347 -2.974 1.00 24.64 O ATOM 1398 OD2 ASP A 253 -6.881 22.262 -4.232 1.00 25.77 O ATOM 1399 H ASP A 253 -8.357 20.001 -0.324 1.00 0.00 H ATOM 1400 N ASP A 254 -5.513 18.749 -1.411 1.00 17.58 N ATOM 1401 CA ASP A 254 -4.322 17.905 -1.521 1.00 18.19 C ATOM 1402 C ASP A 254 -4.652 16.568 -2.167 1.00 17.81 C ATOM 1403 O ASP A 254 -3.898 16.068 -2.998 1.00 17.96 O ATOM 1404 CB ASP A 254 -3.701 17.644 -0.145 1.00 19.11 C ATOM 1405 CG ASP A 254 -3.231 18.904 0.545 1.00 20.06 C ATOM 1406 OD1 ASP A 254 -3.632 19.096 1.715 1.00 21.42 O ATOM 1407 OD2 ASP A 254 -2.437 19.674 -0.052 1.00 20.30 O ATOM 1408 H ASP A 254 -5.867 19.018 -0.471 1.00 0.00 H ATOM 1409 N ILE A 255 -5.779 15.987 -1.771 1.00 16.63 N ATOM 1410 CA ILE A 255 -6.190 14.700 -2.312 1.00 17.21 C ATOM 1411 C ILE A 255 -6.508 14.849 -3.806 1.00 17.61 C ATOM 1412 O ILE A 255 -6.094 14.023 -4.620 1.00 18.01 O ATOM 1413 CB ILE A 255 -7.375 14.119 -1.516 1.00 17.81 C ATOM 1414 CG1 ILE A 255 -6.912 13.815 -0.084 1.00 19.46 C ATOM 1415 CG2 ILE A 255 -7.918 12.865 -2.186 1.00 18.65 C ATOM 1416 CD1 ILE A 255 -8.025 13.721 0.933 1.00 21.64 C ATOM 1417 H ILE A 255 -6.377 16.459 -1.063 1.00 0.00 H ATOM 1418 N ARG A 256 -7.202 15.926 -4.175 1.00 17.60 N ATOM 1419 CA ARG A 256 -7.428 16.226 -5.587 1.00 19.36 C ATOM 1420 C ARG A 256 -6.101 16.297 -6.362 1.00 18.73 C ATOM 1421 O ARG A 256 -5.929 15.643 -7.401 1.00 18.38 O ATOM 1422 CB ARG A 256 -8.192 17.545 -5.734 1.00 21.42 C ATOM 1423 CG ARG A 256 -8.285 18.062 -7.167 1.00 23.77 C ATOM 1424 CD ARG A 256 -8.361 19.598 -7.226 1.00 26.68 C ATOM 1425 NE ARG A 256 -7.226 20.236 -6.559 1.00 28.44 N ATOM 1426 CZ ARG A 256 -6.024 20.400 -7.106 1.00 29.22 C ATOM 1427 NH1 ARG A 256 -5.776 19.971 -8.340 1.00 29.81 N ATOM 1428 NH2 ARG A 256 -5.063 20.991 -6.412 1.00 28.60 N ATOM 1429 HE ARG A 256 -7.368 20.586 -5.590 1.00 0.00 H ATOM 1430 HH12 ARG A 256 -4.833 20.105 -8.757 1.00 0.00 H ATOM 1431 HH11 ARG A 256 -6.525 19.502 -8.888 1.00 0.00 H ATOM 1432 HH22 ARG A 256 -4.122 21.122 -6.834 1.00 0.00 H ATOM 1433 HH21 ARG A 256 -5.250 21.324 -5.445 1.00 0.00 H ATOM 1434 H ARG A 256 -7.588 16.561 -3.448 1.00 0.00 H ATOM 1435 N GLY A 257 -5.162 17.090 -5.850 1.00 17.83 N ATOM 1436 CA GLY A 257 -3.879 17.254 -6.511 1.00 18.11 C ATOM 1437 C GLY A 257 -3.147 15.945 -6.731 1.00 18.25 C ATOM 1438 O GLY A 257 -2.690 15.667 -7.844 1.00 19.02 O ATOM 1439 H GLY A 257 -5.350 17.600 -4.963 1.00 0.00 H ATOM 1440 N ILE A 258 -3.035 15.132 -5.684 1.00 17.44 N ATOM 1441 CA ILE A 258 -2.229 13.926 -5.801 1.00 17.17 C ATOM 1442 C ILE A 258 -2.946 12.873 -6.650 1.00 16.87 C ATOM 1443 O ILE A 258 -2.301 12.164 -7.425 1.00 16.46 O ATOM 1444 CB ILE A 258 -1.754 13.377 -4.427 1.00 17.08 C ATOM 1445 CG1 ILE A 258 -0.521 12.472 -4.598 1.00 16.84 C ATOM 1446 CG2 ILE A 258 -2.879 12.652 -3.702 1.00 17.05 C ATOM 1447 CD1 ILE A 258 0.748 13.222 -5.004 1.00 18.08 C ATOM 1448 H ILE A 258 -3.519 15.356 -4.791 1.00 0.00 H ATOM 1449 N GLN A 259 -4.274 12.799 -6.554 1.00 17.10 N ATOM 1450 CA GLN A 259 -5.012 11.837 -7.370 1.00 17.78 C ATOM 1451 C GLN A 259 -5.018 12.206 -8.857 1.00 19.39 C ATOM 1452 O GLN A 259 -5.251 11.350 -9.709 1.00 21.08 O ATOM 1453 CB GLN A 259 -6.438 11.623 -6.841 1.00 16.34 C ATOM 1454 CG GLN A 259 -6.461 10.878 -5.513 1.00 16.61 C ATOM 1455 CD GLN A 259 -7.791 10.181 -5.244 1.00 16.17 C ATOM 1456 OE1 GLN A 259 -8.849 10.587 -5.751 1.00 16.75 O ATOM 1457 NE2 GLN A 259 -7.740 9.111 -4.448 1.00 16.96 N ATOM 1458 HE22 GLN A 259 -6.831 8.806 -4.045 1.00 0.00 H ATOM 1459 HE21 GLN A 259 -8.609 8.582 -4.231 1.00 0.00 H ATOM 1460 H GLN A 259 -4.784 13.425 -5.899 1.00 0.00 H ATOM 1461 N SER A 260 -4.766 13.474 -9.164 1.00 19.47 N ATOM 1462 CA SER A 260 -4.666 13.898 -10.557 1.00 20.70 C ATOM 1463 C SER A 260 -3.331 13.465 -11.162 1.00 20.74 C ATOM 1464 O SER A 260 -3.198 13.330 -12.381 1.00 22.00 O ATOM 1465 CB SER A 260 -4.820 15.412 -10.667 1.00 21.41 C ATOM 1466 OG SER A 260 -4.647 15.831 -12.006 1.00 22.24 O ATOM 1467 HG SER A 260 -5.328 15.395 -12.577 1.00 0.00 H ATOM 1468 H SER A 260 -4.639 14.172 -8.403 1.00 0.00 H ATOM 1469 N LEU A 261 -2.346 13.254 -10.297 1.00 19.57 N ATOM 1470 CA LEU A 261 -1.015 12.831 -10.732 1.00 18.58 C ATOM 1471 C LEU A 261 -0.866 11.306 -10.824 1.00 18.98 C ATOM 1472 O LEU A 261 -0.160 10.814 -11.706 1.00 20.74 O ATOM 1473 CB LEU A 261 0.054 13.394 -9.799 1.00 18.96 C ATOM 1474 CG LEU A 261 0.239 14.909 -9.810 1.00 19.24 C ATOM 1475 CD1 LEU A 261 1.350 15.282 -8.860 1.00 19.52 C ATOM 1476 CD2 LEU A 261 0.565 15.396 -11.210 1.00 20.46 C ATOM 1477 H LEU A 261 -2.526 13.393 -9.282 1.00 0.00 H ATOM 1478 N TYR A 262 -1.513 10.570 -9.915 1.00 18.29 N ATOM 1479 CA TYR A 262 -1.358 9.114 -9.825 1.00 18.34 C ATOM 1480 C TYR A 262 -2.696 8.424 -9.722 1.00 20.28 C ATOM 1481 O TYR A 262 -3.560 8.865 -8.964 1.00 21.93 O ATOM 1482 CB TYR A 262 -0.524 8.737 -8.598 1.00 17.53 C ATOM 1483 CG TYR A 262 0.847 9.347 -8.637 1.00 15.93 C ATOM 1484 CD1 TYR A 262 1.874 8.752 -9.357 1.00 16.45 C ATOM 1485 CD2 TYR A 262 1.114 10.537 -7.969 1.00 15.68 C ATOM 1486 CE1 TYR A 262 3.122 9.321 -9.408 1.00 16.20 C ATOM 1487 CE2 TYR A 262 2.359 11.121 -8.025 1.00 15.83 C ATOM 1488 CZ TYR A 262 3.359 10.508 -8.742 1.00 15.74 C ATOM 1489 OH TYR A 262 4.607 11.079 -8.800 1.00 16.27 O ATOM 1490 HH TYR A 262 4.538 11.980 -9.204 1.00 0.00 H ATOM 1491 H TYR A 262 -2.150 11.048 -9.246 1.00 0.00 H ATOM 1492 N GLY A 263 -2.851 7.331 -10.469 1.00 19.63 N ATOM 1493 CA GLY A 263 -4.065 6.532 -10.428 1.00 20.93 C ATOM 1494 C GLY A 263 -5.076 6.897 -11.496 1.00 23.09 C ATOM 1495 O GLY A 263 -4.882 7.842 -12.263 1.00 23.95 O ATOM 1496 OXT GLY A 263 -6.118 6.254 -11.624 1.00 24.41 O ATOM 1497 H GLY A 263 -2.078 7.040 -11.102 1.00 0.00 H TER 1498 GLY A 263 HETATM 1499 ZN ZN A 1 6.790 23.847 -0.655 1.00 17.89 ZN HETATM 1500 ZN ZN A 2 18.800 21.331 -0.944 1.00 16.10 ZN HETATM 1501 CA CA A 3 16.514 11.091 -5.975 1.00 17.34 CA HETATM 1502 CA CA A 4 18.634 21.517 14.304 1.00 18.21 CA HETATM 1503 CA CA A 5 15.817 28.215 7.612 1.00 16.17 CA HETATM 1504 O HOH 6 10.160 34.201 0.691 1.00 44.47 O HETATM 1505 O HOH 7 16.372 6.793 -13.182 1.00 31.69 O HETATM 1506 O HOH 8 -6.497 21.406 6.715 1.00 52.29 O HETATM 1507 O HOH 9 -4.556 10.257 -12.194 1.00 34.25 O HETATM 1508 O HOH 10 -13.337 10.907 8.071 1.00 46.93 O HETATM 1509 O HOH 11 9.008 2.973 5.921 1.00 37.03 O HETATM 1510 O HOH 12 -10.626 13.337 4.972 1.00 28.50 O HETATM 1511 O HOH 13 7.208 12.721 20.976 1.00 39.91 O HETATM 1512 O HOH 14 12.713 27.817 13.062 1.00 27.71 O HETATM 1513 O HOH 15 22.531 23.719 12.576 1.00 49.32 O HETATM 1514 O HOH 16 17.263 23.716 -8.878 1.00 51.71 O HETATM 1515 O HOH 17 17.003 17.217 21.303 1.00 33.90 O HETATM 1516 O HOH 18 15.682 13.239 22.075 1.00 40.69 O HETATM 1517 O HOH 19 20.066 19.924 18.311 1.00 30.35 O HETATM 1518 O HOH 20 26.939 20.664 -6.162 1.00 55.99 O HETATM 1519 O HOH 21 18.257 4.481 8.568 1.00 40.97 O HETATM 1520 O HOH 22 16.918 15.003 -11.855 1.00 41.39 O HETATM 1521 O HOH 23 17.985 9.397 -5.245 1.00 16.04 O HETATM 1522 O HOH 24 10.468 22.970 -2.243 1.00 21.09 O HETATM 1523 O HOH 25 0.118 29.102 7.264 1.00 28.43 O HETATM 1524 O HOH 26 5.555 24.068 15.424 1.00 28.73 O HETATM 1525 O HOH 27 0.001 0.004 -6.357 1.00 36.47 O HETATM 1526 O HOH 28 3.003 7.166 -12.770 1.00 36.27 O HETATM 1527 O HOH 29 -6.634 24.357 -5.781 1.00 42.79 O HETATM 1528 O HOH 30 9.179 3.302 -20.531 1.00 53.39 O HETATM 1529 O HOH 31 21.879 4.755 8.857 1.00 45.41 O HETATM 1530 O HOH 32 7.299 1.689 -14.539 1.00 58.01 O HETATM 1531 O HOH 33 22.412 17.448 10.596 1.00 20.93 O HETATM 1532 O HOH 34 -0.823 3.667 3.130 1.00 27.30 O HETATM 1533 O HOH 35 -0.417 26.688 6.901 1.00 56.37 O HETATM 1534 O HOH 36 17.660 25.685 15.889 1.00 29.75 O HETATM 1535 O HOH 37 18.536 29.922 -4.904 1.00 28.02 O HETATM 1536 O HOH 38 -8.976 24.491 -2.540 1.00 43.46 O HETATM 1537 O HOH 39 17.159 3.629 12.028 1.00 40.67 O HETATM 1538 O HOH 40 28.726 25.575 6.106 1.00 30.51 O HETATM 1539 O HOH 41 9.030 26.664 12.552 1.00 28.97 O HETATM 1540 O HOH 42 24.030 28.448 8.991 1.00 23.13 O HETATM 1541 O HOH 43 19.665 5.323 6.506 1.00 20.58 O HETATM 1542 O HOH 44 9.001 -2.379 2.562 1.00 23.64 O HETATM 1543 O HOH 45 23.837 16.671 5.242 1.00 21.04 O HETATM 1544 O HOH 46 20.856 12.368 -4.594 1.00 27.85 O HETATM 1545 O HOH 47 4.676 13.117 16.789 1.00 44.17 O HETATM 1546 O HOH 48 6.443 -0.881 -0.331 1.00 25.59 O HETATM 1547 O HOH 49 6.321 2.505 14.259 1.00 41.17 O HETATM 1548 O HOH 50 18.253 11.583 15.092 1.00 25.21 O HETATM 1549 O HOH 51 21.269 14.160 19.508 1.00 52.28 O HETATM 1550 O HOH 52 -2.695 20.730 -2.523 1.00 18.39 O HETATM 1551 O HOH 53 6.990 28.288 0.918 1.00 39.45 O HETATM 1552 O HOH 54 13.611 2.313 -6.123 1.00 21.21 O HETATM 1553 O HOH 55 -2.414 17.308 -12.404 1.00 43.55 O HETATM 1554 O HOH 56 22.450 24.547 -1.288 1.00 15.53 O HETATM 1555 O HOH 57 -9.423 13.051 -6.725 1.00 19.18 O HETATM 1556 O HOH 58 19.919 14.946 -1.962 1.00 18.45 O HETATM 1557 O HOH 59 24.381 27.049 12.309 1.00 29.25 O HETATM 1558 O HOH 60 15.181 7.520 -8.969 1.00 19.04 O HETATM 1559 O HOH 61 15.955 10.037 -8.043 1.00 18.41 O HETATM 1560 O HOH 62 24.288 26.394 -2.542 1.00 24.94 O HETATM 1561 O HOH 63 5.048 21.297 22.530 1.00 49.76 O HETATM 1562 O HOH 64 13.008 12.783 19.515 1.00 31.20 O HETATM 1563 O HOH 65 -9.552 22.861 -4.295 1.00 41.48 O HETATM 1564 O HOH 66 11.226 5.682 8.154 1.00 17.27 O HETATM 1565 O HOH 67 -3.925 10.246 4.139 1.00 26.04 O HETATM 1566 O HOH 68 20.750 26.902 7.186 1.00 14.81 O HETATM 1567 O HOH 69 15.668 3.739 -7.609 1.00 40.72 O HETATM 1568 O HOH 70 16.320 29.158 -0.335 1.00 23.05 O HETATM 1569 O HOH 71 7.928 27.247 15.206 1.00 57.06 O HETATM 1570 O HOH 72 0.001 0.005 -9.002 1.00 38.00 O HETATM 1571 O HOH 73 27.914 25.946 3.406 1.00 16.80 O HETATM 1572 O HOH 74 13.358 -2.413 3.479 1.00 33.94 O HETATM 1573 O HOH 75 13.521 3.133 13.867 1.00 41.69 O HETATM 1574 O HOH 76 -4.649 4.186 -1.752 1.00 25.65 O HETATM 1575 O HOH 77 0.846 8.625 -13.068 1.00 18.07 O HETATM 1576 O HOH 78 5.134 4.624 5.148 1.00 16.05 O HETATM 1577 O HOH 79 12.640 25.541 14.405 1.00 26.35 O HETATM 1578 O HOH 80 13.359 22.576 -4.498 1.00 21.34 O HETATM 1579 O HOH 81 3.788 25.877 -6.911 1.00 36.31 O HETATM 1580 O HOH 82 -7.599 30.416 -0.973 1.00 48.29 O HETATM 1581 O HOH 83 21.691 4.681 4.851 1.00 42.23 O HETATM 1582 O HOH 84 13.586 17.357 -10.319 1.00 32.60 O HETATM 1583 O HOH 85 7.040 2.881 4.269 1.00 23.67 O HETATM 1584 O HOH 86 24.590 -3.199 0.503 1.00 48.41 O HETATM 1585 O HOH 87 -4.013 19.093 4.935 1.00 26.19 O HETATM 1586 O HOH 88 20.384 5.797 -2.127 1.00 20.08 O HETATM 1587 O HOH 89 10.737 4.313 14.368 1.00 28.57 O HETATM 1588 O HOH 90 13.157 17.615 19.267 1.00 19.67 O HETATM 1589 O HOH 91 -10.260 26.338 2.420 1.00 49.57 O HETATM 1590 O HOH 92 23.148 14.749 10.636 1.00 18.96 O HETATM 1591 O HOH 93 0.361 8.724 8.522 1.00 22.38 O HETATM 1592 O HOH 94 11.437 1.579 -7.708 1.00 18.19 O HETATM 1593 O HOH 95 22.947 13.492 14.390 1.00 33.52 O HETATM 1594 O HOH 96 18.229 33.301 11.557 1.00 32.81 O HETATM 1595 O HOH 97 -7.180 15.949 -13.181 1.00 26.42 O HETATM 1596 O HOH 98 15.569 33.946 12.488 1.00 58.93 O HETATM 1597 O HOH 99 7.531 19.212 -7.246 1.00 28.59 O HETATM 1598 O HOH 100 3.644 4.372 2.901 1.00 22.13 O HETATM 1599 O HOH 101 12.642 30.855 14.399 1.00 52.97 O HETATM 1600 O HOH 102 -10.070 15.837 4.243 1.00 36.84 O HETATM 1601 O HOH 103 11.675 7.890 21.072 1.00 32.96 O HETATM 1602 O HOH 104 4.506 29.494 -3.680 1.00 30.25 O HETATM 1603 O HOH 105 -0.006 12.151 -14.170 1.00 32.10 O HETATM 1604 O HOH 106 24.718 27.292 -6.126 1.00 46.78 O HETATM 1605 O HOH 107 19.189 10.895 -15.942 1.00 42.17 O HETATM 1606 O HOH 108 16.163 32.762 8.419 1.00 22.50 O HETATM 1607 O HOH 109 -7.823 6.835 2.059 1.00 18.73 O HETATM 1608 O HOH 110 -0.593 6.519 -12.025 1.00 20.87 O HETATM 1609 O HOH 111 9.708 20.993 -6.204 1.00 25.68 O HETATM 1610 O HOH 112 -5.383 18.137 12.639 1.00 50.84 O HETATM 1611 O HOH 113 -7.959 14.392 -8.935 1.00 19.40 O HETATM 1612 O HOH 114 0.105 20.953 -7.519 1.00 40.87 O HETATM 1613 O HOH 115 13.605 6.445 20.557 1.00 50.32 O HETATM 1614 O HOH 116 -2.131 7.665 7.966 1.00 44.63 O HETATM 1615 O HOH 117 -0.980 21.377 -4.620 1.00 24.53 O HETATM 1616 O HOH 118 8.329 11.176 15.725 1.00 34.55 O HETATM 1617 O HOH 119 18.957 8.147 -9.776 1.00 29.92 O HETATM 1618 O HOH 120 8.926 26.398 20.035 1.00 45.39 O HETATM 1619 O HOH 121 7.427 15.101 13.878 1.00 22.56 O HETATM 1620 O HOH 122 24.934 21.396 10.592 1.00 32.82 O HETATM 1621 O HOH 123 10.723 33.552 4.887 1.00 28.82 O HETATM 1622 O HOH 124 4.365 0.697 -11.328 1.00 31.83 O HETATM 1623 O HOH 125 -10.444 15.327 -2.678 1.00 25.97 O HETATM 1624 O HOH 126 17.107 4.824 5.376 1.00 15.74 O HETATM 1625 O HOH 127 12.013 20.229 -8.857 1.00 32.18 O HETATM 1626 O HOH 128 9.954 12.205 21.497 1.00 41.04 O HETATM 1627 O HOH 129 19.851 33.660 9.476 1.00 30.34 O HETATM 1628 O HOH 130 19.204 8.624 18.340 1.00 40.07 O HETATM 1629 O HOH 131 -5.655 13.909 -13.924 1.00 41.37 O HETATM 1630 O HOH 132 -5.757 18.292 9.729 1.00 47.40 O HETATM 1631 O HOH 133 20.598 30.263 12.645 1.00 38.66 O HETATM 1632 O HOH 134 10.708 32.973 9.856 1.00 46.92 O HETATM 1633 O HOH 135 11.934 18.520 21.665 1.00 28.27 O HETATM 1634 O HOH 136 5.101 14.394 15.091 1.00 41.05 O HETATM 1635 O HOH 137 22.541 19.048 -2.409 1.00 30.49 O HETATM 1636 O HOH 138 5.171 -0.098 1.803 1.00 43.00 O HETATM 1637 O HOH 139 18.417 23.178 16.056 1.00 23.13 O HETATM 1638 O HOH 140 3.677 2.296 1.304 1.00 24.61 O HETATM 1639 O HOH 141 9.350 33.146 7.061 1.00 33.89 O HETATM 1640 O HOH 142 5.007 4.124 -18.451 1.00 40.22 O HETATM 1641 O HOH 143 17.865 -1.774 3.042 1.00 31.11 O HETATM 1642 O HOH 144 21.001 14.837 -10.124 1.00 32.86 O HETATM 1643 O HOH 145 23.091 17.907 0.570 1.00 20.59 O HETATM 1644 O HOH 146 20.586 12.865 -12.681 1.00 53.45 O HETATM 1645 O HOH 147 9.971 6.677 -12.254 1.00 41.80 O HETATM 1646 O HOH 148 15.878 26.241 -0.037 1.00 22.93 O HETATM 1647 O HOH 149 12.786 16.238 -13.454 1.00 42.91 O HETATM 1648 O HOH 150 6.605 34.772 8.699 1.00 50.21 O HETATM 1649 O HOH 151 20.236 27.201 14.580 1.00 44.63 O HETATM 1650 O HOH 152 9.926 0.037 4.469 1.00 28.55 O HETATM 1651 O HOH 153 19.762 22.589 -7.571 1.00 30.87 O HETATM 1652 O HOH 154 10.791 16.271 19.753 1.00 28.88 O HETATM 1653 O HOH 155 1.747 3.841 13.118 1.00 55.53 O HETATM 1654 O HOH 156 13.187 4.260 -12.070 1.00 36.28 O HETATM 1655 O HOH 157 -3.671 11.438 8.052 1.00 44.70 O HETATM 1656 O HOH 158 -10.885 19.451 3.133 1.00 31.00 O HETATM 1657 O HOH 159 -5.065 12.213 5.493 1.00 30.09 O HETATM 1658 O HOH 160 14.329 8.000 -11.675 1.00 23.91 O HETATM 1659 O HOH 161 26.375 27.828 4.493 1.00 20.83 O HETATM 1660 O HOH 162 1.306 19.034 -10.037 1.00 36.97 O HETATM 1661 O HOH 163 -2.813 11.194 -14.470 1.00 44.13 O HETATM 1662 O HOH 164 23.448 10.947 10.682 1.00 22.03 O HETATM 1663 O HOH 165 12.252 26.706 17.244 1.00 40.72 O HETATM 1664 O HOH 166 3.935 2.752 6.918 1.00 30.16 O HETATM 1665 O HOH 167 3.270 -0.326 -6.096 1.00 25.75 O HETATM 1666 O HOH 168 -9.656 21.477 0.565 1.00 27.93 O HETATM 1667 O HOH 169 11.338 13.917 -14.613 1.00 42.35 O HETATM 1668 O HOH 170 10.320 10.799 -12.912 1.00 25.76 O HETATM 1669 O HOH 171 -1.460 18.037 -9.329 1.00 32.48 O HETATM 1670 O HOH 172 1.985 -2.310 1.138 1.00 24.01 O HETATM 1671 O HOH 173 9.257 3.824 11.887 1.00 21.08 O HETATM 1672 O HOH 174 -2.774 23.015 -6.172 1.00 44.47 O HETATM 1673 O HOH 175 9.576 4.442 -15.612 1.00 26.06 O HETATM 1674 O HOH 176 -10.940 26.942 4.613 1.00 55.53 O HETATM 1675 O HOH 177 21.835 7.232 7.763 1.00 36.21 O HETATM 1676 O HOH 178 13.326 2.282 10.400 1.00 37.67 O HETATM 1677 O HOH 179 -2.881 20.362 -9.320 1.00 48.23 O HETATM 1678 O HOH 180 21.836 8.567 14.471 1.00 40.54 O HETATM 1679 O HOH 181 4.466 25.067 21.598 1.00 51.25 O HETATM 1680 O HOH 182 21.919 28.366 13.490 1.00 50.11 O HETATM 1681 O HOH 183 -7.880 18.971 -10.430 1.00 46.40 O HETATM 1682 O HOH 184 26.583 18.573 -4.545 1.00 26.93 O HETATM 1683 O HOH 185 14.105 26.300 -2.280 1.00 24.80 O HETATM 1684 O HOH 186 18.091 13.851 20.496 1.00 47.61 O HETATM 1685 O HOH 187 -9.586 14.960 11.856 1.00 53.86 O HETATM 1686 O HOH 188 -2.563 28.525 6.723 1.00 56.28 O HETATM 1687 O HOH 189 20.965 21.732 14.930 1.00 21.75 O HETATM 1688 O HOH 190 6.672 0.037 -9.834 1.00 34.73 O HETATM 1689 O HOH 191 -6.006 3.650 -9.762 1.00 44.27 O HETATM 1690 O HOH 192 0.480 29.362 -3.390 1.00 41.81 O HETATM 1691 O HOH 193 -4.150 25.702 -5.741 1.00 43.54 O HETATM 1692 O HOH 194 14.687 0.148 8.111 1.00 52.67 O HETATM 1693 O HOH 195 21.857 7.888 -3.074 1.00 35.13 O HETATM 1694 O HOH 196 -4.966 3.031 0.663 1.00 23.05 O HETATM 1695 O HOH 197 11.780 8.811 23.785 1.00 47.70 O HETATM 1696 O HOH 198 25.920 27.578 7.089 1.00 24.23 O HETATM 1697 O HOH 199 6.880 -0.132 4.125 1.00 48.96 O HETATM 1698 O HOH 200 -1.002 14.733 21.642 1.00 58.60 O HETATM 1699 O HOH 201 1.356 0.702 1.258 1.00 38.15 O HETATM 1700 O HOH 202 20.201 -2.826 3.839 1.00 41.55 O HETATM 1701 O HOH 203 -6.116 3.565 2.620 1.00 43.70 O HETATM 1702 O HOH 204 3.554 14.449 20.375 1.00 48.17 O HETATM 1703 O HOH 205 11.805 24.852 20.336 1.00 53.55 O HETATM 1704 O HOH 206 -8.077 12.573 -11.152 1.00 24.35 O HETATM 1705 O HOH 207 -3.624 22.567 -9.115 1.00 51.11 O HETATM 1706 O HOH 208 2.929 21.790 -10.758 1.00 54.72 O HETATM 1707 O HOH 209 23.291 19.446 9.005 1.00 16.90 O HETATM 1708 O HOH 210 6.495 23.767 -6.228 1.00 52.66 O HETATM 1709 O HOH 211 21.338 10.378 -12.081 1.00 45.36 O HETATM 1710 O HOH 212 26.246 24.393 -5.048 1.00 53.20 O HETATM 1711 O HOH 213 -6.285 8.301 4.328 1.00 37.95 O HETATM 1712 O HOH 214 2.799 4.506 -13.671 1.00 46.83 O HETATM 1713 O HOH 215 11.641 20.695 23.068 1.00 42.35 O HETATM 1714 O HOH 216 15.974 17.405 -10.227 1.00 45.21 O HETATM 1715 O HOH 217 22.273 12.225 -6.823 1.00 55.31 O HETATM 1716 O HOH 218 12.077 24.723 -4.963 1.00 53.85 O HETATM 1717 O HOH 219 -2.636 1.069 -10.200 1.00 34.84 O HETATM 1718 O HOH 220 9.343 23.227 -4.771 1.00 26.14 O HETATM 1719 O HOH 221 4.344 -1.179 -8.402 1.00 32.11 O HETATM 1720 O HOH 222 20.068 6.065 18.045 1.00 62.60 O HETATM 1721 O HOH 223 -6.346 11.594 -13.433 1.00 47.72 O HETATM 1722 O HOH 224 13.455 22.313 -7.558 1.00 32.57 O HETATM 1723 O HOH 225 11.434 -1.978 5.195 1.00 49.88 O HETATM 1724 O HOH 226 -4.851 2.406 -5.293 1.00 25.14 O HETATM 1725 O HOH 227 2.613 2.036 -13.166 1.00 50.89 O HETATM 1726 O HOH 228 22.472 16.464 -1.769 1.00 28.99 O HETATM 1727 O HOH 229 -8.335 3.164 -11.239 1.00 31.22 O HETATM 1728 O HOH 230 12.286 6.471 -12.145 1.00 42.14 O HETATM 1729 O HOH 231 23.537 8.475 9.388 1.00 45.88 O HETATM 1730 O HOH 232 7.684 25.287 -4.878 1.00 48.78 O HETATM 1731 O HOH 233 19.206 18.926 20.856 1.00 32.99 O HETATM 1732 O HOH 234 -6.487 4.654 5.154 1.00 50.29 O HETATM 1733 O HOH 235 11.681 5.300 -16.129 1.00 44.36 O HETATM 1734 O HOH 236 28.520 27.909 7.503 1.00 28.22 O HETATM 1735 O HOH 237 20.876 9.648 -5.291 1.00 31.68 O HETATM 1736 O HOH 238 10.976 3.321 9.552 1.00 23.65 O HETATM 1737 O HOH 239 20.466 10.383 15.855 1.00 36.70 O HETATM 1738 O HOH 240 19.778 22.718 18.556 1.00 30.39 O HETATM 1739 O HOH 241 -5.418 4.184 7.175 1.00 53.55 O HETATM 1740 O HOH 242 10.548 19.562 -11.059 1.00 50.06 O HETATM 1741 O HOH 243 10.855 4.255 -13.459 1.00 51.30 O HETATM 1742 O HOH 244 4.423 26.623 15.448 1.00 44.75 O HETATM 1743 O HOH 245 8.445 -0.150 9.454 1.00 50.75 O HETATM 1744 O HOH 246 -8.456 16.414 -10.709 1.00 22.43 O HETATM 1745 O HOH 247 11.846 0.472 -11.547 1.00 32.61 O HETATM 1746 O HOH 248 23.606 10.645 13.521 1.00 47.41 O HETATM 1747 O HOH 249 -3.340 3.120 -11.624 1.00 40.04 O HETATM 1748 O HOH 250 -5.793 2.187 -2.662 1.00 25.25 O HETATM 1749 O HOH 251 0.799 9.188 -15.672 1.00 50.34 O HETATM 1750 O HOH 252 11.409 25.631 -2.560 1.00 30.65 O HETATM 1751 O HOH 253 23.471 31.109 9.434 1.00 23.85 O HETATM 1752 O HOH 254 17.360 5.726 -9.482 1.00 35.62 O HETATM 1753 O HOH 255 24.131 18.139 12.703 1.00 21.49 O HETATM 1754 O HOH 256 22.030 12.187 16.882 1.00 50.52 O HETATM 1755 O HOH 257 10.775 22.746 22.122 1.00 51.60 O HETATM 1756 O HOH 258 6.282 12.627 -21.894 1.00 30.26 O HETATM 1757 O HOH 259 21.842 -2.390 5.591 1.00 49.45 O HETATM 1758 O HOH 260 7.111 30.534 -3.690 1.00 52.12 O HETATM 1759 O HOH 261 -9.135 19.950 5.509 1.00 27.03 O HETATM 1760 O HOH 262 -1.651 5.387 -14.237 1.00 38.24 O HETATM 1761 O HOH 263 23.408 20.289 14.263 1.00 22.54 O HETATM 1762 O HOH 264 10.153 1.294 7.815 1.00 31.08 O HETATM 1763 O HOH 265 11.957 26.483 -7.060 1.00 47.62 O HETATM 1764 O HOH 266 24.729 15.968 14.411 1.00 24.59 O HETATM 1765 O HOH 267 0.988 1.261 4.157 1.00 48.31 O HETATM 1766 O HOH 268 -8.848 15.378 19.404 1.00 40.04 O HETATM 1767 O HOH 269 12.183 -0.546 7.398 1.00 31.02 O HETATM 1768 O HOH 270 -10.391 17.468 13.379 1.00 50.69 O HETATM 1769 O HOH 271 6.388 -0.359 -12.418 1.00 41.13 O HETATM 1770 O HOH 272 -6.780 22.491 9.074 1.00 49.04 O HETATM 1771 O HOH 273 10.410 1.257 -13.662 1.00 53.49 O HETATM 1772 O HOH 274 22.696 19.557 18.488 1.00 43.78 O HETATM 1773 O HOH 275 -1.292 10.500 9.956 1.00 52.94 O HETATM 1774 O HOH 276 17.516 36.014 11.952 1.00 51.35 O HETATM 1775 O HOH 277 -10.322 17.916 17.640 1.00 56.47 O HETATM 1776 O HOH 278 8.662 -0.375 -11.154 1.00 48.04 O HETATM 1777 O HOH 279 18.036 24.508 19.980 1.00 48.18 O HETATM 1778 C4 UNN A 280 1.259 23.748 5.421 1.00 -0.05 C HETATM 1779 C5 UNN A 280 2.593 23.851 5.099 1.00 -0.05 C HETATM 1780 C6 UNN A 280 3.566 23.225 5.855 1.00 -0.01 C HETATM 1781 C7 UNN A 280 5.008 23.356 5.493 1.00 0.04 C HETATM 1782 C8 UNN A 280 5.592 24.227 4.565 1.00 -0.03 C HETATM 1783 C9 UNN A 280 6.909 23.983 4.603 1.00 0.14 C HETATM 1784 C71 UNN A 280 8.134 24.500 3.899 1.00 0.04 C HETATM 1785 C19 UNN A 280 8.071 25.914 3.322 1.00 0.08 C HETATM 1786 C20 UNN A 280 8.587 26.923 4.280 1.00 0.19 C HETATM 1787 N25 UNN A 280 7.922 28.061 4.313 1.00 -0.27 N HETATM 1788 C26 UNN A 280 8.384 29.128 5.174 1.00 0.13 C HETATM 1789 C27 UNN A 280 7.653 29.230 6.470 1.00 0.20 C HETATM 1790 N28 UNN A 280 8.393 29.684 7.469 1.00 -0.26 N HETATM 1791 C29 UNN A 280 7.828 29.854 8.788 1.00 0.13 C HETATM 1792 C40 UNN A 280 8.899 30.367 9.740 1.00 -0.00 C HETATM 1793 C41 UNN A 280 8.710 29.803 11.141 1.00 0.00 C HETATM 1794 C42 UNN A 280 10.013 29.909 11.893 1.00 0.04 C HETATM 1795 O44 UNN A 280 10.608 28.857 12.206 1.00 -0.57 O HETATM 1796 O43 UNN A 280 10.442 31.049 12.175 1.00 -0.57 O HETATM 1797 H5 UNN A 280 7.933 30.376 11.668 1.00 0.04 H HETATM 1798 H6 UNN A 280 8.407 28.748 11.076 1.00 0.04 H HETATM 1799 H7 UNN A 280 9.887 30.066 9.363 1.00 0.03 H HETATM 1800 H8 UNN A 280 8.842 31.465 9.785 1.00 0.03 H HETATM 1801 C37 UNN A 280 6.682 30.815 8.717 1.00 0.20 C HETATM 1802 N39 UNN A 280 6.871 31.910 7.987 1.00 -0.30 N HETATM 1803 H10 UNN A 280 6.140 32.587 7.903 1.00 0.18 H HETATM 1804 H11 UNN A 280 7.744 32.056 7.521 1.00 0.18 H HETATM 1805 O38 UNN A 280 5.637 30.571 9.290 1.00 -0.39 O HETATM 1806 H9 UNN A 280 7.460 28.884 9.152 1.00 0.08 H HETATM 1807 H12 UNN A 280 9.354 29.912 7.309 1.00 0.19 H HETATM 1808 O36 UNN A 280 6.482 28.919 6.576 1.00 -0.39 O HETATM 1809 C31 UNN A 280 8.326 30.448 4.415 1.00 -0.00 C HETATM 1810 C32 UNN A 280 9.389 30.516 3.323 1.00 0.00 C HETATM 1811 C33 UNN A 280 9.072 31.604 2.325 1.00 0.04 C HETATM 1812 O35 UNN A 280 9.749 32.647 2.349 1.00 -0.57 O HETATM 1813 O34 UNN A 280 8.151 31.416 1.509 1.00 -0.57 O HETATM 1814 H16 UNN A 280 9.430 29.549 2.800 1.00 0.04 H HETATM 1815 H17 UNN A 280 10.366 30.725 3.784 1.00 0.04 H HETATM 1816 H14 UNN A 280 8.488 31.274 5.123 1.00 0.03 H HETATM 1817 H15 UNN A 280 7.333 30.551 3.953 1.00 0.03 H HETATM 1818 H13 UNN A 280 9.437 28.921 5.415 1.00 0.08 H HETATM 1819 H18 UNN A 280 7.106 28.185 3.748 1.00 0.19 H HETATM 1820 O30 UNN A 280 9.586 26.710 4.934 1.00 -0.40 O HETATM 1821 C21 UNN A 280 9.033 26.087 2.144 1.00 0.06 C HETATM 1822 C22 UNN A 280 8.603 25.192 1.007 1.00 0.20 C HETATM 1823 N24 UNN A 280 9.302 24.079 0.855 1.00 -0.16 N HETATM 1824 O24 UNN A 280 8.929 23.216 -0.165 1.00 -0.27 O HETATM 1825 H23 UNN A 280 9.506 22.461 -0.167 1.00 0.25 H HETATM 1826 H22 UNN A 280 10.073 23.867 1.455 1.00 0.22 H HETATM 1827 O23 UNN A 280 7.658 25.476 0.303 1.00 -0.40 O HETATM 1828 H20 UNN A 280 10.051 25.816 2.459 1.00 0.05 H HETATM 1829 H21 UNN A 280 9.020 27.135 1.811 1.00 0.05 H HETATM 1830 H19 UNN A 280 7.035 26.139 3.027 1.00 0.06 H HETATM 1831 H24 UNN A 280 8.964 24.475 4.620 1.00 0.05 H HETATM 1832 H25 UNN A 280 8.350 23.814 3.067 1.00 0.05 H HETATM 1833 O10 UNN A 280 7.171 23.013 5.466 1.00 -0.17 O HETATM 1834 N11 UNN A 280 5.943 22.631 6.048 1.00 -0.15 N HETATM 1835 H3 UNN A 280 5.079 24.956 3.939 1.00 0.03 H HETATM 1836 C1 UNN A 280 3.181 22.471 6.960 1.00 -0.05 C HETATM 1837 C2 UNN A 280 1.833 22.359 7.295 1.00 -0.05 C HETATM 1838 C3 UNN A 280 0.879 23.002 6.518 1.00 -0.02 C HETATM 1839 C12 UNN A 280 -0.570 22.932 6.808 1.00 -0.02 C HETATM 1840 C17 UNN A 280 -1.146 21.743 7.202 1.00 -0.04 C HETATM 1841 C16 UNN A 280 -2.506 21.710 7.456 1.00 0.04 C HETATM 1842 C15 UNN A 280 -3.292 22.841 7.317 1.00 -0.05 C HETATM 1843 C14 UNN A 280 -2.712 24.032 6.917 1.00 -0.06 C HETATM 1844 C13 UNN A 280 -1.351 24.070 6.660 1.00 -0.05 C HETATM 1845 H28 UNN A 280 -0.891 24.998 6.340 1.00 0.06 H HETATM 1846 H29 UNN A 280 -3.316 24.925 6.806 1.00 0.06 H HETATM 1847 H30 UNN A 280 -4.356 22.794 7.520 1.00 0.06 H HETATM 1848 CL UNN A 280 -3.218 20.219 7.951 1.00 -0.07 CL HETATM 1849 H27 UNN A 280 -0.543 20.849 7.311 1.00 0.06 H HETATM 1850 H4 UNN A 280 1.531 21.774 8.156 1.00 0.06 H HETATM 1851 H26 UNN A 280 3.931 21.970 7.561 1.00 0.06 H HETATM 1852 H2 UNN A 280 2.887 24.435 4.234 1.00 0.06 H HETATM 1853 H1 UNN A 280 0.512 24.250 4.817 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 219 218 1502 CONECT 220 218 1502 CONECT 558 557 1501 CONECT 653 651 652 1500 CONECT 666 665 1500 CONECT 714 712 1503 CONECT 719 718 1503 CONECT 737 736 1503 CONECT 747 746 1503 CONECT 777 775 776 1500 CONECT 825 824 1501 CONECT 839 838 1501 CONECT 853 851 1501 CONECT 867 866 869 1500 CONECT 896 895 1502 CONECT 901 899 1502 CONECT 1079 1077 1078 1499 CONECT 1114 1112 1113 1499 CONECT 1161 1159 1160 1499 CONECT 1499 1079 1114 1161 CONECT 1500 653 666 777 867 CONECT 1501 558 825 839 853 CONECT 1502 219 220 896 901 CONECT 1503 714 719 737 747 CONECT 1778 1779 1838 1853 CONECT 1779 1778 1780 1852 CONECT 1780 1779 1781 1836 CONECT 1781 1780 1782 1834 CONECT 1782 1781 1783 1835 CONECT 1783 1782 1784 1833 CONECT 1784 1783 1785 1831 1832 CONECT 1785 1784 1786 1821 1830 CONECT 1786 1785 1787 1820 CONECT 1787 1786 1788 1819 CONECT 1788 1787 1789 1809 1818 CONECT 1789 1788 1790 1808 CONECT 1790 1789 1791 1807 CONECT 1791 1790 1792 1801 1806 CONECT 1792 1791 1793 1799 1800 CONECT 1793 1792 1794 1797 1798 CONECT 1794 1793 1795 1796 CONECT 1795 1794 CONECT 1796 1794 CONECT 1797 1793 CONECT 1798 1793 CONECT 1799 1792 CONECT 1800 1792 CONECT 1801 1791 1802 1805 CONECT 1802 1801 1803 1804 CONECT 1803 1802 CONECT 1804 1802 CONECT 1805 1801 CONECT 1806 1791 CONECT 1807 1790 CONECT 1808 1789 CONECT 1809 1788 1810 1816 1817 CONECT 1810 1809 1811 1814 1815 CONECT 1811 1810 1812 1813 CONECT 1812 1811 CONECT 1813 1811 CONECT 1814 1810 CONECT 1815 1810 CONECT 1816 1809 CONECT 1817 1809 CONECT 1818 1788 CONECT 1819 1787 CONECT 1820 1786 CONECT 1821 1785 1822 1828 1829 CONECT 1822 1821 1823 1827 CONECT 1823 1822 1824 1826 CONECT 1824 1823 1825 CONECT 1825 1824 CONECT 1826 1823 CONECT 1827 1822 CONECT 1828 1821 CONECT 1829 1821 CONECT 1830 1785 CONECT 1831 1784 CONECT 1832 1784 CONECT 1833 1783 1834 CONECT 1834 1781 1833 CONECT 1835 1782 CONECT 1836 1780 1837 1851 CONECT 1837 1836 1838 1850 CONECT 1838 1778 1837 1839 CONECT 1839 1838 1840 1844 CONECT 1840 1839 1841 1849 CONECT 1841 1840 1842 1848 CONECT 1842 1841 1843 1847 CONECT 1843 1842 1844 1846 CONECT 1844 1839 1843 1845 CONECT 1845 1844 CONECT 1846 1843 CONECT 1847 1842 CONECT 1848 1841 CONECT 1849 1840 CONECT 1850 1837 CONECT 1851 1836 CONECT 1852 1779 CONECT 1853 1778 MASTER 0 0 0 0 0 0 0 0 1852 1 104 13 END
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Pocket-Ligand
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Related entries of code: 5d3c
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1jiz
RCSB PDB
PDBbind
166aa, >1JIZ_1|Chains... *
1rmz
RCSB PDB
PDBbind
159aa, >1RMZ_1|Chain... at 98%
1ros
RCSB PDB
PDBbind
163aa, >1ROS_1|Chains... at 97%
1utt
RCSB PDB
PDBbind
159aa, >1UTT_1|Chain... at 100%
1utz
RCSB PDB
PDBbind
159aa, >1UTZ_1|Chains... at 100%
1ycm
RCSB PDB
PDBbind
159aa, >1YCM_1|Chain... at 98%
1z3j
RCSB PDB
PDBbind
159aa, >1Z3J_1|Chain... at 98%
2hu6
RCSB PDB
PDBbind
159aa, >2HU6_1|Chain... at 98%
2k2g
RCSB PDB
PDBbind
165aa, >2K2G_1|Chain... at 99%
2w0d
RCSB PDB
PDBbind
164aa, >2W0D_1|Chains... at 95%
2wo8
RCSB PDB
PDBbind
164aa, >2WO8_1|Chains... at 96%
2wo9
RCSB PDB
PDBbind
164aa, >2WO9_1|Chains... at 96%
2woa
RCSB PDB
PDBbind
164aa, >2WOA_1|Chains... at 96%
3ehx
RCSB PDB
PDBbind
158aa, >3EHX_1|Chain... at 99%
3ehy
RCSB PDB
PDBbind
158aa, >3EHY_1|Chain... at 99%
3f15
RCSB PDB
PDBbind
158aa, >3F15_1|Chain... at 99%
3f16
RCSB PDB
PDBbind
158aa, >3F16_1|Chain... at 99%
3f17
RCSB PDB
PDBbind
158aa, >3F17_1|Chain... at 99%
3f18
RCSB PDB
PDBbind
158aa, >3F18_1|Chain... at 99%
3f19
RCSB PDB
PDBbind
158aa, >3F19_1|Chain... at 99%
3f1a
RCSB PDB
PDBbind
158aa, >3F1A_1|Chain... at 99%
3lik
RCSB PDB
PDBbind
159aa, >3LIK_1|Chain... at 98%
3lil
RCSB PDB
PDBbind
159aa, >3LIL_1|Chain... at 98%
3lir
RCSB PDB
PDBbind
159aa, >3LIR_1|Chain... at 98%
3ljg
RCSB PDB
PDBbind
159aa, >3LJG_1|Chain... at 98%
3lk8
RCSB PDB
PDBbind
158aa, >3LK8_1|Chain... at 99%
3lka
RCSB PDB
PDBbind
158aa, >3LKA_1|Chain... at 99%
3n2u
RCSB PDB
PDBbind
158aa, >3N2U_1|Chain... at 99%
3n2v
RCSB PDB
PDBbind
158aa, >3N2V_1|Chain... at 99%
3nx7
RCSB PDB
PDBbind
158aa, >3NX7_1|Chain... at 99%
3ts4
RCSB PDB
PDBbind
159aa, >3TS4_1|Chain... at 98%
3tsk
RCSB PDB
PDBbind
159aa, >3TSK_1|Chain... at 98%
4efs
RCSB PDB
PDBbind
159aa, >4EFS_1|Chain... at 98%
4gql
RCSB PDB
PDBbind
159aa, >4GQL_1|Chain... at 98%
4gr0
RCSB PDB
PDBbind
159aa, >4GR0_1|Chain... at 98%
4gr3
RCSB PDB
PDBbind
159aa, >4GR3_1|Chain... at 98%
4gr8
RCSB PDB
PDBbind
152aa, >4GR8_1|Chain... at 99%
5cxa
RCSB PDB
PDBbind
159aa, >5CXA_1|Chain... at 98%
5czm
RCSB PDB
PDBbind
159aa, >5CZM_1|Chain... at 98%
5i0l
RCSB PDB
PDBbind
159aa, >5I0L_1|Chains... at 98%
5i2z
RCSB PDB
PDBbind
159aa, >5I2Z_1|Chains... at 98%
5i3m
RCSB PDB
PDBbind
159aa, >5I3M_1|Chains... at 98%
5i43
RCSB PDB
PDBbind
159aa, >5I43_1|Chains... at 98%
5i4o
RCSB PDB
PDBbind
159aa, >5I4O_1|Chains... at 98%
5l7f
RCSB PDB
PDBbind
159aa, >5L7F_1|Chains... at 98%
6ekn
RCSB PDB
PDBbind
159aa, >6EKN_1|Chain... at 98%
6ela
RCSB PDB
PDBbind
159aa, >6ELA_1|Chains... at 98%
6enm
RCSB PDB
PDBbind
159aa, >6ENM_1|Chains... at 98%
6eox
RCSB PDB
PDBbind
159aa, >6EOX_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5d3c
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
catalytic domain of Human MMP12 Mutation: F171D, K241A
Ligand Name
56O
EC.Number
E.C.3.4.24.65
Resolution
1.31(Å)
Affinity (Kd/Ki/IC50)
Kd=40pM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 403-414
Ligand Properties
Formula
C
3
0
H
3
2
ClN
5
O
1
0
Molecular Weight
658.056
Exact Mass
657.184
No. of atoms
78
No. of bonds
80
Polar Surface Area
251.25
LOGP Value
3.58 (
Computed with XLOGP3
)
3.77 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
ONC(=O)C[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC(=O)O)CCC(=O)O)Cc1onc(c1)c1ccc(cc1)c1cccc(c1)Cl
InChI String
InChI=1S/C30H32ClN5O10/c31-20-3-1-2-18(12-20)16-4-6-17(7-5-16)24-15-21(46-36-24)13-19(14-25(37)35-45)29(43)34-23(9-11-27(40)41)30(44)33-22(28(32)42)8-10-26(38)39/h1-7,12,15,19,22-23,45H,8-11,13-14H2,(H2,32,42)(H,33,44)(H,34,43)(H,35,37)(H,38,39)(H,40,41)/t19-,22+,23+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P39900
Entrez Gene ID
NCBI Entrez Gene ID:
4321
ASD
Information of known allosteric effects of PDB entries
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