Browse entries in the PDBbind-CN Database
HEADER 5B5O_COMPLEX COMPND 5B5O_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 145 TYR ASN VAL PHE PRO ARG THR LEU LYS TRP SER LYS MET SEQRES 2 A 145 ASN LEU THR TYR ARG ILE VAL ASN TYR THR PRO ASP MET SEQRES 3 A 145 THR HIS SER GLU VAL GLU LYS ALA PHE LYS LYS ALA PHE SEQRES 4 A 145 LYS VAL TRP SER ASP VAL THR PRO LEU ASN PHE THR ARG SEQRES 5 A 145 LEU HIS ASP GLY ILE ALA ASP ILE MET ILE SER PHE GLY SEQRES 6 A 145 ILE LYS GLU HIS GLY ASP PHE TYR PRO PHE ASP GLY PRO SEQRES 7 A 145 SER GLY LEU LEU ALA HIS ALA PHE PRO PRO GLY PRO ASN SEQRES 8 A 145 TYR GLY GLY ASP ALA HIS PHE ASP ASP ASP GLU THR TRP SEQRES 9 A 145 THR SER SER SER LYS GLY TYR ASN LEU PHE LEU VAL ALA SEQRES 10 A 145 ALA HIS GLU PHE GLY HIS SER LEU GLY LEU ASP HIS SER SEQRES 11 A 145 LYS ASP PRO GLY ALA LEU MET PHE PRO ILE TYR THR TYR SEQRES 12 A 145 THR GLY SEQRES 1 A 22 PHE MET LEU PRO ASP ASP ASP VAL GLN GLY ILE GLN SER SEQRES 2 A 22 LEU TYR GLY PRO GLY ASP GLU ASP PRO HET ZN A 1 1 HET ZN A 2 1 HET CA A 3 1 HET CA A 4 1 HET NA A 5 1 HET WMM A 461 30 ATOM 1 N TYR A 104 -19.525 -11.425 26.374 1.00 15.46 N ATOM 2 CA TYR A 104 -19.239 -10.304 25.429 1.00 15.46 C ATOM 3 C TYR A 104 -18.038 -9.524 25.925 1.00 15.94 C ATOM 4 O TYR A 104 -17.636 -9.641 27.092 1.00 16.95 O ATOM 5 CB TYR A 104 -20.446 -9.363 25.323 1.00 16.48 C ATOM 6 CG TYR A 104 -20.790 -8.624 26.608 1.00 16.19 C ATOM 7 CD1 TYR A 104 -20.125 -7.445 26.975 1.00 18.14 C ATOM 8 CD2 TYR A 104 -21.800 -9.089 27.445 1.00 19.79 C ATOM 9 CE1 TYR A 104 -20.453 -6.762 28.151 1.00 20.90 C ATOM 10 CE2 TYR A 104 -22.134 -8.411 28.619 1.00 22.50 C ATOM 11 CZ TYR A 104 -21.456 -7.254 28.961 1.00 20.90 C ATOM 12 OH TYR A 104 -21.790 -6.591 30.122 1.00 23.23 O ATOM 13 HH TYR A 104 -22.740 -6.315 30.082 1.00 0.00 H ATOM 14 HN3 TYR A 104 -19.726 -11.038 27.318 1.00 0.00 H ATOM 15 HN2 TYR A 104 -18.698 -12.054 26.425 1.00 0.00 H ATOM 16 HN1 TYR A 104 -20.349 -11.961 26.035 1.00 0.00 H ATOM 17 N ASN A 105 -17.478 -8.710 25.043 1.00 16.29 N ATOM 18 CA ASN A 105 -16.409 -7.796 25.394 1.00 16.06 C ATOM 19 C ASN A 105 -16.606 -6.474 24.678 1.00 16.75 C ATOM 20 O ASN A 105 -16.817 -6.453 23.472 1.00 16.96 O ATOM 21 CB ASN A 105 -15.049 -8.378 24.994 1.00 16.23 C ATOM 22 CG ASN A 105 -14.673 -9.604 25.808 1.00 16.45 C ATOM 23 OD1 ASN A 105 -14.687 -10.728 25.304 1.00 19.95 O ATOM 24 ND2 ASN A 105 -14.334 -9.390 27.073 1.00 17.20 N ATOM 25 HD22 ASN A 105 -14.337 -8.423 27.456 1.00 0.00 H ATOM 26 HD21 ASN A 105 -14.066 -10.189 27.682 1.00 0.00 H ATOM 27 H ASN A 105 -17.818 -8.727 24.060 1.00 0.00 H ATOM 28 N VAL A 106 -16.550 -5.370 25.410 1.00 14.88 N ATOM 29 CA VAL A 106 -16.473 -4.061 24.772 1.00 15.79 C ATOM 30 C VAL A 106 -14.990 -3.747 24.534 1.00 15.53 C ATOM 31 O VAL A 106 -14.110 -4.408 25.105 1.00 16.04 O ATOM 32 CB VAL A 106 -17.174 -2.964 25.618 1.00 16.04 C ATOM 33 CG1 VAL A 106 -18.663 -3.293 25.802 1.00 18.19 C ATOM 34 CG2 VAL A 106 -16.484 -2.779 26.976 1.00 16.40 C ATOM 35 H VAL A 106 -16.561 -5.438 26.448 1.00 0.00 H ATOM 36 N PHE A 107 -14.697 -2.763 23.687 1.00 16.77 N ATOM 37 CA PHE A 107 -13.304 -2.370 23.457 1.00 17.44 C ATOM 38 C PHE A 107 -12.660 -1.758 24.710 1.00 19.40 C ATOM 39 O PHE A 107 -13.359 -1.213 25.570 1.00 19.37 O ATOM 40 CB PHE A 107 -13.195 -1.394 22.282 1.00 16.72 C ATOM 41 CG PHE A 107 -13.407 -2.031 20.926 1.00 14.79 C ATOM 42 CD1 PHE A 107 -14.446 -1.609 20.103 1.00 16.17 C ATOM 43 CD2 PHE A 107 -12.561 -3.039 20.463 1.00 15.42 C ATOM 44 CE1 PHE A 107 -14.642 -2.178 18.842 1.00 17.42 C ATOM 45 CE2 PHE A 107 -12.748 -3.613 19.206 1.00 15.49 C ATOM 46 CZ PHE A 107 -13.794 -3.181 18.393 1.00 17.14 C ATOM 47 H PHE A 107 -15.462 -2.269 23.185 1.00 0.00 H ATOM 48 N PRO A 108 -11.325 -1.879 24.842 1.00 20.75 N ATOM 49 CA PRO A 108 -10.603 -1.160 25.898 1.00 23.46 C ATOM 50 C PRO A 108 -10.864 0.351 25.900 1.00 25.16 C ATOM 51 O PRO A 108 -11.062 0.952 24.843 1.00 23.47 O ATOM 52 CB PRO A 108 -9.138 -1.448 25.563 1.00 23.77 C ATOM 53 CG PRO A 108 -9.173 -2.775 24.894 1.00 23.37 C ATOM 54 CD PRO A 108 -10.422 -2.738 24.054 1.00 21.53 C ATOM 55 N ARG A 109 -10.859 0.944 27.095 1.00 29.09 N ATOM 56 CA ARG A 109 -11.112 2.378 27.280 1.00 31.51 C ATOM 57 C ARG A 109 -9.945 3.214 26.766 1.00 30.10 C ATOM 58 O ARG A 109 -10.111 4.364 26.350 1.00 32.10 O ATOM 59 CB ARG A 109 -11.355 2.698 28.761 1.00 33.08 C ATOM 60 CG ARG A 109 -12.549 1.988 29.383 1.00 36.84 C ATOM 61 CD ARG A 109 -12.837 2.506 30.786 1.00 41.55 C ATOM 62 NE ARG A 109 -14.178 2.138 31.240 1.00 46.27 N ATOM 63 CZ ARG A 109 -14.704 2.482 32.415 1.00 48.23 C ATOM 64 NH1 ARG A 109 -14.010 3.211 33.281 1.00 48.68 N ATOM 65 NH2 ARG A 109 -15.935 2.095 32.726 1.00 48.37 N ATOM 66 HE ARG A 109 -14.764 1.566 30.599 1.00 0.00 H ATOM 67 HH12 ARG A 109 -14.431 3.473 34.195 1.00 0.00 H ATOM 68 HH11 ARG A 109 -13.045 3.520 33.045 1.00 0.00 H ATOM 69 HH22 ARG A 109 -16.348 2.362 33.642 1.00 0.00 H ATOM 70 HH21 ARG A 109 -16.486 1.525 32.053 1.00 0.00 H ATOM 71 H ARG A 109 -10.667 0.363 27.936 1.00 0.00 H ATOM 72 N THR A 110 -8.759 2.623 26.804 1.00 28.79 N ATOM 73 CA THR A 110 -7.553 3.303 26.393 1.00 24.76 C ATOM 74 C THR A 110 -6.781 2.392 25.447 1.00 21.68 C ATOM 75 O THR A 110 -6.821 1.166 25.568 1.00 21.77 O ATOM 76 CB THR A 110 -6.694 3.712 27.619 1.00 25.30 C ATOM 77 OG1 THR A 110 -7.550 4.150 28.684 1.00 29.45 O ATOM 78 CG2 THR A 110 -5.756 4.842 27.259 1.00 25.25 C ATOM 79 HG1 THR A 110 -6.998 4.410 29.464 1.00 0.00 H ATOM 80 H THR A 110 -8.695 1.641 27.140 1.00 0.00 H ATOM 81 N LEU A 111 -6.113 3.004 24.481 1.00 17.66 N ATOM 82 CA LEU A 111 -5.345 2.275 23.480 1.00 16.70 C ATOM 83 C LEU A 111 -4.027 1.737 24.047 1.00 15.16 C ATOM 84 O LEU A 111 -3.199 2.495 24.558 1.00 15.93 O ATOM 85 CB LEU A 111 -5.074 3.175 22.281 1.00 18.54 C ATOM 86 CG LEU A 111 -4.476 2.538 21.030 1.00 18.40 C ATOM 87 CD1 LEU A 111 -5.352 1.382 20.517 1.00 19.11 C ATOM 88 CD2 LEU A 111 -4.312 3.595 19.958 1.00 21.48 C ATOM 89 H LEU A 111 -6.137 4.043 24.435 1.00 0.00 H ATOM 90 N LYS A 112 -3.823 0.429 23.946 1.00 13.04 N ATOM 91 CA LYS A 112 -2.633 -0.210 24.509 1.00 11.05 C ATOM 92 C LYS A 112 -2.542 -1.620 23.968 1.00 10.57 C ATOM 93 O LYS A 112 -3.520 -2.145 23.432 1.00 11.76 O ATOM 94 CB LYS A 112 -2.702 -0.240 26.041 1.00 11.31 C ATOM 95 CG LYS A 112 -3.905 -1.013 26.602 1.00 15.22 C ATOM 96 CD LYS A 112 -3.923 -0.995 28.133 1.00 21.21 C ATOM 97 CE LYS A 112 -4.559 0.280 28.686 1.00 27.33 C ATOM 98 NZ LYS A 112 -4.798 0.211 30.165 1.00 29.32 N ATOM 99 HZ1 LYS A 112 -5.437 -0.582 30.375 1.00 0.00 H ATOM 100 HZ2 LYS A 112 -3.892 0.067 30.655 1.00 0.00 H ATOM 101 HZ3 LYS A 112 -5.230 1.100 30.487 1.00 0.00 H ATOM 102 H LYS A 112 -4.527 -0.157 23.454 1.00 0.00 H ATOM 103 N TRP A 113 -1.384 -2.241 24.095 1.00 8.91 N ATOM 104 CA TRP A 113 -1.254 -3.657 23.798 1.00 10.39 C ATOM 105 C TRP A 113 -1.981 -4.480 24.839 1.00 11.81 C ATOM 106 O TRP A 113 -1.939 -4.180 26.029 1.00 11.91 O ATOM 107 CB TRP A 113 0.220 -4.061 23.739 1.00 10.49 C ATOM 108 CG TRP A 113 0.953 -3.352 22.648 1.00 8.80 C ATOM 109 CD1 TRP A 113 1.734 -2.239 22.776 1.00 9.22 C ATOM 110 CD2 TRP A 113 0.949 -3.675 21.252 1.00 8.62 C ATOM 111 NE1 TRP A 113 2.234 -1.858 21.548 1.00 9.41 N ATOM 112 CE2 TRP A 113 1.763 -2.724 20.598 1.00 9.23 C ATOM 113 CE3 TRP A 113 0.340 -4.681 20.488 1.00 11.03 C ATOM 114 CZ2 TRP A 113 1.983 -2.749 19.210 1.00 11.62 C ATOM 115 CZ3 TRP A 113 0.563 -4.707 19.113 1.00 12.40 C ATOM 116 CH2 TRP A 113 1.369 -3.747 18.491 1.00 13.17 C ATOM 117 HE1 TRP A 113 2.863 -1.049 21.373 1.00 0.00 H ATOM 118 H TRP A 113 -0.550 -1.707 24.413 1.00 0.00 H ATOM 119 N SER A 114 -2.657 -5.526 24.370 1.00 13.24 N ATOM 120 CA SER A 114 -3.457 -6.388 25.242 1.00 16.12 C ATOM 121 C SER A 114 -2.647 -7.571 25.756 1.00 16.81 C ATOM 122 O SER A 114 -3.199 -8.523 26.322 1.00 19.74 O ATOM 123 CB SER A 114 -4.707 -6.882 24.503 1.00 19.56 C ATOM 124 OG SER A 114 -4.354 -7.738 23.434 1.00 23.34 O ATOM 125 HG SER A 114 -3.779 -7.247 22.795 1.00 0.00 H ATOM 126 H SER A 114 -2.616 -5.738 23.353 1.00 0.00 H ATOM 127 N LYS A 115 -1.339 -7.514 25.551 1.00 14.27 N ATOM 128 CA LYS A 115 -0.422 -8.556 25.971 1.00 14.33 C ATOM 129 C LYS A 115 0.852 -7.875 26.473 1.00 13.20 C ATOM 130 O LYS A 115 1.174 -6.755 26.047 1.00 13.43 O ATOM 131 CB LYS A 115 -0.134 -9.499 24.801 1.00 14.91 C ATOM 132 CG LYS A 115 0.454 -8.790 23.580 1.00 15.12 C ATOM 133 CD LYS A 115 0.510 -9.697 22.359 1.00 17.15 C ATOM 134 CE LYS A 115 1.162 -8.974 21.182 1.00 15.42 C ATOM 135 NZ LYS A 115 1.186 -9.812 19.958 1.00 19.36 N ATOM 136 HZ1 LYS A 115 1.726 -10.681 20.145 1.00 0.00 H ATOM 137 HZ2 LYS A 115 0.212 -10.058 19.689 1.00 0.00 H ATOM 138 HZ3 LYS A 115 1.637 -9.282 19.185 1.00 0.00 H ATOM 139 H LYS A 115 -0.951 -6.681 25.065 1.00 0.00 H ATOM 140 N MET A 116 1.577 -8.536 27.372 1.00 11.64 N ATOM 141 CA MET A 116 2.798 -7.974 27.950 1.00 11.66 C ATOM 142 C MET A 116 4.060 -8.384 27.195 1.00 10.91 C ATOM 143 O MET A 116 5.085 -7.721 27.324 1.00 11.82 O ATOM 144 CB MET A 116 2.946 -8.357 29.423 1.00 12.53 C ATOM 145 CG MET A 116 1.897 -7.777 30.351 1.00 14.94 C ATOM 146 SD MET A 116 1.969 -5.971 30.459 1.00 16.14 S ATOM 147 CE MET A 116 0.567 -5.631 31.514 1.00 16.39 C ATOM 148 H MET A 116 1.266 -9.482 27.673 1.00 0.00 H ATOM 149 N ASN A 117 3.991 -9.477 26.438 1.00 10.75 N ATOM 150 CA ASN A 117 5.118 -9.925 25.628 1.00 11.70 C ATOM 151 C ASN A 117 5.018 -9.375 24.225 1.00 11.15 C ATOM 152 O ASN A 117 4.108 -9.744 23.475 1.00 13.88 O ATOM 153 CB ASN A 117 5.131 -11.449 25.509 1.00 12.02 C ATOM 154 CG ASN A 117 5.311 -12.143 26.827 1.00 13.92 C ATOM 155 OD1 ASN A 117 5.820 -11.565 27.789 1.00 16.97 O ATOM 156 ND2 ASN A 117 4.904 -13.407 26.882 1.00 14.65 N ATOM 157 HD22 ASN A 117 4.480 -13.854 26.044 1.00 0.00 H ATOM 158 HD21 ASN A 117 5.010 -13.949 27.763 1.00 0.00 H ATOM 159 H ASN A 117 3.108 -10.027 26.424 1.00 0.00 H ATOM 160 N LEU A 118 5.943 -8.486 23.872 1.00 9.40 N ATOM 161 CA LEU A 118 5.948 -7.865 22.561 1.00 8.68 C ATOM 162 C LEU A 118 7.207 -8.232 21.811 1.00 8.55 C ATOM 163 O LEU A 118 8.265 -8.435 22.414 1.00 10.28 O ATOM 164 CB LEU A 118 5.841 -6.353 22.714 1.00 9.81 C ATOM 165 CG LEU A 118 4.554 -5.887 23.425 1.00 11.40 C ATOM 166 CD1 LEU A 118 4.617 -4.424 23.757 1.00 11.25 C ATOM 167 CD2 LEU A 118 3.316 -6.172 22.590 1.00 15.25 C ATOM 168 H LEU A 118 6.684 -8.229 24.556 1.00 0.00 H ATOM 169 N THR A 119 7.099 -8.316 20.492 1.00 8.24 N ATOM 170 CA THR A 119 8.268 -8.580 19.665 1.00 8.76 C ATOM 171 C THR A 119 8.602 -7.362 18.830 1.00 7.20 C ATOM 172 O THR A 119 7.726 -6.549 18.501 1.00 7.98 O ATOM 173 CB THR A 119 8.060 -9.781 18.739 1.00 8.75 C ATOM 174 OG1 THR A 119 6.876 -9.571 17.969 1.00 9.80 O ATOM 175 CG2 THR A 119 7.921 -11.071 19.540 1.00 11.08 C ATOM 176 HG1 THR A 119 6.734 -10.344 17.367 1.00 0.00 H ATOM 177 H THR A 119 6.169 -8.192 20.043 1.00 0.00 H ATOM 178 N TYR A 120 9.881 -7.249 18.483 1.00 7.61 N ATOM 179 CA TYR A 120 10.322 -6.243 17.522 1.00 6.92 C ATOM 180 C TYR A 120 11.267 -6.851 16.504 1.00 7.47 C ATOM 181 O TYR A 120 11.914 -7.860 16.776 1.00 8.45 O ATOM 182 CB TYR A 120 10.957 -5.049 18.222 1.00 7.84 C ATOM 183 CG TYR A 120 12.290 -5.280 18.888 1.00 7.41 C ATOM 184 CD1 TYR A 120 13.474 -4.956 18.227 1.00 8.72 C ATOM 185 CD2 TYR A 120 12.367 -5.723 20.208 1.00 8.22 C ATOM 186 CE1 TYR A 120 14.709 -5.080 18.860 1.00 10.43 C ATOM 187 CE2 TYR A 120 13.594 -5.862 20.845 1.00 9.48 C ATOM 188 CZ TYR A 120 14.753 -5.524 20.176 1.00 9.62 C ATOM 189 OH TYR A 120 15.977 -5.649 20.814 1.00 12.30 O ATOM 190 HH TYR A 120 16.699 -5.367 20.198 1.00 0.00 H ATOM 191 H TYR A 120 10.582 -7.891 18.905 1.00 0.00 H ATOM 192 N ARG A 121 11.351 -6.230 15.334 1.00 6.07 N ATOM 193 CA ARG A 121 12.242 -6.670 14.279 1.00 6.95 C ATOM 194 C ARG A 121 12.890 -5.448 13.676 1.00 7.25 C ATOM 195 O ARG A 121 12.199 -4.501 13.300 1.00 6.88 O ATOM 196 CB ARG A 121 11.472 -7.437 13.199 1.00 7.19 C ATOM 197 CG ARG A 121 12.323 -7.770 11.967 1.00 6.86 C ATOM 198 CD ARG A 121 11.531 -8.541 10.952 1.00 8.04 C ATOM 199 NE ARG A 121 12.198 -8.561 9.654 1.00 8.01 N ATOM 200 CZ ARG A 121 11.603 -8.819 8.495 1.00 7.74 C ATOM 201 NH1 ARG A 121 10.322 -9.148 8.443 1.00 8.86 N ATOM 202 NH2 ARG A 121 12.308 -8.745 7.368 1.00 8.74 N ATOM 203 HE ARG A 121 13.218 -8.358 9.635 1.00 0.00 H ATOM 204 HH12 ARG A 121 9.873 -9.347 7.526 1.00 0.00 H ATOM 205 HH11 ARG A 121 9.765 -9.208 9.319 1.00 0.00 H ATOM 206 HH22 ARG A 121 11.852 -8.945 6.455 1.00 0.00 H ATOM 207 HH21 ARG A 121 13.315 -8.487 7.401 1.00 0.00 H ATOM 208 H ARG A 121 10.754 -5.395 15.168 1.00 0.00 H ATOM 209 N ILE A 122 14.218 -5.478 13.563 1.00 6.84 N ATOM 210 CA ILE A 122 14.945 -4.434 12.838 1.00 6.75 C ATOM 211 C ILE A 122 15.008 -4.876 11.373 1.00 6.88 C ATOM 212 O ILE A 122 15.783 -5.765 11.007 1.00 7.26 O ATOM 213 CB ILE A 122 16.356 -4.222 13.409 1.00 7.10 C ATOM 214 CG1 ILE A 122 16.308 -4.021 14.924 1.00 7.52 C ATOM 215 CG2 ILE A 122 17.027 -3.037 12.711 1.00 8.60 C ATOM 216 CD1 ILE A 122 17.674 -4.100 15.587 1.00 9.13 C ATOM 217 H ILE A 122 14.749 -6.259 13.999 1.00 0.00 H ATOM 218 N VAL A 123 14.139 -4.303 10.557 1.00 6.69 N ATOM 219 CA VAL A 123 13.956 -4.746 9.180 1.00 7.41 C ATOM 220 C VAL A 123 15.149 -4.374 8.296 1.00 7.57 C ATOM 221 O VAL A 123 15.545 -5.126 7.402 1.00 7.90 O ATOM 222 CB VAL A 123 12.648 -4.173 8.609 1.00 7.77 C ATOM 223 CG1 VAL A 123 12.502 -4.505 7.119 1.00 9.26 C ATOM 224 CG2 VAL A 123 11.452 -4.692 9.411 1.00 8.50 C ATOM 225 H VAL A 123 13.567 -3.509 10.910 1.00 0.00 H ATOM 226 N ASN A 124 15.708 -3.194 8.537 1.00 7.69 N ATOM 227 CA ASN A 124 16.878 -2.753 7.792 1.00 8.82 C ATOM 228 C ASN A 124 17.658 -1.788 8.661 1.00 7.76 C ATOM 229 O ASN A 124 17.258 -1.493 9.799 1.00 8.69 O ATOM 230 CB ASN A 124 16.507 -2.187 6.411 1.00 8.41 C ATOM 231 CG ASN A 124 15.589 -0.994 6.490 1.00 9.50 C ATOM 232 OD1 ASN A 124 15.445 -0.380 7.534 1.00 9.79 O ATOM 233 ND2 ASN A 124 14.982 -0.634 5.365 1.00 15.64 N ATOM 234 HD22 ASN A 124 15.131 -1.184 4.495 1.00 0.00 H ATOM 235 HD21 ASN A 124 14.358 0.198 5.354 1.00 0.00 H ATOM 236 H ASN A 124 15.304 -2.576 9.269 1.00 0.00 H ATOM 237 N TYR A 125 18.788 -1.322 8.133 1.00 7.86 N ATOM 238 CA TYR A 125 19.767 -0.619 8.944 1.00 8.20 C ATOM 239 C TYR A 125 20.259 0.647 8.261 1.00 6.88 C ATOM 240 O TYR A 125 20.465 0.688 7.046 1.00 8.33 O ATOM 241 CB TYR A 125 20.967 -1.529 9.217 1.00 8.77 C ATOM 242 CG TYR A 125 20.720 -2.610 10.242 1.00 8.77 C ATOM 243 CD1 TYR A 125 20.001 -3.758 9.913 1.00 10.19 C ATOM 244 CD2 TYR A 125 21.222 -2.494 11.540 1.00 7.71 C ATOM 245 CE1 TYR A 125 19.772 -4.758 10.860 1.00 9.92 C ATOM 246 CE2 TYR A 125 21.002 -3.487 12.483 1.00 9.76 C ATOM 247 CZ TYR A 125 20.279 -4.613 12.136 1.00 9.00 C ATOM 248 OH TYR A 125 20.035 -5.633 13.050 1.00 10.20 O ATOM 249 HH TYR A 125 20.897 -6.006 13.364 1.00 0.00 H ATOM 250 H TYR A 125 18.973 -1.464 7.120 1.00 0.00 H ATOM 251 N THR A 126 20.498 1.679 9.060 1.00 7.83 N ATOM 252 CA THR A 126 21.084 2.919 8.571 1.00 7.86 C ATOM 253 C THR A 126 22.540 2.718 8.135 1.00 8.02 C ATOM 254 O THR A 126 23.262 1.913 8.740 1.00 7.96 O ATOM 255 CB THR A 126 21.015 4.013 9.660 1.00 8.33 C ATOM 256 OG1 THR A 126 21.672 5.185 9.175 1.00 9.24 O ATOM 257 CG2 THR A 126 21.690 3.585 10.957 1.00 8.65 C ATOM 258 HG1 THR A 126 21.219 5.499 8.353 1.00 0.00 H ATOM 259 H THR A 126 20.259 1.600 10.069 1.00 0.00 H ATOM 260 N PRO A 127 22.995 3.463 7.104 1.00 7.84 N ATOM 261 CA PRO A 127 24.429 3.451 6.776 1.00 8.13 C ATOM 262 C PRO A 127 25.332 3.975 7.898 1.00 9.29 C ATOM 263 O PRO A 127 26.513 3.634 7.928 1.00 10.39 O ATOM 264 CB PRO A 127 24.515 4.385 5.555 1.00 9.11 C ATOM 265 CG PRO A 127 23.117 4.405 4.969 1.00 8.98 C ATOM 266 CD PRO A 127 22.212 4.297 6.166 1.00 8.49 C ATOM 267 N ASP A 128 24.776 4.785 8.802 1.00 9.15 N ATOM 268 CA ASP A 128 25.561 5.651 9.689 1.00 11.40 C ATOM 269 C ASP A 128 26.233 4.949 10.863 1.00 10.20 C ATOM 270 O ASP A 128 27.160 5.497 11.453 1.00 10.40 O ATOM 271 CB ASP A 128 24.666 6.766 10.260 1.00 12.85 C ATOM 272 CG ASP A 128 24.166 7.729 9.217 1.00 18.22 C ATOM 273 OD1 ASP A 128 24.804 7.872 8.155 1.00 22.33 O ATOM 274 OD2 ASP A 128 23.116 8.350 9.466 1.00 21.36 O ATOM 275 H ASP A 128 23.739 4.803 8.881 1.00 0.00 H ATOM 276 N MET A 129 25.743 3.773 11.233 1.00 9.19 N ATOM 277 CA MET A 129 26.155 3.093 12.461 1.00 8.78 C ATOM 278 C MET A 129 26.348 1.629 12.149 1.00 8.11 C ATOM 279 O MET A 129 25.790 1.125 11.176 1.00 9.11 O ATOM 280 CB MET A 129 25.073 3.245 13.535 1.00 9.47 C ATOM 281 CG MET A 129 24.879 4.682 14.014 1.00 9.26 C ATOM 282 SD MET A 129 23.340 4.970 14.953 1.00 9.75 S ATOM 283 CE MET A 129 23.634 3.965 16.419 1.00 10.44 C ATOM 284 H MET A 129 25.036 3.315 10.624 1.00 0.00 H ATOM 285 N THR A 130 27.139 0.933 12.958 1.00 8.53 N ATOM 286 CA THR A 130 27.280 -0.507 12.742 1.00 9.23 C ATOM 287 C THR A 130 25.988 -1.232 13.133 1.00 8.37 C ATOM 288 O THR A 130 25.160 -0.677 13.878 1.00 8.94 O ATOM 289 CB THR A 130 28.441 -1.086 13.562 1.00 9.57 C ATOM 290 OG1 THR A 130 28.112 -1.013 14.946 1.00 10.82 O ATOM 291 CG2 THR A 130 29.758 -0.324 13.283 1.00 11.03 C ATOM 292 HG1 THR A 130 28.857 -1.385 15.481 1.00 0.00 H ATOM 293 H THR A 130 27.650 1.404 13.732 1.00 0.00 H ATOM 294 N HIS A 131 25.814 -2.461 12.647 1.00 9.47 N ATOM 295 CA HIS A 131 24.655 -3.257 13.050 1.00 9.44 C ATOM 296 C HIS A 131 24.595 -3.384 14.581 1.00 9.50 C ATOM 297 O HIS A 131 23.530 -3.256 15.175 1.00 8.78 O ATOM 298 CB HIS A 131 24.670 -4.647 12.400 1.00 10.09 C ATOM 299 CG HIS A 131 24.353 -4.652 10.932 1.00 9.01 C ATOM 300 ND1 HIS A 131 25.253 -4.251 9.967 1.00 11.71 N ATOM 301 CD2 HIS A 131 23.255 -5.076 10.262 1.00 12.52 C ATOM 302 CE1 HIS A 131 24.712 -4.399 8.771 1.00 12.52 C ATOM 303 NE2 HIS A 131 23.501 -4.899 8.921 1.00 12.31 N ATOM 304 H HIS A 131 26.506 -2.856 11.978 1.00 0.00 H ATOM 305 N SER A 132 25.742 -3.607 15.228 1.00 9.76 N ATOM 306 CA SER A 132 25.808 -3.740 16.683 1.00 9.52 C ATOM 307 C SER A 132 25.377 -2.465 17.412 1.00 9.13 C ATOM 308 O SER A 132 24.654 -2.528 18.408 1.00 9.06 O ATOM 309 CB SER A 132 27.233 -4.136 17.104 1.00 10.52 C ATOM 310 OG SER A 132 27.408 -4.079 18.511 1.00 10.65 O ATOM 311 HG SER A 132 26.773 -4.701 18.947 1.00 0.00 H ATOM 312 H SER A 132 26.620 -3.689 14.677 1.00 0.00 H ATOM 313 N GLU A 133 25.831 -1.314 16.926 1.00 8.64 N ATOM 314 CA GLU A 133 25.453 -0.036 17.520 1.00 9.26 C ATOM 315 C GLU A 133 23.946 0.187 17.420 1.00 8.54 C ATOM 316 O GLU A 133 23.319 0.651 18.374 1.00 8.34 O ATOM 317 CB GLU A 133 26.175 1.126 16.835 1.00 10.47 C ATOM 318 CG GLU A 133 27.638 1.287 17.197 1.00 13.33 C ATOM 319 CD GLU A 133 28.293 2.418 16.413 1.00 16.34 C ATOM 320 OE1 GLU A 133 28.080 2.537 15.187 1.00 12.98 O ATOM 321 OE2 GLU A 133 29.045 3.198 17.038 1.00 21.84 O ATOM 322 H GLU A 133 26.469 -1.325 16.105 1.00 0.00 H ATOM 323 N VAL A 134 23.369 -0.126 16.266 1.00 7.96 N ATOM 324 CA VAL A 134 21.925 0.024 16.067 1.00 7.82 C ATOM 325 C VAL A 134 21.154 -0.907 16.999 1.00 7.30 C ATOM 326 O VAL A 134 20.213 -0.488 17.689 1.00 7.48 O ATOM 327 CB VAL A 134 21.563 -0.212 14.603 1.00 7.29 C ATOM 328 CG1 VAL A 134 20.050 -0.273 14.421 1.00 8.92 C ATOM 329 CG2 VAL A 134 22.131 0.901 13.727 1.00 8.36 C ATOM 330 H VAL A 134 23.955 -0.486 15.486 1.00 0.00 H ATOM 331 N GLU A 135 21.576 -2.165 17.048 1.00 7.64 N ATOM 332 CA GLU A 135 20.937 -3.143 17.917 1.00 8.37 C ATOM 333 C GLU A 135 21.000 -2.737 19.389 1.00 8.70 C ATOM 334 O GLU A 135 20.019 -2.864 20.123 1.00 8.70 O ATOM 335 CB GLU A 135 21.570 -4.518 17.681 1.00 8.58 C ATOM 336 CG GLU A 135 21.166 -5.119 16.337 1.00 9.51 C ATOM 337 CD GLU A 135 22.206 -6.036 15.719 1.00 10.78 C ATOM 338 OE1 GLU A 135 23.172 -6.446 16.402 1.00 12.07 O ATOM 339 OE2 GLU A 135 22.059 -6.336 14.519 1.00 11.23 O ATOM 340 H GLU A 135 22.378 -2.457 16.454 1.00 0.00 H ATOM 341 N LYS A 136 22.156 -2.261 19.828 1.00 8.11 N ATOM 342 CA LYS A 136 22.319 -1.812 21.201 1.00 9.28 C ATOM 343 C LYS A 136 21.444 -0.604 21.524 1.00 8.53 C ATOM 344 O LYS A 136 20.867 -0.534 22.610 1.00 9.06 O ATOM 345 CB LYS A 136 23.792 -1.485 21.477 1.00 11.10 C ATOM 346 CG LYS A 136 24.614 -2.620 22.088 1.00 23.61 C ATOM 347 CD LYS A 136 24.569 -3.926 21.317 1.00 32.85 C ATOM 348 CE LYS A 136 25.107 -5.069 22.172 1.00 36.27 C ATOM 349 NZ LYS A 136 24.792 -6.410 21.602 1.00 41.23 N ATOM 350 HZ1 LYS A 136 23.760 -6.522 21.532 1.00 0.00 H ATOM 351 HZ2 LYS A 136 25.216 -6.492 20.656 1.00 0.00 H ATOM 352 HZ3 LYS A 136 25.180 -7.149 22.222 1.00 0.00 H ATOM 353 H LYS A 136 22.964 -2.207 19.176 1.00 0.00 H ATOM 354 N ALA A 137 21.343 0.331 20.590 1.00 7.67 N ATOM 355 CA ALA A 137 20.519 1.511 20.787 1.00 8.01 C ATOM 356 C ALA A 137 19.057 1.108 20.964 1.00 7.37 C ATOM 357 O ALA A 137 18.404 1.591 21.888 1.00 7.81 O ATOM 358 CB ALA A 137 20.681 2.495 19.633 1.00 8.76 C ATOM 359 H ALA A 137 21.865 0.217 19.697 1.00 0.00 H ATOM 360 N PHE A 138 18.541 0.242 20.091 1.00 7.26 N ATOM 361 CA PHE A 138 17.142 -0.178 20.199 1.00 7.80 C ATOM 362 C PHE A 138 16.898 -1.020 21.446 1.00 7.97 C ATOM 363 O PHE A 138 15.875 -0.849 22.116 1.00 7.89 O ATOM 364 CB PHE A 138 16.671 -0.914 18.938 1.00 7.86 C ATOM 365 CG PHE A 138 16.587 -0.044 17.716 1.00 6.89 C ATOM 366 CD1 PHE A 138 16.133 1.267 17.785 1.00 9.79 C ATOM 367 CD2 PHE A 138 16.903 -0.559 16.467 1.00 7.73 C ATOM 368 CE1 PHE A 138 16.032 2.041 16.613 1.00 9.82 C ATOM 369 CE2 PHE A 138 16.783 0.193 15.320 1.00 8.94 C ATOM 370 CZ PHE A 138 16.364 1.495 15.387 1.00 7.32 C ATOM 371 H PHE A 138 19.136 -0.138 19.328 1.00 0.00 H ATOM 372 N LYS A 139 17.826 -1.923 21.774 1.00 8.69 N ATOM 373 CA LYS A 139 17.697 -2.721 22.986 1.00 9.01 C ATOM 374 C LYS A 139 17.600 -1.827 24.218 1.00 8.66 C ATOM 375 O LYS A 139 16.752 -2.037 25.086 1.00 9.16 O ATOM 376 CB LYS A 139 18.869 -3.697 23.117 1.00 10.31 C ATOM 377 CG LYS A 139 18.717 -4.669 24.282 1.00 13.06 C ATOM 378 CD LYS A 139 19.715 -5.819 24.178 1.00 18.43 C ATOM 379 CE LYS A 139 19.457 -6.863 25.254 1.00 23.92 C ATOM 380 NZ LYS A 139 20.512 -7.912 25.262 1.00 29.13 N ATOM 381 HZ1 LYS A 139 20.532 -8.389 24.338 1.00 0.00 H ATOM 382 HZ2 LYS A 139 21.436 -7.471 25.446 1.00 0.00 H ATOM 383 HZ3 LYS A 139 20.303 -8.606 26.008 1.00 0.00 H ATOM 384 H LYS A 139 18.651 -2.058 21.156 1.00 0.00 H ATOM 385 N LYS A 140 18.449 -0.809 24.290 1.00 8.46 N ATOM 386 CA LYS A 140 18.431 0.117 25.425 1.00 9.92 C ATOM 387 C LYS A 140 17.151 0.960 25.460 1.00 8.70 C ATOM 388 O LYS A 140 16.594 1.221 26.544 1.00 9.15 O ATOM 389 CB LYS A 140 19.669 1.008 25.387 1.00 10.45 C ATOM 390 CG LYS A 140 19.904 1.807 26.663 1.00 15.13 C ATOM 391 CD LYS A 140 21.125 2.709 26.509 1.00 21.16 C ATOM 392 CE LYS A 140 21.365 3.538 27.763 1.00 28.40 C ATOM 393 NZ LYS A 140 22.528 4.453 27.602 1.00 33.02 N ATOM 394 HZ1 LYS A 140 23.383 3.894 27.409 1.00 0.00 H ATOM 395 HZ2 LYS A 140 22.350 5.101 26.809 1.00 0.00 H ATOM 396 HZ3 LYS A 140 22.660 5.001 28.476 1.00 0.00 H ATOM 397 H LYS A 140 19.140 -0.666 23.526 1.00 0.00 H ATOM 398 N ALA A 141 16.676 1.371 24.288 1.00 7.85 N ATOM 399 CA ALA A 141 15.427 2.118 24.198 1.00 7.67 C ATOM 400 C ALA A 141 14.217 1.301 24.678 1.00 7.47 C ATOM 401 O ALA A 141 13.342 1.844 25.353 1.00 9.07 O ATOM 402 CB ALA A 141 15.221 2.634 22.777 1.00 7.49 C ATOM 403 H ALA A 141 17.205 1.156 23.419 1.00 0.00 H ATOM 404 N PHE A 142 14.152 0.017 24.351 1.00 7.22 N ATOM 405 CA PHE A 142 13.089 -0.823 24.904 1.00 8.19 C ATOM 406 C PHE A 142 13.220 -1.002 26.413 1.00 8.17 C ATOM 407 O PHE A 142 12.209 -1.016 27.133 1.00 8.39 O ATOM 408 CB PHE A 142 13.027 -2.172 24.190 1.00 7.67 C ATOM 409 CG PHE A 142 12.379 -2.100 22.835 1.00 7.49 C ATOM 410 CD1 PHE A 142 11.046 -1.706 22.712 1.00 8.75 C ATOM 411 CD2 PHE A 142 13.074 -2.428 21.690 1.00 7.99 C ATOM 412 CE1 PHE A 142 10.434 -1.632 21.465 1.00 9.10 C ATOM 413 CE2 PHE A 142 12.465 -2.331 20.434 1.00 8.86 C ATOM 414 CZ PHE A 142 11.150 -1.956 20.331 1.00 8.97 C ATOM 415 H PHE A 142 14.855 -0.392 23.703 1.00 0.00 H ATOM 416 N LYS A 143 14.451 -1.122 26.896 1.00 8.52 N ATOM 417 CA LYS A 143 14.706 -1.308 28.324 1.00 9.01 C ATOM 418 C LYS A 143 14.231 -0.105 29.151 1.00 8.84 C ATOM 419 O LYS A 143 13.787 -0.273 30.285 1.00 8.53 O ATOM 420 CB LYS A 143 16.188 -1.588 28.569 1.00 9.74 C ATOM 421 CG LYS A 143 16.515 -1.914 30.014 1.00 12.09 C ATOM 422 CD LYS A 143 17.976 -2.307 30.179 1.00 14.14 C ATOM 423 CE LYS A 143 18.225 -2.887 31.573 1.00 21.78 C ATOM 424 NZ LYS A 143 18.050 -1.870 32.635 1.00 24.17 N ATOM 425 HZ1 LYS A 143 18.722 -1.091 32.481 1.00 0.00 H ATOM 426 HZ2 LYS A 143 17.078 -1.502 32.604 1.00 0.00 H ATOM 427 HZ3 LYS A 143 18.228 -2.305 33.563 1.00 0.00 H ATOM 428 H LYS A 143 15.257 -1.083 26.240 1.00 0.00 H ATOM 429 N VAL A 144 14.281 1.098 28.582 1.00 8.01 N ATOM 430 CA VAL A 144 13.719 2.274 29.228 1.00 9.85 C ATOM 431 C VAL A 144 12.284 1.985 29.710 1.00 8.15 C ATOM 432 O VAL A 144 11.904 2.343 30.835 1.00 8.88 O ATOM 433 CB VAL A 144 13.727 3.474 28.239 1.00 10.11 C ATOM 434 CG1 VAL A 144 12.848 4.610 28.732 1.00 10.98 C ATOM 435 CG2 VAL A 144 15.149 3.971 28.010 1.00 11.67 C ATOM 436 H VAL A 144 14.734 1.199 27.651 1.00 0.00 H ATOM 437 N TRP A 145 11.492 1.363 28.845 1.00 7.39 N ATOM 438 CA TRP A 145 10.086 1.122 29.113 1.00 8.03 C ATOM 439 C TRP A 145 9.844 -0.173 29.887 1.00 7.54 C ATOM 440 O TRP A 145 8.979 -0.210 30.774 1.00 8.27 O ATOM 441 CB TRP A 145 9.297 1.158 27.806 1.00 7.10 C ATOM 442 CG TRP A 145 9.432 2.462 27.060 1.00 7.01 C ATOM 443 CD1 TRP A 145 10.094 2.662 25.875 1.00 7.15 C ATOM 444 CD2 TRP A 145 8.902 3.733 27.446 1.00 6.82 C ATOM 445 NE1 TRP A 145 9.999 3.982 25.508 1.00 6.83 N ATOM 446 CE2 TRP A 145 9.264 4.660 26.445 1.00 6.70 C ATOM 447 CE3 TRP A 145 8.142 4.181 28.537 1.00 7.42 C ATOM 448 CZ2 TRP A 145 8.897 5.997 26.500 1.00 7.18 C ATOM 449 CZ3 TRP A 145 7.780 5.517 28.591 1.00 7.64 C ATOM 450 CH2 TRP A 145 8.169 6.412 27.587 1.00 7.47 C ATOM 451 HE1 TRP A 145 10.419 4.401 24.654 1.00 0.00 H ATOM 452 H TRP A 145 11.893 1.037 27.943 1.00 0.00 H ATOM 453 N SER A 146 10.568 -1.239 29.578 1.00 7.62 N ATOM 454 CA SER A 146 10.382 -2.482 30.310 1.00 8.44 C ATOM 455 C SER A 146 10.833 -2.357 31.762 1.00 8.74 C ATOM 456 O SER A 146 10.295 -3.044 32.630 1.00 9.68 O ATOM 457 CB SER A 146 11.088 -3.640 29.603 1.00 8.69 C ATOM 458 OG SER A 146 12.488 -3.420 29.521 1.00 9.72 O ATOM 459 HG SER A 146 12.861 -3.334 30.434 1.00 0.00 H ATOM 460 H SER A 146 11.269 -1.187 28.812 1.00 0.00 H ATOM 461 N ASP A 147 11.782 -1.471 32.051 1.00 8.25 N ATOM 462 CA ASP A 147 12.264 -1.325 33.422 1.00 9.60 C ATOM 463 C ASP A 147 11.182 -0.799 34.357 1.00 9.56 C ATOM 464 O ASP A 147 11.252 -1.041 35.559 1.00 11.09 O ATOM 465 CB ASP A 147 13.489 -0.407 33.491 1.00 11.41 C ATOM 466 CG ASP A 147 14.816 -1.137 33.220 1.00 12.02 C ATOM 467 OD1 ASP A 147 14.842 -2.374 33.109 1.00 13.94 O ATOM 468 OD2 ASP A 147 15.845 -0.428 33.162 1.00 15.72 O ATOM 469 H ASP A 147 12.183 -0.879 31.296 1.00 0.00 H ATOM 470 N VAL A 148 10.173 -0.111 33.826 1.00 8.26 N ATOM 471 CA VAL A 148 9.162 0.541 34.674 1.00 8.68 C ATOM 472 C VAL A 148 7.739 0.002 34.467 1.00 7.51 C ATOM 473 O VAL A 148 6.764 0.617 34.907 1.00 7.84 O ATOM 474 CB VAL A 148 9.205 2.094 34.515 1.00 9.25 C ATOM 475 CG1 VAL A 148 10.571 2.644 34.950 1.00 10.49 C ATOM 476 CG2 VAL A 148 8.889 2.526 33.075 1.00 9.56 C ATOM 477 H VAL A 148 10.098 -0.033 32.792 1.00 0.00 H ATOM 478 N THR A 149 7.619 -1.144 33.793 1.00 7.82 N ATOM 479 CA THR A 149 6.319 -1.772 33.508 1.00 8.47 C ATOM 480 C THR A 149 6.497 -3.294 33.624 1.00 7.85 C ATOM 481 O THR A 149 7.606 -3.750 33.916 1.00 8.95 O ATOM 482 CB THR A 149 5.843 -1.471 32.073 1.00 7.21 C ATOM 483 OG1 THR A 149 6.810 -1.999 31.160 1.00 8.31 O ATOM 484 CG2 THR A 149 5.672 0.022 31.820 1.00 9.76 C ATOM 485 HG1 THR A 149 7.687 -1.570 31.325 1.00 0.00 H ATOM 486 H THR A 149 8.483 -1.614 33.454 1.00 0.00 H ATOM 487 N PRO A 150 5.422 -4.076 33.383 1.00 7.86 N ATOM 488 CA PRO A 150 5.590 -5.525 33.245 1.00 8.08 C ATOM 489 C PRO A 150 5.885 -5.963 31.808 1.00 8.22 C ATOM 490 O PRO A 150 5.859 -7.163 31.515 1.00 9.93 O ATOM 491 CB PRO A 150 4.213 -6.081 33.664 1.00 8.89 C ATOM 492 CG PRO A 150 3.367 -4.890 34.024 1.00 8.55 C ATOM 493 CD PRO A 150 3.997 -3.727 33.336 1.00 8.49 C ATOM 494 N LEU A 151 6.152 -5.023 30.903 1.00 7.98 N ATOM 495 CA LEU A 151 6.385 -5.373 29.496 1.00 8.30 C ATOM 496 C LEU A 151 7.680 -6.118 29.268 1.00 9.24 C ATOM 497 O LEU A 151 8.676 -5.831 29.926 1.00 9.32 O ATOM 498 CB LEU A 151 6.398 -4.121 28.626 1.00 9.12 C ATOM 499 CG LEU A 151 5.080 -3.353 28.559 1.00 9.87 C ATOM 500 CD1 LEU A 151 5.304 -1.977 27.941 1.00 12.03 C ATOM 501 CD2 LEU A 151 4.025 -4.092 27.779 1.00 13.06 C ATOM 502 H LEU A 151 6.196 -4.026 31.197 1.00 0.00 H ATOM 503 N ASN A 152 7.651 -7.061 28.324 1.00 9.45 N ATOM 504 CA ASN A 152 8.852 -7.790 27.890 1.00 10.71 C ATOM 505 C ASN A 152 9.010 -7.616 26.396 1.00 9.73 C ATOM 506 O ASN A 152 8.018 -7.697 25.667 1.00 12.42 O ATOM 507 CB ASN A 152 8.715 -9.290 28.170 1.00 12.44 C ATOM 508 CG ASN A 152 8.510 -9.602 29.627 1.00 13.85 C ATOM 509 OD1 ASN A 152 9.244 -9.122 30.491 1.00 15.43 O ATOM 510 ND2 ASN A 152 7.522 -10.443 29.908 1.00 15.85 N ATOM 511 HD22 ASN A 152 6.928 -10.822 29.143 1.00 0.00 H ATOM 512 HD21 ASN A 152 7.342 -10.723 30.893 1.00 0.00 H ATOM 513 H ASN A 152 6.741 -7.290 27.876 1.00 0.00 H ATOM 514 N PHE A 153 10.240 -7.377 25.945 1.00 9.34 N ATOM 515 CA PHE A 153 10.511 -7.212 24.512 1.00 9.37 C ATOM 516 C PHE A 153 11.494 -8.256 24.020 1.00 10.68 C ATOM 517 O PHE A 153 12.565 -8.443 24.618 1.00 13.46 O ATOM 518 CB PHE A 153 11.055 -5.805 24.223 1.00 9.66 C ATOM 519 CG PHE A 153 10.094 -4.720 24.571 1.00 8.84 C ATOM 520 CD1 PHE A 153 9.067 -4.396 23.699 1.00 8.97 C ATOM 521 CD2 PHE A 153 10.195 -4.037 25.777 1.00 8.41 C ATOM 522 CE1 PHE A 153 8.155 -3.413 24.011 1.00 9.22 C ATOM 523 CE2 PHE A 153 9.290 -3.044 26.109 1.00 9.17 C ATOM 524 CZ PHE A 153 8.265 -2.738 25.225 1.00 9.21 C ATOM 525 H PHE A 153 11.026 -7.306 26.623 1.00 0.00 H ATOM 526 N THR A 154 11.132 -8.936 22.935 1.00 9.21 N ATOM 527 CA THR A 154 11.989 -9.952 22.328 1.00 10.65 C ATOM 528 C THR A 154 12.246 -9.594 20.872 1.00 9.77 C ATOM 529 O THR A 154 11.314 -9.305 20.122 1.00 10.14 O ATOM 530 CB THR A 154 11.364 -11.372 22.416 1.00 11.32 C ATOM 531 OG1 THR A 154 10.919 -11.645 23.756 1.00 13.94 O ATOM 532 CG2 THR A 154 12.383 -12.450 21.995 1.00 14.07 C ATOM 533 HG1 THR A 154 10.238 -10.977 24.019 1.00 0.00 H ATOM 534 H THR A 154 10.207 -8.737 22.504 1.00 0.00 H ATOM 535 N ARG A 155 13.505 -9.648 20.472 1.00 10.04 N ATOM 536 CA ARG A 155 13.868 -9.375 19.098 1.00 9.73 C ATOM 537 C ARG A 155 13.663 -10.586 18.195 1.00 9.72 C ATOM 538 O ARG A 155 14.031 -11.716 18.547 1.00 11.63 O ATOM 539 CB ARG A 155 15.316 -8.888 19.034 1.00 10.93 C ATOM 540 CG ARG A 155 15.790 -8.503 17.649 1.00 13.17 C ATOM 541 CD ARG A 155 17.277 -8.233 17.703 1.00 16.82 C ATOM 542 NE ARG A 155 17.824 -8.116 16.362 1.00 19.02 N ATOM 543 CZ ARG A 155 19.104 -8.272 16.055 1.00 18.13 C ATOM 544 NH1 ARG A 155 19.483 -8.145 14.794 1.00 21.82 N ATOM 545 NH2 ARG A 155 20.005 -8.563 16.993 1.00 17.44 N ATOM 546 HE ARG A 155 17.165 -7.894 15.589 1.00 0.00 H ATOM 547 HH12 ARG A 155 20.484 -8.264 14.537 1.00 0.00 H ATOM 548 HH11 ARG A 155 18.780 -7.926 14.059 1.00 0.00 H ATOM 549 HH22 ARG A 155 21.005 -8.682 16.734 1.00 0.00 H ATOM 550 HH21 ARG A 155 19.708 -8.671 17.984 1.00 0.00 H ATOM 551 H ARG A 155 14.248 -9.891 21.158 1.00 0.00 H ATOM 552 N LEU A 156 13.069 -10.340 17.033 1.00 9.32 N ATOM 553 CA LEU A 156 12.986 -11.327 15.953 1.00 10.17 C ATOM 554 C LEU A 156 13.892 -10.902 14.819 1.00 10.21 C ATOM 555 O LEU A 156 13.968 -9.718 14.496 1.00 10.48 O ATOM 556 CB LEU A 156 11.557 -11.419 15.428 1.00 10.90 C ATOM 557 CG LEU A 156 10.564 -12.093 16.380 1.00 13.82 C ATOM 558 CD1 LEU A 156 9.143 -11.978 15.844 1.00 13.68 C ATOM 559 CD2 LEU A 156 10.934 -13.568 16.581 1.00 19.27 C ATOM 560 H LEU A 156 12.643 -9.403 16.882 1.00 0.00 H ATOM 561 N HIS A 157 14.558 -11.868 14.186 1.00 11.78 N ATOM 562 CA HIS A 157 15.427 -11.541 13.066 1.00 12.52 C ATOM 563 C HIS A 157 14.678 -11.443 11.754 1.00 12.30 C ATOM 564 O HIS A 157 15.114 -10.759 10.836 1.00 15.41 O ATOM 565 CB HIS A 157 16.575 -12.533 12.973 1.00 14.47 C ATOM 566 CG HIS A 157 17.608 -12.325 14.032 1.00 19.38 C ATOM 567 ND1 HIS A 157 18.788 -11.652 13.796 1.00 23.63 N ATOM 568 CD2 HIS A 157 17.614 -12.651 15.345 1.00 24.21 C ATOM 569 CE1 HIS A 157 19.493 -11.605 14.913 1.00 23.42 C ATOM 570 NE2 HIS A 157 18.802 -12.201 15.868 1.00 25.22 N ATOM 571 H HIS A 157 14.456 -12.856 14.493 1.00 0.00 H ATOM 572 N ASP A 158 13.544 -12.122 11.673 1.00 12.12 N ATOM 573 CA ASP A 158 12.754 -12.210 10.449 1.00 12.11 C ATOM 574 C ASP A 158 11.288 -12.405 10.807 1.00 11.17 C ATOM 575 O ASP A 158 10.947 -12.574 11.981 1.00 12.48 O ATOM 576 CB ASP A 158 13.273 -13.340 9.546 1.00 13.42 C ATOM 577 CG ASP A 158 14.381 -12.870 8.617 1.00 19.62 C ATOM 578 OD1 ASP A 158 14.104 -12.012 7.752 1.00 21.75 O ATOM 579 OD2 ASP A 158 15.527 -13.338 8.763 1.00 21.76 O ATOM 580 H ASP A 158 13.200 -12.616 12.521 1.00 0.00 H ATOM 581 N GLY A 159 10.425 -12.371 9.800 1.00 11.09 N ATOM 582 CA GLY A 159 9.009 -12.579 10.006 1.00 11.45 C ATOM 583 C GLY A 159 8.294 -11.377 10.592 1.00 9.77 C ATOM 584 O GLY A 159 8.815 -10.255 10.582 1.00 10.29 O ATOM 585 H GLY A 159 10.776 -12.190 8.838 1.00 0.00 H ATOM 586 N ILE A 160 7.083 -11.603 11.075 1.00 11.53 N ATOM 587 CA ILE A 160 6.247 -10.515 11.544 1.00 11.63 C ATOM 588 C ILE A 160 6.403 -10.341 13.049 1.00 11.44 C ATOM 589 O ILE A 160 6.167 -11.267 13.832 1.00 13.29 O ATOM 590 CB ILE A 160 4.766 -10.704 11.118 1.00 14.31 C ATOM 591 CG1 ILE A 160 4.651 -10.741 9.586 1.00 17.41 C ATOM 592 CG2 ILE A 160 3.877 -9.600 11.714 1.00 17.50 C ATOM 593 CD1 ILE A 160 3.262 -11.122 9.060 1.00 24.52 C ATOM 594 H ILE A 160 6.724 -12.578 11.119 1.00 0.00 H ATOM 595 N ALA A 161 6.829 -9.140 13.435 1.00 9.90 N ATOM 596 CA ALA A 161 6.924 -8.744 14.828 1.00 9.16 C ATOM 597 C ALA A 161 5.858 -7.705 15.110 1.00 8.52 C ATOM 598 O ALA A 161 5.376 -7.052 14.189 1.00 9.93 O ATOM 599 CB ALA A 161 8.300 -8.160 15.114 1.00 9.06 C ATOM 600 H ALA A 161 7.107 -8.454 12.704 1.00 0.00 H ATOM 601 N ASP A 162 5.535 -7.497 16.380 1.00 8.63 N ATOM 602 CA ASP A 162 4.584 -6.440 16.730 1.00 8.62 C ATOM 603 C ASP A 162 5.099 -5.065 16.312 1.00 7.97 C ATOM 604 O ASP A 162 4.377 -4.283 15.683 1.00 8.57 O ATOM 605 CB ASP A 162 4.307 -6.439 18.231 1.00 9.07 C ATOM 606 CG ASP A 162 3.709 -7.737 18.719 1.00 10.56 C ATOM 607 OD1 ASP A 162 2.642 -8.127 18.195 1.00 11.79 O ATOM 608 OD2 ASP A 162 4.309 -8.348 19.624 1.00 10.13 O ATOM 609 H ASP A 162 5.957 -8.085 17.127 1.00 0.00 H ATOM 610 N ILE A 163 6.351 -4.784 16.655 1.00 7.80 N ATOM 611 CA ILE A 163 6.968 -3.492 16.380 1.00 6.86 C ATOM 612 C ILE A 163 8.017 -3.689 15.289 1.00 7.37 C ATOM 613 O ILE A 163 9.118 -4.192 15.545 1.00 7.40 O ATOM 614 CB ILE A 163 7.576 -2.919 17.678 1.00 7.32 C ATOM 615 CG1 ILE A 163 6.462 -2.623 18.687 1.00 8.06 C ATOM 616 CG2 ILE A 163 8.378 -1.635 17.395 1.00 8.69 C ATOM 617 CD1 ILE A 163 6.943 -2.302 20.091 1.00 10.86 C ATOM 618 H ILE A 163 6.913 -5.514 17.138 1.00 0.00 H ATOM 619 N MET A 164 7.654 -3.339 14.065 1.00 7.01 N ATOM 620 CA MET A 164 8.566 -3.434 12.937 1.00 7.43 C ATOM 621 C MET A 164 9.306 -2.117 12.825 1.00 6.77 C ATOM 622 O MET A 164 8.677 -1.059 12.792 1.00 7.37 O ATOM 623 CB MET A 164 7.786 -3.715 11.654 1.00 8.17 C ATOM 624 CG MET A 164 6.948 -4.992 11.730 1.00 8.05 C ATOM 625 SD MET A 164 7.912 -6.515 11.547 1.00 9.00 S ATOM 626 CE MET A 164 7.998 -6.644 9.770 1.00 10.32 C ATOM 627 H MET A 164 6.689 -2.986 13.906 1.00 0.00 H ATOM 628 N ILE A 165 10.628 -2.191 12.801 1.00 6.75 N ATOM 629 CA ILE A 165 11.486 -1.019 12.801 1.00 6.56 C ATOM 630 C ILE A 165 12.203 -0.906 11.472 1.00 6.67 C ATOM 631 O ILE A 165 12.798 -1.880 10.997 1.00 7.24 O ATOM 632 CB ILE A 165 12.531 -1.096 13.928 1.00 6.14 C ATOM 633 CG1 ILE A 165 11.857 -1.208 15.302 1.00 7.93 C ATOM 634 CG2 ILE A 165 13.457 0.113 13.881 1.00 8.89 C ATOM 635 CD1 ILE A 165 12.766 -1.693 16.423 1.00 9.07 C ATOM 636 H ILE A 165 11.072 -3.131 12.781 1.00 0.00 H ATOM 637 N SER A 166 12.194 0.281 10.874 1.00 6.81 N ATOM 638 CA SER A 166 12.886 0.455 9.601 1.00 7.56 C ATOM 639 C SER A 166 13.386 1.870 9.412 1.00 7.81 C ATOM 640 O SER A 166 12.894 2.806 10.040 1.00 7.99 O ATOM 641 CB SER A 166 12.003 0.031 8.419 1.00 9.41 C ATOM 642 OG SER A 166 10.795 0.734 8.424 1.00 11.54 O ATOM 643 HG SER A 166 10.310 0.549 9.267 1.00 0.00 H ATOM 644 H SER A 166 11.696 1.082 11.311 1.00 0.00 H ATOM 645 N PHE A 167 14.371 1.982 8.522 1.00 6.78 N ATOM 646 CA PHE A 167 14.957 3.231 8.067 1.00 7.13 C ATOM 647 C PHE A 167 14.533 3.441 6.619 1.00 8.50 C ATOM 648 O PHE A 167 14.646 2.528 5.779 1.00 10.47 O ATOM 649 CB PHE A 167 16.482 3.168 8.155 1.00 7.99 C ATOM 650 CG PHE A 167 16.999 3.071 9.552 1.00 7.91 C ATOM 651 CD1 PHE A 167 17.127 1.841 10.170 1.00 8.09 C ATOM 652 CD2 PHE A 167 17.382 4.214 10.240 1.00 8.21 C ATOM 653 CE1 PHE A 167 17.608 1.749 11.455 1.00 9.90 C ATOM 654 CE2 PHE A 167 17.858 4.136 11.539 1.00 9.22 C ATOM 655 CZ PHE A 167 17.972 2.897 12.150 1.00 10.33 C ATOM 656 H PHE A 167 14.752 1.102 8.119 1.00 0.00 H ATOM 657 N GLY A 168 14.054 4.635 6.301 1.00 8.47 N ATOM 658 CA GLY A 168 13.577 4.917 4.947 1.00 10.35 C ATOM 659 C GLY A 168 13.676 6.392 4.666 1.00 8.30 C ATOM 660 O GLY A 168 13.971 7.182 5.566 1.00 8.54 O ATOM 661 H GLY A 168 14.017 5.382 7.024 1.00 0.00 H ATOM 662 N ILE A 169 13.455 6.763 3.412 1.00 9.05 N ATOM 663 CA ILE A 169 13.484 8.169 3.014 1.00 8.93 C ATOM 664 C ILE A 169 12.234 8.502 2.210 1.00 8.53 C ATOM 665 O ILE A 169 11.615 7.613 1.607 1.00 8.75 O ATOM 666 CB ILE A 169 14.755 8.549 2.207 1.00 8.60 C ATOM 667 CG1 ILE A 169 14.828 7.796 0.867 1.00 9.66 C ATOM 668 CG2 ILE A 169 16.022 8.348 3.057 1.00 8.58 C ATOM 669 CD1 ILE A 169 15.966 8.279 -0.040 1.00 11.30 C ATOM 670 H ILE A 169 13.256 6.036 2.695 1.00 0.00 H ATOM 671 N LYS A 170 11.841 9.771 2.233 1.00 8.33 N ATOM 672 CA LYS A 170 10.744 10.256 1.381 1.00 9.07 C ATOM 673 C LYS A 170 9.530 9.330 1.507 1.00 9.34 C ATOM 674 O LYS A 170 9.117 9.019 2.629 1.00 9.21 O ATOM 675 CB LYS A 170 11.227 10.466 -0.070 1.00 10.14 C ATOM 676 CG LYS A 170 12.443 11.388 -0.177 1.00 12.28 C ATOM 677 CD LYS A 170 12.129 12.786 0.350 1.00 16.84 C ATOM 678 CE LYS A 170 13.345 13.709 0.295 1.00 19.75 C ATOM 679 NZ LYS A 170 13.789 13.979 -1.104 1.00 22.30 N ATOM 680 HZ1 LYS A 170 14.044 13.082 -1.565 1.00 0.00 H ATOM 681 HZ2 LYS A 170 13.015 14.433 -1.630 1.00 0.00 H ATOM 682 HZ3 LYS A 170 14.616 14.609 -1.088 1.00 0.00 H ATOM 683 H LYS A 170 12.321 10.439 2.870 1.00 0.00 H ATOM 684 N GLU A 171 8.943 8.910 0.392 1.00 9.90 N ATOM 685 CA GLU A 171 7.805 7.983 0.443 1.00 9.97 C ATOM 686 C GLU A 171 8.295 6.576 0.710 1.00 9.32 C ATOM 687 O GLU A 171 9.086 6.036 -0.046 1.00 11.10 O ATOM 688 CB GLU A 171 7.000 8.011 -0.857 1.00 11.40 C ATOM 689 CG GLU A 171 6.237 9.319 -1.100 1.00 12.89 C ATOM 690 CD GLU A 171 4.972 9.465 -0.262 1.00 15.78 C ATOM 691 OE1 GLU A 171 4.589 8.529 0.468 1.00 16.07 O ATOM 692 OE2 GLU A 171 4.345 10.541 -0.341 1.00 18.30 O ATOM 693 H GLU A 171 9.294 9.242 -0.529 1.00 0.00 H ATOM 694 N HIS A 172 7.825 5.989 1.797 1.00 8.65 N ATOM 695 CA HIS A 172 8.357 4.711 2.242 1.00 9.55 C ATOM 696 C HIS A 172 7.271 3.721 2.662 1.00 8.56 C ATOM 697 O HIS A 172 7.582 2.704 3.296 1.00 10.32 O ATOM 698 CB HIS A 172 9.389 4.926 3.365 1.00 9.00 C ATOM 699 CG HIS A 172 8.812 5.631 4.547 1.00 7.59 C ATOM 700 ND1 HIS A 172 8.684 7.004 4.614 1.00 8.15 N ATOM 701 CD2 HIS A 172 8.273 5.145 5.691 1.00 7.96 C ATOM 702 CE1 HIS A 172 8.083 7.326 5.749 1.00 8.41 C ATOM 703 NE2 HIS A 172 7.825 6.218 6.420 1.00 8.06 N ATOM 704 H HIS A 172 7.066 6.447 2.341 1.00 0.00 H ATOM 705 N GLY A 173 6.013 3.995 2.298 1.00 9.24 N ATOM 706 CA GLY A 173 4.946 3.008 2.434 1.00 10.81 C ATOM 707 C GLY A 173 3.822 3.349 3.387 1.00 10.72 C ATOM 708 O GLY A 173 3.152 2.451 3.877 1.00 11.95 O ATOM 709 H GLY A 173 5.790 4.933 1.909 1.00 0.00 H ATOM 710 N ASP A 174 3.615 4.634 3.672 1.00 10.70 N ATOM 711 CA ASP A 174 2.545 5.070 4.570 1.00 10.78 C ATOM 712 C ASP A 174 2.124 6.499 4.254 1.00 9.48 C ATOM 713 O ASP A 174 2.583 7.061 3.266 1.00 9.83 O ATOM 714 CB ASP A 174 2.938 4.895 6.049 1.00 10.90 C ATOM 715 CG ASP A 174 4.175 5.691 6.442 1.00 9.13 C ATOM 716 OD1 ASP A 174 4.477 6.736 5.838 1.00 9.15 O ATOM 717 OD2 ASP A 174 4.852 5.270 7.415 1.00 10.23 O ATOM 718 H ASP A 174 4.234 5.351 3.242 1.00 0.00 H ATOM 719 N PHE A 175 1.260 7.077 5.085 1.00 10.13 N ATOM 720 CA PHE A 175 0.769 8.438 4.858 1.00 11.67 C ATOM 721 C PHE A 175 1.672 9.520 5.459 1.00 12.32 C ATOM 722 O PHE A 175 1.272 10.685 5.548 1.00 13.94 O ATOM 723 CB PHE A 175 -0.649 8.598 5.428 1.00 11.52 C ATOM 724 CG PHE A 175 -1.728 7.981 4.578 1.00 11.98 C ATOM 725 CD1 PHE A 175 -1.882 8.346 3.251 1.00 13.50 C ATOM 726 CD2 PHE A 175 -2.619 7.063 5.125 1.00 14.20 C ATOM 727 CE1 PHE A 175 -2.906 7.798 2.465 1.00 14.40 C ATOM 728 CE2 PHE A 175 -3.647 6.507 4.343 1.00 15.83 C ATOM 729 CZ PHE A 175 -3.771 6.875 3.019 1.00 14.06 C ATOM 730 H PHE A 175 0.925 6.549 5.916 1.00 0.00 H ATOM 731 N TYR A 176 2.886 9.145 5.857 1.00 11.60 N ATOM 732 CA TYR A 176 3.782 10.050 6.580 1.00 12.22 C ATOM 733 C TYR A 176 5.152 10.083 5.910 1.00 10.82 C ATOM 734 O TYR A 176 6.150 9.685 6.520 1.00 10.64 O ATOM 735 CB TYR A 176 3.874 9.635 8.063 1.00 11.84 C ATOM 736 CG TYR A 176 2.514 9.620 8.733 1.00 12.92 C ATOM 737 CD1 TYR A 176 1.718 8.468 8.731 1.00 13.84 C ATOM 738 CD2 TYR A 176 2.006 10.770 9.330 1.00 17.17 C ATOM 739 CE1 TYR A 176 0.448 8.466 9.313 1.00 15.69 C ATOM 740 CE2 TYR A 176 0.738 10.778 9.919 1.00 18.66 C ATOM 741 CZ TYR A 176 -0.027 9.620 9.901 1.00 17.89 C ATOM 742 OH TYR A 176 -1.282 9.618 10.481 1.00 22.38 O ATOM 743 HH TYR A 176 -1.689 8.721 10.381 1.00 0.00 H ATOM 744 H TYR A 176 3.208 8.179 5.648 1.00 0.00 H ATOM 745 N PRO A 177 5.222 10.583 4.664 1.00 10.52 N ATOM 746 CA PRO A 177 6.516 10.589 3.978 1.00 10.10 C ATOM 747 C PRO A 177 7.524 11.466 4.697 1.00 10.48 C ATOM 748 O PRO A 177 7.164 12.478 5.309 1.00 10.93 O ATOM 749 CB PRO A 177 6.178 11.175 2.604 1.00 12.50 C ATOM 750 CG PRO A 177 4.940 11.990 2.843 1.00 11.79 C ATOM 751 CD PRO A 177 4.162 11.210 3.846 1.00 12.40 C ATOM 752 N PHE A 178 8.782 11.045 4.658 1.00 10.01 N ATOM 753 CA PHE A 178 9.846 11.874 5.179 1.00 9.60 C ATOM 754 C PHE A 178 10.199 12.985 4.191 1.00 10.55 C ATOM 755 O PHE A 178 9.656 13.042 3.078 1.00 11.04 O ATOM 756 CB PHE A 178 11.051 11.022 5.556 1.00 9.22 C ATOM 757 CG PHE A 178 10.827 10.151 6.754 1.00 8.80 C ATOM 758 CD1 PHE A 178 10.425 10.705 7.960 1.00 10.10 C ATOM 759 CD2 PHE A 178 11.068 8.789 6.689 1.00 9.74 C ATOM 760 CE1 PHE A 178 10.253 9.902 9.087 1.00 10.73 C ATOM 761 CE2 PHE A 178 10.899 7.974 7.814 1.00 8.89 C ATOM 762 CZ PHE A 178 10.486 8.529 9.006 1.00 9.97 C ATOM 763 H PHE A 178 9.004 10.114 4.251 1.00 0.00 H ATOM 764 N ASP A 179 11.085 13.874 4.620 1.00 11.01 N ATOM 765 CA ASP A 179 11.231 15.185 4.000 1.00 12.22 C ATOM 766 C ASP A 179 12.680 15.568 3.714 1.00 13.06 C ATOM 767 O ASP A 179 12.990 16.752 3.580 1.00 13.71 O ATOM 768 CB ASP A 179 10.589 16.235 4.915 1.00 13.01 C ATOM 769 CG ASP A 179 11.221 16.280 6.308 1.00 13.24 C ATOM 770 OD1 ASP A 179 12.039 15.384 6.647 1.00 11.28 O ATOM 771 OD2 ASP A 179 10.897 17.220 7.060 1.00 14.37 O ATOM 772 H ASP A 179 11.695 13.628 5.425 1.00 0.00 H ATOM 773 N GLY A 180 13.563 14.583 3.610 1.00 11.27 N ATOM 774 CA GLY A 180 14.984 14.856 3.414 1.00 11.72 C ATOM 775 C GLY A 180 15.651 15.319 4.696 1.00 12.19 C ATOM 776 O GLY A 180 15.085 15.193 5.777 1.00 11.56 O ATOM 777 H GLY A 180 13.237 13.597 3.669 1.00 0.00 H ATOM 778 N PRO A 181 16.877 15.861 4.594 1.00 14.42 N ATOM 779 CA PRO A 181 17.596 16.276 5.811 1.00 15.41 C ATOM 780 C PRO A 181 16.841 17.305 6.655 1.00 18.54 C ATOM 781 O PRO A 181 16.118 18.152 6.117 1.00 22.50 O ATOM 782 CB PRO A 181 18.891 16.894 5.271 1.00 17.20 C ATOM 783 CG PRO A 181 19.031 16.398 3.899 1.00 17.69 C ATOM 784 CD PRO A 181 17.659 16.102 3.369 1.00 15.98 C ATOM 785 N SER A 182 17.026 17.201 7.971 1.00 17.34 N ATOM 786 CA SER A 182 16.361 18.023 8.986 1.00 18.15 C ATOM 787 C SER A 182 14.838 17.888 8.940 1.00 17.02 C ATOM 788 O SER A 182 14.307 16.986 8.272 1.00 16.21 O ATOM 789 CB SER A 182 16.819 19.488 8.924 1.00 19.02 C ATOM 790 OG SER A 182 16.517 20.066 7.672 1.00 18.46 O ATOM 791 HG SER A 182 16.978 19.560 6.957 1.00 0.00 H ATOM 792 H SER A 182 17.696 16.479 8.304 1.00 0.00 H ATOM 793 N GLY A 183 14.133 18.732 9.690 1.00 17.21 N ATOM 794 CA GLY A 183 12.682 18.646 9.784 1.00 15.11 C ATOM 795 C GLY A 183 12.238 17.394 10.519 1.00 14.82 C ATOM 796 O GLY A 183 12.625 17.168 11.673 1.00 15.74 O ATOM 797 H GLY A 183 14.632 19.473 10.223 1.00 0.00 H ATOM 798 N LEU A 184 11.404 16.597 9.857 1.00 12.85 N ATOM 799 CA LEU A 184 10.958 15.314 10.402 1.00 13.61 C ATOM 800 C LEU A 184 12.130 14.361 10.590 1.00 12.21 C ATOM 801 O LEU A 184 13.009 14.273 9.731 1.00 12.70 O ATOM 802 CB LEU A 184 9.949 14.669 9.463 1.00 14.46 C ATOM 803 CG LEU A 184 8.752 15.531 9.104 1.00 14.87 C ATOM 804 CD1 LEU A 184 7.972 14.860 7.992 1.00 17.77 C ATOM 805 CD2 LEU A 184 7.881 15.755 10.321 1.00 18.09 C ATOM 806 H LEU A 184 11.058 16.895 8.923 1.00 0.00 H ATOM 807 N LEU A 185 12.138 13.657 11.715 1.00 11.43 N ATOM 808 CA LEU A 185 13.227 12.721 12.001 1.00 9.74 C ATOM 809 C LEU A 185 12.777 11.267 12.025 1.00 8.86 C ATOM 810 O LEU A 185 13.538 10.385 11.659 1.00 8.16 O ATOM 811 CB LEU A 185 13.876 13.050 13.356 1.00 12.01 C ATOM 812 CG LEU A 185 14.348 14.481 13.613 1.00 15.43 C ATOM 813 CD1 LEU A 185 14.852 14.598 15.047 1.00 18.53 C ATOM 814 CD2 LEU A 185 15.405 14.887 12.599 1.00 17.84 C ATOM 815 H LEU A 185 11.364 13.771 12.400 1.00 0.00 H ATOM 816 N ALA A 186 11.560 11.024 12.502 1.00 8.76 N ATOM 817 CA ALA A 186 11.077 9.681 12.771 1.00 7.72 C ATOM 818 C ALA A 186 9.603 9.773 13.090 1.00 9.07 C ATOM 819 O ALA A 186 9.094 10.854 13.406 1.00 10.02 O ATOM 820 CB ALA A 186 11.820 9.066 13.974 1.00 9.52 C ATOM 821 H ALA A 186 10.928 11.828 12.690 1.00 0.00 H ATOM 822 N HIS A 187 8.919 8.638 13.043 1.00 8.12 N ATOM 823 CA HIS A 187 7.564 8.556 13.595 1.00 7.67 C ATOM 824 C HIS A 187 7.235 7.110 13.924 1.00 7.54 C ATOM 825 O HIS A 187 7.861 6.188 13.404 1.00 7.79 O ATOM 826 CB HIS A 187 6.514 9.133 12.649 1.00 9.26 C ATOM 827 CG HIS A 187 6.623 8.616 11.255 1.00 10.48 C ATOM 828 ND1 HIS A 187 7.119 9.381 10.222 1.00 13.20 N ATOM 829 CD2 HIS A 187 6.354 7.405 10.724 1.00 11.21 C ATOM 830 CE1 HIS A 187 7.112 8.671 9.107 1.00 14.06 C ATOM 831 NE2 HIS A 187 6.644 7.469 9.385 1.00 11.41 N ATOM 832 H HIS A 187 9.349 7.796 12.609 1.00 0.00 H ATOM 833 N ALA A 188 6.251 6.913 14.791 1.00 8.11 N ATOM 834 CA ALA A 188 5.812 5.580 15.175 1.00 7.42 C ATOM 835 C ALA A 188 4.313 5.566 15.338 1.00 8.24 C ATOM 836 O ALA A 188 3.685 6.596 15.634 1.00 10.51 O ATOM 837 CB ALA A 188 6.504 5.154 16.455 1.00 7.94 C ATOM 838 H ALA A 188 5.777 7.739 15.210 1.00 0.00 H ATOM 839 N PHE A 189 3.715 4.403 15.151 1.00 7.47 N ATOM 840 CA PHE A 189 2.267 4.271 15.165 1.00 7.85 C ATOM 841 C PHE A 189 1.829 3.718 16.503 1.00 8.60 C ATOM 842 O PHE A 189 2.508 2.864 17.080 1.00 7.65 O ATOM 843 CB PHE A 189 1.825 3.328 14.052 1.00 8.71 C ATOM 844 CG PHE A 189 2.135 3.825 12.675 1.00 10.00 C ATOM 845 CD1 PHE A 189 3.375 3.598 12.092 1.00 10.84 C ATOM 846 CD2 PHE A 189 1.168 4.511 11.947 1.00 13.67 C ATOM 847 CE1 PHE A 189 3.657 4.058 10.802 1.00 15.08 C ATOM 848 CE2 PHE A 189 1.436 4.960 10.660 1.00 18.81 C ATOM 849 CZ PHE A 189 2.690 4.737 10.094 1.00 17.47 C ATOM 850 H PHE A 189 4.297 3.557 14.989 1.00 0.00 H ATOM 851 N PRO A 190 0.655 4.153 16.979 1.00 8.81 N ATOM 852 CA PRO A 190 0.134 3.630 18.240 1.00 8.93 C ATOM 853 C PRO A 190 -0.176 2.131 18.168 1.00 8.66 C ATOM 854 O PRO A 190 -0.263 1.565 17.078 1.00 8.31 O ATOM 855 CB PRO A 190 -1.162 4.437 18.452 1.00 11.86 C ATOM 856 CG PRO A 190 -1.177 5.507 17.446 1.00 14.74 C ATOM 857 CD PRO A 190 -0.245 5.142 16.349 1.00 9.87 C ATOM 858 N PRO A 191 -0.369 1.496 19.327 1.00 8.31 N ATOM 859 CA PRO A 191 -0.671 0.063 19.345 1.00 9.36 C ATOM 860 C PRO A 191 -1.841 -0.306 18.443 1.00 10.61 C ATOM 861 O PRO A 191 -2.859 0.399 18.394 1.00 11.34 O ATOM 862 CB PRO A 191 -1.034 -0.192 20.812 1.00 9.55 C ATOM 863 CG PRO A 191 -0.257 0.847 21.567 1.00 9.47 C ATOM 864 CD PRO A 191 -0.293 2.057 20.691 1.00 8.96 C ATOM 865 N GLY A 192 -1.681 -1.417 17.731 1.00 10.13 N ATOM 866 CA GLY A 192 -2.712 -1.927 16.857 1.00 11.40 C ATOM 867 C GLY A 192 -2.114 -2.889 15.855 1.00 11.81 C ATOM 868 O GLY A 192 -0.904 -3.123 15.849 1.00 12.11 O ATOM 869 H GLY A 192 -0.783 -1.937 17.806 1.00 0.00 H ATOM 870 N PRO A 193 -2.964 -3.463 14.991 1.00 13.41 N ATOM 871 CA PRO A 193 -2.496 -4.407 13.969 1.00 14.33 C ATOM 872 C PRO A 193 -1.717 -3.720 12.847 1.00 12.79 C ATOM 873 O PRO A 193 -1.770 -2.497 12.707 1.00 12.09 O ATOM 874 CB PRO A 193 -3.797 -5.031 13.440 1.00 17.56 C ATOM 875 CG PRO A 193 -4.850 -4.020 13.728 1.00 17.62 C ATOM 876 CD PRO A 193 -4.424 -3.261 14.953 1.00 14.98 C ATOM 877 N ASN A 194 -1.003 -4.517 12.042 1.00 13.47 N ATOM 878 CA ASN A 194 -0.292 -4.031 10.856 1.00 14.64 C ATOM 879 C ASN A 194 0.744 -2.974 11.228 1.00 11.65 C ATOM 880 O ASN A 194 1.672 -3.254 12.004 1.00 11.47 O ATOM 881 CB ASN A 194 -1.266 -3.521 9.767 1.00 16.26 C ATOM 882 CG ASN A 194 -2.154 -4.610 9.214 1.00 22.01 C ATOM 883 OD1 ASN A 194 -3.060 -5.099 9.897 1.00 20.65 O ATOM 884 ND2 ASN A 194 -1.913 -4.982 7.960 1.00 26.39 N ATOM 885 HD22 ASN A 194 -1.138 -4.540 7.426 1.00 0.00 H ATOM 886 HD21 ASN A 194 -2.500 -5.715 7.513 1.00 0.00 H ATOM 887 H ASN A 194 -0.950 -5.530 12.269 1.00 0.00 H ATOM 888 N TYR A 195 0.568 -1.772 10.713 1.00 12.60 N ATOM 889 CA TYR A 195 1.495 -0.697 10.969 1.00 12.11 C ATOM 890 C TYR A 195 1.479 -0.211 12.431 1.00 10.52 C ATOM 891 O TYR A 195 2.389 0.494 12.853 1.00 9.69 O ATOM 892 CB TYR A 195 1.233 0.441 9.983 1.00 14.29 C ATOM 893 CG TYR A 195 -0.151 1.039 10.094 1.00 10.77 C ATOM 894 CD1 TYR A 195 -0.412 2.008 11.056 1.00 16.93 C ATOM 895 CD2 TYR A 195 -1.197 0.646 9.245 1.00 12.47 C ATOM 896 CE1 TYR A 195 -1.658 2.582 11.185 1.00 16.43 C ATOM 897 CE2 TYR A 195 -2.463 1.232 9.369 1.00 14.30 C ATOM 898 CZ TYR A 195 -2.679 2.195 10.345 1.00 17.78 C ATOM 899 OH TYR A 195 -3.904 2.794 10.500 1.00 20.62 O ATOM 900 HH TYR A 195 -4.150 3.260 9.662 1.00 0.00 H ATOM 901 H TYR A 195 -0.259 -1.595 10.108 1.00 0.00 H ATOM 902 N GLY A 196 0.456 -0.599 13.194 1.00 9.12 N ATOM 903 CA GLY A 196 0.391 -0.289 14.621 1.00 8.54 C ATOM 904 C GLY A 196 1.666 -0.734 15.325 1.00 8.12 C ATOM 905 O GLY A 196 2.161 -1.837 15.102 1.00 7.90 O ATOM 906 H GLY A 196 -0.320 -1.139 12.760 1.00 0.00 H ATOM 907 N GLY A 197 2.201 0.136 16.172 1.00 7.16 N ATOM 908 CA GLY A 197 3.452 -0.151 16.874 1.00 7.68 C ATOM 909 C GLY A 197 4.722 0.119 16.096 1.00 6.09 C ATOM 910 O GLY A 197 5.783 0.247 16.700 1.00 6.79 O ATOM 911 H GLY A 197 1.720 1.043 16.341 1.00 0.00 H ATOM 912 N ASP A 198 4.660 0.173 14.771 1.00 7.03 N ATOM 913 CA ASP A 198 5.878 0.229 13.967 1.00 7.05 C ATOM 914 C ASP A 198 6.569 1.581 14.102 1.00 7.26 C ATOM 915 O ASP A 198 5.925 2.592 14.373 1.00 7.72 O ATOM 916 CB ASP A 198 5.568 -0.062 12.494 1.00 7.62 C ATOM 917 CG ASP A 198 5.049 -1.474 12.238 1.00 7.01 C ATOM 918 OD1 ASP A 198 4.864 -2.297 13.170 1.00 7.50 O ATOM 919 OD2 ASP A 198 4.822 -1.761 11.032 1.00 8.69 O ATOM 920 H ASP A 198 3.733 0.175 14.300 1.00 0.00 H ATOM 921 N ALA A 199 7.883 1.578 13.929 1.00 6.87 N ATOM 922 CA ALA A 199 8.686 2.785 14.079 1.00 6.41 C ATOM 923 C ALA A 199 9.562 2.968 12.862 1.00 6.38 C ATOM 924 O ALA A 199 10.266 2.031 12.448 1.00 6.78 O ATOM 925 CB ALA A 199 9.544 2.709 15.331 1.00 8.07 C ATOM 926 H ALA A 199 8.356 0.686 13.678 1.00 0.00 H ATOM 927 N HIS A 200 9.504 4.168 12.291 1.00 6.13 N ATOM 928 CA HIS A 200 10.244 4.517 11.081 1.00 6.75 C ATOM 929 C HIS A 200 11.179 5.673 11.348 1.00 6.31 C ATOM 930 O HIS A 200 10.782 6.647 11.971 1.00 7.67 O ATOM 931 CB HIS A 200 9.271 4.929 9.964 1.00 7.86 C ATOM 932 CG HIS A 200 8.313 3.852 9.556 1.00 7.30 C ATOM 933 ND1 HIS A 200 7.195 4.118 8.794 1.00 7.41 N ATOM 934 CD2 HIS A 200 8.310 2.514 9.776 1.00 8.41 C ATOM 935 CE1 HIS A 200 6.546 2.993 8.561 1.00 9.83 C ATOM 936 NE2 HIS A 200 7.190 2.005 9.160 1.00 8.96 N ATOM 937 H HIS A 200 8.901 4.894 12.728 1.00 0.00 H ATOM 938 N PHE A 201 12.416 5.575 10.845 1.00 6.22 N ATOM 939 CA PHE A 201 13.466 6.579 11.034 1.00 6.31 C ATOM 940 C PHE A 201 13.912 7.097 9.685 1.00 6.85 C ATOM 941 O PHE A 201 14.128 6.318 8.761 1.00 7.54 O ATOM 942 CB PHE A 201 14.637 5.954 11.802 1.00 6.79 C ATOM 943 CG PHE A 201 14.255 5.512 13.174 1.00 6.99 C ATOM 944 CD1 PHE A 201 14.471 6.331 14.276 1.00 7.55 C ATOM 945 CD2 PHE A 201 13.656 4.271 13.371 1.00 7.33 C ATOM 946 CE1 PHE A 201 14.080 5.929 15.546 1.00 8.40 C ATOM 947 CE2 PHE A 201 13.249 3.866 14.636 1.00 7.81 C ATOM 948 CZ PHE A 201 13.468 4.699 15.734 1.00 9.40 C ATOM 949 H PHE A 201 12.647 4.731 10.283 1.00 0.00 H ATOM 950 N ASP A 202 14.035 8.415 9.584 1.00 6.78 N ATOM 951 CA ASP A 202 14.379 9.073 8.319 1.00 7.50 C ATOM 952 C ASP A 202 15.865 8.902 8.047 1.00 7.01 C ATOM 953 O ASP A 202 16.718 9.429 8.769 1.00 8.34 O ATOM 954 CB ASP A 202 14.000 10.557 8.413 1.00 7.52 C ATOM 955 CG ASP A 202 14.180 11.323 7.105 1.00 9.02 C ATOM 956 OD1 ASP A 202 14.721 10.769 6.129 1.00 8.38 O ATOM 957 OD2 ASP A 202 13.754 12.510 7.079 1.00 9.58 O ATOM 958 H ASP A 202 13.882 9.000 10.430 1.00 0.00 H ATOM 959 N ASP A 203 16.179 8.139 7.003 1.00 7.59 N ATOM 960 CA ASP A 203 17.573 7.886 6.687 1.00 8.69 C ATOM 961 C ASP A 203 18.244 8.993 5.865 1.00 9.09 C ATOM 962 O ASP A 203 19.340 8.792 5.346 1.00 10.90 O ATOM 963 CB ASP A 203 17.787 6.488 6.096 1.00 10.18 C ATOM 964 CG ASP A 203 18.902 5.728 6.813 1.00 11.90 C ATOM 965 OD1 ASP A 203 19.710 6.354 7.550 1.00 13.09 O ATOM 966 OD2 ASP A 203 18.969 4.502 6.630 1.00 12.84 O ATOM 967 H ASP A 203 15.428 7.725 6.415 1.00 0.00 H ATOM 968 N ASP A 204 17.591 10.151 5.761 1.00 8.52 N ATOM 969 CA ASP A 204 18.268 11.371 5.348 1.00 9.25 C ATOM 970 C ASP A 204 18.824 12.147 6.552 1.00 10.15 C ATOM 971 O ASP A 204 19.440 13.183 6.363 1.00 11.47 O ATOM 972 CB ASP A 204 17.348 12.239 4.486 1.00 9.09 C ATOM 973 CG ASP A 204 17.286 11.771 3.036 1.00 8.15 C ATOM 974 OD1 ASP A 204 18.313 11.286 2.505 1.00 9.46 O ATOM 975 OD2 ASP A 204 16.202 11.897 2.431 1.00 9.21 O ATOM 976 H ASP A 204 16.575 10.183 5.980 1.00 0.00 H ATOM 977 N GLU A 205 18.611 11.657 7.772 1.00 10.19 N ATOM 978 CA GLU A 205 19.277 12.215 8.960 1.00 10.88 C ATOM 979 C GLU A 205 20.544 11.457 9.274 1.00 10.33 C ATOM 980 O GLU A 205 20.703 10.311 8.859 1.00 13.10 O ATOM 981 CB GLU A 205 18.366 12.139 10.183 1.00 11.66 C ATOM 982 CG GLU A 205 16.961 12.709 9.965 1.00 13.95 C ATOM 983 CD GLU A 205 16.950 14.133 9.419 1.00 15.94 C ATOM 984 OE1 GLU A 205 17.924 14.891 9.584 1.00 14.41 O ATOM 985 OE2 GLU A 205 15.932 14.493 8.790 1.00 20.53 O ATOM 986 H GLU A 205 17.956 10.858 7.888 1.00 0.00 H ATOM 987 N THR A 206 21.431 12.069 10.054 1.00 10.57 N ATOM 988 CA THR A 206 22.607 11.376 10.560 1.00 11.52 C ATOM 989 C THR A 206 22.335 10.807 11.951 1.00 9.65 C ATOM 990 O THR A 206 22.167 11.569 12.921 1.00 11.39 O ATOM 991 CB THR A 206 23.823 12.309 10.611 1.00 12.97 C ATOM 992 OG1 THR A 206 24.108 12.762 9.286 1.00 15.95 O ATOM 993 CG2 THR A 206 25.047 11.601 11.169 1.00 15.94 C ATOM 994 HG1 THR A 206 24.305 11.983 8.707 1.00 0.00 H ATOM 995 H THR A 206 21.281 13.066 10.308 1.00 0.00 H ATOM 996 N TRP A 207 22.297 9.484 12.040 1.00 8.69 N ATOM 997 CA TRP A 207 22.020 8.771 13.277 1.00 8.54 C ATOM 998 C TRP A 207 23.324 8.401 13.949 1.00 8.28 C ATOM 999 O TRP A 207 24.255 7.945 13.289 1.00 9.47 O ATOM 1000 CB TRP A 207 21.196 7.506 12.978 1.00 8.11 C ATOM 1001 CG TRP A 207 19.864 7.870 12.413 1.00 8.06 C ATOM 1002 CD1 TRP A 207 19.475 7.783 11.107 1.00 7.99 C ATOM 1003 CD2 TRP A 207 18.785 8.497 13.113 1.00 7.01 C ATOM 1004 NE1 TRP A 207 18.202 8.296 10.954 1.00 9.22 N ATOM 1005 CE2 TRP A 207 17.760 8.743 12.171 1.00 7.84 C ATOM 1006 CE3 TRP A 207 18.582 8.879 14.449 1.00 8.24 C ATOM 1007 CZ2 TRP A 207 16.552 9.343 12.527 1.00 9.21 C ATOM 1008 CZ3 TRP A 207 17.384 9.480 14.793 1.00 8.78 C ATOM 1009 CH2 TRP A 207 16.386 9.695 13.840 1.00 8.84 C ATOM 1010 HE1 TRP A 207 17.668 8.336 10.063 1.00 0.00 H ATOM 1011 H TRP A 207 22.475 8.927 11.180 1.00 0.00 H ATOM 1012 N THR A 208 23.404 8.582 15.262 1.00 7.97 N ATOM 1013 CA THR A 208 24.653 8.325 15.982 1.00 8.04 C ATOM 1014 C THR A 208 24.435 7.625 17.314 1.00 9.43 C ATOM 1015 O THR A 208 23.308 7.516 17.812 1.00 9.25 O ATOM 1016 CB THR A 208 25.396 9.633 16.302 1.00 9.77 C ATOM 1017 OG1 THR A 208 24.713 10.301 17.377 1.00 11.10 O ATOM 1018 CG2 THR A 208 25.533 10.539 15.077 1.00 12.24 C ATOM 1019 HG1 THR A 208 25.184 11.145 17.591 1.00 0.00 H ATOM 1020 H THR A 208 22.568 8.911 15.786 1.00 0.00 H ATOM 1021 N SER A 209 25.544 7.177 17.895 1.00 10.18 N ATOM 1022 CA SER A 209 25.627 6.740 19.278 1.00 13.08 C ATOM 1023 C SER A 209 26.410 7.767 20.100 1.00 13.69 C ATOM 1024 O SER A 209 27.132 7.405 21.040 1.00 17.72 O ATOM 1025 CB SER A 209 26.336 5.384 19.355 1.00 15.85 C ATOM 1026 OG SER A 209 27.610 5.446 18.736 1.00 23.44 O ATOM 1027 HG SER A 209 28.166 6.124 19.195 1.00 0.00 H ATOM 1028 H SER A 209 26.410 7.137 17.321 1.00 0.00 H ATOM 1029 N SER A 210 26.280 9.041 19.755 1.00 11.70 N ATOM 1030 CA SER A 210 27.028 10.110 20.427 1.00 12.37 C ATOM 1031 C SER A 210 26.123 11.324 20.592 1.00 13.04 C ATOM 1032 O SER A 210 24.897 11.232 20.402 1.00 12.13 O ATOM 1033 CB SER A 210 28.258 10.484 19.592 1.00 14.39 C ATOM 1034 OG SER A 210 27.870 11.187 18.433 1.00 15.78 O ATOM 1035 HG SER A 210 28.674 11.421 17.905 1.00 0.00 H ATOM 1036 H SER A 210 25.628 9.290 18.984 1.00 0.00 H ATOM 1037 N SER A 211 26.727 12.471 20.918 1.00 14.25 N ATOM 1038 CA SER A 211 26.015 13.748 20.965 1.00 14.63 C ATOM 1039 C SER A 211 25.869 14.387 19.587 1.00 14.15 C ATOM 1040 O SER A 211 25.172 15.385 19.433 1.00 16.92 O ATOM 1041 CB SER A 211 26.720 14.728 21.907 1.00 15.96 C ATOM 1042 OG SER A 211 27.956 15.160 21.359 1.00 17.48 O ATOM 1043 HG SER A 211 28.544 14.377 21.217 1.00 0.00 H ATOM 1044 H SER A 211 27.741 12.455 21.147 1.00 0.00 H ATOM 1045 N LYS A 212 26.552 13.835 18.590 1.00 12.98 N ATOM 1046 CA LYS A 212 26.512 14.382 17.240 1.00 15.26 C ATOM 1047 C LYS A 212 25.242 13.931 16.527 1.00 14.24 C ATOM 1048 O LYS A 212 24.623 12.949 16.924 1.00 13.56 O ATOM 1049 CB LYS A 212 27.749 13.954 16.444 1.00 16.31 C ATOM 1050 CG LYS A 212 29.080 14.368 17.076 1.00 18.38 C ATOM 1051 CD LYS A 212 29.165 15.882 17.271 1.00 21.24 C ATOM 1052 CE LYS A 212 30.456 16.296 17.957 1.00 20.79 C ATOM 1053 NZ LYS A 212 30.407 17.736 18.350 1.00 20.83 N ATOM 1054 HZ1 LYS A 212 30.274 18.322 17.501 1.00 0.00 H ATOM 1055 HZ2 LYS A 212 29.614 17.888 19.005 1.00 0.00 H ATOM 1056 HZ3 LYS A 212 31.299 17.997 18.817 1.00 0.00 H ATOM 1057 H LYS A 212 27.130 12.991 18.778 1.00 0.00 H ATOM 1058 N GLY A 213 24.858 14.644 15.474 1.00 14.78 N ATOM 1059 CA GLY A 213 23.664 14.294 14.702 1.00 14.04 C ATOM 1060 C GLY A 213 22.459 14.109 15.609 1.00 13.47 C ATOM 1061 O GLY A 213 22.213 14.911 16.516 1.00 14.50 O ATOM 1062 H GLY A 213 25.420 15.472 15.191 1.00 0.00 H ATOM 1063 N TYR A 214 21.705 13.041 15.370 1.00 11.44 N ATOM 1064 CA TYR A 214 20.626 12.655 16.270 1.00 10.11 C ATOM 1065 C TYR A 214 20.969 11.328 16.909 1.00 8.80 C ATOM 1066 O TYR A 214 21.280 10.358 16.212 1.00 9.66 O ATOM 1067 CB TYR A 214 19.286 12.602 15.521 1.00 10.15 C ATOM 1068 CG TYR A 214 18.768 13.989 15.178 1.00 17.14 C ATOM 1069 CD1 TYR A 214 18.105 14.748 16.143 1.00 18.71 C ATOM 1070 CD2 TYR A 214 18.963 14.554 13.916 1.00 20.46 C ATOM 1071 CE1 TYR A 214 17.634 16.033 15.871 1.00 21.29 C ATOM 1072 CE2 TYR A 214 18.496 15.859 13.631 1.00 23.69 C ATOM 1073 CZ TYR A 214 17.827 16.578 14.621 1.00 20.87 C ATOM 1074 OH TYR A 214 17.339 17.850 14.385 1.00 25.83 O ATOM 1075 HH TYR A 214 16.899 18.191 15.204 1.00 0.00 H ATOM 1076 H TYR A 214 21.889 12.468 14.522 1.00 0.00 H ATOM 1077 N ASN A 215 20.935 11.296 18.235 1.00 8.05 N ATOM 1078 CA ASN A 215 21.208 10.082 18.978 1.00 8.32 C ATOM 1079 C ASN A 215 20.069 9.079 18.784 1.00 8.53 C ATOM 1080 O ASN A 215 18.911 9.342 19.154 1.00 8.66 O ATOM 1081 CB ASN A 215 21.423 10.419 20.456 1.00 8.36 C ATOM 1082 CG ASN A 215 21.832 9.211 21.265 1.00 8.94 C ATOM 1083 OD1 ASN A 215 20.991 8.464 21.772 1.00 10.10 O ATOM 1084 ND2 ASN A 215 23.130 9.008 21.402 1.00 10.28 N ATOM 1085 HD22 ASN A 215 23.808 9.661 20.959 1.00 0.00 H ATOM 1086 HD21 ASN A 215 23.474 8.196 21.953 1.00 0.00 H ATOM 1087 H ASN A 215 20.706 12.167 18.756 1.00 0.00 H ATOM 1088 N LEU A 216 20.396 7.939 18.178 1.00 7.70 N ATOM 1089 CA LEU A 216 19.376 6.966 17.825 1.00 7.18 C ATOM 1090 C LEU A 216 18.655 6.425 19.058 1.00 7.08 C ATOM 1091 O LEU A 216 17.425 6.289 19.049 1.00 7.16 O ATOM 1092 CB LEU A 216 19.976 5.831 16.999 1.00 7.71 C ATOM 1093 CG LEU A 216 18.978 4.770 16.518 1.00 7.46 C ATOM 1094 CD1 LEU A 216 17.927 5.330 15.559 1.00 8.23 C ATOM 1095 CD2 LEU A 216 19.735 3.600 15.884 1.00 8.65 C ATOM 1096 H LEU A 216 21.393 7.743 17.955 1.00 0.00 H ATOM 1097 N PHE A 217 19.412 6.091 20.101 1.00 7.25 N ATOM 1098 CA PHE A 217 18.804 5.627 21.345 1.00 7.41 C ATOM 1099 C PHE A 217 17.715 6.585 21.853 1.00 6.73 C ATOM 1100 O PHE A 217 16.588 6.165 22.160 1.00 7.17 O ATOM 1101 CB PHE A 217 19.873 5.405 22.421 1.00 9.25 C ATOM 1102 CG PHE A 217 19.327 5.437 23.816 1.00 7.94 C ATOM 1103 CD1 PHE A 217 18.498 4.418 24.278 1.00 9.31 C ATOM 1104 CD2 PHE A 217 19.614 6.505 24.664 1.00 10.04 C ATOM 1105 CE1 PHE A 217 17.954 4.459 25.563 1.00 9.98 C ATOM 1106 CE2 PHE A 217 19.079 6.553 25.965 1.00 11.63 C ATOM 1107 CZ PHE A 217 18.246 5.529 26.411 1.00 10.38 C ATOM 1108 H PHE A 217 20.447 6.161 20.029 1.00 0.00 H ATOM 1109 N LEU A 218 18.030 7.870 21.924 1.00 7.21 N ATOM 1110 CA LEU A 218 17.088 8.831 22.500 1.00 7.43 C ATOM 1111 C LEU A 218 15.839 8.974 21.635 1.00 7.65 C ATOM 1112 O LEU A 218 14.706 8.978 22.146 1.00 7.54 O ATOM 1113 CB LEU A 218 17.733 10.196 22.709 1.00 8.76 C ATOM 1114 CG LEU A 218 18.749 10.278 23.842 1.00 9.78 C ATOM 1115 CD1 LEU A 218 19.486 11.611 23.822 1.00 11.73 C ATOM 1116 CD2 LEU A 218 18.099 10.054 25.203 1.00 13.13 C ATOM 1117 H LEU A 218 18.951 8.197 21.569 1.00 0.00 H ATOM 1118 N VAL A 219 16.033 9.104 20.324 1.00 7.06 N ATOM 1119 CA VAL A 219 14.880 9.221 19.438 1.00 7.29 C ATOM 1120 C VAL A 219 14.045 7.950 19.465 1.00 6.91 C ATOM 1121 O VAL A 219 12.811 8.013 19.526 1.00 7.01 O ATOM 1122 CB VAL A 219 15.279 9.614 18.004 1.00 7.02 C ATOM 1123 CG1 VAL A 219 14.057 9.683 17.108 1.00 8.13 C ATOM 1124 CG2 VAL A 219 15.980 10.971 18.030 1.00 8.81 C ATOM 1125 H VAL A 219 16.997 9.122 19.935 1.00 0.00 H ATOM 1126 N ALA A 220 14.704 6.797 19.443 1.00 6.31 N ATOM 1127 CA ALA A 220 13.976 5.533 19.500 1.00 6.73 C ATOM 1128 C ALA A 220 13.198 5.394 20.799 1.00 6.41 C ATOM 1129 O ALA A 220 12.075 4.898 20.785 1.00 6.73 O ATOM 1130 CB ALA A 220 14.929 4.346 19.306 1.00 7.34 C ATOM 1131 H ALA A 220 15.742 6.795 19.385 1.00 0.00 H ATOM 1132 N ALA A 221 13.786 5.816 21.920 1.00 6.38 N ATOM 1133 CA ALA A 221 13.078 5.698 23.194 1.00 6.76 C ATOM 1134 C ALA A 221 11.781 6.511 23.141 1.00 6.11 C ATOM 1135 O ALA A 221 10.729 6.035 23.590 1.00 7.03 O ATOM 1136 CB ALA A 221 13.974 6.124 24.355 1.00 8.02 C ATOM 1137 H ALA A 221 14.741 6.226 21.888 1.00 0.00 H ATOM 1138 N HIS A 222 11.847 7.721 22.586 1.00 6.13 N ATOM 1139 CA HIS A 222 10.651 8.530 22.369 1.00 6.33 C ATOM 1140 C HIS A 222 9.632 7.826 21.458 1.00 6.17 C ATOM 1141 O HIS A 222 8.447 7.699 21.791 1.00 7.11 O ATOM 1142 CB HIS A 222 11.057 9.882 21.769 1.00 7.47 C ATOM 1143 CG HIS A 222 9.893 10.742 21.359 1.00 6.88 C ATOM 1144 ND1 HIS A 222 9.426 11.779 22.141 1.00 7.22 N ATOM 1145 CD2 HIS A 222 9.122 10.743 20.240 1.00 8.60 C ATOM 1146 CE1 HIS A 222 8.409 12.366 21.528 1.00 8.04 C ATOM 1147 NE2 HIS A 222 8.204 11.761 20.374 1.00 7.94 N ATOM 1148 H HIS A 222 12.773 8.098 22.300 1.00 0.00 H ATOM 1149 N GLU A 223 10.095 7.348 20.304 1.00 6.57 N ATOM 1150 CA GLU A 223 9.194 6.714 19.341 1.00 6.24 C ATOM 1151 C GLU A 223 8.553 5.462 19.916 1.00 6.20 C ATOM 1152 O GLU A 223 7.371 5.228 19.706 1.00 6.59 O ATOM 1153 CB GLU A 223 9.911 6.430 18.017 1.00 7.18 C ATOM 1154 CG GLU A 223 10.363 7.707 17.288 1.00 8.39 C ATOM 1155 CD GLU A 223 9.250 8.691 16.970 1.00 8.33 C ATOM 1156 OE1 GLU A 223 8.087 8.287 16.823 1.00 10.08 O ATOM 1157 OE2 GLU A 223 9.548 9.907 16.842 1.00 11.02 O ATOM 1158 H GLU A 223 11.109 7.426 20.085 1.00 0.00 H ATOM 1159 N PHE A 224 9.313 4.673 20.675 1.00 5.89 N ATOM 1160 CA PHE A 224 8.742 3.490 21.284 1.00 6.44 C ATOM 1161 C PHE A 224 7.686 3.847 22.325 1.00 6.64 C ATOM 1162 O PHE A 224 6.759 3.068 22.540 1.00 6.30 O ATOM 1163 CB PHE A 224 9.800 2.552 21.862 1.00 7.04 C ATOM 1164 CG PHE A 224 10.773 2.003 20.837 1.00 6.95 C ATOM 1165 CD1 PHE A 224 12.015 1.566 21.245 1.00 6.92 C ATOM 1166 CD2 PHE A 224 10.457 1.930 19.481 1.00 7.60 C ATOM 1167 CE1 PHE A 224 12.933 1.059 20.337 1.00 7.98 C ATOM 1168 CE2 PHE A 224 11.383 1.438 18.555 1.00 9.34 C ATOM 1169 CZ PHE A 224 12.616 1.001 18.989 1.00 8.94 C ATOM 1170 H PHE A 224 10.315 4.907 20.830 1.00 0.00 H ATOM 1171 N GLY A 225 7.776 5.034 22.933 1.00 6.26 N ATOM 1172 CA GLY A 225 6.673 5.515 23.765 1.00 6.79 C ATOM 1173 C GLY A 225 5.373 5.572 22.976 1.00 6.97 C ATOM 1174 O GLY A 225 4.330 5.122 23.452 1.00 6.73 O ATOM 1175 H GLY A 225 8.630 5.616 22.815 1.00 0.00 H ATOM 1176 N HIS A 226 5.431 6.087 21.745 1.00 6.74 N ATOM 1177 CA HIS A 226 4.262 6.049 20.863 1.00 6.65 C ATOM 1178 C HIS A 226 3.836 4.633 20.528 1.00 6.56 C ATOM 1179 O HIS A 226 2.648 4.319 20.565 1.00 7.38 O ATOM 1180 CB HIS A 226 4.517 6.804 19.560 1.00 8.28 C ATOM 1181 CG HIS A 226 4.772 8.271 19.727 1.00 7.23 C ATOM 1182 ND1 HIS A 226 3.985 9.099 20.502 1.00 8.65 N ATOM 1183 CD2 HIS A 226 5.681 9.073 19.131 1.00 7.68 C ATOM 1184 CE1 HIS A 226 4.432 10.339 20.410 1.00 8.13 C ATOM 1185 NE2 HIS A 226 5.459 10.356 19.579 1.00 8.22 N ATOM 1186 H HIS A 226 6.315 6.519 21.409 1.00 0.00 H ATOM 1187 N SER A 227 4.802 3.776 20.190 1.00 6.71 N ATOM 1188 CA SER A 227 4.513 2.376 19.869 1.00 6.90 C ATOM 1189 C SER A 227 3.719 1.703 20.975 1.00 6.69 C ATOM 1190 O SER A 227 2.996 0.732 20.718 1.00 8.27 O ATOM 1191 CB SER A 227 5.800 1.577 19.671 1.00 7.64 C ATOM 1192 OG SER A 227 6.560 2.089 18.607 1.00 7.60 O ATOM 1193 HG SER A 227 6.029 2.044 17.772 1.00 0.00 H ATOM 1194 H SER A 227 5.786 4.111 20.154 1.00 0.00 H ATOM 1195 N LEU A 228 3.901 2.174 22.215 1.00 6.70 N ATOM 1196 CA LEU A 228 3.268 1.586 23.387 1.00 7.33 C ATOM 1197 C LEU A 228 2.001 2.292 23.839 1.00 7.39 C ATOM 1198 O LEU A 228 1.298 1.784 24.720 1.00 8.34 O ATOM 1199 CB LEU A 228 4.258 1.546 24.547 1.00 7.47 C ATOM 1200 CG LEU A 228 5.496 0.693 24.289 1.00 6.87 C ATOM 1201 CD1 LEU A 228 6.468 0.837 25.444 1.00 8.70 C ATOM 1202 CD2 LEU A 228 5.150 -0.774 24.068 1.00 9.90 C ATOM 1203 H LEU A 228 4.523 2.997 22.347 1.00 0.00 H ATOM 1204 N GLY A 229 1.707 3.452 23.259 1.00 7.98 N ATOM 1205 CA GLY A 229 0.451 4.139 23.554 1.00 8.58 C ATOM 1206 C GLY A 229 0.542 5.515 24.197 1.00 7.18 C ATOM 1207 O GLY A 229 -0.487 6.071 24.583 1.00 8.65 O ATOM 1208 H GLY A 229 2.379 3.875 22.587 1.00 0.00 H ATOM 1209 N LEU A 230 1.744 6.075 24.329 1.00 7.21 N ATOM 1210 CA LEU A 230 1.866 7.461 24.785 1.00 7.99 C ATOM 1211 C LEU A 230 1.840 8.419 23.627 1.00 7.60 C ATOM 1212 O LEU A 230 2.492 8.173 22.603 1.00 9.04 O ATOM 1213 CB LEU A 230 3.156 7.684 25.582 1.00 8.20 C ATOM 1214 CG LEU A 230 3.241 6.897 26.896 1.00 9.18 C ATOM 1215 CD1 LEU A 230 4.534 7.251 27.612 1.00 11.62 C ATOM 1216 CD2 LEU A 230 2.050 7.130 27.818 1.00 13.14 C ATOM 1217 H LEU A 230 2.599 5.525 24.107 1.00 0.00 H ATOM 1218 N ASP A 231 1.126 9.518 23.803 1.00 7.47 N ATOM 1219 CA ASP A 231 1.192 10.636 22.882 1.00 8.79 C ATOM 1220 C ASP A 231 2.189 11.646 23.472 1.00 7.34 C ATOM 1221 O ASP A 231 2.987 11.298 24.350 1.00 8.66 O ATOM 1222 CB ASP A 231 -0.206 11.232 22.688 1.00 10.32 C ATOM 1223 CG ASP A 231 -0.383 11.927 21.340 1.00 15.59 C ATOM 1224 OD1 ASP A 231 0.617 12.209 20.657 1.00 15.69 O ATOM 1225 OD2 ASP A 231 -1.543 12.191 20.968 1.00 18.48 O ATOM 1226 H ASP A 231 0.497 9.583 24.629 1.00 0.00 H ATOM 1227 N HIS A 232 2.184 12.881 22.991 1.00 9.78 N ATOM 1228 CA HIS A 232 3.136 13.875 23.465 1.00 8.97 C ATOM 1229 C HIS A 232 2.789 14.463 24.814 1.00 9.68 C ATOM 1230 O HIS A 232 1.620 14.533 25.181 1.00 11.88 O ATOM 1231 CB HIS A 232 3.313 14.970 22.417 1.00 10.19 C ATOM 1232 CG HIS A 232 4.034 14.482 21.210 1.00 8.69 C ATOM 1233 ND1 HIS A 232 3.653 14.777 19.918 1.00 11.38 N ATOM 1234 CD2 HIS A 232 5.106 13.664 21.104 1.00 9.31 C ATOM 1235 CE1 HIS A 232 4.476 14.183 19.071 1.00 11.33 C ATOM 1236 NE2 HIS A 232 5.355 13.483 19.767 1.00 9.00 N ATOM 1237 H HIS A 232 1.489 13.144 22.263 1.00 0.00 H ATOM 1238 N SER A 233 3.818 14.883 25.537 1.00 9.56 N ATOM 1239 CA SER A 233 3.703 15.515 26.843 1.00 9.65 C ATOM 1240 C SER A 233 3.954 17.012 26.761 1.00 10.00 C ATOM 1241 O SER A 233 4.741 17.456 25.917 1.00 10.96 O ATOM 1242 CB SER A 233 4.772 14.940 27.757 1.00 9.99 C ATOM 1243 OG SER A 233 4.791 15.640 28.998 1.00 10.72 O ATOM 1244 HG SER A 233 5.491 15.255 29.582 1.00 0.00 H ATOM 1245 H SER A 233 4.772 14.752 25.144 1.00 0.00 H ATOM 1246 N LYS A 234 3.358 17.781 27.672 1.00 10.37 N ATOM 1247 CA LYS A 234 3.666 19.219 27.749 1.00 12.23 C ATOM 1248 C LYS A 234 4.860 19.546 28.667 1.00 13.16 C ATOM 1249 O LYS A 234 5.278 20.702 28.761 1.00 14.73 O ATOM 1250 CB LYS A 234 2.438 20.035 28.160 1.00 13.35 C ATOM 1251 CG LYS A 234 2.144 19.985 29.614 1.00 16.06 C ATOM 1252 CD LYS A 234 1.094 21.026 29.928 1.00 15.38 C ATOM 1253 CE LYS A 234 0.910 21.129 31.420 1.00 18.55 C ATOM 1254 NZ LYS A 234 -0.082 22.172 31.781 1.00 11.59 N ATOM 1255 HZ1 LYS A 234 0.242 23.094 31.426 1.00 0.00 H ATOM 1256 HZ2 LYS A 234 -1.001 21.938 31.353 1.00 0.00 H ATOM 1257 HZ3 LYS A 234 -0.180 22.212 32.816 1.00 0.00 H ATOM 1258 H LYS A 234 2.672 17.363 28.332 1.00 0.00 H ATOM 1259 N ASP A 235 5.402 18.547 29.363 1.00 13.88 N ATOM 1260 CA ASP A 235 6.579 18.755 30.217 1.00 15.97 C ATOM 1261 C ASP A 235 7.847 18.839 29.355 1.00 16.92 C ATOM 1262 O ASP A 235 8.217 17.859 28.712 1.00 15.20 O ATOM 1263 CB ASP A 235 6.652 17.635 31.272 1.00 16.55 C ATOM 1264 CG ASP A 235 7.900 17.702 32.162 1.00 21.25 C ATOM 1265 OD1 ASP A 235 8.744 18.606 32.013 1.00 22.69 O ATOM 1266 OD2 ASP A 235 8.035 16.803 33.020 1.00 27.17 O ATOM 1267 H ASP A 235 4.982 17.598 29.300 1.00 0.00 H ATOM 1268 N PRO A 236 8.515 20.016 29.322 1.00 16.92 N ATOM 1269 CA PRO A 236 9.699 20.187 28.468 1.00 17.77 C ATOM 1270 C PRO A 236 10.831 19.209 28.780 1.00 16.05 C ATOM 1271 O PRO A 236 11.682 18.958 27.926 1.00 16.85 O ATOM 1272 CB PRO A 236 10.144 21.627 28.751 1.00 18.39 C ATOM 1273 CG PRO A 236 8.954 22.289 29.309 1.00 21.61 C ATOM 1274 CD PRO A 236 8.179 21.258 30.046 1.00 18.39 C ATOM 1275 N GLY A 237 10.812 18.676 29.995 1.00 17.11 N ATOM 1276 CA GLY A 237 11.797 17.709 30.431 1.00 16.45 C ATOM 1277 C GLY A 237 11.407 16.253 30.211 1.00 13.37 C ATOM 1278 O GLY A 237 12.206 15.372 30.512 1.00 15.09 O ATOM 1279 H GLY A 237 10.063 18.963 30.657 1.00 0.00 H ATOM 1280 N ALA A 238 10.194 15.996 29.714 1.00 11.43 N ATOM 1281 CA ALA A 238 9.740 14.617 29.464 1.00 9.64 C ATOM 1282 C ALA A 238 10.356 14.040 28.195 1.00 9.49 C ATOM 1283 O ALA A 238 10.588 14.742 27.205 1.00 9.80 O ATOM 1284 CB ALA A 238 8.222 14.557 29.376 1.00 10.69 C ATOM 1285 H ALA A 238 9.555 16.788 29.499 1.00 0.00 H ATOM 1286 N LEU A 239 10.588 12.733 28.202 1.00 8.16 N ATOM 1287 CA LEU A 239 11.010 12.048 26.990 1.00 7.26 C ATOM 1288 C LEU A 239 9.982 12.208 25.862 1.00 7.18 C ATOM 1289 O LEU A 239 10.353 12.331 24.693 1.00 7.61 O ATOM 1290 CB LEU A 239 11.249 10.573 27.305 1.00 7.15 C ATOM 1291 CG LEU A 239 11.644 9.696 26.117 1.00 7.85 C ATOM 1292 CD1 LEU A 239 12.934 10.188 25.478 1.00 9.89 C ATOM 1293 CD2 LEU A 239 11.797 8.275 26.560 1.00 8.89 C ATOM 1294 H LEU A 239 10.467 12.193 29.083 1.00 0.00 H ATOM 1295 N MET A 240 8.703 12.242 26.227 1.00 7.34 N ATOM 1296 CA MET A 240 7.638 12.380 25.249 1.00 7.60 C ATOM 1297 C MET A 240 7.356 13.827 24.818 1.00 8.37 C ATOM 1298 O MET A 240 6.421 14.059 24.058 1.00 9.18 O ATOM 1299 CB MET A 240 6.361 11.672 25.721 1.00 7.02 C ATOM 1300 CG MET A 240 6.508 10.166 25.917 1.00 6.77 C ATOM 1301 SD MET A 240 7.304 9.305 24.531 1.00 7.30 S ATOM 1302 CE MET A 240 6.165 9.641 23.195 1.00 8.05 C ATOM 1303 H MET A 240 8.460 12.168 27.236 1.00 0.00 H ATOM 1304 N PHE A 241 8.151 14.788 25.287 1.00 8.98 N ATOM 1305 CA PHE A 241 8.074 16.172 24.789 1.00 10.99 C ATOM 1306 C PHE A 241 8.414 16.149 23.306 1.00 11.39 C ATOM 1307 O PHE A 241 9.323 15.426 22.888 1.00 12.09 O ATOM 1308 CB PHE A 241 9.038 17.069 25.561 1.00 11.44 C ATOM 1309 CG PHE A 241 8.852 18.560 25.309 1.00 13.58 C ATOM 1310 CD1 PHE A 241 7.730 19.233 25.795 1.00 15.06 C ATOM 1311 CD2 PHE A 241 9.826 19.290 24.631 1.00 15.06 C ATOM 1312 CE1 PHE A 241 7.562 20.611 25.582 1.00 14.97 C ATOM 1313 CE2 PHE A 241 9.669 20.666 24.412 1.00 16.70 C ATOM 1314 CZ PHE A 241 8.538 21.321 24.893 1.00 17.24 C ATOM 1315 H PHE A 241 8.845 14.554 26.025 1.00 0.00 H ATOM 1316 N PRO A 242 7.646 16.900 22.488 1.00 12.87 N ATOM 1317 CA PRO A 242 7.794 16.775 21.036 1.00 14.50 C ATOM 1318 C PRO A 242 8.897 17.594 20.365 1.00 15.09 C ATOM 1319 O PRO A 242 8.718 18.050 19.231 1.00 17.14 O ATOM 1320 CB PRO A 242 6.441 17.257 20.512 1.00 13.60 C ATOM 1321 CG PRO A 242 5.978 18.264 21.525 1.00 14.19 C ATOM 1322 CD PRO A 242 6.525 17.790 22.858 1.00 14.20 C ATOM 1323 N ILE A 243 10.033 17.770 21.018 1.00 13.13 N ATOM 1324 CA ILE A 243 11.198 18.337 20.324 1.00 13.84 C ATOM 1325 C ILE A 243 12.444 17.656 20.866 1.00 13.19 C ATOM 1326 O ILE A 243 12.586 17.458 22.070 1.00 14.41 O ATOM 1327 CB ILE A 243 11.288 19.890 20.426 1.00 13.90 C ATOM 1328 CG1 ILE A 243 10.041 20.545 19.817 1.00 18.89 C ATOM 1329 CG2 ILE A 243 12.543 20.423 19.711 1.00 14.91 C ATOM 1330 CD1 ILE A 243 9.804 21.982 20.240 1.00 22.16 C ATOM 1331 H ILE A 243 10.102 17.507 22.022 1.00 0.00 H ATOM 1332 N TYR A 244 13.310 17.267 19.939 1.00 13.58 N ATOM 1333 CA TYR A 244 14.550 16.569 20.295 1.00 14.74 C ATOM 1334 C TYR A 244 15.471 17.398 21.158 1.00 16.33 C ATOM 1335 O TYR A 244 15.745 18.549 20.822 1.00 15.22 O ATOM 1336 CB TYR A 244 15.314 16.185 19.033 1.00 14.55 C ATOM 1337 CG TYR A 244 16.664 15.525 19.287 1.00 13.33 C ATOM 1338 CD1 TYR A 244 16.744 14.166 19.600 1.00 14.14 C ATOM 1339 CD2 TYR A 244 17.863 16.261 19.215 1.00 13.03 C ATOM 1340 CE1 TYR A 244 17.972 13.552 19.833 1.00 13.45 C ATOM 1341 CE2 TYR A 244 19.099 15.654 19.449 1.00 13.85 C ATOM 1342 CZ TYR A 244 19.140 14.292 19.750 1.00 10.76 C ATOM 1343 OH TYR A 244 20.340 13.654 19.978 1.00 12.55 O ATOM 1344 HH TYR A 244 20.912 13.731 19.173 1.00 0.00 H ATOM 1345 H TYR A 244 13.105 17.461 18.938 1.00 0.00 H ATOM 1346 N THR A 245 15.946 16.817 22.259 1.00 18.16 N ATOM 1347 CA THR A 245 17.118 17.343 22.969 1.00 20.83 C ATOM 1348 C THR A 245 18.057 16.208 23.331 1.00 18.22 C ATOM 1349 O THR A 245 17.614 15.097 23.645 1.00 19.49 O ATOM 1350 CB THR A 245 16.788 18.114 24.281 1.00 23.64 C ATOM 1351 OG1 THR A 245 15.935 17.325 25.114 1.00 27.50 O ATOM 1352 CG2 THR A 245 16.143 19.450 24.002 1.00 29.17 C ATOM 1353 HG1 THR A 245 15.093 17.129 24.631 1.00 0.00 H ATOM 1354 H THR A 245 15.473 15.967 22.626 1.00 0.00 H ATOM 1355 N TYR A 246 19.353 16.485 23.287 1.00 17.43 N ATOM 1356 CA TYR A 246 20.340 15.500 23.688 1.00 16.57 C ATOM 1357 C TYR A 246 20.584 15.526 25.192 1.00 19.17 C ATOM 1358 O TYR A 246 20.754 16.596 25.779 1.00 20.39 O ATOM 1359 CB TYR A 246 21.667 15.723 22.954 1.00 16.44 C ATOM 1360 CG TYR A 246 22.723 14.730 23.371 1.00 15.63 C ATOM 1361 CD1 TYR A 246 23.737 15.089 24.269 1.00 16.72 C ATOM 1362 CD2 TYR A 246 22.682 13.412 22.921 1.00 14.04 C ATOM 1363 CE1 TYR A 246 24.691 14.169 24.676 1.00 18.92 C ATOM 1364 CE2 TYR A 246 23.643 12.488 23.317 1.00 16.67 C ATOM 1365 CZ TYR A 246 24.643 12.875 24.195 1.00 18.01 C ATOM 1366 OH TYR A 246 25.594 11.971 24.596 1.00 22.64 O ATOM 1367 HH TYR A 246 26.086 11.639 23.804 1.00 0.00 H ATOM 1368 H TYR A 246 19.666 17.421 22.961 1.00 0.00 H ATOM 1369 N THR A 247 20.593 14.341 25.800 1.00 19.12 N ATOM 1370 CA THR A 247 21.001 14.168 27.194 1.00 21.10 C ATOM 1371 C THR A 247 22.118 13.124 27.246 1.00 22.51 C ATOM 1372 O THR A 247 21.996 12.054 26.641 1.00 22.87 O ATOM 1373 CB THR A 247 19.818 13.721 28.081 1.00 21.38 C ATOM 1374 OG1 THR A 247 18.691 14.573 27.844 1.00 21.37 O ATOM 1375 CG2 THR A 247 20.192 13.783 29.557 1.00 21.81 C ATOM 1376 HG1 THR A 247 18.429 14.514 26.891 1.00 0.00 H ATOM 1377 H THR A 247 20.297 13.503 25.260 1.00 0.00 H ATOM 1378 N GLY A 248 23.195 13.440 27.963 1.00 24.98 N ATOM 1379 CA GLY A 248 24.358 12.563 28.051 1.00 27.43 C ATOM 1380 C GLY A 248 24.150 11.359 28.946 1.00 28.97 C ATOM 1381 O GLY A 248 24.825 10.339 28.785 1.00 30.67 O ATOM 1382 H GLY A 248 23.208 14.343 28.478 1.00 0.00 H TER 1383 GLY A 248 ATOM 1384 N PHE A 252 20.914 6.892 31.657 1.00 29.42 N ATOM 1385 CA PHE A 252 19.690 7.620 31.332 1.00 27.35 C ATOM 1386 C PHE A 252 18.616 7.374 32.378 1.00 27.30 C ATOM 1387 O PHE A 252 18.430 6.244 32.846 1.00 29.53 O ATOM 1388 CB PHE A 252 19.179 7.226 29.939 1.00 27.55 C ATOM 1389 CG PHE A 252 17.971 8.006 29.483 1.00 20.56 C ATOM 1390 CD1 PHE A 252 16.707 7.416 29.475 1.00 19.36 C ATOM 1391 CD2 PHE A 252 18.095 9.323 29.060 1.00 22.14 C ATOM 1392 CE1 PHE A 252 15.586 8.132 29.055 1.00 17.13 C ATOM 1393 CE2 PHE A 252 16.979 10.048 28.639 1.00 24.60 C ATOM 1394 CZ PHE A 252 15.724 9.448 28.635 1.00 23.71 C ATOM 1395 HN3 PHE A 252 20.710 5.873 31.693 1.00 0.00 H ATOM 1396 HN2 PHE A 252 21.269 7.209 32.582 1.00 0.00 H ATOM 1397 HN1 PHE A 252 21.631 7.078 30.927 1.00 0.00 H ATOM 1398 N MET A 253 17.905 8.437 32.743 1.00 24.75 N ATOM 1399 CA MET A 253 16.811 8.314 33.688 1.00 20.45 C ATOM 1400 C MET A 253 15.500 8.783 33.065 1.00 15.94 C ATOM 1401 O MET A 253 15.315 9.964 32.804 1.00 15.96 O ATOM 1402 CB MET A 253 17.116 9.088 34.972 1.00 21.55 C ATOM 1403 CG MET A 253 16.166 8.781 36.118 1.00 26.83 C ATOM 1404 SD MET A 253 16.751 9.404 37.709 1.00 39.09 S ATOM 1405 CE MET A 253 16.551 11.175 37.494 1.00 36.26 C ATOM 1406 H MET A 253 18.136 9.370 32.345 1.00 0.00 H ATOM 1407 N LEU A 254 14.592 7.842 32.849 1.00 14.51 N ATOM 1408 CA LEU A 254 13.249 8.158 32.344 1.00 10.80 C ATOM 1409 C LEU A 254 12.575 9.170 33.272 1.00 10.85 C ATOM 1410 O LEU A 254 12.407 8.902 34.463 1.00 10.76 O ATOM 1411 CB LEU A 254 12.409 6.887 32.251 1.00 11.90 C ATOM 1412 CG LEU A 254 11.041 7.056 31.579 1.00 8.85 C ATOM 1413 CD1 LEU A 254 11.192 7.521 30.123 1.00 9.89 C ATOM 1414 CD2 LEU A 254 10.245 5.753 31.657 1.00 10.59 C ATOM 1415 H LEU A 254 14.838 6.850 33.043 1.00 0.00 H ATOM 1416 N PRO A 255 12.224 10.351 32.744 1.00 9.87 N ATOM 1417 CA PRO A 255 11.560 11.347 33.580 1.00 9.54 C ATOM 1418 C PRO A 255 10.237 10.870 34.169 1.00 9.16 C ATOM 1419 O PRO A 255 9.552 10.003 33.608 1.00 9.34 O ATOM 1420 CB PRO A 255 11.349 12.518 32.623 1.00 10.33 C ATOM 1421 CG PRO A 255 12.434 12.363 31.614 1.00 10.17 C ATOM 1422 CD PRO A 255 12.509 10.885 31.401 1.00 10.33 C ATOM 1423 N ASP A 256 9.875 11.443 35.308 1.00 9.23 N ATOM 1424 CA ASP A 256 8.686 10.992 36.008 1.00 9.82 C ATOM 1425 C ASP A 256 7.399 11.120 35.212 1.00 8.04 C ATOM 1426 O ASP A 256 6.537 10.275 35.343 1.00 7.70 O ATOM 1427 CB ASP A 256 8.504 11.673 37.361 1.00 11.25 C ATOM 1428 CG ASP A 256 7.412 11.006 38.176 1.00 14.32 C ATOM 1429 OD1 ASP A 256 7.591 9.825 38.551 1.00 18.98 O ATOM 1430 OD2 ASP A 256 6.351 11.621 38.385 1.00 16.00 O ATOM 1431 H ASP A 256 10.445 12.219 35.702 1.00 0.00 H ATOM 1432 N ASP A 257 7.251 12.162 34.403 1.00 7.87 N ATOM 1433 CA ASP A 257 6.022 12.296 33.622 1.00 8.25 C ATOM 1434 C ASP A 257 5.814 11.072 32.715 1.00 7.19 C ATOM 1435 O ASP A 257 4.691 10.575 32.575 1.00 7.56 O ATOM 1436 CB ASP A 257 6.047 13.580 32.784 1.00 7.98 C ATOM 1437 CG ASP A 257 4.791 13.756 31.966 1.00 8.03 C ATOM 1438 OD1 ASP A 257 3.715 14.008 32.530 1.00 8.41 O ATOM 1439 OD2 ASP A 257 4.871 13.649 30.723 1.00 8.05 O ATOM 1440 H ASP A 257 8.002 12.877 34.325 1.00 0.00 H ATOM 1441 N ASP A 258 6.900 10.594 32.108 1.00 7.04 N ATOM 1442 CA ASP A 258 6.842 9.431 31.230 1.00 7.14 C ATOM 1443 C ASP A 258 6.583 8.147 32.027 1.00 7.41 C ATOM 1444 O ASP A 258 5.857 7.270 31.569 1.00 7.69 O ATOM 1445 CB ASP A 258 8.137 9.313 30.438 1.00 7.72 C ATOM 1446 CG ASP A 258 8.509 10.600 29.748 1.00 8.28 C ATOM 1447 OD1 ASP A 258 7.847 10.965 28.739 1.00 8.04 O ATOM 1448 OD2 ASP A 258 9.480 11.239 30.206 1.00 8.87 O ATOM 1449 H ASP A 258 7.815 11.064 32.265 1.00 0.00 H ATOM 1450 N VAL A 259 7.167 8.043 33.223 1.00 7.10 N ATOM 1451 CA VAL A 259 6.882 6.914 34.107 1.00 7.84 C ATOM 1452 C VAL A 259 5.393 6.872 34.454 1.00 6.58 C ATOM 1453 O VAL A 259 4.743 5.831 34.327 1.00 7.56 O ATOM 1454 CB VAL A 259 7.721 6.982 35.398 1.00 8.18 C ATOM 1455 CG1 VAL A 259 7.297 5.876 36.365 1.00 9.81 C ATOM 1456 CG2 VAL A 259 9.214 6.877 35.089 1.00 9.48 C ATOM 1457 H VAL A 259 7.836 8.777 33.531 1.00 0.00 H ATOM 1458 N GLN A 260 4.848 8.011 34.874 1.00 7.34 N ATOM 1459 CA GLN A 260 3.425 8.049 35.222 1.00 7.96 C ATOM 1460 C GLN A 260 2.553 7.690 34.026 1.00 7.51 C ATOM 1461 O GLN A 260 1.583 6.949 34.153 1.00 8.30 O ATOM 1462 CB GLN A 260 3.029 9.420 35.775 1.00 8.73 C ATOM 1463 CG GLN A 260 3.764 9.825 37.069 1.00 9.87 C ATOM 1464 CD GLN A 260 3.586 8.825 38.204 1.00 11.14 C ATOM 1465 OE1 GLN A 260 2.494 8.309 38.426 1.00 12.80 O ATOM 1466 NE2 GLN A 260 4.673 8.529 38.912 1.00 13.22 N ATOM 1467 HE22 GLN A 260 5.579 8.989 38.691 1.00 0.00 H ATOM 1468 HE21 GLN A 260 4.617 7.837 39.687 1.00 0.00 H ATOM 1469 H GLN A 260 5.429 8.870 34.955 1.00 0.00 H ATOM 1470 N GLY A 261 2.921 8.183 32.844 1.00 7.04 N ATOM 1471 CA GLY A 261 2.131 7.893 31.658 1.00 7.40 C ATOM 1472 C GLY A 261 2.153 6.421 31.289 1.00 7.34 C ATOM 1473 O GLY A 261 1.101 5.796 31.102 1.00 7.68 O ATOM 1474 H GLY A 261 3.773 8.775 32.770 1.00 0.00 H ATOM 1475 N ILE A 262 3.348 5.839 31.199 1.00 6.45 N ATOM 1476 CA ILE A 262 3.403 4.440 30.774 1.00 7.40 C ATOM 1477 C ILE A 262 2.769 3.506 31.821 1.00 7.64 C ATOM 1478 O ILE A 262 2.117 2.511 31.472 1.00 7.86 O ATOM 1479 CB ILE A 262 4.845 4.023 30.382 1.00 6.79 C ATOM 1480 CG1 ILE A 262 4.806 2.776 29.491 1.00 6.53 C ATOM 1481 CG2 ILE A 262 5.760 3.849 31.599 1.00 6.94 C ATOM 1482 CD1 ILE A 262 4.298 3.053 28.066 1.00 10.14 C ATOM 1483 H ILE A 262 4.217 6.364 31.424 1.00 0.00 H ATOM 1484 N GLN A 263 2.935 3.840 33.099 1.00 6.85 N ATOM 1485 CA GLN A 263 2.350 3.014 34.155 1.00 7.69 C ATOM 1486 C GLN A 263 0.833 3.136 34.191 1.00 7.95 C ATOM 1487 O GLN A 263 0.154 2.199 34.612 1.00 8.01 O ATOM 1488 CB GLN A 263 2.978 3.317 35.509 1.00 7.65 C ATOM 1489 CG GLN A 263 4.437 2.929 35.551 1.00 7.96 C ATOM 1490 CD GLN A 263 5.080 3.095 36.906 1.00 8.31 C ATOM 1491 OE1 GLN A 263 4.569 3.804 37.783 1.00 9.50 O ATOM 1492 NE2 GLN A 263 6.223 2.457 37.087 1.00 8.25 N ATOM 1493 HE22 GLN A 263 6.618 1.871 36.324 1.00 0.00 H ATOM 1494 HE21 GLN A 263 6.727 2.541 37.993 1.00 0.00 H ATOM 1495 H GLN A 263 3.481 4.689 33.347 1.00 0.00 H ATOM 1496 N SER A 264 0.291 4.252 33.718 1.00 7.99 N ATOM 1497 CA SER A 264 -1.163 4.402 33.638 1.00 8.62 C ATOM 1498 C SER A 264 -1.765 3.405 32.652 1.00 9.66 C ATOM 1499 O SER A 264 -2.926 3.014 32.781 1.00 11.06 O ATOM 1500 CB SER A 264 -1.574 5.838 33.284 1.00 8.73 C ATOM 1501 OG SER A 264 -1.479 6.092 31.891 1.00 9.18 O ATOM 1502 HG SER A 264 -0.544 5.956 31.595 1.00 0.00 H ATOM 1503 H SER A 264 0.906 5.028 33.401 1.00 0.00 H ATOM 1504 N LEU A 265 -0.968 2.990 31.672 1.00 8.57 N ATOM 1505 CA LEU A 265 -1.393 2.006 30.686 1.00 9.12 C ATOM 1506 C LEU A 265 -1.146 0.566 31.103 1.00 9.31 C ATOM 1507 O LEU A 265 -2.041 -0.280 30.937 1.00 10.73 O ATOM 1508 CB LEU A 265 -0.698 2.249 29.341 1.00 9.50 C ATOM 1509 CG LEU A 265 -1.035 3.585 28.660 1.00 9.47 C ATOM 1510 CD1 LEU A 265 -0.208 3.789 27.414 1.00 11.89 C ATOM 1511 CD2 LEU A 265 -2.520 3.684 28.328 1.00 12.08 C ATOM 1512 H LEU A 265 -0.007 3.382 31.607 1.00 0.00 H ATOM 1513 N TYR A 266 0.045 0.286 31.637 1.00 8.11 N ATOM 1514 CA TYR A 266 0.508 -1.091 31.827 1.00 8.65 C ATOM 1515 C TYR A 266 0.751 -1.498 33.270 1.00 8.89 C ATOM 1516 O TYR A 266 1.047 -2.670 33.516 1.00 9.48 O ATOM 1517 CB TYR A 266 1.795 -1.332 31.019 1.00 8.20 C ATOM 1518 CG TYR A 266 1.553 -1.167 29.551 1.00 7.96 C ATOM 1519 CD1 TYR A 266 0.851 -2.131 28.833 1.00 9.06 C ATOM 1520 CD2 TYR A 266 1.968 -0.014 28.885 1.00 7.32 C ATOM 1521 CE1 TYR A 266 0.588 -1.976 27.486 1.00 8.43 C ATOM 1522 CE2 TYR A 266 1.719 0.149 27.523 1.00 7.68 C ATOM 1523 CZ TYR A 266 1.017 -0.833 26.835 1.00 7.06 C ATOM 1524 OH TYR A 266 0.743 -0.684 25.487 1.00 8.79 O ATOM 1525 HH TYR A 266 0.201 0.133 25.350 1.00 0.00 H ATOM 1526 H TYR A 266 0.664 1.070 31.927 1.00 0.00 H ATOM 1527 N GLY A 267 0.636 -0.566 34.208 1.00 8.30 N ATOM 1528 CA GLY A 267 1.083 -0.818 35.570 1.00 8.32 C ATOM 1529 C GLY A 267 2.596 -0.770 35.687 1.00 7.58 C ATOM 1530 O GLY A 267 3.305 -0.622 34.682 1.00 8.08 O ATOM 1531 H GLY A 267 0.221 0.357 33.967 1.00 0.00 H ATOM 1532 N PRO A 268 3.109 -0.865 36.921 1.00 7.56 N ATOM 1533 CA PRO A 268 4.545 -0.735 37.165 1.00 8.33 C ATOM 1534 C PRO A 268 5.376 -1.995 37.001 1.00 8.43 C ATOM 1535 O PRO A 268 6.598 -1.912 37.023 1.00 9.42 O ATOM 1536 CB PRO A 268 4.595 -0.302 38.628 1.00 8.92 C ATOM 1537 CG PRO A 268 3.401 -0.998 39.237 1.00 10.25 C ATOM 1538 CD PRO A 268 2.340 -0.927 38.182 1.00 9.15 C ATOM 1539 N GLY A 269 4.746 -3.156 36.854 1.00 8.47 N ATOM 1540 CA GLY A 269 5.490 -4.410 37.026 1.00 8.99 C ATOM 1541 C GLY A 269 6.110 -4.430 38.423 1.00 8.69 C ATOM 1542 O GLY A 269 5.556 -3.871 39.372 1.00 8.48 O ATOM 1543 H GLY A 269 3.733 -3.176 36.619 1.00 0.00 H ATOM 1544 N ASP A 270 7.261 -5.077 38.545 1.00 9.13 N ATOM 1545 CA ASP A 270 7.950 -5.167 39.819 1.00 9.81 C ATOM 1546 C ASP A 270 8.483 -3.781 40.151 1.00 10.90 C ATOM 1547 O ASP A 270 9.257 -3.207 39.367 1.00 11.54 O ATOM 1548 CB ASP A 270 9.071 -6.199 39.705 1.00 11.11 C ATOM 1549 CG ASP A 270 9.736 -6.492 41.022 1.00 12.58 C ATOM 1550 OD1 ASP A 270 9.648 -5.694 41.971 1.00 12.69 O ATOM 1551 OD2 ASP A 270 10.374 -7.565 41.107 1.00 15.94 O ATOM 1552 H ASP A 270 7.680 -5.531 37.708 1.00 0.00 H ATOM 1553 N GLU A 271 8.067 -3.241 41.288 1.00 10.49 N ATOM 1554 CA GLU A 271 8.406 -1.866 41.656 1.00 11.98 C ATOM 1555 C GLU A 271 9.838 -1.750 42.156 1.00 15.84 C ATOM 1556 O GLU A 271 10.367 -0.635 42.251 1.00 17.59 O ATOM 1557 CB GLU A 271 7.421 -1.347 42.698 1.00 11.31 C ATOM 1558 CG GLU A 271 6.020 -1.124 42.130 1.00 10.13 C ATOM 1559 CD GLU A 271 4.966 -0.984 43.193 1.00 10.24 C ATOM 1560 OE1 GLU A 271 5.225 -0.302 44.204 1.00 11.20 O ATOM 1561 OE2 GLU A 271 3.851 -1.535 43.025 1.00 10.62 O ATOM 1562 H GLU A 271 7.484 -3.810 41.935 1.00 0.00 H ATOM 1563 N ASP A 272 10.456 -2.883 42.479 1.00 16.52 N ATOM 1564 CA ASP A 272 11.864 -2.923 42.878 1.00 22.74 C ATOM 1565 C ASP A 272 12.569 -4.161 42.311 1.00 25.95 C ATOM 1566 O ASP A 272 12.801 -5.129 43.041 1.00 28.76 O ATOM 1567 CB ASP A 272 11.992 -2.873 44.405 1.00 25.21 C ATOM 1568 CG ASP A 272 13.412 -2.565 44.870 1.00 30.19 C ATOM 1569 OD1 ASP A 272 14.220 -2.052 44.063 1.00 35.12 O ATOM 1570 OD2 ASP A 272 13.716 -2.832 46.053 1.00 36.22 O ATOM 1571 H ASP A 272 9.919 -3.773 42.447 1.00 0.00 H ATOM 1572 N PRO A 273 12.916 -4.132 41.008 1.00 28.35 N ATOM 1573 CA PRO A 273 13.579 -5.262 40.362 1.00 30.14 C ATOM 1574 C PRO A 273 15.104 -5.180 40.448 1.00 31.42 C ATOM 1575 O PRO A 273 15.659 -5.117 41.545 1.00 33.30 O ATOM 1576 CB PRO A 273 13.126 -5.141 38.905 1.00 29.53 C ATOM 1577 CG PRO A 273 12.819 -3.684 38.702 1.00 29.66 C ATOM 1578 CD PRO A 273 12.694 -3.024 40.060 1.00 27.67 C TER 1579 PRO A 273 HETATM 1580 ZN ZN A 1 6.626 12.042 19.096 1.00 9.11 ZN HETATM 1581 ZN ZN A 2 6.588 5.918 7.994 1.00 9.01 ZN HETATM 1582 CA CA A 3 13.988 14.715 7.714 1.00 10.74 CA HETATM 1583 CA CA A 4 3.005 -3.602 13.889 1.00 8.44 CA HETATM 1584 NA NA A 5 21.533 8.564 7.365 1.00 17.26 NA HETATM 1585 O HOH 6 20.181 14.875 10.700 1.00 24.32 O HETATM 1586 O HOH 7 17.049 13.823 25.998 1.00 28.33 O HETATM 1587 O HOH 8 -15.501 0.220 25.825 1.00 26.42 O HETATM 1588 O HOH 9 25.766 9.494 23.820 1.00 32.45 O HETATM 1589 O HOH 10 25.959 7.678 5.826 1.00 39.76 O HETATM 1590 O HOH 11 15.018 -8.291 9.964 1.00 12.29 O HETATM 1591 O HOH 12 13.796 -4.317 31.683 1.00 13.11 O HETATM 1592 O HOH 13 13.409 17.949 24.746 1.00 26.40 O HETATM 1593 O HOH 14 -2.995 5.127 24.629 1.00 11.94 O HETATM 1594 O HOH 15 9.908 8.558 38.637 1.00 25.52 O HETATM 1595 O HOH 16 8.413 -10.854 24.032 1.00 16.29 O HETATM 1596 O HOH 17 14.513 -14.385 15.000 1.00 20.90 O HETATM 1597 O HOH 18 23.821 -6.905 18.926 1.00 22.79 O HETATM 1598 O HOH 19 22.410 15.173 19.300 1.00 16.99 O HETATM 1599 O HOH 20 26.421 -6.461 19.505 1.00 32.20 O HETATM 1600 O HOH 21 29.544 13.039 21.639 1.00 22.44 O HETATM 1601 O HOH 22 11.909 -8.545 39.149 1.00 33.81 O HETATM 1602 O HOH 23 26.922 7.741 13.169 1.00 14.72 O HETATM 1603 O HOH 24 15.655 -5.840 23.466 1.00 27.41 O HETATM 1604 O HOH 25 23.471 -0.097 10.514 1.00 16.53 O HETATM 1605 O HOH 26 3.822 -3.828 9.627 1.00 19.56 O HETATM 1606 O HOH 27 13.914 15.727 32.564 1.00 24.19 O HETATM 1607 O HOH 28 12.545 -12.862 25.525 1.00 22.73 O HETATM 1608 O HOH 29 1.096 -7.164 16.206 1.00 13.98 O HETATM 1609 O HOH 30 3.545 -5.602 12.840 1.00 10.80 O HETATM 1610 O HOH 31 16.354 19.500 12.481 1.00 49.85 O HETATM 1611 O HOH 32 23.434 -8.154 13.050 1.00 31.52 O HETATM 1612 O HOH 33 8.655 13.891 0.703 1.00 34.35 O HETATM 1613 O HOH 34 29.878 5.508 15.883 1.00 33.30 O HETATM 1614 O HOH 35 12.237 -8.012 43.029 1.00 25.74 O HETATM 1615 O HOH 36 29.083 10.464 16.115 1.00 24.83 O HETATM 1616 O HOH 37 24.533 10.696 7.573 1.00 30.24 O HETATM 1617 O HOH 38 11.631 -7.823 30.462 1.00 18.49 O HETATM 1618 O HOH 39 14.881 -7.743 7.086 1.00 13.02 O HETATM 1619 O HOH 40 -5.521 -9.347 27.478 1.00 39.79 O HETATM 1620 O HOH 41 30.163 -1.785 16.561 1.00 19.71 O HETATM 1621 O HOH 42 12.237 9.658 37.073 1.00 27.19 O HETATM 1622 O HOH 43 2.369 5.310 38.342 1.00 14.32 O HETATM 1623 O HOH 44 12.612 16.520 26.791 1.00 17.46 O HETATM 1624 O HOH 45 3.033 13.822 35.163 1.00 10.77 O HETATM 1625 O HOH 46 15.711 -12.682 20.465 1.00 23.64 O HETATM 1626 O HOH 47 9.045 -0.647 9.994 1.00 14.05 O HETATM 1627 O HOH 48 -0.015 -4.371 35.364 1.00 10.96 O HETATM 1628 O HOH 49 11.969 17.863 1.304 1.00 30.24 O HETATM 1629 O HOH 50 2.071 9.112 1.537 1.00 19.30 O HETATM 1630 O HOH 51 18.248 -4.908 19.490 1.00 10.96 O HETATM 1631 O HOH 52 3.247 18.847 24.101 1.00 24.61 O HETATM 1632 O HOH 53 24.194 8.914 31.033 1.00 45.84 O HETATM 1633 O HOH 54 16.174 1.912 31.780 1.00 24.03 O HETATM 1634 O HOH 55 8.655 18.696 6.522 1.00 25.82 O HETATM 1635 O HOH 56 15.953 -10.084 7.152 1.00 20.78 O HETATM 1636 O HOH 57 13.381 -0.540 37.207 1.00 46.63 O HETATM 1637 O HOH 58 15.862 -7.754 14.259 1.00 9.49 O HETATM 1638 O HOH 59 4.564 5.797 0.661 1.00 11.65 O HETATM 1639 O HOH 60 9.358 2.010 6.472 1.00 19.82 O HETATM 1640 O HOH 61 6.952 1.824 44.277 1.00 22.86 O HETATM 1641 O HOH 62 -2.250 12.268 18.321 1.00 40.86 O HETATM 1642 O HOH 63 13.755 11.632 3.639 1.00 8.58 O HETATM 1643 O HOH 64 13.756 3.321 32.608 1.00 14.43 O HETATM 1644 O HOH 65 9.397 -6.022 44.685 1.00 14.56 O HETATM 1645 O HOH 66 9.329 -9.645 39.649 1.00 16.43 O HETATM 1646 O HOH 67 13.293 -4.668 27.208 1.00 12.12 O HETATM 1647 O HOH 68 26.679 -7.758 10.640 1.00 40.13 O HETATM 1648 O HOH 69 11.754 5.986 -0.728 1.00 22.16 O HETATM 1649 O HOH 70 25.426 -7.567 15.284 1.00 31.18 O HETATM 1650 O HOH 71 6.765 1.187 5.447 1.00 18.49 O HETATM 1651 O HOH 72 6.584 -0.779 9.154 1.00 13.55 O HETATM 1652 O HOH 73 3.989 12.067 12.267 1.00 30.07 O HETATM 1653 O HOH 74 5.138 11.449 28.936 1.00 8.72 O HETATM 1654 O HOH 75 -5.192 0.919 17.016 1.00 61.32 O HETATM 1655 O HOH 76 5.641 -11.644 16.627 1.00 20.16 O HETATM 1656 O HOH 77 1.570 16.547 19.528 1.00 36.24 O HETATM 1657 O HOH 78 9.233 -5.772 32.634 1.00 11.90 O HETATM 1658 O HOH 79 20.518 18.067 28.110 1.00 39.89 O HETATM 1659 O HOH 80 14.589 -3.837 35.444 1.00 35.88 O HETATM 1660 O HOH 81 20.608 12.806 2.214 1.00 14.06 O HETATM 1661 O HOH 82 24.760 2.233 20.130 1.00 19.31 O HETATM 1662 O HOH 83 -13.890 -7.025 28.447 1.00 31.12 O HETATM 1663 O HOH 84 4.197 -10.854 20.802 1.00 21.60 O HETATM 1664 O HOH 85 -1.055 -7.256 12.462 1.00 29.22 O HETATM 1665 O HOH 86 15.625 -4.439 25.887 1.00 11.74 O HETATM 1666 O HOH 87 8.986 14.540 34.310 1.00 14.62 O HETATM 1667 O HOH 88 1.193 -4.695 14.930 1.00 10.53 O HETATM 1668 O HOH 89 29.711 19.420 16.253 1.00 38.70 O HETATM 1669 O HOH 90 -4.104 6.008 30.985 1.00 17.45 O HETATM 1670 O HOH 91 8.365 -0.033 38.058 1.00 14.93 O HETATM 1671 O HOH 92 32.798 17.812 19.765 1.00 17.92 O HETATM 1672 O HOH 93 0.403 6.236 36.568 1.00 13.69 O HETATM 1673 O HOH 94 16.558 20.175 18.717 1.00 21.91 O HETATM 1674 O HOH 95 22.073 -6.051 21.124 1.00 27.82 O HETATM 1675 O HOH 96 8.015 11.926 10.908 1.00 19.38 O HETATM 1676 O HOH 97 15.153 -14.037 17.487 1.00 26.76 O HETATM 1677 O HOH 98 15.471 12.232 34.426 1.00 31.59 O HETATM 1678 O HOH 99 1.873 -12.397 20.764 1.00 42.89 O HETATM 1679 O HOH 100 -4.710 3.864 34.758 1.00 28.92 O HETATM 1680 O HOH 101 -17.388 -13.207 26.060 1.00 16.24 O HETATM 1681 O HOH 102 29.686 3.974 13.392 1.00 23.85 O HETATM 1682 O HOH 103 22.707 17.575 15.789 1.00 32.34 O HETATM 1683 O HOH 104 -2.312 20.956 30.590 1.00 24.55 O HETATM 1684 O HOH 105 -2.043 2.004 14.953 1.00 15.19 O HETATM 1685 O HOH 106 29.103 -1.990 19.317 1.00 43.86 O HETATM 1686 O HOH 107 -0.261 8.640 38.881 1.00 22.07 O HETATM 1687 O HOH 108 12.449 1.016 4.881 1.00 30.34 O HETATM 1688 O HOH 109 4.302 0.141 46.827 1.00 19.15 O HETATM 1689 O HOH 110 6.218 -14.076 14.028 1.00 44.14 O HETATM 1690 O HOH 111 5.678 7.310 3.355 1.00 10.06 O HETATM 1691 O HOH 112 -1.192 -6.817 5.946 1.00 43.93 O HETATM 1692 O HOH 113 8.449 -8.504 33.125 1.00 15.90 O HETATM 1693 O HOH 114 -5.940 -3.383 24.188 1.00 19.23 O HETATM 1694 O HOH 115 27.848 -3.542 11.015 1.00 18.65 O HETATM 1695 O HOH 116 28.356 17.779 20.366 1.00 27.38 O HETATM 1696 O HOH 117 20.123 18.881 21.989 1.00 30.89 O HETATM 1697 O HOH 118 17.695 22.520 6.880 1.00 25.84 O HETATM 1698 O HOH 119 2.981 11.730 27.156 1.00 8.92 O HETATM 1699 O HOH 120 16.667 -7.748 22.597 1.00 26.46 O HETATM 1700 O HOH 121 15.262 18.612 3.445 1.00 25.06 O HETATM 1701 O HOH 122 23.413 16.060 29.056 1.00 44.84 O HETATM 1702 O HOH 123 15.064 -7.109 24.947 1.00 25.75 O HETATM 1703 O HOH 124 -0.032 5.755 7.258 1.00 15.33 O HETATM 1704 O HOH 125 10.362 20.562 33.316 1.00 36.11 O HETATM 1705 O HOH 126 22.263 5.716 19.766 1.00 10.78 O HETATM 1706 O HOH 127 18.620 -10.023 11.446 1.00 24.53 O HETATM 1707 O HOH 128 9.189 -3.076 36.502 1.00 16.19 O HETATM 1708 O HOH 129 12.803 6.543 36.047 1.00 21.67 O HETATM 1709 O HOH 130 17.258 12.048 -0.233 1.00 24.00 O HETATM 1710 O HOH 131 1.399 13.405 6.454 1.00 45.90 O HETATM 1711 O HOH 132 4.962 13.131 7.032 1.00 22.71 O HETATM 1712 O HOH 133 16.702 1.141 35.410 1.00 51.86 O HETATM 1713 O HOH 134 21.954 -1.993 24.835 1.00 18.18 O HETATM 1714 O HOH 135 12.372 -7.168 27.863 1.00 14.11 O HETATM 1715 O HOH 136 10.686 14.105 14.157 1.00 16.02 O HETATM 1716 O HOH 137 22.293 -9.811 15.772 1.00 33.05 O HETATM 1717 O HOH 138 7.164 15.235 4.478 1.00 26.05 O HETATM 1718 O HOH 139 12.864 4.578 1.628 1.00 14.52 O HETATM 1719 O HOH 140 11.610 13.408 36.511 1.00 20.87 O HETATM 1720 O HOH 141 10.802 -15.372 12.666 1.00 23.44 O HETATM 1721 O HOH 142 22.091 9.170 26.483 1.00 35.96 O HETATM 1722 O HOH 143 6.737 -11.732 32.375 1.00 18.07 O HETATM 1723 O HOH 144 15.723 5.275 32.130 1.00 29.72 O HETATM 1724 O HOH 145 -5.507 2.932 30.860 1.00 40.59 O HETATM 1725 O HOH 146 15.596 -10.361 22.351 1.00 16.62 O HETATM 1726 O HOH 147 29.362 6.772 10.046 1.00 43.28 O HETATM 1727 O HOH 148 -1.789 24.524 31.892 1.00 36.79 O HETATM 1728 O HOH 149 1.123 24.717 31.039 1.00 19.35 O HETATM 1729 O HOH 150 24.540 2.487 28.374 1.00 46.51 O HETATM 1730 O HOH 151 -0.850 1.939 37.340 1.00 30.73 O HETATM 1731 O HOH 152 -2.721 -6.054 21.499 1.00 24.87 O HETATM 1732 O HOH 153 0.306 -10.918 28.489 1.00 23.56 O HETATM 1733 O HOH 154 28.088 3.128 5.519 1.00 36.34 O HETATM 1734 O HOH 155 4.096 -14.592 24.332 1.00 32.10 O HETATM 1735 O HOH 156 -19.631 -11.149 29.293 1.00 23.72 O HETATM 1736 O HOH 157 10.054 1.136 3.506 1.00 25.73 O HETATM 1737 O HOH 158 15.596 12.006 -2.317 1.00 39.13 O HETATM 1738 O HOH 159 5.870 -14.265 10.794 1.00 27.22 O HETATM 1739 O HOH 160 17.727 1.684 29.218 1.00 21.25 O HETATM 1740 O HOH 161 -2.555 6.969 10.607 1.00 37.41 O HETATM 1741 O HOH 162 8.393 -6.264 36.095 1.00 14.42 O HETATM 1742 O HOH 163 15.382 18.939 16.307 1.00 35.02 O HETATM 1743 O HOH 164 26.179 17.240 14.986 1.00 29.57 O HETATM 1744 O HOH 165 17.699 -7.604 12.301 1.00 17.22 O HETATM 1745 O HOH 166 -2.436 -3.185 30.553 1.00 35.24 O HETATM 1746 O HOH 167 22.213 7.191 28.676 1.00 45.77 O HETATM 1747 O HOH 168 -15.824 -10.872 29.156 1.00 48.69 O HETATM 1748 O HOH 169 -5.346 -6.490 8.628 1.00 23.11 O HETATM 1749 O HOH 170 28.154 -4.652 13.859 1.00 15.16 O HETATM 1750 O HOH 171 -6.619 -0.879 23.430 1.00 21.03 O HETATM 1751 O HOH 172 -16.418 -5.933 28.324 1.00 23.44 O HETATM 1752 O HOH 173 4.993 9.502 15.715 1.00 16.54 O HETATM 1753 O HOH 174 3.690 -2.528 4.070 1.00 17.38 O HETATM 1754 O HOH 175 15.525 21.325 21.928 1.00 29.84 O HETATM 1755 O HOH 176 4.773 14.871 14.818 1.00 31.69 O HETATM 1756 O HOH 177 13.145 20.202 23.185 1.00 34.81 O HETATM 1757 O HOH 178 7.460 1.829 39.764 1.00 17.86 O HETATM 1758 O HOH 179 -1.848 6.314 13.258 1.00 33.66 O HETATM 1759 O HOH 180 30.047 7.223 18.677 1.00 43.00 O HETATM 1760 O HOH 181 23.822 6.226 22.358 1.00 23.44 O HETATM 1761 O HOH 182 3.079 -10.905 17.079 1.00 34.85 O HETATM 1762 O HOH 183 18.718 20.847 11.729 1.00 33.40 O HETATM 1763 O HOH 184 9.960 8.655 -2.456 1.00 20.75 O HETATM 1764 O HOH 185 12.010 1.183 40.451 1.00 42.51 O HETATM 1765 O HOH 186 13.045 20.555 25.713 1.00 22.02 O HETATM 1766 O HOH 187 1.873 -11.693 26.390 1.00 20.96 O HETATM 1767 O HOH 188 27.395 5.108 23.054 1.00 47.93 O HETATM 1768 O HOH 189 11.251 4.049 7.438 1.00 28.57 O HETATM 1769 O HOH 190 6.105 13.948 12.628 1.00123.34 O HETATM 1770 O HOH 191 27.936 7.348 15.945 1.00 21.21 O HETATM 1771 O HOH 192 -24.605 -7.343 31.165 1.00 48.03 O HETATM 1772 O HOH 193 7.173 9.820 41.618 1.00 41.86 O HETATM 1773 O HOH 194 10.878 -0.616 38.811 1.00 28.32 O HETATM 1774 O HOH 195 0.638 11.666 2.659 1.00 30.42 O HETATM 1775 O HOH 196 -15.161 -12.907 27.490 1.00 29.00 O HETATM 1776 O HOH 197 9.789 1.223 44.709 1.00 43.42 O HETATM 1777 O HOH 198 -6.754 5.825 31.229 1.00 49.74 O HETATM 1778 O HOH 199 -0.378 14.825 22.760 1.00 27.18 O HETATM 1779 O HOH 200 10.287 17.091 13.814 1.00 28.84 O HETATM 1780 O HOH 201 -6.568 4.485 10.934 1.00 39.75 O HETATM 1781 O HOH 202 17.289 12.233 31.664 1.00 32.06 O HETATM 1782 O HOH 203 16.885 4.672 35.190 1.00 46.74 O HETATM 1783 O HOH 204 -3.254 0.159 34.238 1.00 43.18 O HETATM 1784 O HOH 205 -5.722 4.456 8.417 1.00 40.82 O HETATM 1785 O HOH 206 18.294 -11.788 19.082 1.00 42.15 O HETATM 1786 O HOH 207 12.478 17.804 16.800 1.00 18.65 O HETATM 1787 O HOH 208 19.739 -7.222 19.989 1.00 20.77 O HETATM 1788 O HOH 209 -11.573 -10.983 27.984 1.00 46.12 O HETATM 1789 O HOH 210 14.915 15.474 27.692 1.00 27.96 O HETATM 1790 O HOH 211 13.497 -15.202 13.065 1.00 21.86 O HETATM 1791 O HOH 212 1.586 6.656 41.247 1.00 26.40 O HETATM 1792 O HOH 213 1.578 -3.570 7.886 1.00 29.65 O HETATM 1793 O HOH 214 -3.078 -2.808 33.124 1.00 45.59 O HETATM 1794 O HOH 215 9.495 -14.164 6.926 1.00 29.65 O HETATM 1795 O HOH 216 12.007 -6.141 32.657 1.00 15.53 O HETATM 1796 O HOH 217 13.066 20.350 6.713 1.00 38.12 O HETATM 1797 O HOH 218 -3.514 -3.562 20.144 1.00 32.89 O HETATM 1798 O HOH 219 2.860 -6.243 10.384 1.00 24.42 O HETATM 1799 O HOH 220 12.650 21.192 31.830 1.00 43.24 O HETATM 1800 O HOH 221 2.415 14.227 16.555 1.00 49.24 O HETATM 1801 O HOH 222 7.155 15.388 36.273 1.00 18.42 O HETATM 1802 O HOH 223 -3.444 -8.296 8.161 1.00 53.22 O HETATM 1803 O HOH 224 14.524 13.220 28.620 1.00 39.28 O HETATM 1804 O HOH 225 30.659 8.508 21.187 1.00 37.06 O HETATM 1805 O HOH 226 14.999 -11.234 24.869 1.00 43.07 O HETATM 1806 O HOH 227 20.322 -2.231 27.174 1.00 21.84 O HETATM 1807 O HOH 228 6.460 -12.499 22.533 1.00 26.35 O HETATM 1808 O HOH 229 5.576 12.800 10.220 1.00 34.63 O HETATM 1809 O HOH 230 31.997 3.781 19.318 1.00 57.95 O HETATM 1810 O HOH 231 -1.354 4.522 8.185 1.00 27.78 O HETATM 1811 O HOH 232 10.223 16.081 0.688 1.00 46.91 O HETATM 1812 O HOH 233 0.841 -2.018 3.970 1.00 22.41 O HETATM 1813 O HOH 234 15.192 20.677 27.408 1.00 42.75 O HETATM 1814 O HOH 235 12.031 -11.898 30.831 1.00 51.54 O HETATM 1815 O HOH 236 -7.216 -5.139 22.558 1.00 34.79 O HETATM 1816 O HOH 237 23.598 11.111 32.478 1.00 43.01 O HETATM 1817 O HOH 238 11.823 -11.348 27.623 1.00 32.90 O HETATM 1818 O HOH 239 15.894 18.331 28.991 1.00 48.22 O HETATM 1819 O HOH 240 10.441 -5.762 36.181 1.00 26.06 O HETATM 1820 O HOH 241 0.844 -7.484 9.503 1.00 31.44 O HETATM 1821 O HOH 242 22.091 17.997 19.649 1.00 31.39 O HETATM 1822 O HOH 243 1.630 -9.091 14.391 1.00 41.02 O HETATM 1823 O HOH 244 8.202 12.503 -1.481 1.00 44.86 O HETATM 1824 O HOH 245 -10.804 -3.723 28.498 1.00 42.92 O HETATM 1825 O HOH 246 21.016 11.179 32.839 1.00 47.25 O HETATM 1826 O HOH 247 8.150 16.839 2.307 1.00 47.75 O HETATM 1827 O HOH 248 1.734 -13.327 24.191 1.00 36.11 O HETATM 1828 O HOH 249 20.103 0.934 30.321 1.00 45.90 O HETATM 1829 O HOH 250 -1.767 -7.085 16.857 1.00 32.57 O HETATM 1830 O HOH 251 23.369 -4.273 24.933 1.00 34.56 O HETATM 1831 O HOH 252 0.011 7.750 0.010 1.00 35.08 O HETATM 1832 O HOH 253 13.741 4.351 35.142 1.00 32.54 O HETATM 1833 O HOH 254 0.772 2.502 39.218 1.00 29.73 O HETATM 1834 O HOH 255 19.784 -4.757 28.044 1.00 27.17 O HETATM 1835 O HOH 256 15.833 -5.861 30.586 1.00 26.43 O HETATM 1836 O HOH 257 -4.636 3.141 15.611 1.00 37.20 O HETATM 1837 O HOH 258 -2.472 5.908 36.565 1.00 27.30 O HETATM 1838 O HOH 259 9.419 6.103 39.738 1.00 39.36 O HETATM 1839 O HOH 260 2.314 18.593 21.498 1.00 29.73 O HETATM 1840 O HOH 261 23.484 4.031 21.517 1.00 29.17 O HETATM 1841 O HOH 262 23.959 -0.460 25.728 1.00 31.70 O HETATM 1842 O HOH 263 18.427 -9.263 21.414 1.00 41.08 O HETATM 1843 O HOH 264 16.564 -8.434 27.178 1.00 36.95 O HETATM 1844 O HOH 265 -6.291 -3.995 26.863 1.00 28.67 O HETATM 1845 O HOH 266 0.009 9.648 -0.016 1.00 32.72 O HETATM 1846 O HOH 267 -5.143 -5.425 28.846 1.00 47.32 O HETATM 1847 O HOH 268 -0.205 -13.369 22.291 1.00 36.95 O HETATM 1848 O HOH 269 17.185 -5.511 27.929 1.00 20.59 O HETATM 1849 O HOH 270 6.373 -14.060 17.997 1.00 25.49 O HETATM 1850 O HOH 271 -7.238 3.979 33.891 1.00 42.52 O HETATM 1851 O HOH 272 6.943 -2.559 7.049 1.00 20.35 O HETATM 1852 O HOH 273 9.615 -10.333 34.904 1.00 27.76 O HETATM 1853 O HOH 274 5.581 -4.826 7.687 1.00 21.49 O HETATM 1854 O HOH 275 22.830 18.046 13.099 1.00 44.62 O HETATM 1855 O HOH 276 10.329 4.034 38.520 1.00 39.60 O HETATM 1856 O HOH 277 2.085 14.268 2.733 1.00 44.40 O HETATM 1857 O HOH 278 3.256 14.949 5.043 1.00 39.90 O HETATM 1858 O HOH 279 27.195 1.386 20.954 1.00 42.78 O HETATM 1859 O HOH 280 -17.730 -4.303 29.984 1.00 35.12 O HETATM 1860 O HOH 281 -3.265 8.383 16.269 1.00 48.18 O HETATM 1861 O HOH 282 13.867 -9.627 30.990 1.00 50.31 O HETATM 1862 O HOH 283 13.809 14.329 34.807 1.00 25.51 O HETATM 1863 O HOH 284 1.274 13.969 12.314 1.00 54.13 O HETATM 1864 O HOH 285 1.665 14.506 0.102 1.00 35.00 O HETATM 1865 O HOH 286 3.234 -4.554 5.900 1.00 31.58 O HETATM 1866 O HOH 287 21.613 -0.977 29.206 1.00 30.49 O HETATM 1867 O HOH 288 -15.309 -2.506 35.895 1.00 46.28 O HETATM 1868 O HOH 289 26.284 20.791 22.997 1.00 51.39 O HETATM 1869 O HOH 290 19.894 15.455 33.760 1.00 53.61 O HETATM 1870 O HOH 291 -0.793 14.824 15.307 1.00 57.26 O HETATM 1871 O HOH 292 -12.634 -0.242 38.769 1.00 53.42 O HETATM 1872 O HOH 293 -0.943 16.744 13.096 1.00 62.74 O HETATM 1873 C17 WMM A 294 14.580 12.832 23.500 1.00 -0.07 C HETATM 1874 C16 WMM A 294 13.712 13.750 24.045 1.00 -0.07 C HETATM 1875 C15 WMM A 294 12.662 14.209 23.277 1.00 -0.04 C HETATM 1876 C14 WMM A 294 12.443 13.760 21.989 1.00 0.07 C HETATM 1877 C19 WMM A 294 13.328 12.844 21.460 1.00 -0.04 C HETATM 1878 C18 WMM A 294 14.386 12.385 22.212 1.00 -0.07 C HETATM 1879 H3 WMM A 294 15.074 11.664 21.785 1.00 0.06 H HETATM 1880 H5 WMM A 294 13.190 12.484 20.447 1.00 0.05 H HETATM 1881 N13 WMM A 294 11.363 14.304 21.277 1.00 -0.24 N HETATM 1882 C1 WMM A 294 11.171 14.278 19.925 1.00 0.20 C HETATM 1883 N2 WMM A 294 10.185 14.925 19.338 1.00 -0.31 N HETATM 1884 C3 WMM A 294 10.189 14.778 17.970 1.00 -0.01 C HETATM 1885 C4 WMM A 294 11.197 13.980 17.488 1.00 -0.01 C HETATM 1886 S5 WMM A 294 12.143 13.411 18.796 1.00 0.00 S HETATM 1887 H6 WMM A 294 11.368 13.746 16.438 1.00 0.04 H HETATM 1888 C6 WMM A 294 9.197 15.456 17.118 1.00 0.04 C HETATM 1889 S7 WMM A 294 7.478 15.198 17.558 1.00 -0.03 S HETATM 1890 C8 WMM A 294 7.301 13.692 16.741 1.00 0.20 C HETATM 1891 N12 WMM A 294 7.034 12.528 17.288 1.00 -0.26 N HETATM 1892 N11 WMM A 294 6.996 11.648 16.236 1.00 -0.27 N HETATM 1893 C10 WMM A 294 7.242 12.284 15.115 1.00 0.11 C HETATM 1894 N9 WMM A 294 7.445 13.600 15.390 1.00 -0.22 N HETATM 1895 H10 WMM A 294 7.660 14.357 14.726 1.00 0.25 H HETATM 1896 H7 WMM A 294 7.278 11.831 14.125 1.00 0.13 H HETATM 1897 H8 WMM A 294 9.338 15.099 16.087 1.00 0.05 H HETATM 1898 H9 WMM A 294 9.397 16.537 17.162 1.00 0.05 H HETATM 1899 H11 WMM A 294 10.636 14.774 21.835 1.00 0.22 H HETATM 1900 H4 WMM A 294 11.987 14.946 23.698 1.00 0.05 H HETATM 1901 H2 WMM A 294 13.851 14.106 25.059 1.00 0.06 H HETATM 1902 H1 WMM A 294 15.415 12.461 24.083 1.00 0.05 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 274 272 1584 CONECT 604 603 1583 CONECT 703 701 702 1581 CONECT 717 715 1581 CONECT 770 769 1582 CONECT 776 775 1582 CONECT 788 787 1582 CONECT 801 800 1582 CONECT 831 829 830 1581 CONECT 880 879 1583 CONECT 905 904 1583 CONECT 918 917 1583 CONECT 933 932 935 1581 CONECT 980 979 1584 CONECT 1147 1145 1146 1580 CONECT 1185 1183 1184 1580 CONECT 1236 1234 1235 1580 CONECT 1384 1385 1395 1396 1397 CONECT 1395 1384 CONECT 1396 1384 CONECT 1397 1384 CONECT 1580 1147 1185 1236 CONECT 1581 703 717 831 933 CONECT 1582 770 776 788 801 CONECT 1583 604 880 905 918 CONECT 1584 274 980 CONECT 1873 1874 1878 1902 CONECT 1874 1873 1875 1901 CONECT 1875 1874 1876 1900 CONECT 1876 1875 1877 1881 CONECT 1877 1876 1878 1880 CONECT 1878 1873 1877 1879 CONECT 1879 1878 CONECT 1880 1877 CONECT 1881 1876 1882 1899 CONECT 1882 1881 1883 1886 CONECT 1883 1882 1884 CONECT 1884 1883 1885 1888 CONECT 1885 1884 1886 1887 CONECT 1886 1882 1885 CONECT 1887 1885 CONECT 1888 1884 1889 1897 1898 CONECT 1889 1888 1890 CONECT 1890 1889 1891 1894 CONECT 1891 1890 1892 CONECT 1892 1891 1893 CONECT 1893 1892 1894 1896 CONECT 1894 1890 1893 1895 CONECT 1895 1894 CONECT 1896 1893 CONECT 1897 1888 CONECT 1898 1888 CONECT 1899 1881 CONECT 1900 1875 CONECT 1901 1874 CONECT 1902 1873 MASTER 0 0 0 0 0 0 0 0 1900 2 60 14 END
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Pocket-Ligand
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Related entries of code: 5b5o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1eub
RCSB PDB
PDBbind
171aa, >1EUB_1|Chain... at 100%
1fls
RCSB PDB
PDBbind
165aa, >1FLS_1|Chain... at 100%
1xuc
RCSB PDB
PDBbind
171aa, >1XUC_1|Chains... at 100%
1xud
RCSB PDB
PDBbind
171aa, >1XUD_1|Chains... at 100%
1xur
RCSB PDB
PDBbind
171aa, >1XUR_1|Chains... at 100%
1you
RCSB PDB
PDBbind
168aa, >1YOU_1|Chains... at 100%
1ztq
RCSB PDB
PDBbind
165aa, >1ZTQ_1|Chains... at 100%
2d1n
RCSB PDB
PDBbind
166aa, >2D1N_1|Chains... at 100%
2ow9
RCSB PDB
PDBbind
170aa, >2OW9_1|Chains... at 98%
2ozr
RCSB PDB
PDBbind
170aa, >2OZR_1|Chains... at 98%
2pjt
RCSB PDB
PDBbind
165aa, >2PJT_1|Chains... at 100%
2yig
RCSB PDB
PDBbind
171aa, >2YIG_1|Chains... at 100%
3elm
RCSB PDB
PDBbind
171aa, >3ELM_1|Chains... at 100%
3i7g
RCSB PDB
PDBbind
171aa, >3I7G_1|Chains... at 100%
3i7i
RCSB PDB
PDBbind
171aa, >3I7I_1|Chains... at 100%
3kec
RCSB PDB
PDBbind
167aa, >3KEC_1|Chains... at 100%
3kej
RCSB PDB
PDBbind
167aa, >3KEJ_1|Chains... at 100%
3kek
RCSB PDB
PDBbind
167aa, >3KEK_1|Chains... at 100%
3kry
RCSB PDB
PDBbind
164aa, >3KRY_1|Chains... at 100%
3ljz
RCSB PDB
PDBbind
164aa, >3LJZ_1|Chains... at 99%
3tvc
RCSB PDB
PDBbind
169aa, >3TVC_1|Chain... at 100%
3wv1
RCSB PDB
PDBbind
171aa, >3WV1_1|Chains... at 100%
3wv2
RCSB PDB
PDBbind
171aa, >3WV2_1|Chains... at 100%
3wv3
RCSB PDB
PDBbind
171aa, >3WV3_1|Chains... at 100%
3zxh
RCSB PDB
PDBbind
171aa, >3ZXH_1|Chains... at 100%
456c
RCSB PDB
PDBbind
168aa, >456C_1|Chains... at 100%
4a7b
RCSB PDB
PDBbind
169aa, >4A7B_1|Chains... at 100%
4jpa
RCSB PDB
PDBbind
173aa, >4JPA_1|Chains... *
4l19
RCSB PDB
PDBbind
171aa, >4L19_1|Chains... at 100%
5b5p
RCSB PDB
PDBbind
172aa, >5B5P_1|Chains... at 100%
5bot
RCSB PDB
PDBbind
171aa, >5BOT_1|Chains... at 100%
5boy
RCSB PDB
PDBbind
171aa, >5BOY_1|Chains... at 100%
5bpa
RCSB PDB
PDBbind
171aa, >5BPA_1|Chains... at 100%
5uwk
RCSB PDB
PDBbind
172aa, >5UWK_1|Chains... at 99%
5uwl
RCSB PDB
PDBbind
172aa, >5UWL_1|Chains... at 99%
5uwm
RCSB PDB
PDBbind
172aa, >5UWM_1|Chains... at 99%
5uwn
RCSB PDB
PDBbind
172aa, >5UWN_1|Chains... at 99%
830c
RCSB PDB
PDBbind
168aa, >830C_1|Chains... at 100%
6hv2
RCSB PDB
PDBbind
168aa, >6HV2_1|Chain... at 100%
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
5b5o
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Matrix Metalloproteinase 13
Ligand Name
WMM
EC.Number
E.C.-.-.-.-
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
IC50=1900nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Med. Chem. Vol. 60: pp. 608-626
Ligand Properties
Formula
C
1
2
H
1
1
N
5
S
2
Molecular Weight
289.379
Exact Mass
289.046
No. of atoms
30
No. of bonds
32
Polar Surface Area
120.03
LOGP Value
2.76 (
Computed with XLOGP3
)
3.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
c1ccc(cc1)Nc1scc(n1)CSc1nnc[nH]1
InChI String
InChI=1S/C12H11N5S2/c1-2-4-9(5-3-1)15-12-16-10(7-19-12)6-18-11-13-8-14-17-11/h1-5,7-8H,6H2,(H,15,16)(H,13,14,17)
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):
P45452
Entrez Gene ID
NCBI Entrez Gene ID:
4322
ASD
Information of known allosteric effects of PDB entries
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