Browse entries in the PDBbind-CN Database
HEADER 6E6M_COMPLEX COMPND 6E6M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 136 PRO VAL ASP PHE THR GLY TYR TRP LYS MET LEU VAL ASN SEQRES 2 A 136 GLU ASN PHE GLU GLU TYR LEU ARG ALA LEU ASP VAL ASN SEQRES 3 A 136 VAL ALA LEU ARG LYS ILE ALA ASN LEU LEU LYS PRO ASP SEQRES 4 A 136 LYS GLU ILE VAL GLN ASP GLY ASP HIS MET ILE ILE ARG SEQRES 5 A 136 THR LEU SER THR PHE ARG ASN TYR ILE MET ASP PHE GLN SEQRES 6 A 136 VAL GLY LYS GLU PHE GLU GLU ASP LEU THR GLY ILE ASP SEQRES 7 A 136 ASP ARG LYS CYS MET THR THR VAL SER TRP ASP GLY ASP SEQRES 8 A 136 LYS LEU GLN CYS VAL GLN LYS GLY GLU LYS GLU GLY ARG SEQRES 9 A 136 GLY TRP THR GLN TRP ILE GLU GLY ASP GLU LEU HIS LEU SEQRES 10 A 136 GLU MET ARG VAL GLU GLY VAL VAL CYS LYS GLN VAL PHE SEQRES 11 A 136 LYS LYS VAL GLN HIS HIS HET MOL A 388 41 ATOM 1 N PRO A 1 -18.413 31.978 14.464 1.00 65.32 N ATOM 2 CA PRO A 1 -19.137 30.866 13.846 1.00 63.42 C ATOM 3 C PRO A 1 -18.253 30.039 12.913 1.00 54.87 C ATOM 4 O PRO A 1 -18.045 30.446 11.767 1.00 60.83 O ATOM 5 CB PRO A 1 -20.238 31.579 13.057 1.00 63.46 C ATOM 6 CG PRO A 1 -19.644 32.969 12.730 1.00 64.26 C ATOM 7 CD PRO A 1 -18.394 33.150 13.572 1.00 64.49 C ATOM 8 HN2 PRO A 1 -17.435 31.682 14.659 1.00 0.00 H ATOM 9 HN1 PRO A 1 -18.881 32.236 15.356 1.00 0.00 H ATOM 10 N VAL A 2 -17.731 28.906 13.370 1.00 32.96 N ATOM 11 CA VAL A 2 -16.887 28.107 12.494 1.00 27.41 C ATOM 12 C VAL A 2 -17.770 27.231 11.622 1.00 21.42 C ATOM 13 O VAL A 2 -18.738 26.611 12.088 1.00 26.98 O ATOM 14 CB VAL A 2 -15.881 27.263 13.298 1.00 27.95 C ATOM 15 CG1 VAL A 2 -16.597 26.249 14.171 1.00 35.99 C ATOM 16 CG2 VAL A 2 -14.881 26.567 12.356 1.00 25.07 C ATOM 17 H VAL A 2 -17.923 28.593 14.343 1.00 0.00 H ATOM 18 N ASP A 3 -17.433 27.184 10.344 1.00 18.08 N ATOM 19 CA ASP A 3 -18.161 26.370 9.381 1.00 18.15 C ATOM 20 C ASP A 3 -17.115 25.771 8.464 1.00 14.21 C ATOM 21 O ASP A 3 -16.467 26.490 7.708 1.00 16.04 O ATOM 22 CB ASP A 3 -19.182 27.205 8.604 1.00 16.96 C ATOM 23 CG ASP A 3 -20.126 26.355 7.770 1.00 19.92 C ATOM 24 OD1 ASP A 3 -19.760 25.226 7.428 1.00 15.12 O ATOM 25 OD2 ASP A 3 -21.229 26.839 7.433 1.00 22.36 O ATOM 26 H ASP A 3 -16.622 27.747 10.016 1.00 0.00 H ATOM 27 N PHE A 4 -16.965 24.452 8.538 1.00 14.01 N ATOM 28 CA PHE A 4 -15.974 23.737 7.759 1.00 13.89 C ATOM 29 C PHE A 4 -16.421 23.457 6.331 1.00 13.83 C ATOM 30 O PHE A 4 -15.649 22.913 5.555 1.00 13.74 O ATOM 31 CB PHE A 4 -15.658 22.419 8.457 1.00 13.71 C ATOM 32 CG PHE A 4 -15.002 22.580 9.773 1.00 14.06 C ATOM 33 CD1 PHE A 4 -13.658 22.832 9.834 1.00 14.87 C ATOM 34 CD2 PHE A 4 -15.701 22.450 10.941 1.00 18.07 C ATOM 35 CE1 PHE A 4 -13.023 22.994 11.052 1.00 17.06 C ATOM 36 CE2 PHE A 4 -15.077 22.597 12.157 1.00 23.68 C ATOM 37 CZ PHE A 4 -13.727 22.855 12.205 1.00 19.97 C ATOM 38 H PHE A 4 -17.582 23.913 9.179 1.00 0.00 H ATOM 39 N THR A 5 -17.642 23.832 5.953 1.00 13.88 N ATOM 40 CA THR A 5 -18.124 23.538 4.616 1.00 13.83 C ATOM 41 C THR A 5 -17.185 24.101 3.556 1.00 13.92 C ATOM 42 O THR A 5 -16.851 25.293 3.571 1.00 14.40 O ATOM 43 CB THR A 5 -19.524 24.124 4.417 1.00 13.93 C ATOM 44 OG1 THR A 5 -20.396 23.557 5.394 1.00 13.85 O ATOM 45 CG2 THR A 5 -20.059 23.839 3.017 1.00 13.90 C ATOM 46 HG1 THR A 5 -20.063 23.777 6.300 1.00 0.00 H ATOM 47 H THR A 5 -18.255 24.340 6.622 1.00 0.00 H ATOM 48 N GLY A 6 -16.834 23.258 2.599 1.00 13.81 N ATOM 49 CA GLY A 6 -16.037 23.700 1.474 1.00 13.89 C ATOM 50 C GLY A 6 -15.205 22.579 0.883 1.00 13.74 C ATOM 51 O GLY A 6 -15.298 21.420 1.266 1.00 13.56 O ATOM 52 H GLY A 6 -17.135 22.264 2.655 1.00 0.00 H ATOM 53 N TYR A 7 -14.379 22.967 -0.084 1.00 13.82 N ATOM 54 CA TYR A 7 -13.495 22.039 -0.760 1.00 13.71 C ATOM 55 C TYR A 7 -12.079 22.465 -0.413 1.00 13.78 C ATOM 56 O TYR A 7 -11.790 23.651 -0.421 1.00 13.96 O ATOM 57 CB TYR A 7 -13.741 22.044 -2.271 1.00 13.77 C ATOM 58 CG TYR A 7 -13.218 20.812 -2.950 1.00 13.62 C ATOM 59 CD1 TYR A 7 -13.895 19.621 -2.874 1.00 18.98 C ATOM 60 CD2 TYR A 7 -12.008 20.822 -3.624 1.00 24.59 C ATOM 61 CE1 TYR A 7 -13.424 18.484 -3.480 1.00 22.12 C ATOM 62 CE2 TYR A 7 -11.516 19.667 -4.228 1.00 25.77 C ATOM 63 CZ TYR A 7 -12.235 18.511 -4.147 1.00 19.70 C ATOM 64 OH TYR A 7 -11.776 17.348 -4.747 1.00 23.21 O ATOM 65 HH TYR A 7 -10.897 17.104 -4.362 1.00 0.00 H ATOM 66 H TYR A 7 -14.367 23.968 -0.364 1.00 0.00 H ATOM 67 N TRP A 8 -11.239 21.512 -0.035 1.00 13.63 N ATOM 68 CA TRP A 8 -9.964 21.799 0.623 1.00 13.68 C ATOM 69 C TRP A 8 -8.836 20.960 0.012 1.00 13.59 C ATOM 70 O TRP A 8 -8.960 19.740 -0.103 1.00 13.41 O ATOM 71 CB TRP A 8 -10.061 21.505 2.119 1.00 13.60 C ATOM 72 CG TRP A 8 -11.187 22.211 2.851 1.00 13.68 C ATOM 73 CD1 TRP A 8 -12.488 21.786 3.001 1.00 13.83 C ATOM 74 CD2 TRP A 8 -11.096 23.463 3.557 1.00 13.87 C ATOM 75 NE1 TRP A 8 -13.195 22.702 3.736 1.00 13.73 N ATOM 76 CE2 TRP A 8 -12.370 23.734 4.092 1.00 13.89 C ATOM 77 CE3 TRP A 8 -10.063 24.393 3.780 1.00 14.03 C ATOM 78 CZ2 TRP A 8 -12.637 24.876 4.833 1.00 14.59 C ATOM 79 CZ3 TRP A 8 -10.338 25.518 4.526 1.00 16.22 C ATOM 80 CH2 TRP A 8 -11.619 25.754 5.036 1.00 16.61 C ATOM 81 HE1 TRP A 8 -14.202 22.625 3.984 1.00 0.00 H ATOM 82 H TRP A 8 -11.496 20.520 -0.213 1.00 0.00 H ATOM 83 N LYS A 9 -7.718 21.600 -0.308 1.00 13.71 N ATOM 84 CA LYS A 9 -6.605 20.956 -0.989 1.00 13.66 C ATOM 85 C LYS A 9 -5.422 20.825 -0.035 1.00 13.64 C ATOM 86 O LYS A 9 -5.080 21.786 0.660 1.00 13.78 O ATOM 87 CB LYS A 9 -6.212 21.773 -2.219 1.00 14.79 C ATOM 88 CG LYS A 9 -5.220 21.101 -3.124 1.00 13.80 C ATOM 89 CD LYS A 9 -5.326 21.665 -4.526 1.00 15.47 C ATOM 90 CE LYS A 9 -4.464 20.919 -5.528 1.00 15.72 C ATOM 91 NZ LYS A 9 -4.758 21.420 -6.903 1.00 18.02 N ATOM 92 HZ1 LYS A 9 -5.762 21.261 -7.121 1.00 0.00 H ATOM 93 HZ2 LYS A 9 -4.548 22.437 -6.952 1.00 0.00 H ATOM 94 HZ3 LYS A 9 -4.168 20.909 -7.590 1.00 0.00 H ATOM 95 H LYS A 9 -7.634 22.607 -0.061 1.00 0.00 H ATOM 96 N MET A 10 -4.795 19.644 -0.005 1.00 13.49 N ATOM 97 CA MET A 10 -3.705 19.401 0.943 1.00 13.46 C ATOM 98 C MET A 10 -2.484 20.269 0.637 1.00 13.64 C ATOM 99 O MET A 10 -1.965 20.254 -0.484 1.00 13.68 O ATOM 100 CB MET A 10 -3.293 17.930 0.941 1.00 14.21 C ATOM 101 CG MET A 10 -2.448 17.587 2.161 1.00 14.74 C ATOM 102 SD MET A 10 -1.407 16.148 1.960 1.00 17.10 S ATOM 103 CE MET A 10 -0.008 17.014 1.240 1.00 24.13 C ATOM 104 H MET A 10 -5.084 18.891 -0.661 1.00 0.00 H ATOM 105 N LEU A 11 -2.034 20.993 1.656 1.00 13.74 N ATOM 106 CA LEU A 11 -0.824 21.810 1.556 1.00 13.92 C ATOM 107 C LEU A 11 0.375 21.118 2.177 1.00 13.85 C ATOM 108 O LEU A 11 1.416 21.038 1.527 1.00 13.89 O ATOM 109 CB LEU A 11 -1.021 23.167 2.229 1.00 14.12 C ATOM 110 CG LEU A 11 0.116 24.154 1.984 1.00 15.07 C ATOM 111 CD1 LEU A 11 0.047 24.726 0.579 1.00 15.32 C ATOM 112 CD2 LEU A 11 0.024 25.272 3.012 1.00 17.99 C ATOM 113 H LEU A 11 -2.559 20.979 2.554 1.00 0.00 H ATOM 114 N VAL A 12 0.237 20.631 3.408 1.00 13.76 N ATOM 115 CA VAL A 12 1.294 19.928 4.123 1.00 13.70 C ATOM 116 C VAL A 12 0.692 18.752 4.879 1.00 14.44 C ATOM 117 O VAL A 12 -0.484 18.748 5.266 1.00 13.45 O ATOM 118 CB VAL A 12 2.054 20.839 5.116 1.00 13.88 C ATOM 119 CG1 VAL A 12 2.784 21.949 4.382 1.00 14.24 C ATOM 120 CG2 VAL A 12 1.139 21.440 6.161 1.00 16.42 C ATOM 121 H VAL A 12 -0.677 20.760 3.887 1.00 0.00 H ATOM 122 N ASN A 13 1.561 17.772 5.139 1.00 13.39 N ATOM 123 CA ASN A 13 1.203 16.550 5.860 1.00 13.21 C ATOM 124 C ASN A 13 2.476 16.096 6.577 1.00 13.21 C ATOM 125 O ASN A 13 3.355 15.461 5.973 1.00 13.15 O ATOM 126 CB ASN A 13 0.657 15.487 4.927 1.00 13.03 C ATOM 127 CG ASN A 13 0.285 14.215 5.667 1.00 12.85 C ATOM 128 OD1 ASN A 13 0.162 14.198 6.881 1.00 12.93 O ATOM 129 ND2 ASN A 13 0.108 13.152 4.936 1.00 14.72 N ATOM 130 HD22 ASN A 13 0.222 13.206 3.904 1.00 0.00 H ATOM 131 HD21 ASN A 13 -0.147 12.249 5.385 1.00 0.00 H ATOM 132 H ASN A 13 2.542 17.883 4.812 1.00 0.00 H ATOM 133 N GLU A 14 2.546 16.414 7.863 1.00 13.76 N ATOM 134 CA GLU A 14 3.748 16.259 8.674 1.00 13.34 C ATOM 135 C GLU A 14 3.660 15.027 9.564 1.00 13.19 C ATOM 136 O GLU A 14 2.721 14.880 10.348 1.00 13.15 O ATOM 137 CB GLU A 14 3.936 17.500 9.538 1.00 14.58 C ATOM 138 CG GLU A 14 5.149 17.512 10.393 1.00 16.42 C ATOM 139 CD GLU A 14 5.284 18.820 11.147 1.00 22.07 C ATOM 140 OE1 GLU A 14 6.404 19.341 11.208 1.00 21.88 O ATOM 141 OE2 GLU A 14 4.249 19.350 11.639 1.00 24.22 O ATOM 142 H GLU A 14 1.693 16.796 8.320 1.00 0.00 H ATOM 143 N ASN A 15 4.681 14.169 9.471 1.00 13.12 N ATOM 144 CA ASN A 15 4.866 13.023 10.359 1.00 13.31 C ATOM 145 C ASN A 15 3.780 11.959 10.209 1.00 12.81 C ATOM 146 O ASN A 15 3.505 11.212 11.154 1.00 13.98 O ATOM 147 CB ASN A 15 4.974 13.454 11.820 1.00 13.13 C ATOM 148 CG ASN A 15 5.710 12.428 12.679 1.00 13.51 C ATOM 149 OD1 ASN A 15 6.694 11.788 12.233 1.00 18.18 O ATOM 150 ND2 ASN A 15 5.268 12.272 13.901 1.00 15.19 N ATOM 151 HD22 ASN A 15 4.450 12.822 14.232 1.00 0.00 H ATOM 152 HD21 ASN A 15 5.735 11.598 14.541 1.00 0.00 H ATOM 153 H ASN A 15 5.385 14.326 8.722 1.00 0.00 H ATOM 154 N PHE A 16 3.231 11.805 9.009 1.00 12.73 N ATOM 155 CA PHE A 16 2.139 10.845 8.811 1.00 12.55 C ATOM 156 C PHE A 16 2.631 9.407 8.914 1.00 13.37 C ATOM 157 O PHE A 16 1.912 8.529 9.410 1.00 14.65 O ATOM 158 CB PHE A 16 1.515 11.097 7.446 1.00 12.52 C ATOM 159 CG PHE A 16 0.182 10.473 7.221 1.00 12.85 C ATOM 160 CD1 PHE A 16 -0.803 10.555 8.173 1.00 13.31 C ATOM 161 CD2 PHE A 16 -0.112 9.860 6.003 1.00 12.66 C ATOM 162 CE1 PHE A 16 -2.066 10.039 7.928 1.00 14.75 C ATOM 163 CE2 PHE A 16 -1.369 9.367 5.741 1.00 12.19 C ATOM 164 CZ PHE A 16 -2.346 9.442 6.717 1.00 13.47 C ATOM 165 H PHE A 16 3.577 12.368 8.206 1.00 0.00 H ATOM 166 N GLU A 17 3.849 9.144 8.444 1.00 13.35 N ATOM 167 CA GLU A 17 4.335 7.770 8.450 1.00 15.18 C ATOM 168 C GLU A 17 4.462 7.223 9.868 1.00 15.41 C ATOM 169 O GLU A 17 4.082 6.066 10.122 1.00 15.13 O ATOM 170 CB GLU A 17 5.671 7.684 7.704 1.00 14.92 C ATOM 171 CG GLU A 17 5.510 7.866 6.191 1.00 17.71 C ATOM 172 CD GLU A 17 6.724 7.441 5.364 1.00 32.58 C ATOM 173 OE1 GLU A 17 7.556 6.658 5.874 1.00 31.44 O ATOM 174 OE2 GLU A 17 6.807 7.852 4.184 1.00 34.56 O ATOM 175 H GLU A 17 4.447 9.911 8.076 1.00 0.00 H ATOM 176 N GLU A 18 4.956 8.037 10.811 1.00 14.15 N ATOM 177 CA GLU A 18 5.055 7.568 12.191 1.00 18.91 C ATOM 178 C GLU A 18 3.672 7.398 12.808 1.00 13.84 C ATOM 179 O GLU A 18 3.438 6.486 13.611 1.00 15.31 O ATOM 180 CB GLU A 18 5.903 8.530 13.017 1.00 18.50 C ATOM 181 CG GLU A 18 7.420 8.434 12.731 1.00 23.43 C ATOM 182 CD GLU A 18 8.036 7.075 13.097 1.00 27.07 C ATOM 183 OE1 GLU A 18 8.133 6.194 12.210 1.00 29.60 O ATOM 184 OE2 GLU A 18 8.403 6.886 14.274 1.00 30.30 O ATOM 185 H GLU A 18 5.267 8.998 10.562 1.00 0.00 H ATOM 186 N TYR A 19 2.735 8.280 12.457 1.00 12.42 N ATOM 187 CA TYR A 19 1.372 8.107 12.926 1.00 13.15 C ATOM 188 C TYR A 19 0.809 6.778 12.448 1.00 12.63 C ATOM 189 O TYR A 19 0.263 6.006 13.241 1.00 13.47 O ATOM 190 CB TYR A 19 0.527 9.290 12.460 1.00 13.67 C ATOM 191 CG TYR A 19 -0.973 9.096 12.638 1.00 12.97 C ATOM 192 CD1 TYR A 19 -1.572 9.353 13.850 1.00 12.46 C ATOM 193 CD2 TYR A 19 -1.766 8.634 11.603 1.00 12.26 C ATOM 194 CE1 TYR A 19 -2.934 9.173 14.028 1.00 12.41 C ATOM 195 CE2 TYR A 19 -3.124 8.462 11.761 1.00 12.21 C ATOM 196 CZ TYR A 19 -3.706 8.728 12.975 1.00 14.05 C ATOM 197 OH TYR A 19 -5.067 8.544 13.119 1.00 15.49 O ATOM 198 HH TYR A 19 -5.334 8.776 14.044 1.00 0.00 H ATOM 199 H TYR A 19 2.980 9.088 11.850 1.00 0.00 H ATOM 200 N LEU A 20 0.972 6.475 11.163 1.00 12.13 N ATOM 201 CA LEU A 20 0.477 5.207 10.645 1.00 13.79 C ATOM 202 C LEU A 20 1.229 4.033 11.268 1.00 16.36 C ATOM 203 O LEU A 20 0.643 2.974 11.514 1.00 14.44 O ATOM 204 CB LEU A 20 0.590 5.192 9.117 1.00 13.91 C ATOM 205 CG LEU A 20 -0.344 6.192 8.399 1.00 15.43 C ATOM 206 CD1 LEU A 20 -0.084 6.164 6.899 1.00 16.53 C ATOM 207 CD2 LEU A 20 -1.840 5.949 8.703 1.00 15.11 C ATOM 208 H LEU A 20 1.453 7.144 10.528 1.00 0.00 H ATOM 209 N ARG A 21 2.534 4.193 11.526 1.00 14.20 N ATOM 210 CA ARG A 21 3.276 3.100 12.163 1.00 16.60 C ATOM 211 C ARG A 21 2.694 2.764 13.539 1.00 16.70 C ATOM 212 O ARG A 21 2.610 1.584 13.921 1.00 16.16 O ATOM 213 CB ARG A 21 4.765 3.444 12.274 1.00 18.94 C ATOM 214 CG ARG A 21 5.604 2.262 12.767 1.00 18.29 C ATOM 215 CD ARG A 21 7.085 2.501 12.610 1.00 22.18 C ATOM 216 NE ARG A 21 7.566 3.504 13.529 1.00 22.03 N ATOM 217 CZ ARG A 21 7.835 3.298 14.820 1.00 28.46 C ATOM 218 NH1 ARG A 21 7.650 2.106 15.371 1.00 34.99 N ATOM 219 NH2 ARG A 21 8.286 4.304 15.567 1.00 28.12 N ATOM 220 HE ARG A 21 7.715 4.463 13.156 1.00 0.00 H ATOM 221 HH12 ARG A 21 7.864 1.960 16.378 1.00 0.00 H ATOM 222 HH11 ARG A 21 7.291 1.317 14.796 1.00 0.00 H ATOM 223 HH22 ARG A 21 8.498 4.150 16.574 1.00 0.00 H ATOM 224 HH21 ARG A 21 8.427 5.244 15.144 1.00 0.00 H ATOM 225 H ARG A 21 3.015 5.081 11.278 1.00 0.00 H ATOM 226 N ALA A 22 2.295 3.786 14.300 1.00 15.12 N ATOM 227 CA ALA A 22 1.665 3.577 15.598 1.00 15.33 C ATOM 228 C ALA A 22 0.314 2.872 15.487 1.00 15.84 C ATOM 229 O ALA A 22 -0.141 2.265 16.465 1.00 22.42 O ATOM 230 CB ALA A 22 1.520 4.917 16.308 1.00 17.15 C ATOM 231 H ALA A 22 2.438 4.758 13.957 1.00 0.00 H ATOM 232 N LEU A 23 -0.331 2.928 14.321 1.00 15.93 N ATOM 233 CA LEU A 23 -1.525 2.163 14.035 1.00 13.83 C ATOM 234 C LEU A 23 -1.205 0.792 13.437 1.00 18.92 C ATOM 235 O LEU A 23 -2.127 0.076 13.022 1.00 18.47 O ATOM 236 CB LEU A 23 -2.436 2.953 13.088 1.00 13.85 C ATOM 237 CG LEU A 23 -2.983 4.271 13.599 1.00 13.07 C ATOM 238 CD1 LEU A 23 -3.807 4.885 12.470 1.00 16.71 C ATOM 239 CD2 LEU A 23 -3.834 4.071 14.841 1.00 15.95 C ATOM 240 H LEU A 23 0.044 3.554 13.579 1.00 0.00 H ATOM 241 N ASP A 24 0.082 0.420 13.367 1.00 17.99 N ATOM 242 CA ASP A 24 0.525 -0.888 12.891 1.00 20.15 C ATOM 243 C ASP A 24 0.323 -1.073 11.395 1.00 21.08 C ATOM 244 O ASP A 24 0.299 -2.203 10.905 1.00 20.88 O ATOM 245 CB ASP A 24 -0.172 -2.016 13.654 1.00 21.45 C ATOM 246 CG ASP A 24 -0.078 -1.843 15.149 1.00 22.27 C ATOM 247 OD1 ASP A 24 1.059 -1.906 15.677 1.00 27.77 O ATOM 248 OD2 ASP A 24 -1.119 -1.654 15.800 1.00 26.17 O ATOM 249 H ASP A 24 0.806 1.102 13.669 1.00 0.00 H ATOM 250 N VAL A 25 0.204 0.021 10.645 1.00 18.66 N ATOM 251 CA VAL A 25 0.154 -0.049 9.187 1.00 14.52 C ATOM 252 C VAL A 25 1.534 -0.447 8.677 1.00 16.14 C ATOM 253 O VAL A 25 2.547 0.112 9.102 1.00 17.06 O ATOM 254 CB VAL A 25 -0.305 1.311 8.626 1.00 14.46 C ATOM 255 CG1 VAL A 25 -0.262 1.355 7.101 1.00 15.00 C ATOM 256 CG2 VAL A 25 -1.723 1.630 9.123 1.00 17.23 C ATOM 257 H VAL A 25 0.145 0.950 11.110 1.00 0.00 H ATOM 258 N ASN A 26 1.594 -1.430 7.794 1.00 19.20 N ATOM 259 CA ASN A 26 2.923 -1.898 7.432 1.00 18.74 C ATOM 260 C ASN A 26 3.591 -0.925 6.462 1.00 18.42 C ATOM 261 O ASN A 26 2.945 -0.101 5.805 1.00 22.60 O ATOM 262 CB ASN A 26 2.871 -3.305 6.850 1.00 19.74 C ATOM 263 CG ASN A 26 2.176 -3.368 5.508 1.00 17.90 C ATOM 264 OD1 ASN A 26 2.096 -2.383 4.784 1.00 20.88 O ATOM 265 ND2 ASN A 26 1.697 -4.555 5.155 1.00 22.96 N ATOM 266 HD22 ASN A 26 1.787 -5.365 5.801 1.00 0.00 H ATOM 267 HD21 ASN A 26 1.232 -4.675 4.232 1.00 0.00 H ATOM 268 H ASN A 26 0.736 -1.847 7.380 1.00 0.00 H ATOM 269 N VAL A 27 4.920 -1.034 6.379 1.00 16.53 N ATOM 270 CA VAL A 27 5.726 0.017 5.766 1.00 16.85 C ATOM 271 C VAL A 27 5.314 0.273 4.312 1.00 17.44 C ATOM 272 O VAL A 27 5.351 1.420 3.845 1.00 17.05 O ATOM 273 CB VAL A 27 7.231 -0.326 5.889 1.00 19.36 C ATOM 274 CG1 VAL A 27 7.616 -1.531 5.045 1.00 22.09 C ATOM 275 CG2 VAL A 27 8.086 0.853 5.530 1.00 24.16 C ATOM 276 H VAL A 27 5.388 -1.882 6.758 1.00 0.00 H ATOM 277 N ALA A 28 4.903 -0.756 3.567 1.00 21.42 N ATOM 278 CA ALA A 28 4.538 -0.503 2.174 1.00 18.23 C ATOM 279 C ALA A 28 3.364 0.470 2.071 1.00 15.79 C ATOM 280 O ALA A 28 3.384 1.402 1.255 1.00 17.14 O ATOM 281 CB ALA A 28 4.203 -1.810 1.465 1.00 23.06 C ATOM 282 H ALA A 28 4.844 -1.714 3.968 1.00 0.00 H ATOM 283 N LEU A 29 2.346 0.289 2.898 1.00 17.68 N ATOM 284 CA LEU A 29 1.190 1.182 2.806 1.00 15.72 C ATOM 285 C LEU A 29 1.506 2.544 3.406 1.00 17.07 C ATOM 286 O LEU A 29 0.985 3.562 2.938 1.00 17.06 O ATOM 287 CB LEU A 29 -0.034 0.574 3.484 1.00 16.99 C ATOM 288 CG LEU A 29 -1.306 1.427 3.496 1.00 21.67 C ATOM 289 CD1 LEU A 29 -1.697 1.904 2.114 1.00 16.91 C ATOM 290 CD2 LEU A 29 -2.447 0.636 4.103 1.00 19.30 C ATOM 291 H LEU A 29 2.367 -0.476 3.602 1.00 0.00 H ATOM 292 N ARG A 30 2.346 2.584 4.436 1.00 14.88 N ATOM 293 CA ARG A 30 2.775 3.875 4.975 1.00 14.04 C ATOM 294 C ARG A 30 3.392 4.729 3.880 1.00 17.81 C ATOM 295 O ARG A 30 3.081 5.916 3.749 1.00 14.96 O ATOM 296 CB ARG A 30 3.798 3.696 6.109 1.00 19.44 C ATOM 297 CG ARG A 30 3.295 2.928 7.290 1.00 22.18 C ATOM 298 CD ARG A 30 4.107 3.181 8.550 1.00 20.57 C ATOM 299 NE ARG A 30 5.527 2.802 8.523 1.00 20.88 N ATOM 300 CZ ARG A 30 6.039 1.669 8.997 1.00 20.64 C ATOM 301 NH1 ARG A 30 5.261 0.716 9.503 1.00 20.51 N ATOM 302 NH2 ARG A 30 7.356 1.494 8.971 1.00 23.73 N ATOM 303 HE ARG A 30 6.190 3.479 8.096 1.00 0.00 H ATOM 304 HH12 ARG A 30 5.684 -0.161 9.868 1.00 0.00 H ATOM 305 HH11 ARG A 30 4.230 0.848 9.534 1.00 0.00 H ATOM 306 HH22 ARG A 30 7.771 0.614 9.338 1.00 0.00 H ATOM 307 HH21 ARG A 30 7.972 2.237 8.584 1.00 0.00 H ATOM 308 H ARG A 30 2.697 1.700 4.857 1.00 0.00 H ATOM 309 N LYS A 31 4.297 4.146 3.085 1.00 17.29 N ATOM 310 CA LYS A 31 4.963 4.946 2.063 1.00 17.28 C ATOM 311 C LYS A 31 3.986 5.369 0.967 1.00 18.53 C ATOM 312 O LYS A 31 3.987 6.534 0.544 1.00 20.56 O ATOM 313 CB LYS A 31 6.133 4.154 1.493 1.00 17.71 C ATOM 314 CG LYS A 31 7.266 4.058 2.496 1.00 28.76 C ATOM 315 CD LYS A 31 8.426 3.193 1.998 1.00 41.64 C ATOM 316 CE LYS A 31 9.695 3.366 2.849 1.00 44.79 C ATOM 317 NZ LYS A 31 9.512 4.268 4.026 1.00 46.89 N ATOM 318 HZ1 LYS A 31 9.229 5.213 3.696 1.00 0.00 H ATOM 319 HZ2 LYS A 31 8.773 3.880 4.647 1.00 0.00 H ATOM 320 HZ3 LYS A 31 10.407 4.337 4.551 1.00 0.00 H ATOM 321 H LYS A 31 4.522 3.137 3.194 1.00 0.00 H ATOM 322 N ILE A 32 3.134 4.449 0.516 1.00 16.43 N ATOM 323 CA ILE A 32 2.087 4.786 -0.454 1.00 14.32 C ATOM 324 C ILE A 32 1.212 5.906 0.079 1.00 16.59 C ATOM 325 O ILE A 32 0.947 6.895 -0.609 1.00 17.69 O ATOM 326 CB ILE A 32 1.235 3.547 -0.778 1.00 17.42 C ATOM 327 CG1 ILE A 32 2.056 2.541 -1.584 1.00 18.78 C ATOM 328 CG2 ILE A 32 -0.104 3.950 -1.504 1.00 20.77 C ATOM 329 CD1 ILE A 32 1.417 1.166 -1.603 1.00 18.70 C ATOM 330 H ILE A 32 3.213 3.471 0.859 1.00 0.00 H ATOM 331 N ALA A 33 0.732 5.752 1.306 1.00 15.28 N ATOM 332 CA ALA A 33 -0.249 6.694 1.828 1.00 13.49 C ATOM 333 C ALA A 33 0.353 8.069 1.992 1.00 14.79 C ATOM 334 O ALA A 33 -0.349 9.081 1.819 1.00 15.71 O ATOM 335 CB ALA A 33 -0.803 6.202 3.163 1.00 15.58 C ATOM 336 H ALA A 33 1.056 4.959 1.895 1.00 0.00 H ATOM 337 N ASN A 34 1.635 8.140 2.357 1.00 15.06 N ATOM 338 CA ASN A 34 2.240 9.434 2.607 1.00 15.50 C ATOM 339 C ASN A 34 2.556 10.184 1.324 1.00 15.92 C ATOM 340 O ASN A 34 2.752 11.401 1.373 1.00 19.26 O ATOM 341 CB ASN A 34 3.485 9.261 3.441 1.00 15.42 C ATOM 342 CG ASN A 34 4.049 10.571 3.910 1.00 16.59 C ATOM 343 OD1 ASN A 34 3.334 11.388 4.470 1.00 20.67 O ATOM 344 ND2 ASN A 34 5.349 10.784 3.667 1.00 19.98 N ATOM 345 HD22 ASN A 34 5.914 10.055 3.186 1.00 0.00 H ATOM 346 HD21 ASN A 34 5.793 11.678 3.959 1.00 0.00 H ATOM 347 H ASN A 34 2.197 7.271 2.462 1.00 0.00 H ATOM 348 N LEU A 35 2.589 9.501 0.185 1.00 15.58 N ATOM 349 CA LEU A 35 2.713 10.183 -1.094 1.00 22.04 C ATOM 350 C LEU A 35 1.383 10.719 -1.606 1.00 18.12 C ATOM 351 O LEU A 35 1.377 11.524 -2.541 1.00 21.12 O ATOM 352 CB LEU A 35 3.309 9.235 -2.130 1.00 21.34 C ATOM 353 CG LEU A 35 4.770 8.881 -1.826 1.00 23.80 C ATOM 354 CD1 LEU A 35 5.234 7.772 -2.761 1.00 26.25 C ATOM 355 CD2 LEU A 35 5.692 10.064 -1.941 1.00 28.66 C ATOM 356 H LEU A 35 2.525 8.463 0.208 1.00 0.00 H ATOM 357 N LEU A 36 0.267 10.288 -1.025 1.00 16.84 N ATOM 358 CA LEU A 36 -1.043 10.754 -1.460 1.00 16.51 C ATOM 359 C LEU A 36 -1.311 12.150 -0.914 1.00 17.76 C ATOM 360 O LEU A 36 -0.892 12.507 0.188 1.00 18.13 O ATOM 361 CB LEU A 36 -2.149 9.790 -1.010 1.00 15.12 C ATOM 362 CG LEU A 36 -2.006 8.348 -1.531 1.00 17.86 C ATOM 363 CD1 LEU A 36 -3.147 7.461 -1.017 1.00 20.04 C ATOM 364 CD2 LEU A 36 -1.945 8.310 -3.050 1.00 21.32 C ATOM 365 H LEU A 36 0.331 9.604 -0.244 1.00 0.00 H ATOM 366 N LYS A 37 -2.018 12.947 -1.706 1.00 16.85 N ATOM 367 CA LYS A 37 -2.348 14.324 -1.346 1.00 17.13 C ATOM 368 C LYS A 37 -3.846 14.525 -1.552 1.00 14.35 C ATOM 369 O LYS A 37 -4.271 15.268 -2.452 1.00 17.54 O ATOM 370 CB LYS A 37 -1.517 15.294 -2.181 1.00 18.90 C ATOM 371 CG LYS A 37 -0.023 15.134 -1.943 1.00 18.82 C ATOM 372 CD LYS A 37 0.845 16.037 -2.837 1.00 24.40 C ATOM 373 CE LYS A 37 0.818 15.606 -4.304 1.00 25.96 C ATOM 374 NZ LYS A 37 1.831 16.375 -5.121 1.00 29.97 N ATOM 375 HZ1 LYS A 37 1.616 17.391 -5.070 1.00 0.00 H ATOM 376 HZ2 LYS A 37 2.784 16.202 -4.742 1.00 0.00 H ATOM 377 HZ3 LYS A 37 1.788 16.059 -6.111 1.00 0.00 H ATOM 378 H LYS A 37 -2.350 12.576 -2.619 1.00 0.00 H ATOM 379 N PRO A 38 -4.681 13.849 -0.749 1.00 16.64 N ATOM 380 CA PRO A 38 -6.132 13.896 -0.978 1.00 13.85 C ATOM 381 C PRO A 38 -6.710 15.268 -0.717 1.00 13.71 C ATOM 382 O PRO A 38 -6.197 16.057 0.076 1.00 15.03 O ATOM 383 CB PRO A 38 -6.694 12.888 0.031 1.00 16.41 C ATOM 384 CG PRO A 38 -5.675 12.892 1.138 1.00 19.13 C ATOM 385 CD PRO A 38 -4.343 13.060 0.445 1.00 20.66 C ATOM 386 N ASP A 39 -7.813 15.536 -1.399 1.00 13.53 N ATOM 387 CA ASP A 39 -8.661 16.667 -1.107 1.00 13.64 C ATOM 388 C ASP A 39 -9.621 16.306 0.019 1.00 12.92 C ATOM 389 O ASP A 39 -9.887 15.124 0.297 1.00 13.71 O ATOM 390 CB ASP A 39 -9.487 17.064 -2.335 1.00 14.27 C ATOM 391 CG ASP A 39 -8.655 17.382 -3.560 1.00 19.83 C ATOM 392 OD1 ASP A 39 -7.577 17.989 -3.437 1.00 18.69 O ATOM 393 OD2 ASP A 39 -9.116 17.071 -4.677 1.00 20.74 O ATOM 394 H ASP A 39 -8.080 14.903 -2.180 1.00 0.00 H ATOM 395 N LYS A 40 -10.174 17.321 0.654 1.00 13.04 N ATOM 396 CA LYS A 40 -11.311 17.107 1.545 1.00 13.55 C ATOM 397 C LYS A 40 -12.492 17.922 1.070 1.00 13.09 C ATOM 398 O LYS A 40 -12.369 19.130 0.840 1.00 13.39 O ATOM 399 CB LYS A 40 -10.956 17.456 2.982 1.00 16.96 C ATOM 400 CG LYS A 40 -10.010 16.469 3.550 1.00 19.84 C ATOM 401 CD LYS A 40 -9.706 16.769 4.977 1.00 24.46 C ATOM 402 CE LYS A 40 -8.763 15.735 5.568 1.00 17.65 C ATOM 403 NZ LYS A 40 -9.457 14.509 6.073 1.00 20.30 N ATOM 404 HZ1 LYS A 40 -10.132 14.776 6.818 1.00 0.00 H ATOM 405 HZ2 LYS A 40 -9.967 14.053 5.289 1.00 0.00 H ATOM 406 HZ3 LYS A 40 -8.753 13.849 6.461 1.00 0.00 H ATOM 407 H LYS A 40 -9.798 18.281 0.519 1.00 0.00 H ATOM 408 N GLU A 41 -13.640 17.249 0.949 1.00 13.00 N ATOM 409 CA GLU A 41 -14.917 17.891 0.685 1.00 13.09 C ATOM 410 C GLU A 41 -15.774 17.743 1.934 1.00 13.04 C ATOM 411 O GLU A 41 -16.068 16.614 2.363 1.00 15.47 O ATOM 412 CB GLU A 41 -15.607 17.276 -0.522 1.00 13.58 C ATOM 413 CG GLU A 41 -16.841 18.030 -0.942 1.00 16.04 C ATOM 414 CD GLU A 41 -17.685 17.227 -1.915 1.00 22.48 C ATOM 415 OE1 GLU A 41 -18.482 16.391 -1.438 1.00 23.67 O ATOM 416 OE2 GLU A 41 -17.546 17.421 -3.140 1.00 23.92 O ATOM 417 H GLU A 41 -13.619 16.214 1.049 1.00 0.00 H ATOM 418 N ILE A 42 -16.162 18.871 2.526 1.00 13.19 N ATOM 419 CA ILE A 42 -16.870 18.886 3.800 1.00 13.18 C ATOM 420 C ILE A 42 -18.188 19.614 3.621 1.00 13.28 C ATOM 421 O ILE A 42 -18.228 20.719 3.070 1.00 13.44 O ATOM 422 CB ILE A 42 -16.051 19.567 4.911 1.00 13.26 C ATOM 423 CG1 ILE A 42 -14.744 18.794 5.092 1.00 13.16 C ATOM 424 CG2 ILE A 42 -16.903 19.672 6.219 1.00 14.03 C ATOM 425 CD1 ILE A 42 -13.865 19.375 6.094 1.00 13.25 C ATOM 426 H ILE A 42 -15.952 19.777 2.061 1.00 0.00 H ATOM 427 N VAL A 43 -19.256 19.017 4.130 1.00 13.21 N ATOM 428 CA VAL A 43 -20.521 19.722 4.292 1.00 13.32 C ATOM 429 C VAL A 43 -20.890 19.663 5.758 1.00 14.44 C ATOM 430 O VAL A 43 -21.083 18.577 6.315 1.00 13.18 O ATOM 431 CB VAL A 43 -21.648 19.141 3.433 1.00 13.27 C ATOM 432 CG1 VAL A 43 -22.971 19.904 3.727 1.00 15.85 C ATOM 433 CG2 VAL A 43 -21.328 19.255 1.971 1.00 14.50 C ATOM 434 H VAL A 43 -19.190 18.021 4.421 1.00 0.00 H ATOM 435 N GLN A 44 -20.966 20.823 6.384 1.00 13.48 N ATOM 436 CA GLN A 44 -21.442 20.964 7.745 1.00 13.52 C ATOM 437 C GLN A 44 -22.896 21.448 7.666 1.00 14.34 C ATOM 438 O GLN A 44 -23.154 22.524 7.130 1.00 15.11 O ATOM 439 CB GLN A 44 -20.558 21.962 8.489 1.00 13.66 C ATOM 440 CG GLN A 44 -20.890 22.186 9.934 1.00 15.66 C ATOM 441 CD GLN A 44 -19.928 23.145 10.589 1.00 20.41 C ATOM 442 OE1 GLN A 44 -18.732 23.096 10.325 1.00 20.61 O ATOM 443 NE2 GLN A 44 -20.434 24.008 11.455 1.00 19.86 N ATOM 444 HE22 GLN A 44 -21.456 24.013 11.647 1.00 0.00 H ATOM 445 HE21 GLN A 44 -19.810 24.681 11.943 1.00 0.00 H ATOM 446 H GLN A 44 -20.669 21.679 5.874 1.00 0.00 H ATOM 447 N ASP A 45 -23.834 20.658 8.188 1.00 13.53 N ATOM 448 CA ASP A 45 -25.286 20.878 7.989 1.00 13.59 C ATOM 449 C ASP A 45 -25.908 20.802 9.377 1.00 13.62 C ATOM 450 O ASP A 45 -26.289 19.720 9.822 1.00 13.75 O ATOM 451 CB ASP A 45 -25.844 19.830 7.013 1.00 13.45 C ATOM 452 CG ASP A 45 -27.317 19.981 6.744 1.00 13.51 C ATOM 453 OD1 ASP A 45 -27.862 21.031 7.112 1.00 13.67 O ATOM 454 OD2 ASP A 45 -27.865 19.017 6.146 1.00 13.41 O ATOM 455 H ASP A 45 -23.532 19.846 8.764 1.00 0.00 H ATOM 456 N GLY A 46 -25.977 21.940 10.068 1.00 15.80 N ATOM 457 CA GLY A 46 -26.275 21.889 11.482 1.00 17.74 C ATOM 458 C GLY A 46 -25.156 21.127 12.154 1.00 21.15 C ATOM 459 O GLY A 46 -23.977 21.402 11.925 1.00 22.33 O ATOM 460 H GLY A 46 -25.818 22.853 9.596 1.00 0.00 H ATOM 461 N ASP A 47 -25.503 20.132 12.953 1.00 19.20 N ATOM 462 CA ASP A 47 -24.484 19.301 13.580 1.00 22.72 C ATOM 463 C ASP A 47 -24.242 17.999 12.822 1.00 15.46 C ATOM 464 O ASP A 47 -23.452 17.164 13.276 1.00 19.34 O ATOM 465 CB ASP A 47 -24.844 19.019 15.042 1.00 28.07 C ATOM 466 CG ASP A 47 -24.328 20.111 15.998 1.00 37.50 C ATOM 467 OD1 ASP A 47 -23.520 20.971 15.578 1.00 38.62 O ATOM 468 OD2 ASP A 47 -24.716 20.092 17.184 1.00 43.73 O ATOM 469 H ASP A 47 -26.509 19.942 13.135 1.00 0.00 H ATOM 470 N HIS A 48 -24.838 17.835 11.645 1.00 14.76 N ATOM 471 CA HIS A 48 -24.523 16.731 10.746 1.00 14.00 C ATOM 472 C HIS A 48 -23.318 17.094 9.877 1.00 14.20 C ATOM 473 O HIS A 48 -23.390 18.032 9.080 1.00 15.57 O ATOM 474 CB HIS A 48 -25.728 16.450 9.860 1.00 14.96 C ATOM 475 CG HIS A 48 -25.553 15.317 8.913 1.00 17.14 C ATOM 476 ND1 HIS A 48 -26.325 15.189 7.782 1.00 16.13 N ATOM 477 CD2 HIS A 48 -24.706 14.259 8.914 1.00 17.72 C ATOM 478 CE1 HIS A 48 -25.964 14.104 7.124 1.00 16.37 C ATOM 479 NE2 HIS A 48 -24.983 13.519 7.792 1.00 15.95 N ATOM 480 H HIS A 48 -25.560 18.524 11.353 1.00 0.00 H ATOM 481 N MET A 49 -22.218 16.358 10.012 1.00 12.99 N ATOM 482 CA MET A 49 -21.011 16.649 9.252 1.00 13.19 C ATOM 483 C MET A 49 -20.658 15.475 8.359 1.00 12.82 C ATOM 484 O MET A 49 -20.692 14.321 8.801 1.00 12.69 O ATOM 485 CB MET A 49 -19.845 16.961 10.183 1.00 15.60 C ATOM 486 CG MET A 49 -18.726 17.710 9.484 1.00 18.33 C ATOM 487 SD MET A 49 -17.541 18.464 10.612 1.00 27.68 S ATOM 488 CE MET A 49 -18.618 19.551 11.557 1.00 17.46 C ATOM 489 H MET A 49 -22.220 15.557 10.675 1.00 0.00 H ATOM 490 N ILE A 50 -20.345 15.768 7.102 1.00 12.83 N ATOM 491 CA ILE A 50 -19.825 14.790 6.156 1.00 12.69 C ATOM 492 C ILE A 50 -18.442 15.277 5.764 1.00 12.73 C ATOM 493 O ILE A 50 -18.297 16.419 5.324 1.00 12.87 O ATOM 494 CB ILE A 50 -20.726 14.633 4.927 1.00 16.72 C ATOM 495 CG1 ILE A 50 -22.080 14.127 5.407 1.00 18.59 C ATOM 496 CG2 ILE A 50 -20.113 13.670 3.944 1.00 15.40 C ATOM 497 CD1 ILE A 50 -23.219 14.281 4.386 1.00 27.69 C ATOM 498 H ILE A 50 -20.478 16.747 6.776 1.00 0.00 H ATOM 499 N ILE A 51 -17.428 14.442 5.969 1.00 12.62 N ATOM 500 CA ILE A 51 -16.056 14.761 5.574 1.00 12.65 C ATOM 501 C ILE A 51 -15.613 13.691 4.602 1.00 12.52 C ATOM 502 O ILE A 51 -15.425 12.534 5.002 1.00 12.38 O ATOM 503 CB ILE A 51 -15.092 14.818 6.764 1.00 12.66 C ATOM 504 CG1 ILE A 51 -15.539 15.833 7.816 1.00 12.80 C ATOM 505 CG2 ILE A 51 -13.689 15.152 6.242 1.00 12.70 C ATOM 506 CD1 ILE A 51 -14.761 15.776 9.126 1.00 13.23 C ATOM 507 H ILE A 51 -17.617 13.528 6.427 1.00 0.00 H ATOM 508 N ARG A 52 -15.444 14.059 3.330 1.00 12.56 N ATOM 509 CA ARG A 52 -14.989 13.125 2.304 1.00 12.48 C ATOM 510 C ARG A 52 -13.518 13.391 2.016 1.00 12.50 C ATOM 511 O ARG A 52 -13.166 14.472 1.529 1.00 12.63 O ATOM 512 CB ARG A 52 -15.826 13.249 1.024 1.00 14.93 C ATOM 513 CG ARG A 52 -17.339 13.073 1.196 1.00 13.96 C ATOM 514 CD ARG A 52 -18.073 13.358 -0.123 1.00 19.56 C ATOM 515 NE ARG A 52 -17.765 12.393 -1.180 1.00 24.59 N ATOM 516 CZ ARG A 52 -17.613 12.695 -2.470 1.00 36.40 C ATOM 517 NH1 ARG A 52 -17.714 13.951 -2.903 1.00 39.16 N ATOM 518 NH2 ARG A 52 -17.339 11.729 -3.336 1.00 39.05 N ATOM 519 HE ARG A 52 -17.656 11.396 -0.904 1.00 0.00 H ATOM 520 HH12 ARG A 52 -17.592 14.164 -3.914 1.00 0.00 H ATOM 521 HH11 ARG A 52 -17.915 14.718 -2.230 1.00 0.00 H ATOM 522 HH22 ARG A 52 -17.218 11.953 -4.344 1.00 0.00 H ATOM 523 HH21 ARG A 52 -17.245 10.747 -3.007 1.00 0.00 H ATOM 524 H ARG A 52 -15.643 15.044 3.061 1.00 0.00 H ATOM 525 N THR A 53 -12.665 12.410 2.287 1.00 12.38 N ATOM 526 CA THR A 53 -11.245 12.526 1.977 1.00 12.40 C ATOM 527 C THR A 53 -11.016 11.750 0.682 1.00 16.27 C ATOM 528 O THR A 53 -11.239 10.535 0.644 1.00 12.70 O ATOM 529 CB THR A 53 -10.398 11.995 3.134 1.00 12.33 C ATOM 530 OG1 THR A 53 -10.722 12.707 4.337 1.00 15.89 O ATOM 531 CG2 THR A 53 -8.925 12.225 2.860 1.00 17.08 C ATOM 532 HG1 THR A 53 -11.681 12.580 4.546 1.00 0.00 H ATOM 533 H THR A 53 -13.018 11.538 2.731 1.00 0.00 H ATOM 534 N LEU A 54 -10.630 12.461 -0.383 1.00 13.91 N ATOM 535 CA LEU A 54 -10.723 11.968 -1.760 1.00 14.53 C ATOM 536 C LEU A 54 -9.376 11.950 -2.452 1.00 13.77 C ATOM 537 O LEU A 54 -8.685 12.967 -2.487 1.00 14.89 O ATOM 538 CB LEU A 54 -11.658 12.861 -2.571 1.00 16.42 C ATOM 539 CG LEU A 54 -13.051 13.035 -1.981 1.00 17.68 C ATOM 540 CD1 LEU A 54 -13.833 14.165 -2.723 1.00 20.79 C ATOM 541 CD2 LEU A 54 -13.818 11.736 -1.997 1.00 17.90 C ATOM 542 H LEU A 54 -10.244 13.414 -0.226 1.00 0.00 H ATOM 543 N SER A 55 -9.026 10.813 -3.039 1.00 16.71 N ATOM 544 CA SER A 55 -7.846 10.709 -3.896 1.00 20.19 C ATOM 545 C SER A 55 -8.187 9.745 -5.030 1.00 19.96 C ATOM 546 O SER A 55 -9.192 9.043 -4.990 1.00 18.34 O ATOM 547 CB SER A 55 -6.596 10.275 -3.116 1.00 18.69 C ATOM 548 OG SER A 55 -6.530 8.877 -2.935 1.00 21.37 O ATOM 549 HG SER A 55 -7.326 8.573 -2.430 1.00 0.00 H ATOM 550 H SER A 55 -9.611 9.967 -2.884 1.00 0.00 H ATOM 551 N THR A 56 -7.342 9.727 -6.063 1.00 19.64 N ATOM 552 CA THR A 56 -7.699 9.036 -7.306 1.00 23.46 C ATOM 553 C THR A 56 -8.158 7.602 -7.053 1.00 18.17 C ATOM 554 O THR A 56 -9.186 7.169 -7.583 1.00 24.95 O ATOM 555 CB THR A 56 -6.510 9.049 -8.276 1.00 30.37 C ATOM 556 OG1 THR A 56 -6.249 10.396 -8.674 1.00 32.54 O ATOM 557 CG2 THR A 56 -6.796 8.209 -9.525 1.00 33.10 C ATOM 558 HG1 THR A 56 -6.034 10.939 -7.875 1.00 0.00 H ATOM 559 H THR A 56 -6.423 10.207 -5.986 1.00 0.00 H ATOM 560 N PHE A 57 -7.401 6.857 -6.249 1.00 19.90 N ATOM 561 CA PHE A 57 -7.614 5.428 -6.097 1.00 18.79 C ATOM 562 C PHE A 57 -8.096 5.030 -4.708 1.00 21.40 C ATOM 563 O PHE A 57 -8.457 3.861 -4.509 1.00 21.03 O ATOM 564 CB PHE A 57 -6.320 4.666 -6.412 1.00 19.65 C ATOM 565 CG PHE A 57 -5.743 4.985 -7.769 1.00 19.60 C ATOM 566 CD1 PHE A 57 -6.331 4.504 -8.924 1.00 27.84 C ATOM 567 CD2 PHE A 57 -4.610 5.774 -7.880 1.00 23.58 C ATOM 568 CE1 PHE A 57 -5.801 4.808 -10.169 1.00 31.84 C ATOM 569 CE2 PHE A 57 -4.076 6.077 -9.121 1.00 28.02 C ATOM 570 CZ PHE A 57 -4.669 5.596 -10.260 1.00 28.76 C ATOM 571 H PHE A 57 -6.634 7.312 -5.714 1.00 0.00 H ATOM 572 N ARG A 58 -8.115 5.959 -3.749 1.00 17.78 N ATOM 573 CA ARG A 58 -8.470 5.663 -2.366 1.00 16.02 C ATOM 574 C ARG A 58 -9.226 6.831 -1.752 1.00 15.16 C ATOM 575 O ARG A 58 -8.775 7.978 -1.836 1.00 16.05 O ATOM 576 CB ARG A 58 -7.230 5.383 -1.515 1.00 19.82 C ATOM 577 CG ARG A 58 -6.389 4.157 -1.942 1.00 18.76 C ATOM 578 CD ARG A 58 -5.224 3.951 -1.014 1.00 20.62 C ATOM 579 NE ARG A 58 -4.770 2.558 -0.998 1.00 22.30 N ATOM 580 CZ ARG A 58 -3.782 2.075 -1.759 1.00 22.00 C ATOM 581 NH1 ARG A 58 -3.445 0.794 -1.653 1.00 20.99 N ATOM 582 NH2 ARG A 58 -3.163 2.839 -2.652 1.00 20.66 N ATOM 583 HE ARG A 58 -5.249 1.900 -0.351 1.00 0.00 H ATOM 584 HH12 ARG A 58 -2.678 0.408 -2.240 1.00 0.00 H ATOM 585 HH11 ARG A 58 -3.948 0.178 -0.983 1.00 0.00 H ATOM 586 HH22 ARG A 58 -2.397 2.443 -3.233 1.00 0.00 H ATOM 587 HH21 ARG A 58 -3.444 3.833 -2.770 1.00 0.00 H ATOM 588 H ARG A 58 -7.866 6.937 -4.000 1.00 0.00 H ATOM 589 N ASN A 59 -10.333 6.529 -1.089 1.00 12.50 N ATOM 590 CA ASN A 59 -11.177 7.505 -0.421 1.00 11.90 C ATOM 591 C ASN A 59 -11.458 7.004 0.990 1.00 16.23 C ATOM 592 O ASN A 59 -11.424 5.803 1.259 1.00 15.97 O ATOM 593 CB ASN A 59 -12.528 7.699 -1.118 1.00 15.78 C ATOM 594 CG ASN A 59 -12.419 8.170 -2.557 1.00 21.74 C ATOM 595 OD1 ASN A 59 -11.549 8.937 -2.927 1.00 19.40 O ATOM 596 ND2 ASN A 59 -13.386 7.758 -3.368 1.00 37.71 N ATOM 597 HD22 ASN A 59 -14.114 7.102 -3.019 1.00 0.00 H ATOM 598 HD21 ASN A 59 -13.416 8.091 -4.353 1.00 0.00 H ATOM 599 H ASN A 59 -10.616 5.529 -1.044 1.00 0.00 H ATOM 600 N TYR A 60 -11.754 7.932 1.896 1.00 13.78 N ATOM 601 CA TYR A 60 -12.257 7.603 3.224 1.00 11.85 C ATOM 602 C TYR A 60 -13.340 8.611 3.581 1.00 14.27 C ATOM 603 O TYR A 60 -13.103 9.818 3.534 1.00 14.33 O ATOM 604 CB TYR A 60 -11.149 7.594 4.298 1.00 13.64 C ATOM 605 CG TYR A 60 -11.697 7.259 5.649 1.00 14.67 C ATOM 606 CD1 TYR A 60 -12.217 6.010 5.898 1.00 18.05 C ATOM 607 CD2 TYR A 60 -11.714 8.187 6.673 1.00 13.22 C ATOM 608 CE1 TYR A 60 -12.779 5.695 7.125 1.00 16.47 C ATOM 609 CE2 TYR A 60 -12.267 7.881 7.912 1.00 14.51 C ATOM 610 CZ TYR A 60 -12.793 6.625 8.123 1.00 15.47 C ATOM 611 OH TYR A 60 -13.357 6.311 9.343 1.00 18.21 O ATOM 612 HH TYR A 60 -14.115 6.922 9.522 1.00 0.00 H ATOM 613 H TYR A 60 -11.621 8.933 1.647 1.00 0.00 H ATOM 614 N ILE A 61 -14.526 8.129 3.938 1.00 12.74 N ATOM 615 CA ILE A 61 -15.692 8.975 4.152 1.00 12.50 C ATOM 616 C ILE A 61 -16.113 8.899 5.617 1.00 15.32 C ATOM 617 O ILE A 61 -16.275 7.800 6.160 1.00 15.85 O ATOM 618 CB ILE A 61 -16.856 8.517 3.259 1.00 13.04 C ATOM 619 CG1 ILE A 61 -16.403 8.317 1.809 1.00 19.73 C ATOM 620 CG2 ILE A 61 -18.017 9.461 3.389 1.00 17.01 C ATOM 621 CD1 ILE A 61 -15.706 9.544 1.164 1.00 23.77 C ATOM 622 H ILE A 61 -14.626 7.102 4.070 1.00 0.00 H ATOM 623 N MET A 62 -16.299 10.048 6.250 1.00 12.22 N ATOM 624 CA MET A 62 -16.898 10.161 7.574 1.00 12.16 C ATOM 625 C MET A 62 -18.249 10.839 7.443 1.00 16.75 C ATOM 626 O MET A 62 -18.402 11.786 6.668 1.00 14.72 O ATOM 627 CB MET A 62 -16.035 10.986 8.541 1.00 12.78 C ATOM 628 CG MET A 62 -14.744 10.343 8.868 1.00 16.41 C ATOM 629 SD MET A 62 -13.980 11.307 10.188 1.00 19.43 S ATOM 630 CE MET A 62 -14.908 10.751 11.612 1.00 24.52 C ATOM 631 H MET A 62 -15.999 10.922 5.773 1.00 0.00 H ATOM 632 N ASP A 63 -19.214 10.358 8.210 1.00 13.04 N ATOM 633 CA ASP A 63 -20.575 10.887 8.162 1.00 14.02 C ATOM 634 C ASP A 63 -21.152 10.699 9.560 1.00 15.26 C ATOM 635 O ASP A 63 -21.416 9.552 9.962 1.00 17.22 O ATOM 636 CB ASP A 63 -21.393 10.156 7.094 1.00 16.41 C ATOM 637 CG ASP A 63 -22.799 10.697 6.936 1.00 18.36 C ATOM 638 OD1 ASP A 63 -23.340 11.325 7.884 1.00 16.04 O ATOM 639 OD2 ASP A 63 -23.362 10.494 5.836 1.00 28.57 O ATOM 640 H ASP A 63 -18.997 9.581 8.866 1.00 0.00 H ATOM 641 N PHE A 64 -21.330 11.793 10.311 1.00 12.68 N ATOM 642 CA PHE A 64 -21.663 11.680 11.721 1.00 14.74 C ATOM 643 C PHE A 64 -22.405 12.916 12.207 1.00 15.32 C ATOM 644 O PHE A 64 -22.507 13.930 11.511 1.00 14.13 O ATOM 645 CB PHE A 64 -20.380 11.467 12.554 1.00 15.42 C ATOM 646 CG PHE A 64 -19.371 12.567 12.386 1.00 14.30 C ATOM 647 CD1 PHE A 64 -19.406 13.692 13.191 1.00 13.82 C ATOM 648 CD2 PHE A 64 -18.394 12.477 11.420 1.00 14.49 C ATOM 649 CE1 PHE A 64 -18.517 14.718 13.033 1.00 19.17 C ATOM 650 CE2 PHE A 64 -17.492 13.521 11.249 1.00 14.23 C ATOM 651 CZ PHE A 64 -17.556 14.642 12.055 1.00 14.39 C ATOM 652 H PHE A 64 -21.229 12.734 9.880 1.00 0.00 H ATOM 653 N GLN A 65 -22.910 12.825 13.435 1.00 13.55 N ATOM 654 CA GLN A 65 -23.564 13.934 14.117 1.00 12.92 C ATOM 655 C GLN A 65 -22.656 14.398 15.246 1.00 14.37 C ATOM 656 O GLN A 65 -22.270 13.593 16.100 1.00 16.75 O ATOM 657 CB GLN A 65 -24.929 13.519 14.677 1.00 12.94 C ATOM 658 CG GLN A 65 -25.704 14.655 15.345 1.00 13.12 C ATOM 659 CD GLN A 65 -26.428 15.496 14.329 1.00 19.12 C ATOM 660 OE1 GLN A 65 -26.441 15.168 13.158 1.00 18.86 O ATOM 661 NE2 GLN A 65 -27.031 16.593 14.771 1.00 23.18 N ATOM 662 HE22 GLN A 65 -26.994 16.835 15.782 1.00 0.00 H ATOM 663 HE21 GLN A 65 -27.540 17.210 14.107 1.00 0.00 H ATOM 664 H GLN A 65 -22.834 11.915 13.933 1.00 0.00 H ATOM 665 N VAL A 66 -22.314 15.685 15.249 1.00 15.36 N ATOM 666 CA VAL A 66 -21.489 16.208 16.325 1.00 14.12 C ATOM 667 C VAL A 66 -22.213 15.954 17.641 1.00 20.34 C ATOM 668 O VAL A 66 -23.430 16.175 17.766 1.00 21.18 O ATOM 669 CB VAL A 66 -21.180 17.701 16.124 1.00 14.87 C ATOM 670 CG1 VAL A 66 -20.354 18.208 17.277 1.00 24.26 C ATOM 671 CG2 VAL A 66 -20.412 17.904 14.824 1.00 17.54 C ATOM 672 H VAL A 66 -22.636 16.313 14.485 1.00 0.00 H ATOM 673 N GLY A 67 -21.468 15.442 18.616 1.00 17.86 N ATOM 674 CA GLY A 67 -21.962 15.180 19.945 1.00 18.60 C ATOM 675 C GLY A 67 -22.513 13.788 20.179 1.00 17.23 C ATOM 676 O GLY A 67 -22.805 13.450 21.334 1.00 28.62 O ATOM 677 H GLY A 67 -20.474 15.218 18.409 1.00 0.00 H ATOM 678 N LYS A 68 -22.652 12.953 19.143 1.00 16.55 N ATOM 679 CA LYS A 68 -23.276 11.642 19.272 1.00 18.37 C ATOM 680 C LYS A 68 -22.273 10.559 18.914 1.00 22.86 C ATOM 681 O LYS A 68 -21.786 10.507 17.780 1.00 19.39 O ATOM 682 CB LYS A 68 -24.512 11.500 18.393 1.00 24.59 C ATOM 683 CG LYS A 68 -25.583 12.539 18.688 1.00 28.04 C ATOM 684 CD LYS A 68 -26.954 12.022 18.308 1.00 35.97 C ATOM 685 CE LYS A 68 -28.063 12.990 18.728 1.00 37.76 C ATOM 686 NZ LYS A 68 -28.717 13.641 17.552 1.00 43.69 N ATOM 687 HZ1 LYS A 68 -28.006 14.176 17.014 1.00 0.00 H ATOM 688 HZ2 LYS A 68 -29.138 12.911 16.943 1.00 0.00 H ATOM 689 HZ3 LYS A 68 -29.461 14.287 17.884 1.00 0.00 H ATOM 690 H LYS A 68 -22.302 13.251 18.210 1.00 0.00 H ATOM 691 N GLU A 69 -22.020 9.674 19.864 1.00 16.58 N ATOM 692 CA GLU A 69 -21.110 8.563 19.624 1.00 15.72 C ATOM 693 C GLU A 69 -21.637 7.672 18.506 1.00 16.69 C ATOM 694 O GLU A 69 -22.845 7.405 18.401 1.00 17.18 O ATOM 695 CB GLU A 69 -20.933 7.747 20.903 1.00 18.39 C ATOM 696 CG GLU A 69 -19.851 6.669 20.796 1.00 17.51 C ATOM 697 CD GLU A 69 -19.594 5.969 22.122 1.00 24.51 C ATOM 698 OE1 GLU A 69 -20.440 5.136 22.514 1.00 26.86 O ATOM 699 OE2 GLU A 69 -18.553 6.257 22.774 1.00 23.32 O ATOM 700 H GLU A 69 -22.476 9.773 20.793 1.00 0.00 H ATOM 701 N PHE A 70 -20.719 7.209 17.662 1.00 16.24 N ATOM 702 CA PHE A 70 -21.038 6.322 16.558 1.00 13.37 C ATOM 703 C PHE A 70 -19.918 5.313 16.391 1.00 16.60 C ATOM 704 O PHE A 70 -18.786 5.528 16.848 1.00 16.46 O ATOM 705 CB PHE A 70 -21.254 7.100 15.233 1.00 15.76 C ATOM 706 CG PHE A 70 -20.038 7.865 14.757 1.00 13.86 C ATOM 707 CD1 PHE A 70 -19.684 9.090 15.333 1.00 15.63 C ATOM 708 CD2 PHE A 70 -19.262 7.377 13.707 1.00 17.28 C ATOM 709 CE1 PHE A 70 -18.559 9.787 14.891 1.00 14.93 C ATOM 710 CE2 PHE A 70 -18.150 8.090 13.256 1.00 16.06 C ATOM 711 CZ PHE A 70 -17.804 9.270 13.847 1.00 15.44 C ATOM 712 H PHE A 70 -19.729 7.495 17.799 1.00 0.00 H ATOM 713 N GLU A 71 -20.216 4.220 15.686 1.00 13.98 N ATOM 714 CA GLU A 71 -19.200 3.209 15.392 1.00 15.13 C ATOM 715 C GLU A 71 -18.509 3.548 14.073 1.00 17.77 C ATOM 716 O GLU A 71 -19.102 3.421 12.989 1.00 16.01 O ATOM 717 CB GLU A 71 -19.782 1.802 15.341 1.00 19.27 C ATOM 718 CG GLU A 71 -18.661 0.775 15.105 1.00 20.74 C ATOM 719 CD GLU A 71 -19.109 -0.664 15.206 1.00 22.22 C ATOM 720 OE1 GLU A 71 -20.170 -1.009 14.643 1.00 20.62 O ATOM 721 OE2 GLU A 71 -18.375 -1.456 15.842 1.00 19.46 O ATOM 722 H GLU A 71 -21.187 4.084 15.340 1.00 0.00 H ATOM 723 N GLU A 72 -17.248 3.962 14.175 1.00 17.22 N ATOM 724 CA GLU A 72 -16.452 4.410 13.043 1.00 15.26 C ATOM 725 C GLU A 72 -15.667 3.228 12.504 1.00 17.83 C ATOM 726 O GLU A 72 -14.875 2.618 13.234 1.00 19.33 O ATOM 727 CB GLU A 72 -15.510 5.534 13.444 1.00 11.90 C ATOM 728 CG GLU A 72 -14.770 6.101 12.238 1.00 12.79 C ATOM 729 CD GLU A 72 -13.691 7.115 12.583 1.00 15.56 C ATOM 730 OE1 GLU A 72 -13.381 7.307 13.778 1.00 15.59 O ATOM 731 OE2 GLU A 72 -13.123 7.711 11.637 1.00 16.04 O ATOM 732 H GLU A 72 -16.807 3.965 15.117 1.00 0.00 H ATOM 733 N ASP A 73 -15.853 2.938 11.222 1.00 15.20 N ATOM 734 CA ASP A 73 -15.216 1.808 10.552 1.00 16.00 C ATOM 735 C ASP A 73 -14.044 2.347 9.734 1.00 15.79 C ATOM 736 O ASP A 73 -14.237 2.925 8.659 1.00 16.77 O ATOM 737 CB ASP A 73 -16.242 1.084 9.683 1.00 19.00 C ATOM 738 CG ASP A 73 -15.644 -0.045 8.877 1.00 18.96 C ATOM 739 OD1 ASP A 73 -14.499 -0.439 9.146 1.00 25.81 O ATOM 740 OD2 ASP A 73 -16.335 -0.547 7.964 1.00 29.18 O ATOM 741 H ASP A 73 -16.486 3.548 10.666 1.00 0.00 H ATOM 742 N LEU A 74 -12.826 2.166 10.242 1.00 14.00 N ATOM 743 CA LEU A 74 -11.642 2.757 9.618 1.00 13.71 C ATOM 744 C LEU A 74 -11.069 1.865 8.522 1.00 17.34 C ATOM 745 O LEU A 74 -9.868 1.642 8.388 1.00 16.55 O ATOM 746 CB LEU A 74 -10.607 3.061 10.694 1.00 16.96 C ATOM 747 CG LEU A 74 -11.132 4.280 11.463 1.00 17.95 C ATOM 748 CD1 LEU A 74 -11.122 4.033 12.958 1.00 23.23 C ATOM 749 CD2 LEU A 74 -10.339 5.520 11.095 1.00 15.45 C ATOM 750 H LEU A 74 -12.714 1.592 11.102 1.00 0.00 H ATOM 751 N THR A 75 -11.978 1.363 7.696 1.00 22.01 N ATOM 752 CA THR A 75 -11.635 0.454 6.616 1.00 17.14 C ATOM 753 C THR A 75 -10.766 1.146 5.576 1.00 18.19 C ATOM 754 O THR A 75 -11.144 2.183 5.014 1.00 22.81 O ATOM 755 CB THR A 75 -12.919 -0.053 5.978 1.00 22.97 C ATOM 756 OG1 THR A 75 -13.799 -0.485 7.015 1.00 33.70 O ATOM 757 CG2 THR A 75 -12.623 -1.228 5.063 1.00 21.05 C ATOM 758 HG1 THR A 75 -13.997 0.276 7.616 1.00 0.00 H ATOM 759 H THR A 75 -12.974 1.631 7.827 1.00 0.00 H ATOM 760 N GLY A 76 -9.611 0.571 5.313 1.00 17.85 N ATOM 761 CA GLY A 76 -8.692 1.138 4.361 1.00 21.70 C ATOM 762 C GLY A 76 -7.649 2.013 4.991 1.00 27.82 C ATOM 763 O GLY A 76 -6.707 2.426 4.301 1.00 22.62 O ATOM 764 H GLY A 76 -9.358 -0.311 5.803 1.00 0.00 H ATOM 765 N ILE A 77 -7.799 2.323 6.276 1.00 21.34 N ATOM 766 CA ILE A 77 -6.743 2.996 7.016 1.00 19.51 C ATOM 767 C ILE A 77 -5.997 1.917 7.793 1.00 20.44 C ATOM 768 O ILE A 77 -5.068 1.293 7.262 1.00 24.72 O ATOM 769 CB ILE A 77 -7.302 4.090 7.936 1.00 19.20 C ATOM 770 CG1 ILE A 77 -8.279 5.002 7.173 1.00 27.68 C ATOM 771 CG2 ILE A 77 -6.157 4.883 8.561 1.00 21.52 C ATOM 772 CD1 ILE A 77 -7.713 5.622 5.942 1.00 25.27 C ATOM 773 H ILE A 77 -8.687 2.080 6.760 1.00 0.00 H ATOM 774 N ASP A 78 -6.419 1.644 9.028 1.00 20.20 N ATOM 775 CA ASP A 78 -5.871 0.541 9.804 1.00 16.72 C ATOM 776 C ASP A 78 -6.886 -0.581 10.020 1.00 22.57 C ATOM 777 O ASP A 78 -6.565 -1.561 10.694 1.00 20.78 O ATOM 778 CB ASP A 78 -5.331 1.057 11.148 1.00 18.92 C ATOM 779 CG ASP A 78 -6.429 1.489 12.106 1.00 20.13 C ATOM 780 OD1 ASP A 78 -7.493 1.917 11.631 1.00 19.85 O ATOM 781 OD2 ASP A 78 -6.216 1.387 13.332 1.00 17.64 O ATOM 782 H ASP A 78 -7.162 2.237 9.450 1.00 0.00 H ATOM 783 N ASP A 79 -8.088 -0.470 9.442 1.00 17.38 N ATOM 784 CA ASP A 79 -9.090 -1.544 9.436 1.00 19.19 C ATOM 785 C ASP A 79 -9.545 -1.918 10.835 1.00 24.10 C ATOM 786 O ASP A 79 -9.990 -3.043 11.078 1.00 27.19 O ATOM 787 CB ASP A 79 -8.561 -2.777 8.713 1.00 22.32 C ATOM 788 CG ASP A 79 -8.153 -2.457 7.313 1.00 32.24 C ATOM 789 OD1 ASP A 79 -8.959 -1.809 6.628 1.00 27.35 O ATOM 790 OD2 ASP A 79 -7.019 -2.798 6.920 1.00 36.96 O ATOM 791 H ASP A 79 -8.326 0.426 8.971 1.00 0.00 H ATOM 792 N ARG A 80 -9.487 -0.968 11.748 1.00 19.58 N ATOM 793 CA ARG A 80 -10.066 -1.141 13.063 1.00 18.28 C ATOM 794 C ARG A 80 -11.433 -0.485 13.100 1.00 18.17 C ATOM 795 O ARG A 80 -11.825 0.261 12.201 1.00 19.34 O ATOM 796 CB ARG A 80 -9.158 -0.536 14.136 1.00 21.21 C ATOM 797 CG ARG A 80 -7.863 -1.319 14.343 1.00 17.67 C ATOM 798 CD ARG A 80 -7.089 -0.837 15.550 1.00 18.02 C ATOM 799 NE ARG A 80 -5.909 -1.687 15.786 1.00 23.89 N ATOM 800 CZ ARG A 80 -4.698 -1.462 15.290 1.00 23.55 C ATOM 801 NH1 ARG A 80 -4.441 -0.400 14.530 1.00 18.58 N ATOM 802 NH2 ARG A 80 -3.720 -2.310 15.570 1.00 22.41 N ATOM 803 HE ARG A 80 -6.034 -2.527 16.387 1.00 0.00 H ATOM 804 HH12 ARG A 80 -3.483 -0.249 14.155 1.00 0.00 H ATOM 805 HH11 ARG A 80 -5.198 0.278 14.311 1.00 0.00 H ATOM 806 HH22 ARG A 80 -2.766 -2.148 15.189 1.00 0.00 H ATOM 807 HH21 ARG A 80 -3.906 -3.138 16.171 1.00 0.00 H ATOM 808 H ARG A 80 -9.013 -0.072 11.517 1.00 0.00 H ATOM 809 N LYS A 81 -12.163 -0.788 14.158 1.00 17.43 N ATOM 810 CA LYS A 81 -13.423 -0.130 14.462 1.00 14.40 C ATOM 811 C LYS A 81 -13.326 0.534 15.823 1.00 17.04 C ATOM 812 O LYS A 81 -12.790 -0.043 16.782 1.00 16.88 O ATOM 813 CB LYS A 81 -14.590 -1.118 14.411 1.00 19.78 C ATOM 814 CG LYS A 81 -14.925 -1.610 12.994 1.00 34.88 C ATOM 815 CD LYS A 81 -16.230 -2.429 13.000 1.00 35.84 C ATOM 816 CE LYS A 81 -16.695 -2.853 11.596 1.00 45.89 C ATOM 817 NZ LYS A 81 -17.986 -3.635 11.595 1.00 40.19 N ATOM 818 HZ1 LYS A 81 -17.865 -4.502 12.157 1.00 0.00 H ATOM 819 HZ2 LYS A 81 -18.742 -3.054 12.010 1.00 0.00 H ATOM 820 HZ3 LYS A 81 -18.237 -3.886 10.617 1.00 0.00 H ATOM 821 H LYS A 81 -11.821 -1.530 14.802 1.00 0.00 H ATOM 822 N CYS A 82 -13.824 1.762 15.893 1.00 15.57 N ATOM 823 CA CYS A 82 -13.773 2.569 17.087 1.00 15.17 C ATOM 824 C CYS A 82 -15.174 3.047 17.424 1.00 14.50 C ATOM 825 O CYS A 82 -16.040 3.128 16.555 1.00 16.63 O ATOM 826 CB CYS A 82 -12.877 3.772 16.880 1.00 11.94 C ATOM 827 SG CYS A 82 -11.123 3.339 16.717 1.00 17.05 S ATOM 828 H CYS A 82 -14.273 2.162 15.045 1.00 0.00 H ATOM 829 N MET A 83 -15.374 3.369 18.686 1.00 13.64 N ATOM 830 CA MET A 83 -16.562 4.089 19.114 1.00 17.57 C ATOM 831 C MET A 83 -16.128 5.539 19.207 1.00 13.41 C ATOM 832 O MET A 83 -15.373 5.915 20.106 1.00 14.15 O ATOM 833 CB MET A 83 -17.118 3.564 20.437 1.00 15.94 C ATOM 834 CG MET A 83 -17.508 2.091 20.412 1.00 20.83 C ATOM 835 SD MET A 83 -18.680 1.672 19.104 1.00 20.44 S ATOM 836 CE MET A 83 -20.160 2.563 19.573 1.00 23.45 C ATOM 837 H MET A 83 -14.662 3.101 19.395 1.00 0.00 H ATOM 838 N THR A 84 -16.567 6.343 18.241 1.00 13.56 N ATOM 839 CA THR A 84 -16.018 7.673 18.028 1.00 12.93 C ATOM 840 C THR A 84 -17.033 8.743 18.397 1.00 17.64 C ATOM 841 O THR A 84 -18.222 8.612 18.090 1.00 16.38 O ATOM 842 CB THR A 84 -15.607 7.812 16.571 1.00 14.10 C ATOM 843 OG1 THR A 84 -14.548 6.879 16.307 1.00 13.15 O ATOM 844 CG2 THR A 84 -15.102 9.206 16.266 1.00 14.74 C ATOM 845 HG1 THR A 84 -14.269 6.958 15.360 1.00 0.00 H ATOM 846 H THR A 84 -17.329 6.009 17.617 1.00 0.00 H ATOM 847 N THR A 85 -16.561 9.791 19.066 1.00 13.83 N ATOM 848 CA THR A 85 -17.370 10.974 19.325 1.00 12.86 C ATOM 849 C THR A 85 -16.593 12.196 18.869 1.00 16.10 C ATOM 850 O THR A 85 -15.425 12.386 19.238 1.00 15.02 O ATOM 851 CB THR A 85 -17.744 11.100 20.807 1.00 16.63 C ATOM 852 OG1 THR A 85 -18.310 9.862 21.244 1.00 19.44 O ATOM 853 CG2 THR A 85 -18.758 12.207 21.009 1.00 17.68 C ATOM 854 HG1 THR A 85 -18.555 9.932 22.201 1.00 0.00 H ATOM 855 H THR A 85 -15.582 9.765 19.416 1.00 0.00 H ATOM 856 N VAL A 86 -17.258 13.005 18.055 1.00 16.99 N ATOM 857 CA VAL A 86 -16.748 14.290 17.597 1.00 13.08 C ATOM 858 C VAL A 86 -17.578 15.355 18.294 1.00 18.24 C ATOM 859 O VAL A 86 -18.809 15.322 18.223 1.00 16.67 O ATOM 860 CB VAL A 86 -16.840 14.409 16.071 1.00 13.05 C ATOM 861 CG1 VAL A 86 -16.191 15.698 15.628 1.00 17.11 C ATOM 862 CG2 VAL A 86 -16.180 13.224 15.404 1.00 14.87 C ATOM 863 H VAL A 86 -18.197 12.705 17.725 1.00 0.00 H ATOM 864 N SER A 87 -16.917 16.271 18.995 1.00 15.01 N ATOM 865 CA SER A 87 -17.582 17.266 19.825 1.00 15.51 C ATOM 866 C SER A 87 -16.984 18.642 19.577 1.00 17.95 C ATOM 867 O SER A 87 -15.801 18.769 19.245 1.00 18.23 O ATOM 868 CB SER A 87 -17.445 16.949 21.320 1.00 18.29 C ATOM 869 OG SER A 87 -17.778 15.593 21.613 1.00 19.78 O ATOM 870 HG SER A 87 -17.173 14.990 21.112 1.00 0.00 H ATOM 871 H SER A 87 -15.878 16.277 18.949 1.00 0.00 H ATOM 872 N TRP A 88 -17.803 19.674 19.784 1.00 16.65 N ATOM 873 CA TRP A 88 -17.329 21.046 19.718 1.00 17.34 C ATOM 874 C TRP A 88 -16.567 21.375 20.990 1.00 20.28 C ATOM 875 O TRP A 88 -16.983 21.008 22.099 1.00 24.23 O ATOM 876 CB TRP A 88 -18.486 22.046 19.565 1.00 16.52 C ATOM 877 CG TRP A 88 -19.182 21.975 18.275 1.00 19.42 C ATOM 878 CD1 TRP A 88 -20.445 21.531 18.061 1.00 20.94 C ATOM 879 CD2 TRP A 88 -18.665 22.364 17.004 1.00 18.69 C ATOM 880 NE1 TRP A 88 -20.745 21.599 16.726 1.00 27.47 N ATOM 881 CE2 TRP A 88 -19.671 22.111 16.054 1.00 21.82 C ATOM 882 CE3 TRP A 88 -17.442 22.895 16.576 1.00 21.57 C ATOM 883 CZ2 TRP A 88 -19.507 22.377 14.709 1.00 27.63 C ATOM 884 CZ3 TRP A 88 -17.280 23.172 15.227 1.00 27.34 C ATOM 885 CH2 TRP A 88 -18.308 22.900 14.311 1.00 25.22 C ATOM 886 HE1 TRP A 88 -21.645 21.308 16.294 1.00 0.00 H ATOM 887 H TRP A 88 -18.804 19.493 19.998 1.00 0.00 H ATOM 888 N ASP A 89 -15.439 22.056 20.821 1.00 18.73 N ATOM 889 CA ASP A 89 -14.625 22.595 21.910 1.00 23.98 C ATOM 890 C ASP A 89 -14.350 24.040 21.501 1.00 24.83 C ATOM 891 O ASP A 89 -13.338 24.320 20.854 1.00 21.72 O ATOM 892 CB ASP A 89 -13.348 21.763 22.091 1.00 23.09 C ATOM 893 CG ASP A 89 -12.367 22.366 23.077 1.00 30.63 C ATOM 894 OD1 ASP A 89 -12.764 23.220 23.896 1.00 37.03 O ATOM 895 OD2 ASP A 89 -11.178 21.977 23.029 1.00 36.32 O ATOM 896 H ASP A 89 -15.112 22.217 19.847 1.00 0.00 H ATOM 897 N GLY A 90 -15.274 24.945 21.825 1.00 25.82 N ATOM 898 CA GLY A 90 -15.179 26.290 21.285 1.00 27.67 C ATOM 899 C GLY A 90 -15.342 26.222 19.783 1.00 23.82 C ATOM 900 O GLY A 90 -16.333 25.678 19.268 1.00 27.66 O ATOM 901 H GLY A 90 -16.057 24.690 22.460 1.00 0.00 H ATOM 902 N ASP A 91 -14.335 26.734 19.066 1.00 23.81 N ATOM 903 CA ASP A 91 -14.343 26.735 17.610 1.00 21.16 C ATOM 904 C ASP A 91 -13.510 25.605 17.033 1.00 27.50 C ATOM 905 O ASP A 91 -13.190 25.632 15.844 1.00 25.08 O ATOM 906 CB ASP A 91 -13.869 28.086 17.079 1.00 30.15 C ATOM 907 CG ASP A 91 -14.880 29.205 17.350 1.00 44.32 C ATOM 908 OD1 ASP A 91 -16.102 28.920 17.393 1.00 40.37 O ATOM 909 OD2 ASP A 91 -14.446 30.366 17.509 1.00 48.71 O ATOM 910 H ASP A 91 -13.520 27.145 19.565 1.00 0.00 H ATOM 911 N LYS A 92 -13.163 24.613 17.853 1.00 19.01 N ATOM 912 CA LYS A 92 -12.446 23.426 17.400 1.00 20.26 C ATOM 913 C LYS A 92 -13.364 22.211 17.464 1.00 19.43 C ATOM 914 O LYS A 92 -14.279 22.121 18.293 1.00 21.61 O ATOM 915 CB LYS A 92 -11.187 23.169 18.235 1.00 16.56 C ATOM 916 CG LYS A 92 -10.303 24.380 18.395 1.00 27.74 C ATOM 917 CD LYS A 92 -8.975 24.019 19.022 1.00 32.31 C ATOM 918 CE LYS A 92 -8.119 25.279 19.302 1.00 46.90 C ATOM 919 NZ LYS A 92 -7.788 26.103 18.088 1.00 48.28 N ATOM 920 HZ1 LYS A 92 -7.253 25.522 17.412 1.00 0.00 H ATOM 921 HZ2 LYS A 92 -8.669 26.432 17.643 1.00 0.00 H ATOM 922 HZ3 LYS A 92 -7.214 26.923 18.373 1.00 0.00 H ATOM 923 H LYS A 92 -13.414 24.689 18.859 1.00 0.00 H ATOM 924 N LEU A 93 -13.137 21.287 16.552 1.00 15.72 N ATOM 925 CA LEU A 93 -13.769 19.988 16.575 1.00 16.49 C ATOM 926 C LEU A 93 -12.802 18.990 17.204 1.00 16.23 C ATOM 927 O LEU A 93 -11.685 18.822 16.713 1.00 16.76 O ATOM 928 CB LEU A 93 -14.110 19.599 15.143 1.00 24.77 C ATOM 929 CG LEU A 93 -15.361 18.874 14.755 1.00 30.21 C ATOM 930 CD1 LEU A 93 -16.630 19.453 15.406 1.00 20.10 C ATOM 931 CD2 LEU A 93 -15.420 18.912 13.230 1.00 30.43 C ATOM 932 H LEU A 93 -12.473 21.503 15.781 1.00 0.00 H ATOM 933 N GLN A 94 -13.260 18.289 18.246 1.00 16.69 N ATOM 934 CA GLN A 94 -12.439 17.339 18.994 1.00 19.01 C ATOM 935 C GLN A 94 -12.987 15.940 18.776 1.00 17.31 C ATOM 936 O GLN A 94 -14.143 15.660 19.097 1.00 20.01 O ATOM 937 CB GLN A 94 -12.436 17.650 20.488 1.00 20.58 C ATOM 938 CG GLN A 94 -11.832 18.972 20.842 1.00 20.00 C ATOM 939 CD GLN A 94 -10.312 18.948 20.767 1.00 25.43 C ATOM 940 OE1 GLN A 94 -9.720 17.963 20.336 1.00 22.27 O ATOM 941 NE2 GLN A 94 -9.678 20.040 21.189 1.00 24.97 N ATOM 942 HE22 GLN A 94 -10.222 20.851 21.546 1.00 0.00 H ATOM 943 HE21 GLN A 94 -8.639 20.082 21.161 1.00 0.00 H ATOM 944 H GLN A 94 -14.249 18.426 18.539 1.00 0.00 H ATOM 945 N CYS A 95 -12.162 15.058 18.259 1.00 13.67 N ATOM 946 CA CYS A 95 -12.573 13.699 17.964 1.00 15.41 C ATOM 947 C CYS A 95 -11.827 12.749 18.882 1.00 15.93 C ATOM 948 O CYS A 95 -10.597 12.806 18.976 1.00 17.52 O ATOM 949 CB CYS A 95 -12.314 13.362 16.497 1.00 14.04 C ATOM 950 SG CYS A 95 -12.728 11.653 16.096 1.00 16.60 S ATOM 951 H CYS A 95 -11.183 15.343 18.055 1.00 0.00 H ATOM 952 N VAL A 96 -12.569 11.883 19.565 1.00 16.93 N ATOM 953 CA VAL A 96 -11.996 10.816 20.373 1.00 16.74 C ATOM 954 C VAL A 96 -12.451 9.508 19.757 1.00 14.86 C ATOM 955 O VAL A 96 -13.657 9.297 19.567 1.00 16.06 O ATOM 956 CB VAL A 96 -12.436 10.912 21.848 1.00 19.34 C ATOM 957 CG1 VAL A 96 -11.849 9.765 22.653 1.00 21.72 C ATOM 958 CG2 VAL A 96 -12.050 12.254 22.432 1.00 17.94 C ATOM 959 H VAL A 96 -13.604 11.972 19.520 1.00 0.00 H ATOM 960 N GLN A 97 -11.491 8.637 19.429 1.00 14.50 N ATOM 961 CA GLN A 97 -11.752 7.350 18.783 1.00 13.39 C ATOM 962 C GLN A 97 -11.446 6.246 19.793 1.00 17.34 C ATOM 963 O GLN A 97 -10.285 5.860 19.967 1.00 18.72 O ATOM 964 CB GLN A 97 -10.899 7.215 17.519 1.00 15.93 C ATOM 965 CG GLN A 97 -11.257 8.283 16.460 1.00 15.43 C ATOM 966 CD GLN A 97 -10.238 8.364 15.367 1.00 14.88 C ATOM 967 OE1 GLN A 97 -9.047 8.568 15.630 1.00 16.74 O ATOM 968 NE2 GLN A 97 -10.673 8.198 14.131 1.00 13.63 N ATOM 969 HE22 GLN A 97 -11.684 8.029 13.954 1.00 0.00 H ATOM 970 HE21 GLN A 97 -10.005 8.237 13.335 1.00 0.00 H ATOM 971 H GLN A 97 -10.505 8.888 19.645 1.00 0.00 H ATOM 972 N LYS A 98 -12.487 5.762 20.478 1.00 17.54 N ATOM 973 CA LYS A 98 -12.287 4.761 21.522 1.00 18.01 C ATOM 974 C LYS A 98 -12.138 3.376 20.909 1.00 19.46 C ATOM 975 O LYS A 98 -12.918 2.972 20.039 1.00 18.43 O ATOM 976 CB LYS A 98 -13.440 4.783 22.523 1.00 16.12 C ATOM 977 CG LYS A 98 -13.575 6.076 23.305 1.00 21.98 C ATOM 978 CD LYS A 98 -14.804 6.087 24.198 1.00 33.42 C ATOM 979 CE LYS A 98 -14.667 5.171 25.407 1.00 37.40 C ATOM 980 NZ LYS A 98 -15.890 5.255 26.289 1.00 40.25 N ATOM 981 HZ1 LYS A 98 -16.009 6.233 26.622 1.00 0.00 H ATOM 982 HZ2 LYS A 98 -16.729 4.968 25.745 1.00 0.00 H ATOM 983 HZ3 LYS A 98 -15.771 4.622 27.105 1.00 0.00 H ATOM 984 H LYS A 98 -13.447 6.101 20.266 1.00 0.00 H ATOM 985 N GLY A 99 -11.112 2.649 21.348 1.00 17.17 N ATOM 986 CA GLY A 99 -10.821 1.357 20.762 1.00 16.04 C ATOM 987 C GLY A 99 -9.546 0.729 21.307 1.00 16.65 C ATOM 988 O GLY A 99 -9.113 1.051 22.414 1.00 17.88 O ATOM 989 H GLY A 99 -10.515 3.012 22.118 1.00 0.00 H ATOM 990 N GLU A 100 -8.913 -0.128 20.513 1.00 17.39 N ATOM 991 CA GLU A 100 -7.778 -0.892 21.021 1.00 19.75 C ATOM 992 C GLU A 100 -6.578 0.002 21.334 1.00 20.26 C ATOM 993 O GLU A 100 -5.773 -0.327 22.220 1.00 20.69 O ATOM 994 CB GLU A 100 -7.387 -1.984 20.016 1.00 19.49 C ATOM 995 CG GLU A 100 -6.030 -2.622 20.331 1.00 23.06 C ATOM 996 CD GLU A 100 -5.673 -3.790 19.433 1.00 25.20 C ATOM 997 OE1 GLU A 100 -5.873 -3.691 18.209 1.00 27.31 O ATOM 998 OE2 GLU A 100 -5.170 -4.806 19.959 1.00 27.72 O ATOM 999 H GLU A 100 -9.226 -0.254 19.529 1.00 0.00 H ATOM 1000 N LYS A 101 -6.425 1.116 20.617 1.00 21.54 N ATOM 1001 CA LYS A 101 -5.294 2.022 20.797 1.00 19.70 C ATOM 1002 C LYS A 101 -5.595 3.155 21.773 1.00 19.45 C ATOM 1003 O LYS A 101 -6.661 3.774 21.715 1.00 22.84 O ATOM 1004 CB LYS A 101 -4.894 2.627 19.450 1.00 21.56 C ATOM 1005 CG LYS A 101 -4.440 1.633 18.414 1.00 20.92 C ATOM 1006 CD LYS A 101 -2.990 1.240 18.689 1.00 22.26 C ATOM 1007 CE LYS A 101 -2.538 0.141 17.800 1.00 31.69 C ATOM 1008 NZ LYS A 101 -1.175 -0.318 18.249 1.00 29.74 N ATOM 1009 HZ1 LYS A 101 -0.507 0.477 18.194 1.00 0.00 H ATOM 1010 HZ2 LYS A 101 -1.231 -0.658 19.230 1.00 0.00 H ATOM 1011 HZ3 LYS A 101 -0.849 -1.089 17.631 1.00 0.00 H ATOM 1012 H LYS A 101 -7.141 1.349 19.900 1.00 0.00 H ATOM 1013 N GLU A 102 -4.629 3.447 22.646 1.00 21.72 N ATOM 1014 CA GLU A 102 -4.756 4.533 23.609 1.00 19.90 C ATOM 1015 C GLU A 102 -4.575 5.891 22.939 1.00 20.87 C ATOM 1016 O GLU A 102 -3.770 6.045 22.017 1.00 18.59 O ATOM 1017 CB GLU A 102 -3.720 4.376 24.728 1.00 25.74 C ATOM 1018 CG GLU A 102 -3.499 5.631 25.597 1.00 30.43 C ATOM 1019 CD GLU A 102 -2.288 6.470 25.172 1.00 32.20 C ATOM 1020 OE1 GLU A 102 -1.218 5.883 24.904 1.00 43.30 O ATOM 1021 OE2 GLU A 102 -2.392 7.720 25.118 1.00 30.64 O ATOM 1022 H GLU A 102 -3.757 2.881 22.639 1.00 0.00 H ATOM 1023 N GLY A 103 -5.331 6.878 23.411 1.00 21.18 N ATOM 1024 CA GLY A 103 -5.101 8.251 22.989 1.00 20.45 C ATOM 1025 C GLY A 103 -5.314 8.506 21.511 1.00 18.22 C ATOM 1026 O GLY A 103 -4.654 9.378 20.935 1.00 19.48 O ATOM 1027 H GLY A 103 -6.093 6.667 24.087 1.00 0.00 H ATOM 1028 N ARG A 104 -6.236 7.796 20.889 1.00 17.70 N ATOM 1029 CA ARG A 104 -6.490 7.953 19.458 1.00 15.16 C ATOM 1030 C ARG A 104 -7.565 9.012 19.219 1.00 15.66 C ATOM 1031 O ARG A 104 -8.669 8.905 19.751 1.00 15.47 O ATOM 1032 CB ARG A 104 -6.928 6.619 18.878 1.00 13.65 C ATOM 1033 CG ARG A 104 -7.010 6.603 17.377 1.00 12.56 C ATOM 1034 CD ARG A 104 -7.559 5.324 16.835 1.00 16.10 C ATOM 1035 NE ARG A 104 -7.546 5.348 15.377 1.00 18.47 N ATOM 1036 CZ ARG A 104 -7.496 4.270 14.600 1.00 16.21 C ATOM 1037 NH1 ARG A 104 -7.500 3.039 15.114 1.00 18.36 N ATOM 1038 NH2 ARG A 104 -7.451 4.422 13.275 1.00 16.53 N ATOM 1039 HE ARG A 104 -7.578 6.277 14.910 1.00 0.00 H ATOM 1040 HH12 ARG A 104 -7.460 2.212 14.484 1.00 0.00 H ATOM 1041 HH11 ARG A 104 -7.543 2.906 16.145 1.00 0.00 H ATOM 1042 HH22 ARG A 104 -7.412 3.587 12.657 1.00 0.00 H ATOM 1043 HH21 ARG A 104 -7.455 5.376 12.861 1.00 0.00 H ATOM 1044 H ARG A 104 -6.796 7.107 21.431 1.00 0.00 H ATOM 1045 N GLY A 105 -7.242 10.041 18.445 1.00 14.05 N ATOM 1046 CA GLY A 105 -8.257 11.011 18.087 1.00 16.97 C ATOM 1047 C GLY A 105 -7.661 12.070 17.188 1.00 13.51 C ATOM 1048 O GLY A 105 -6.603 11.880 16.593 1.00 14.95 O ATOM 1049 H GLY A 105 -6.268 10.150 18.098 1.00 0.00 H ATOM 1050 N TRP A 106 -8.396 13.157 17.009 1.00 15.38 N ATOM 1051 CA TRP A 106 -7.875 14.246 16.199 1.00 14.12 C ATOM 1052 C TRP A 106 -8.595 15.524 16.585 1.00 13.21 C ATOM 1053 O TRP A 106 -9.600 15.507 17.298 1.00 13.73 O ATOM 1054 CB TRP A 106 -7.996 13.969 14.686 1.00 12.90 C ATOM 1055 CG TRP A 106 -9.354 13.493 14.117 1.00 12.79 C ATOM 1056 CD1 TRP A 106 -9.658 12.230 13.735 1.00 15.55 C ATOM 1057 CD2 TRP A 106 -10.521 14.288 13.824 1.00 15.20 C ATOM 1058 NE1 TRP A 106 -10.939 12.166 13.237 1.00 18.28 N ATOM 1059 CE2 TRP A 106 -11.492 13.418 13.297 1.00 15.99 C ATOM 1060 CE3 TRP A 106 -10.845 15.637 13.986 1.00 14.34 C ATOM 1061 CZ2 TRP A 106 -12.743 13.860 12.909 1.00 15.18 C ATOM 1062 CZ3 TRP A 106 -12.110 16.057 13.620 1.00 16.56 C ATOM 1063 CH2 TRP A 106 -13.022 15.181 13.086 1.00 13.46 C ATOM 1064 HE1 TRP A 106 -11.408 11.311 12.876 1.00 0.00 H ATOM 1065 H TRP A 106 -9.338 13.231 17.444 1.00 0.00 H ATOM 1066 N THR A 107 -8.029 16.647 16.147 1.00 13.34 N ATOM 1067 CA THR A 107 -8.579 17.983 16.377 1.00 13.52 C ATOM 1068 C THR A 107 -8.564 18.730 15.061 1.00 13.72 C ATOM 1069 O THR A 107 -7.537 18.747 14.379 1.00 13.90 O ATOM 1070 CB THR A 107 -7.732 18.767 17.416 1.00 14.72 C ATOM 1071 OG1 THR A 107 -7.588 17.983 18.608 1.00 17.90 O ATOM 1072 CG2 THR A 107 -8.368 20.145 17.761 1.00 17.17 C ATOM 1073 HG1 THR A 107 -8.483 17.794 18.987 1.00 0.00 H ATOM 1074 H THR A 107 -7.142 16.570 15.609 1.00 0.00 H ATOM 1075 N GLN A 108 -9.671 19.406 14.735 1.00 14.06 N ATOM 1076 CA GLN A 108 -9.788 20.125 13.474 1.00 13.62 C ATOM 1077 C GLN A 108 -10.249 21.545 13.740 1.00 13.83 C ATOM 1078 O GLN A 108 -11.122 21.764 14.580 1.00 14.31 O ATOM 1079 CB GLN A 108 -10.770 19.401 12.541 1.00 16.08 C ATOM 1080 CG GLN A 108 -10.807 19.946 11.138 1.00 13.47 C ATOM 1081 CD GLN A 108 -11.592 19.061 10.217 1.00 20.30 C ATOM 1082 OE1 GLN A 108 -11.050 18.128 9.641 1.00 18.54 O ATOM 1083 NE2 GLN A 108 -12.873 19.336 10.080 1.00 17.19 N ATOM 1084 HE22 GLN A 108 -13.290 20.141 10.591 1.00 0.00 H ATOM 1085 HE21 GLN A 108 -13.468 18.749 9.461 1.00 0.00 H ATOM 1086 H GLN A 108 -10.470 19.419 15.400 1.00 0.00 H ATOM 1087 N TRP A 109 -9.658 22.504 13.031 1.00 13.95 N ATOM 1088 CA TRP A 109 -10.011 23.901 13.215 1.00 14.17 C ATOM 1089 C TRP A 109 -9.637 24.667 11.950 1.00 14.84 C ATOM 1090 O TRP A 109 -9.043 24.116 11.016 1.00 14.98 O ATOM 1091 CB TRP A 109 -9.344 24.455 14.484 1.00 14.34 C ATOM 1092 CG TRP A 109 -7.830 24.629 14.444 1.00 14.40 C ATOM 1093 CD1 TRP A 109 -7.164 25.794 14.188 1.00 18.51 C ATOM 1094 CD2 TRP A 109 -6.799 23.628 14.694 1.00 15.32 C ATOM 1095 NE1 TRP A 109 -5.806 25.595 14.257 1.00 20.58 N ATOM 1096 CE2 TRP A 109 -5.553 24.286 14.567 1.00 18.98 C ATOM 1097 CE3 TRP A 109 -6.809 22.266 15.013 1.00 18.97 C ATOM 1098 CZ2 TRP A 109 -4.324 23.624 14.735 1.00 20.05 C ATOM 1099 CZ3 TRP A 109 -5.603 21.612 15.188 1.00 20.84 C ATOM 1100 CH2 TRP A 109 -4.369 22.293 15.044 1.00 18.14 C ATOM 1101 HE1 TRP A 109 -5.083 26.325 14.098 1.00 0.00 H ATOM 1102 H TRP A 109 -8.931 22.249 12.333 1.00 0.00 H ATOM 1103 N ILE A 110 -10.062 25.933 11.898 1.00 14.63 N ATOM 1104 CA ILE A 110 -9.799 26.809 10.757 1.00 14.91 C ATOM 1105 C ILE A 110 -8.969 28.004 11.223 1.00 16.58 C ATOM 1106 O ILE A 110 -9.217 28.557 12.298 1.00 18.08 O ATOM 1107 CB ILE A 110 -11.105 27.279 10.073 1.00 14.71 C ATOM 1108 CG1 ILE A 110 -11.721 26.099 9.309 1.00 18.60 C ATOM 1109 CG2 ILE A 110 -10.849 28.424 9.109 1.00 17.33 C ATOM 1110 CD1 ILE A 110 -13.098 26.355 8.751 1.00 20.00 C ATOM 1111 H ILE A 110 -10.602 26.311 12.702 1.00 0.00 H ATOM 1112 N GLU A 111 -7.948 28.353 10.431 1.00 16.29 N ATOM 1113 CA GLU A 111 -7.185 29.604 10.548 1.00 19.27 C ATOM 1114 C GLU A 111 -7.234 30.283 9.186 1.00 16.66 C ATOM 1115 O GLU A 111 -6.602 29.825 8.232 1.00 19.32 O ATOM 1116 CB GLU A 111 -5.735 29.354 10.976 1.00 20.82 C ATOM 1117 CG GLU A 111 -5.557 28.631 12.314 1.00 20.84 C ATOM 1118 CD GLU A 111 -4.093 28.464 12.729 1.00 27.69 C ATOM 1119 OE1 GLU A 111 -3.209 29.133 12.136 1.00 27.73 O ATOM 1120 OE2 GLU A 111 -3.829 27.652 13.646 1.00 24.66 O ATOM 1121 H GLU A 111 -7.674 27.690 9.677 1.00 0.00 H ATOM 1122 N GLY A 112 -7.990 31.360 9.071 1.00 17.29 N ATOM 1123 CA GLY A 112 -8.058 32.027 7.785 1.00 22.13 C ATOM 1124 C GLY A 112 -8.664 31.111 6.739 1.00 21.17 C ATOM 1125 O GLY A 112 -9.779 30.612 6.907 1.00 19.35 O ATOM 1126 H GLY A 112 -8.525 31.722 9.886 1.00 0.00 H ATOM 1127 N ASP A 113 -7.912 30.876 5.660 1.00 20.83 N ATOM 1128 CA ASP A 113 -8.315 29.981 4.582 1.00 23.73 C ATOM 1129 C ASP A 113 -7.683 28.594 4.722 1.00 18.98 C ATOM 1130 O ASP A 113 -7.684 27.815 3.757 1.00 17.60 O ATOM 1131 CB ASP A 113 -7.978 30.602 3.220 1.00 22.53 C ATOM 1132 CG ASP A 113 -6.490 30.639 2.917 1.00 24.17 C ATOM 1133 OD1 ASP A 113 -5.643 30.339 3.793 1.00 24.20 O ATOM 1134 OD2 ASP A 113 -6.167 30.981 1.763 1.00 29.79 O ATOM 1135 H ASP A 113 -6.992 31.356 5.585 1.00 0.00 H ATOM 1136 N GLU A 114 -7.183 28.267 5.912 1.00 15.58 N ATOM 1137 CA GLU A 114 -6.530 26.989 6.186 1.00 14.92 C ATOM 1138 C GLU A 114 -7.380 26.131 7.102 1.00 14.39 C ATOM 1139 O GLU A 114 -7.805 26.588 8.170 1.00 14.84 O ATOM 1140 CB GLU A 114 -5.171 27.193 6.859 1.00 14.63 C ATOM 1141 CG GLU A 114 -4.145 27.880 5.996 1.00 17.62 C ATOM 1142 CD GLU A 114 -2.895 28.288 6.758 1.00 28.37 C ATOM 1143 OE1 GLU A 114 -2.833 28.158 7.996 1.00 20.79 O ATOM 1144 OE2 GLU A 114 -1.964 28.771 6.097 1.00 27.16 O ATOM 1145 H GLU A 114 -7.261 28.957 6.686 1.00 0.00 H ATOM 1146 N LEU A 115 -7.553 24.872 6.712 1.00 14.17 N ATOM 1147 CA LEU A 115 -8.133 23.839 7.553 1.00 14.00 C ATOM 1148 C LEU A 115 -6.977 23.089 8.213 1.00 13.93 C ATOM 1149 O LEU A 115 -6.134 22.502 7.513 1.00 13.85 O ATOM 1150 CB LEU A 115 -8.988 22.893 6.706 1.00 13.83 C ATOM 1151 CG LEU A 115 -9.573 21.667 7.391 1.00 16.20 C ATOM 1152 CD1 LEU A 115 -10.725 22.124 8.221 1.00 23.81 C ATOM 1153 CD2 LEU A 115 -10.025 20.680 6.320 1.00 27.24 C ATOM 1154 H LEU A 115 -7.256 24.612 5.750 1.00 0.00 H ATOM 1155 N HIS A 116 -6.943 23.110 9.540 1.00 13.97 N ATOM 1156 CA HIS A 116 -5.895 22.462 10.327 1.00 13.92 C ATOM 1157 C HIS A 116 -6.419 21.184 10.938 1.00 13.74 C ATOM 1158 O HIS A 116 -7.529 21.162 11.476 1.00 13.73 O ATOM 1159 CB HIS A 116 -5.429 23.403 11.428 1.00 14.13 C ATOM 1160 CG HIS A 116 -4.599 24.513 10.913 1.00 14.31 C ATOM 1161 ND1 HIS A 116 -3.254 24.606 11.191 1.00 14.39 N ATOM 1162 CD2 HIS A 116 -4.893 25.554 10.097 1.00 16.79 C ATOM 1163 CE1 HIS A 116 -2.755 25.667 10.580 1.00 18.03 C ATOM 1164 NE2 HIS A 116 -3.725 26.253 9.905 1.00 16.80 N ATOM 1165 H HIS A 116 -7.700 23.613 10.045 1.00 0.00 H ATOM 1166 N LEU A 117 -5.624 20.122 10.857 1.00 13.60 N ATOM 1167 CA LEU A 117 -6.047 18.813 11.341 1.00 13.42 C ATOM 1168 C LEU A 117 -4.852 18.166 12.016 1.00 13.39 C ATOM 1169 O LEU A 117 -3.887 17.825 11.331 1.00 13.69 O ATOM 1170 CB LEU A 117 -6.553 17.945 10.187 1.00 13.24 C ATOM 1171 CG LEU A 117 -6.939 16.510 10.548 1.00 15.67 C ATOM 1172 CD1 LEU A 117 -8.124 16.531 11.522 1.00 14.46 C ATOM 1173 CD2 LEU A 117 -7.286 15.714 9.310 1.00 14.76 C ATOM 1174 H LEU A 117 -4.678 20.227 10.438 1.00 0.00 H ATOM 1175 N GLU A 118 -4.928 17.979 13.333 1.00 13.43 N ATOM 1176 CA GLU A 118 -3.907 17.265 14.086 1.00 13.95 C ATOM 1177 C GLU A 118 -4.483 15.930 14.519 1.00 13.41 C ATOM 1178 O GLU A 118 -5.536 15.895 15.155 1.00 15.65 O ATOM 1179 CB GLU A 118 -3.469 18.061 15.308 1.00 15.37 C ATOM 1180 CG GLU A 118 -2.378 17.369 16.115 1.00 20.66 C ATOM 1181 CD GLU A 118 -2.074 18.079 17.430 1.00 26.38 C ATOM 1182 OE1 GLU A 118 -1.254 19.023 17.423 1.00 28.83 O ATOM 1183 OE2 GLU A 118 -2.647 17.694 18.478 1.00 33.98 O ATOM 1184 H GLU A 118 -5.750 18.359 13.844 1.00 0.00 H ATOM 1185 N MET A 119 -3.809 14.840 14.177 1.00 13.08 N ATOM 1186 CA MET A 119 -4.257 13.509 14.552 1.00 14.73 C ATOM 1187 C MET A 119 -3.204 12.859 15.432 1.00 12.93 C ATOM 1188 O MET A 119 -2.007 13.114 15.282 1.00 15.76 O ATOM 1189 CB MET A 119 -4.556 12.650 13.329 1.00 19.62 C ATOM 1190 CG MET A 119 -3.393 12.425 12.403 1.00 18.46 C ATOM 1191 SD MET A 119 -3.990 11.830 10.782 1.00 23.87 S ATOM 1192 CE MET A 119 -4.570 13.388 10.119 1.00 25.24 C ATOM 1193 H MET A 119 -2.934 14.941 13.624 1.00 0.00 H ATOM 1194 N ARG A 120 -3.672 12.081 16.393 1.00 14.06 N ATOM 1195 CA ARG A 120 -2.847 11.554 17.466 1.00 13.99 C ATOM 1196 C ARG A 120 -3.218 10.103 17.722 1.00 13.73 C ATOM 1197 O ARG A 120 -4.389 9.725 17.624 1.00 14.01 O ATOM 1198 CB ARG A 120 -3.064 12.332 18.757 1.00 20.41 C ATOM 1199 CG ARG A 120 -2.860 13.820 18.658 1.00 25.87 C ATOM 1200 CD ARG A 120 -3.342 14.510 19.929 1.00 25.86 C ATOM 1201 NE ARG A 120 -4.782 14.445 20.036 1.00 30.73 N ATOM 1202 CZ ARG A 120 -5.609 15.359 19.551 1.00 25.23 C ATOM 1203 NH1 ARG A 120 -5.138 16.442 18.946 1.00 23.19 N ATOM 1204 NH2 ARG A 120 -6.921 15.185 19.699 1.00 25.18 N ATOM 1205 HE ARG A 120 -5.196 13.627 20.526 1.00 0.00 H ATOM 1206 HH12 ARG A 120 -5.795 17.154 18.568 1.00 0.00 H ATOM 1207 HH11 ARG A 120 -4.112 16.579 18.849 1.00 0.00 H ATOM 1208 HH22 ARG A 120 -7.585 15.893 19.324 1.00 0.00 H ATOM 1209 HH21 ARG A 120 -7.282 14.342 20.189 1.00 0.00 H ATOM 1210 H ARG A 120 -4.682 11.834 16.380 1.00 0.00 H ATOM 1211 N VAL A 121 -2.219 9.313 18.131 1.00 15.46 N ATOM 1212 CA VAL A 121 -2.464 7.997 18.716 1.00 15.90 C ATOM 1213 C VAL A 121 -1.211 7.606 19.489 1.00 18.34 C ATOM 1214 O VAL A 121 -0.094 7.769 18.986 1.00 18.51 O ATOM 1215 CB VAL A 121 -2.831 6.950 17.649 1.00 13.46 C ATOM 1216 CG1 VAL A 121 -1.650 6.751 16.678 1.00 16.19 C ATOM 1217 CG2 VAL A 121 -3.234 5.622 18.281 1.00 18.22 C ATOM 1218 H VAL A 121 -1.239 9.646 18.030 1.00 0.00 H ATOM 1219 N GLU A 122 -1.397 7.104 20.712 1.00 19.38 N ATOM 1220 CA GLU A 122 -0.285 6.645 21.553 1.00 20.83 C ATOM 1221 C GLU A 122 0.837 7.679 21.613 1.00 26.78 C ATOM 1222 O GLU A 122 2.025 7.347 21.576 1.00 30.72 O ATOM 1223 CB GLU A 122 0.232 5.289 21.075 1.00 27.25 C ATOM 1224 CG GLU A 122 -0.712 4.145 21.376 1.00 31.36 C ATOM 1225 CD GLU A 122 -0.191 2.806 20.926 1.00 37.16 C ATOM 1226 OE1 GLU A 122 0.777 2.768 20.134 1.00 41.82 O ATOM 1227 OE2 GLU A 122 -0.761 1.784 21.363 1.00 44.44 O ATOM 1228 H GLU A 122 -2.366 7.036 21.083 1.00 0.00 H ATOM 1229 N GLY A 123 0.457 8.946 21.732 1.00 21.81 N ATOM 1230 CA GLY A 123 1.433 10.014 21.867 1.00 23.47 C ATOM 1231 C GLY A 123 2.133 10.435 20.595 1.00 27.27 C ATOM 1232 O GLY A 123 2.956 11.356 20.644 1.00 27.21 O ATOM 1233 H GLY A 123 -0.557 9.178 21.729 1.00 0.00 H ATOM 1234 N VAL A 124 1.855 9.798 19.476 1.00 22.14 N ATOM 1235 CA VAL A 124 2.423 10.175 18.186 1.00 15.84 C ATOM 1236 C VAL A 124 1.471 11.138 17.487 1.00 17.85 C ATOM 1237 O VAL A 124 0.261 10.894 17.441 1.00 20.89 O ATOM 1238 CB VAL A 124 2.675 8.923 17.339 1.00 16.59 C ATOM 1239 CG1 VAL A 124 3.224 9.275 15.964 1.00 17.37 C ATOM 1240 CG2 VAL A 124 3.608 7.968 18.098 1.00 19.26 C ATOM 1241 H VAL A 124 1.201 8.990 19.514 1.00 0.00 H ATOM 1242 N VAL A 125 2.015 12.210 16.908 1.00 16.11 N ATOM 1243 CA VAL A 125 1.216 13.316 16.384 1.00 15.76 C ATOM 1244 C VAL A 125 1.557 13.555 14.920 1.00 16.19 C ATOM 1245 O VAL A 125 2.738 13.665 14.559 1.00 17.67 O ATOM 1246 CB VAL A 125 1.456 14.603 17.190 1.00 20.48 C ATOM 1247 CG1 VAL A 125 0.621 15.737 16.658 1.00 22.16 C ATOM 1248 CG2 VAL A 125 1.145 14.375 18.648 1.00 23.10 C ATOM 1249 H VAL A 125 3.051 12.261 16.826 1.00 0.00 H ATOM 1250 N CYS A 126 0.524 13.712 14.092 1.00 15.66 N ATOM 1251 CA CYS A 126 0.648 14.111 12.697 1.00 13.37 C ATOM 1252 C CYS A 126 -0.173 15.371 12.479 1.00 15.63 C ATOM 1253 O CYS A 126 -1.264 15.498 13.033 1.00 15.87 O ATOM 1254 CB CYS A 126 0.163 12.986 11.757 1.00 17.41 C ATOM 1255 SG CYS A 126 -0.322 13.458 10.060 1.00 15.41 S ATOM 1256 H CYS A 126 -0.431 13.539 14.466 1.00 0.00 H ATOM 1257 N LYS A 127 0.358 16.312 11.706 1.00 13.30 N ATOM 1258 CA LYS A 127 -0.299 17.598 11.454 1.00 13.94 C ATOM 1259 C LYS A 127 -0.508 17.772 9.958 1.00 15.26 C ATOM 1260 O LYS A 127 0.439 17.670 9.172 1.00 14.93 O ATOM 1261 CB LYS A 127 0.506 18.772 12.012 1.00 13.85 C ATOM 1262 CG LYS A 127 -0.103 20.148 11.773 1.00 16.11 C ATOM 1263 CD LYS A 127 -1.454 20.255 12.489 1.00 19.92 C ATOM 1264 CE LYS A 127 -2.194 21.514 12.121 1.00 18.35 C ATOM 1265 NZ LYS A 127 -1.447 22.746 12.543 1.00 19.23 N ATOM 1266 HZ1 LYS A 127 -1.316 22.734 13.575 1.00 0.00 H ATOM 1267 HZ2 LYS A 127 -0.519 22.764 12.075 1.00 0.00 H ATOM 1268 HZ3 LYS A 127 -1.991 23.590 12.271 1.00 0.00 H ATOM 1269 H LYS A 127 1.280 16.128 11.260 1.00 0.00 H ATOM 1270 N GLN A 128 -1.750 18.068 9.565 1.00 13.38 N ATOM 1271 CA GLN A 128 -2.092 18.277 8.165 1.00 13.36 C ATOM 1272 C GLN A 128 -2.703 19.664 8.045 1.00 13.54 C ATOM 1273 O GLN A 128 -3.385 20.114 8.969 1.00 15.77 O ATOM 1274 CB GLN A 128 -3.066 17.205 7.646 1.00 14.62 C ATOM 1275 CG GLN A 128 -2.457 15.820 7.718 1.00 14.96 C ATOM 1276 CD GLN A 128 -3.375 14.693 7.273 1.00 15.53 C ATOM 1277 OE1 GLN A 128 -4.587 14.886 7.067 1.00 15.52 O ATOM 1278 NE2 GLN A 128 -2.804 13.484 7.140 1.00 18.04 N ATOM 1279 HE22 GLN A 128 -1.787 13.366 7.322 1.00 0.00 H ATOM 1280 HE21 GLN A 128 -3.379 12.666 6.855 1.00 0.00 H ATOM 1281 H GLN A 128 -2.498 18.152 10.283 1.00 0.00 H ATOM 1282 N VAL A 129 -2.424 20.357 6.939 1.00 13.63 N ATOM 1283 CA VAL A 129 -3.033 21.653 6.671 1.00 13.80 C ATOM 1284 C VAL A 129 -3.534 21.640 5.243 1.00 15.74 C ATOM 1285 O VAL A 129 -2.820 21.224 4.328 1.00 13.73 O ATOM 1286 CB VAL A 129 -2.079 22.844 6.879 1.00 14.03 C ATOM 1287 CG1 VAL A 129 -2.835 24.179 6.728 1.00 15.90 C ATOM 1288 CG2 VAL A 129 -1.408 22.802 8.223 1.00 17.14 C ATOM 1289 H VAL A 129 -1.754 19.961 6.250 1.00 0.00 H ATOM 1290 N PHE A 130 -4.773 22.093 5.053 1.00 14.22 N ATOM 1291 CA PHE A 130 -5.400 22.158 3.749 1.00 13.79 C ATOM 1292 C PHE A 130 -5.773 23.607 3.455 1.00 14.01 C ATOM 1293 O PHE A 130 -6.018 24.397 4.369 1.00 14.20 O ATOM 1294 CB PHE A 130 -6.669 21.277 3.700 1.00 14.88 C ATOM 1295 CG PHE A 130 -6.425 19.818 4.012 1.00 13.41 C ATOM 1296 CD1 PHE A 130 -6.170 19.397 5.306 1.00 13.36 C ATOM 1297 CD2 PHE A 130 -6.457 18.878 3.001 1.00 13.28 C ATOM 1298 CE1 PHE A 130 -5.948 18.084 5.581 1.00 13.18 C ATOM 1299 CE2 PHE A 130 -6.221 17.552 3.272 1.00 13.10 C ATOM 1300 CZ PHE A 130 -5.949 17.163 4.576 1.00 13.80 C ATOM 1301 H PHE A 130 -5.315 22.415 5.880 1.00 0.00 H ATOM 1302 N LYS A 131 -5.833 23.947 2.178 1.00 14.07 N ATOM 1303 CA LYS A 131 -6.233 25.293 1.758 1.00 15.30 C ATOM 1304 C LYS A 131 -7.590 25.257 1.082 1.00 14.25 C ATOM 1305 O LYS A 131 -7.837 24.392 0.254 1.00 14.13 O ATOM 1306 CB LYS A 131 -5.222 25.871 0.777 1.00 14.43 C ATOM 1307 CG LYS A 131 -3.910 26.211 1.427 1.00 14.52 C ATOM 1308 CD LYS A 131 -3.978 27.478 2.251 1.00 23.79 C ATOM 1309 CE LYS A 131 -3.393 28.644 1.499 1.00 28.24 C ATOM 1310 NZ LYS A 131 -3.325 29.891 2.333 1.00 28.20 N ATOM 1311 HZ1 LYS A 131 -4.283 30.155 2.639 1.00 0.00 H ATOM 1312 HZ2 LYS A 131 -2.729 29.716 3.168 1.00 0.00 H ATOM 1313 HZ3 LYS A 131 -2.915 30.662 1.768 1.00 0.00 H ATOM 1314 H LYS A 131 -5.590 23.241 1.454 1.00 0.00 H ATOM 1315 N LYS A 132 -8.434 26.243 1.387 1.00 14.39 N ATOM 1316 CA LYS A 132 -9.748 26.307 0.743 1.00 14.38 C ATOM 1317 C LYS A 132 -9.590 26.655 -0.731 1.00 14.71 C ATOM 1318 O LYS A 132 -8.878 27.609 -1.088 1.00 15.23 O ATOM 1319 CB LYS A 132 -10.643 27.339 1.431 1.00 14.52 C ATOM 1320 CG LYS A 132 -12.184 27.018 1.343 1.00 14.73 C ATOM 1321 CD LYS A 132 -13.009 28.009 2.155 1.00 15.29 C ATOM 1322 CE LYS A 132 -14.476 27.583 2.272 1.00 17.98 C ATOM 1323 NZ LYS A 132 -15.179 27.516 0.955 1.00 18.32 N ATOM 1324 HZ1 LYS A 132 -15.159 28.453 0.505 1.00 0.00 H ATOM 1325 HZ2 LYS A 132 -14.700 26.826 0.342 1.00 0.00 H ATOM 1326 HZ3 LYS A 132 -16.165 27.222 1.105 1.00 0.00 H ATOM 1327 H LYS A 132 -8.159 26.966 2.082 1.00 0.00 H ATOM 1328 N VAL A 133 -10.293 25.925 -1.590 1.00 14.38 N ATOM 1329 CA VAL A 133 -10.186 26.094 -3.027 1.00 14.47 C ATOM 1330 C VAL A 133 -11.576 26.157 -3.632 1.00 14.49 C ATOM 1331 O VAL A 133 -12.581 25.828 -2.988 1.00 14.39 O ATOM 1332 CB VAL A 133 -9.386 24.981 -3.694 1.00 14.34 C ATOM 1333 CG1 VAL A 133 -7.906 25.183 -3.324 1.00 14.38 C ATOM 1334 CG2 VAL A 133 -9.920 23.609 -3.285 1.00 14.09 C ATOM 1335 H VAL A 133 -10.945 25.205 -1.218 1.00 0.00 H ATOM 1336 N GLN A 134 -11.618 26.586 -4.885 1.00 14.63 N ATOM 1337 CA GLN A 134 -12.898 26.877 -5.534 1.00 14.70 C ATOM 1338 C GLN A 134 -13.136 26.108 -6.826 1.00 16.30 C ATOM 1339 O GLN A 134 -14.270 26.081 -7.323 1.00 15.26 O ATOM 1340 CB GLN A 134 -13.005 28.375 -5.829 1.00 14.96 C ATOM 1341 CG GLN A 134 -12.670 29.313 -4.666 1.00 15.06 C ATOM 1342 CD GLN A 134 -13.471 29.112 -3.402 1.00 14.95 C ATOM 1343 OE1 GLN A 134 -12.969 29.325 -2.285 1.00 18.44 O ATOM 1344 NE2 GLN A 134 -14.680 28.623 -3.548 1.00 14.86 N ATOM 1345 HE22 GLN A 134 -15.063 28.459 -4.501 1.00 0.00 H ATOM 1346 HE21 GLN A 134 -15.255 28.399 -2.711 1.00 0.00 H ATOM 1347 H GLN A 134 -10.732 26.718 -5.413 1.00 0.00 H ATOM 1348 N HIS A 135 -12.140 25.444 -7.371 1.00 15.41 N ATOM 1349 CA HIS A 135 -12.317 24.684 -8.594 1.00 15.11 C ATOM 1350 C HIS A 135 -12.821 23.300 -8.223 1.00 16.35 C ATOM 1351 O HIS A 135 -12.148 22.568 -7.497 1.00 23.73 O ATOM 1352 CB HIS A 135 -11.000 24.575 -9.350 1.00 14.62 C ATOM 1353 CG HIS A 135 -11.141 23.977 -10.709 1.00 16.33 C ATOM 1354 ND1 HIS A 135 -11.702 24.662 -11.764 1.00 20.33 N ATOM 1355 CD2 HIS A 135 -10.837 22.742 -11.180 1.00 24.55 C ATOM 1356 CE1 HIS A 135 -11.712 23.888 -12.834 1.00 26.42 C ATOM 1357 NE2 HIS A 135 -11.206 22.715 -12.504 1.00 23.39 N ATOM 1358 H HIS A 135 -11.205 25.464 -6.915 1.00 0.00 H ATOM 1359 N HIS A 136 -14.005 22.948 -8.719 1.00 21.92 N ATOM 1360 CA HIS A 136 -14.634 21.693 -8.326 1.00 27.49 C ATOM 1361 C HIS A 136 -15.027 20.879 -9.549 1.00 33.59 C ATOM 1362 O HIS A 136 -14.278 20.819 -10.516 1.00 36.41 O ATOM 1363 CB HIS A 136 -15.858 21.981 -7.461 1.00 28.34 C ATOM 1364 CG HIS A 136 -16.456 20.767 -6.818 1.00 34.82 C ATOM 1365 ND1 HIS A 136 -17.571 20.134 -7.326 1.00 32.76 N ATOM 1366 CD2 HIS A 136 -16.120 20.093 -5.690 1.00 35.41 C ATOM 1367 CE1 HIS A 136 -17.886 19.111 -6.549 1.00 35.78 C ATOM 1368 NE2 HIS A 136 -17.025 19.064 -5.547 1.00 29.52 N ATOM 1369 H HIS A 136 -14.487 23.575 -9.394 1.00 0.00 H TER 1370 HIS A 136 HETATM 1371 O HOH 1 -1.574 29.806 4.039 1.00 35.97 O HETATM 1372 O HOH 2 3.905 5.873 21.380 1.00 38.74 O HETATM 1373 O HOH 3 -17.969 20.137 -9.715 1.00 38.74 O HETATM 1374 O HOH 4 -9.618 2.564 -2.808 1.00 40.01 O HETATM 1375 O HOH 5 -15.250 32.678 17.201 1.00 40.77 O HETATM 1376 O HOH 6 4.725 12.922 19.828 1.00 41.66 O HETATM 1377 O HOH 7 -14.616 3.983 28.029 1.00 47.71 O HETATM 1378 O HOH 8 -15.770 27.105 5.381 1.00 36.95 O HETATM 1379 O HOH 9 -20.394 -3.501 14.310 1.00 34.89 O HETATM 1380 O HOH 10 9.211 7.640 3.355 1.00 51.30 O HETATM 1381 O HOH 11 -25.776 15.993 18.797 1.00 37.12 O HETATM 1382 O HOH 12 -19.145 21.293 23.463 1.00 30.33 O HETATM 1383 O HOH 13 -8.271 29.736 14.388 1.00 33.43 O HETATM 1384 O HOH 14 8.482 18.119 10.279 1.00 18.72 O HETATM 1385 O HOH 15 -16.640 7.677 21.769 1.00 21.78 O HETATM 1386 O HOH 16 -10.254 4.047 2.758 1.00 24.42 O HETATM 1387 O HOH 17 -22.635 -0.259 14.934 1.00 26.83 O HETATM 1388 O HOH 18 -0.851 22.629 15.083 1.00 30.55 O HETATM 1389 O HOH 19 0.858 13.166 2.018 1.00 19.08 O HETATM 1390 O HOH 20 0.593 19.714 15.700 1.00 39.81 O HETATM 1391 O HOH 21 6.796 -0.283 14.710 1.00 38.05 O HETATM 1392 O HOH 22 -25.712 11.464 5.171 1.00 29.75 O HETATM 1393 O HOH 23 -11.695 27.001 14.156 1.00 21.21 O HETATM 1394 O HOH 24 -6.636 9.704 14.914 1.00 17.51 O HETATM 1395 O HOH 25 -27.073 17.739 17.177 1.00 46.09 O HETATM 1396 O HOH 26 -15.822 19.606 24.048 1.00 50.43 O HETATM 1397 O HOH 27 9.204 11.454 13.071 1.00 28.18 O HETATM 1398 O HOH 28 2.440 -3.944 10.610 1.00 41.72 O HETATM 1399 O HOH 29 -7.766 32.553 0.308 1.00 31.09 O HETATM 1400 O HOH 30 -28.617 16.983 7.709 1.00 16.81 O HETATM 1401 O HOH 31 -15.304 14.218 21.552 1.00 22.39 O HETATM 1402 O HOH 32 -2.117 30.078 9.879 1.00 38.35 O HETATM 1403 O HOH 33 -27.396 11.650 9.264 1.00 38.14 O HETATM 1404 O HOH 34 0.353 11.373 -5.016 1.00 31.46 O HETATM 1405 O HOH 35 -13.354 3.061 3.765 1.00 27.68 O HETATM 1406 O HOH 36 -8.584 3.597 19.847 1.00 17.80 O HETATM 1407 O HOH 37 -11.524 9.871 11.578 1.00 17.74 O HETATM 1408 O HOH 38 -8.720 13.405 20.812 1.00 33.18 O HETATM 1409 O HOH 39 -5.137 17.875 -2.289 1.00 15.48 O HETATM 1410 O HOH 40 -3.192 -0.588 22.965 1.00 36.80 O HETATM 1411 O HOH 41 -10.823 15.760 8.361 1.00 20.66 O HETATM 1412 O HOH 42 8.057 5.831 9.533 1.00 35.72 O HETATM 1413 O HOH 43 -5.042 7.614 -4.813 1.00 21.23 O HETATM 1414 O HOH 44 -19.558 9.942 23.649 1.00 30.35 O HETATM 1415 O HOH 45 -6.630 28.749 -2.089 1.00 23.41 O HETATM 1416 O HOH 46 -14.443 25.687 -1.011 1.00 14.27 O HETATM 1417 O HOH 47 1.532 0.759 18.463 1.00 46.86 O HETATM 1418 O HOH 48 7.520 4.453 7.468 1.00 26.03 O HETATM 1419 O HOH 49 -17.004 -3.177 7.757 1.00 49.13 O HETATM 1420 O HOH 50 3.405 -2.878 14.677 1.00 27.40 O HETATM 1421 O HOH 51 6.755 10.235 9.987 1.00 19.84 O HETATM 1422 O HOH 52 -23.153 5.071 22.147 1.00 24.07 O HETATM 1423 O HOH 53 4.295 12.961 6.582 1.00 14.88 O HETATM 1424 O HOH 54 -3.706 5.223 -3.890 1.00 23.87 O HETATM 1425 O HOH 55 -16.108 6.623 8.632 1.00 17.34 O HETATM 1426 O HOH 56 -11.714 31.804 8.444 1.00 27.18 O HETATM 1427 O HOH 57 -22.486 8.097 12.032 1.00 26.64 O HETATM 1428 O HOH 58 -24.682 11.095 10.272 1.00 22.17 O HETATM 1429 O HOH 59 -2.208 10.146 21.937 1.00 24.96 O HETATM 1430 O HOH 60 -2.813 19.306 -2.930 1.00 18.99 O HETATM 1431 O HOH 61 -6.988 6.663 25.608 1.00 37.93 O HETATM 1432 O HOH 62 -23.272 9.825 22.323 1.00 27.65 O HETATM 1433 O HOH 63 -10.049 29.942 -2.000 1.00 16.19 O HETATM 1434 O HOH 64 -9.920 -4.254 5.761 1.00 51.07 O HETATM 1435 O HOH 65 -22.050 29.115 8.777 1.00 36.77 O HETATM 1436 O HOH 66 -3.763 15.973 -5.083 1.00 36.93 O HETATM 1437 O HOH 67 -11.967 10.207 -5.357 1.00 31.34 O HETATM 1438 O HOH 68 -0.939 2.852 25.468 1.00 47.61 O HETATM 1439 O HOH 69 4.099 -0.740 13.623 1.00 31.10 O HETATM 1440 O HOH 70 -4.812 -5.286 16.198 1.00 39.70 O HETATM 1441 O HOH 71 -17.903 27.125 1.349 1.00 17.67 O HETATM 1442 O HOH 72 4.676 20.421 14.171 1.00 33.22 O HETATM 1443 O HOH 73 6.858 7.790 16.405 1.00 26.98 O HETATM 1444 O HOH 74 -22.024 9.675 3.534 1.00 34.75 O HETATM 1445 O HOH 75 -7.438 7.131 12.621 1.00 19.24 O HETATM 1446 O HOH 76 -5.906 -1.064 5.036 1.00 34.44 O HETATM 1447 O HOH 77 -15.873 3.284 6.421 1.00 29.29 O HETATM 1448 O HOH 78 -17.008 15.540 -5.137 1.00 42.23 O HETATM 1449 O HOH 79 -6.797 13.172 6.939 1.00 25.83 O HETATM 1450 O HOH 80 -27.820 23.815 6.768 1.00 25.75 O HETATM 1451 O HOH 81 -12.877 11.594 5.749 1.00 14.98 O HETATM 1452 O HOH 82 -19.847 12.394 16.965 1.00 18.86 O HETATM 1453 O HOH 83 -14.786 24.233 25.574 1.00 45.87 O HETATM 1454 O HOH 84 -11.688 29.310 5.282 1.00 30.92 O HETATM 1455 O HOH 85 -25.969 17.258 5.003 1.00 20.23 O HETATM 1456 O HOH 86 -3.042 -1.891 11.200 1.00 34.38 O HETATM 1457 O HOH 87 1.194 -2.642 18.414 1.00 43.33 O HETATM 1458 O HOH 88 6.306 8.042 1.186 1.00 24.06 O HETATM 1459 O HOH 89 3.746 12.981 -3.122 1.00 26.92 O HETATM 1460 O HOH 90 5.278 5.515 15.548 1.00 19.76 O HETATM 1461 O HOH 91 -25.144 7.213 16.734 1.00 61.32 O HETATM 1462 O HOH 92 -22.932 3.887 14.830 1.00 25.97 O HETATM 1463 O HOH 93 -28.180 19.199 13.286 1.00 30.11 O HETATM 1464 O HOH 94 -23.701 4.891 19.453 1.00 30.31 O HETATM 1465 O HOH 95 -10.103 -0.076 17.759 1.00 19.04 O HETATM 1466 O HOH 96 3.656 14.331 3.363 1.00 28.26 O HETATM 1467 O HOH 97 -8.581 6.679 22.115 1.00 24.41 O HETATM 1468 O HOH 98 -18.939 16.329 1.388 1.00 20.96 O HETATM 1469 O HOH 99 -22.931 10.414 14.986 1.00 20.96 O HETATM 1470 O HOH 100 -5.927 17.650 -5.758 1.00 33.04 O HETATM 1471 O HOH 101 -17.599 4.400 9.478 1.00 21.89 O HETATM 1472 O HOH 102 -5.936 11.931 21.236 1.00 30.49 O HETATM 1473 O HOH 103 -0.881 -2.628 6.844 1.00 25.42 O HETATM 1474 O HOH 104 1.217 6.637 -3.460 1.00 27.01 O HETATM 1475 O HOH 105 -23.607 17.180 6.216 1.00 17.93 O HETATM 1476 O HOH 106 -6.271 1.684 1.542 1.00 25.74 O HETATM 1477 O HOH 107 -23.122 19.262 19.454 1.00 34.14 O HETATM 1478 O HOH 108 5.341 1.481 -0.882 1.00 24.45 O HETATM 1479 O HOH 109 -5.083 32.389 5.778 1.00 37.70 O HETATM 1480 O HOH 110 -15.702 6.708 -1.957 1.00 40.29 O HETATM 1481 O HOH 111 -17.237 5.139 5.484 1.00 31.16 O HETATM 1482 O HOH 112 0.954 23.181 10.956 1.00 26.03 O HETATM 1483 O HOH 113 3.017 21.462 10.053 1.00 22.59 O HETATM 1484 O HOH 114 5.926 -1.350 11.450 1.00 38.27 O HETATM 1485 O HOH 115 -18.750 3.071 23.702 1.00 32.85 O HETATM 1486 O HOH 116 -14.812 30.237 -0.043 1.00 21.56 O HETATM 1487 O HOH 117 -9.668 32.268 11.286 1.00 32.31 O HETATM 1488 O HOH 118 -9.171 4.196 23.157 1.00 23.98 O HETATM 1489 O HOH 119 -5.446 -3.828 12.166 1.00 50.54 O HETATM 1490 O HOH 120 10.686 4.905 12.826 1.00 30.92 O HETATM 1491 O HOH 121 -28.981 15.712 11.802 1.00 23.91 O HETATM 1492 O HOH 122 -13.882 15.597 -5.801 1.00 43.85 O HETATM 1493 O HOH 123 -14.916 5.222 3.711 1.00 19.62 O HETATM 1494 O HOH 124 -18.158 8.157 9.854 1.00 22.48 O HETATM 1495 O HOH 125 -4.015 -6.636 17.962 1.00 37.99 O HETATM 1496 O HOH 126 3.397 3.953 19.493 1.00 50.75 O HETATM 1497 O HOH 127 6.180 -3.083 8.106 1.00 23.88 O HETATM 1498 O HOH 128 6.944 14.795 7.661 1.00 14.40 O HETATM 1499 O HOH 129 4.215 15.408 -3.604 1.00 32.94 O HETATM 1500 O HOH 130 -13.764 15.644 23.120 1.00 33.37 O HETATM 1501 O HOH 131 -1.323 26.055 13.947 1.00 37.00 O HETATM 1502 O HOH 132 -7.972 1.931 17.852 1.00 17.64 O HETATM 1503 O HOH 133 4.965 12.601 17.262 1.00 22.61 O HETATM 1504 O HOH 134 6.203 13.625 3.231 1.00 28.68 O HETATM 1505 O HOH 135 5.369 -3.706 3.978 1.00 19.87 O HETATM 1506 O HOH 136 -20.618 19.090 20.719 1.00 24.04 O HETATM 1507 O HOH 137 4.224 17.662 -6.447 1.00 30.96 O HETATM 1508 O HOH 138 -21.091 6.828 8.683 1.00 36.00 O HETATM 1509 O HOH 139 -11.981 29.652 12.868 1.00 30.29 O HETATM 1510 O HOH 140 -18.852 -4.994 9.026 1.00 45.64 O HETATM 1511 O HOH 141 -23.453 24.380 11.499 1.00 28.41 O HETATM 1512 O HOH 142 3.507 16.448 13.577 1.00 30.25 O HETATM 1513 O HOH 143 4.296 13.396 -0.351 1.00 42.75 O HETATM 1514 O HOH 144 -21.856 5.114 11.981 1.00 34.75 O HETATM 1515 O HOH 145 -25.556 24.812 9.094 1.00 23.74 O HETATM 1516 O HOH 146 -5.591 12.248 -5.945 1.00 33.64 O HETATM 1517 O HOH 147 -11.496 27.763 19.707 1.00 37.67 O HETATM 1518 O HOH 148 6.036 11.082 7.426 1.00 17.04 O HETATM 1519 O HOH 149 -20.535 26.334 14.594 1.00 52.42 O HETATM 1520 O HOH 150 -2.809 11.955 -4.551 1.00 19.77 O HETATM 1521 O HOH 151 -19.294 7.035 6.355 1.00 29.00 O HETATM 1522 O HOH 152 -4.677 20.042 18.820 1.00 34.21 O HETATM 1523 O HOH 153 -15.110 9.210 -5.544 1.00 41.52 O HETATM 1524 O HOH 154 -15.346 29.227 9.207 1.00 27.92 O HETATM 1525 O HOH 155 -18.872 33.601 17.127 1.00 46.15 O HETATM 1526 O HOH 156 6.792 10.588 16.094 1.00 23.59 O HETATM 1527 O HOH 157 -7.046 10.834 12.023 1.00 27.53 O HETATM 1528 O HOH 158 -19.684 5.871 10.505 1.00 30.01 O HETATM 1529 O HOH 159 -21.765 11.622 23.777 1.00 51.36 O HETATM 1530 O HOH 160 -25.892 8.283 19.090 1.00 58.93 O HETATM 1531 O HOH 161 8.214 13.611 10.012 1.00 23.56 O HETATM 1532 O HOH 162 -8.220 11.057 22.294 1.00 37.63 O HETATM 1533 O HOH 163 -18.584 5.206 28.347 1.00 39.16 O HETATM 1534 O HOH 164 -13.870 18.157 23.811 1.00 45.82 O HETATM 1535 O HOH 165 -9.040 8.959 11.236 1.00 20.93 O HETATM 1536 O HOH 166 -11.250 19.269 -7.835 1.00 40.55 O HETATM 1537 O HOH 167 4.507 0.627 16.637 1.00 53.66 O HETATM 1538 O HOH 168 8.205 10.885 5.685 1.00 35.84 O HETATM 1539 O HOH 169 6.180 14.811 16.183 1.00 27.79 O HETATM 1540 O HOH 170 0.928 9.657 25.177 1.00 45.53 O HETATM 1541 O HOH 171 -4.272 13.514 23.423 1.00 42.54 O HETATM 1542 O HOH 172 -10.863 13.772 10.049 1.00 32.20 O HETATM 1543 O HOH 173 -19.271 2.856 7.746 1.00 40.49 O HETATM 1544 O HOH 174 8.681 -1.834 9.215 1.00 45.14 O HETATM 1545 O HOH 175 -20.061 10.869 1.137 1.00 43.98 O HETATM 1546 O HOH 176 4.804 -3.686 10.495 1.00 43.25 O HETATM 1547 O HOH 177 -10.009 28.103 16.068 1.00 37.60 O HETATM 1548 O HOH 178 6.882 18.829 14.751 1.00 35.93 O HETATM 1549 O HOH 179 5.454 3.764 -2.173 1.00 42.57 O HETATM 1550 O HOH 180 7.274 10.560 0.581 1.00 31.59 O HETATM 1551 O HOH 181 10.933 2.102 13.470 1.00 29.85 O HETATM 1552 O HOH 182 -15.609 9.716 23.700 1.00 33.62 O HETATM 1553 O HOH 183 4.838 3.406 17.344 1.00 28.30 O HETATM 1554 O HOH 184 -3.211 -1.796 7.991 1.00 36.15 O HETATM 1555 O HOH 185 -15.045 32.584 11.539 1.00 44.97 O HETATM 1556 O HOH 186 -16.676 2.280 28.373 1.00 41.75 O HETATM 1557 O HOH 187 -11.418 11.867 7.892 1.00 40.58 O HETATM 1558 O HOH 188 -23.296 3.102 17.683 1.00 45.88 O HETATM 1559 O HOH 189 8.116 -0.482 1.577 1.00 44.54 O HETATM 1560 O HOH 190 -8.409 12.620 10.418 1.00 33.79 O HETATM 1561 O HOH 191 9.047 8.815 9.580 1.00 31.20 O HETATM 1562 O HOH 192 -11.930 -4.161 7.231 1.00 33.01 O HETATM 1563 O HOH 193 -8.759 8.428 24.216 1.00 36.12 O HETATM 1564 O HOH 194 -10.085 12.605 -6.278 1.00 45.85 O HETATM 1565 O HOH 195 -1.490 18.354 -4.896 1.00 21.39 O HETATM 1566 O HOH 196 1.351 8.761 -5.283 1.00 35.51 O HETATM 1567 O HOH 197 -21.496 15.323 0.806 1.00 23.69 O HETATM 1568 O HOH 198 -27.503 15.097 4.049 1.00 23.33 O HETATM 1569 O HOH 199 -5.435 22.994 18.448 1.00 43.27 O HETATM 1570 O HOH 200 5.035 -6.771 6.128 1.00 52.25 O HETATM 1571 O HOH 201 7.008 2.019 19.247 1.00 50.89 O HETATM 1572 O HOH 202 -5.207 30.331 -2.006 1.00 38.36 O HETATM 1573 O HOH 203 8.908 12.114 15.506 1.00 44.08 O HETATM 1574 O HOH 204 6.505 13.191 0.720 1.00 34.19 O HETATM 1575 O HOH 205 -17.454 30.983 7.847 1.00 38.35 O HETATM 1576 O HOH 206 -3.831 25.399 17.745 1.00 43.24 O HETATM 1577 O HOH 207 -3.276 9.387 -6.164 1.00 28.90 O HETATM 1578 O HOH 208 -6.338 -5.491 9.866 1.00 49.27 O HETATM 1579 O HOH 209 6.294 16.242 13.796 1.00 27.07 O HETATM 1580 O HOH 210 -16.115 31.562 -0.971 1.00 47.30 O HETATM 1581 O HOH 211 7.491 -3.593 2.089 1.00 27.83 O HETATM 1582 O HOH 212 -19.820 26.104 17.050 1.00 53.34 O HETATM 1583 O HOH 213 -10.760 34.445 8.798 1.00 49.33 O HETATM 1584 O HOH 214 -9.081 11.033 8.451 1.00 46.81 O HETATM 1585 O HOH 215 -11.463 31.128 3.123 1.00 25.24 O HETATM 1586 O HOH 216 -26.706 9.283 13.567 1.00 32.06 O HETATM 1587 O HOH 217 12.431 5.905 14.801 1.00 33.36 O HETATM 1588 O HOH 218 6.311 -4.985 5.945 1.00 33.09 O HETATM 1589 O HOH 219 -29.467 13.763 5.342 1.00 19.68 O HETATM 1590 O HOH 220 -23.655 -2.531 12.773 1.00 51.98 O HETATM 1591 O HOH 221 -10.574 33.682 3.864 1.00 33.96 O HETATM 1592 O HOH 222 -10.223 31.500 0.442 1.00 25.77 O HETATM 1593 O HOH 223 -15.557 12.293 23.617 1.00 31.29 O HETATM 1594 O HOH 224 -21.796 12.605 0.626 1.00 31.44 O HETATM 1595 O HOH 225 -18.541 15.746 -8.075 1.00 46.78 O HETATM 1596 O HOH 226 3.522 4.919 -3.924 1.00 33.97 O HETATM 1597 O HOH 227 5.036 11.963 -5.115 1.00 36.64 O HETATM 1598 O HOH 228 -23.509 1.816 13.407 1.00 26.18 O HETATM 1599 O HOH 229 -17.347 4.711 2.916 1.00 51.59 O HETATM 1600 O HOH 230 -20.745 7.192 4.118 1.00 35.86 O HETATM 1601 O HOH 231 -13.590 30.500 10.752 1.00 27.66 O HETATM 1602 O HOH 232 4.441 -0.336 -2.849 1.00 32.03 O HETATM 1603 O HOH 233 8.495 6.976 -0.237 1.00 42.02 O HETATM 1604 O HOH 234 12.719 8.459 13.912 1.00 44.15 O HETATM 1605 O HOH 235 11.578 10.059 15.401 1.00 45.25 O HETATM 1606 O HOH 236 -18.842 20.619 26.398 1.00 38.43 O HETATM 1607 O HOH 237 -26.172 4.348 19.754 1.00 36.18 O HETATM 1608 O HOH 238 7.875 0.774 -0.199 1.00 34.71 O HETATM 1609 O HOH 239 3.715 9.410 -6.146 1.00 46.70 O HETATM 1610 O HOH 240 7.877 5.041 -1.928 1.00 35.28 O HETATM 1611 O HOH 241 -23.009 -1.465 10.565 1.00 43.49 O HETATM 1612 O HOH 242 5.127 16.569 18.018 1.00 35.86 O HETATM 1613 O HOH 243 -1.617 12.542 -8.310 1.00 48.55 O HETATM 1614 O HOH 244 -25.677 13.900 2.318 1.00 30.11 O HETATM 1615 O HOH 245 -21.465 28.062 18.145 1.00 52.17 O HETATM 1616 O HOH 246 -14.155 13.416 25.652 1.00 44.59 O HETATM 1617 O HOH 247 -19.412 5.846 1.641 1.00 40.56 O HETATM 1618 O HOH 248 9.732 -4.449 4.093 1.00 47.27 O HETATM 1619 O HOH 249 6.093 6.423 -5.343 1.00 48.76 O HETATM 1620 O HOH 250 8.842 11.096 -1.796 1.00 45.65 O HETATM 1621 O HOH 251 9.196 8.547 -2.995 1.00 34.79 O HETATM 1622 O01 MOL A 252 -6.621 10.402 5.141 1.00 -0.34 O HETATM 1623 C12 MOL A 252 -5.394 10.653 4.421 1.00 0.08 C HETATM 1624 C09 MOL A 252 -4.840 9.512 3.808 1.00 0.02 C HETATM 1625 C04 MOL A 252 -5.435 8.078 3.797 1.00 0.01 C HETATM 1626 C03 MOL A 252 -5.739 7.555 2.343 1.00 0.01 C HETATM 1627 C05 MOL A 252 -6.208 6.123 2.456 1.00 -0.03 C HETATM 1628 C06 MOL A 252 -5.047 5.261 2.893 1.00 -0.03 C HETATM 1629 C08 MOL A 252 -4.381 5.815 4.151 1.00 -0.08 C HETATM 1630 C07 MOL A 252 -4.578 7.106 4.530 1.00 -0.10 C HETATM 1631 H9 MOL A 252 -4.074 7.453 5.431 1.00 0.03 H HETATM 1632 C11 MOL A 252 -3.600 4.879 5.030 1.00 -0.04 C HETATM 1633 H10 MOL A 252 -3.190 5.436 5.886 1.00 0.04 H HETATM 1634 H11 MOL A 252 -2.776 4.436 4.452 1.00 0.04 H HETATM 1635 H12 MOL A 252 -4.263 4.081 5.396 1.00 0.04 H HETATM 1636 H7 MOL A 252 -4.304 5.224 2.082 1.00 0.04 H HETATM 1637 H8 MOL A 252 -5.414 4.245 3.101 1.00 0.04 H HETATM 1638 H5 MOL A 252 -6.577 5.777 1.479 1.00 0.03 H HETATM 1639 H6 MOL A 252 -7.017 6.057 3.198 1.00 0.03 H HETATM 1640 C10 MOL A 252 -6.783 8.399 1.637 1.00 -0.07 C HETATM 1641 C14 MOL A 252 -8.194 8.524 2.159 1.00 -0.03 C HETATM 1642 H13 MOL A 252 -8.774 9.181 1.494 1.00 0.04 H HETATM 1643 H14 MOL A 252 -8.174 8.953 3.172 1.00 0.04 H HETATM 1644 H15 MOL A 252 -8.662 7.529 2.192 1.00 0.04 H HETATM 1645 C15 MOL A 252 -6.433 9.090 0.507 1.00 -0.13 C HETATM 1646 H16 MOL A 252 -5.420 9.014 0.114 1.00 0.01 H HETATM 1647 H17 MOL A 252 -7.168 9.716 0.002 1.00 0.01 H HETATM 1648 H3 MOL A 252 -4.811 7.587 1.753 1.00 0.05 H HETATM 1649 H4 MOL A 252 -6.396 8.130 4.329 1.00 0.05 H HETATM 1650 C13 MOL A 252 -3.665 9.881 3.185 1.00 0.08 C HETATM 1651 O02 MOL A 252 -2.988 8.796 2.495 1.00 -0.34 O HETATM 1652 H2 MOL A 252 -2.192 9.125 2.093 1.00 0.25 H HETATM 1653 C17 MOL A 252 -3.098 11.100 3.099 1.00 -0.05 C HETATM 1654 C18 MOL A 252 -3.697 12.168 3.768 1.00 -0.07 C HETATM 1655 C16 MOL A 252 -4.904 11.940 4.451 1.00 -0.05 C HETATM 1656 H18 MOL A 252 -5.422 12.736 4.974 1.00 0.04 H HETATM 1657 C19 MOL A 252 -3.049 13.583 3.730 1.00 -0.04 C HETATM 1658 H20 MOL A 252 -3.665 14.284 4.312 1.00 0.04 H HETATM 1659 H21 MOL A 252 -2.985 13.929 2.688 1.00 0.04 H HETATM 1660 H22 MOL A 252 -2.039 13.536 4.163 1.00 0.04 H HETATM 1661 H19 MOL A 252 -2.193 11.248 2.521 1.00 0.04 H HETATM 1662 H1 MOL A 252 -6.933 11.213 5.525 1.00 0.25 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1622 1623 1662 CONECT 1623 1622 1624 1655 CONECT 1624 1623 1625 1650 CONECT 1625 1624 1626 1630 1649 CONECT 1626 1625 1627 1640 1648 CONECT 1627 1626 1628 1638 1639 CONECT 1628 1627 1629 1636 1637 CONECT 1629 1628 1630 1632 CONECT 1630 1625 1629 1631 CONECT 1631 1630 CONECT 1632 1629 1633 1634 1635 CONECT 1633 1632 CONECT 1634 1632 CONECT 1635 1632 CONECT 1636 1628 CONECT 1637 1628 CONECT 1638 1627 CONECT 1639 1627 CONECT 1640 1626 1641 1645 CONECT 1641 1640 1642 1643 1644 CONECT 1642 1641 CONECT 1643 1641 CONECT 1644 1641 CONECT 1645 1640 1646 1647 CONECT 1646 1645 CONECT 1647 1645 CONECT 1648 1626 CONECT 1649 1625 CONECT 1650 1624 1651 1653 CONECT 1651 1650 1652 CONECT 1652 1651 CONECT 1653 1650 1654 1661 CONECT 1654 1653 1655 1657 CONECT 1655 1623 1654 1656 CONECT 1656 1655 CONECT 1657 1654 1658 1659 1660 CONECT 1658 1657 CONECT 1659 1657 CONECT 1660 1657 CONECT 1661 1653 CONECT 1662 1622 MASTER 0 0 0 0 0 0 0 0 1661 1 44 11 END
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Structure:
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Related entries of code: 6e6m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ha1
RCSB PDB
PDBbind
140aa, >5HA1_1|Chain... *
5hbs
RCSB PDB
PDBbind
140aa, >5HBS_1|Chain... at 100%
6e5t
RCSB PDB
PDBbind
140aa, >6E5T_1|Chain... at 100%
6e5l
RCSB PDB
PDBbind
140aa, >6E5L_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
6e6m
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Retinol-binding protein 1
Ligand Name
8CB
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Ki=1786.5nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Chem.Biol. Vol. 14: pp. 434-448
Ligand Properties
Formula
C
1
7
H
2
2
O
2
Molecular Weight
258.355
Exact Mass
258.162
No. of atoms
41
No. of bonds
42
Polar Surface Area
40.46
LOGP Value
4.47 (
Computed with XLOGP3
)
4.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
CC1=C[C@H]([C@@H](CC1)C(=C)C)c1c(O)cc(cc1O)C
InChI String
InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3/t13-,14+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P09455
Entrez Gene ID
NCBI Entrez Gene ID:
5947
ASD
Information of known allosteric effects of PDB entries
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