Browse entries in the PDBbind-CN Database
HEADER 5HA1_COMPLEX COMPND 5HA1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 140 PRO VAL ASP PHE THR GLY TYR TRP LYS MET LEU VAL ASN SEQRES 2 A 140 GLU ASN PHE GLU GLU TYR LEU ARG ALA LEU ASP VAL ASN SEQRES 3 A 140 VAL ALA LEU ARG LYS ILE ALA ASN LEU LEU LYS PRO ASP SEQRES 4 A 140 LYS GLU ILE VAL GLN ASP GLY ASP HIS MET ILE ILE ARG SEQRES 5 A 140 THR LEU SER THR PHE ARG ASN TYR ILE MET ASP PHE GLN SEQRES 6 A 140 VAL GLY LYS GLU PHE GLU GLU ASP LEU THR GLY ILE ASP SEQRES 7 A 140 ASP ARG LYS CYS MET THR THR VAL SER TRP ASP GLY ASP SEQRES 8 A 140 LYS LEU GLN CYS VAL GLN LYS GLY GLU LYS GLU GLY ARG SEQRES 9 A 140 GLY TRP THR GLN TRP ILE GLU GLY ASP GLU LEU HIS LEU SEQRES 10 A 140 GLU MET ARG VAL GLU GLY VAL VAL CYS LYS GLN VAL PHE SEQRES 11 A 140 LYS LYS VAL GLN HIS HIS HIS HIS HIS HIS HET RNE A 426 53 ATOM 1 N PRO A 1 -10.374 -3.272 -13.048 1.00 20.49 N ATOM 2 CA PRO A 1 -10.120 -2.251 -12.012 1.00 19.73 C ATOM 3 C PRO A 1 -9.296 -2.756 -10.821 1.00 16.20 C ATOM 4 O PRO A 1 -9.343 -3.960 -10.502 1.00 18.22 O ATOM 5 CB PRO A 1 -11.530 -1.862 -11.548 1.00 20.55 C ATOM 6 CG PRO A 1 -12.424 -2.206 -12.711 1.00 20.48 C ATOM 7 CD PRO A 1 -11.814 -3.454 -13.306 1.00 20.58 C ATOM 8 HN2 PRO A 1 -9.973 -4.178 -12.732 1.00 0.00 H ATOM 9 HN1 PRO A 1 -9.909 -2.977 -13.931 1.00 0.00 H ATOM 10 N VAL A 2 -8.568 -1.856 -10.149 1.00 12.57 N ATOM 11 CA VAL A 2 -7.695 -2.284 -9.063 1.00 10.74 C ATOM 12 C VAL A 2 -8.535 -2.782 -7.894 1.00 8.01 C ATOM 13 O VAL A 2 -9.481 -2.122 -7.454 1.00 9.92 O ATOM 14 CB VAL A 2 -6.768 -1.143 -8.618 1.00 13.08 C ATOM 15 CG1 VAL A 2 -5.824 -1.612 -7.494 1.00 14.28 C ATOM 16 CG2 VAL A 2 -6.005 -0.610 -9.801 1.00 13.66 C ATOM 17 H VAL A 2 -8.625 -0.849 -10.402 1.00 0.00 H ATOM 18 N ASP A 3 -8.186 -3.954 -7.378 1.00 6.88 N ATOM 19 CA ASP A 3 -8.900 -4.542 -6.248 1.00 6.03 C ATOM 20 C ASP A 3 -7.866 -5.216 -5.370 1.00 5.18 C ATOM 21 O ASP A 3 -7.202 -6.164 -5.800 1.00 6.81 O ATOM 22 CB ASP A 3 -9.949 -5.545 -6.725 1.00 6.72 C ATOM 23 CG ASP A 3 -10.887 -5.985 -5.639 1.00 7.79 C ATOM 24 OD1 ASP A 3 -10.512 -6.015 -4.453 1.00 6.54 O ATOM 25 OD2 ASP A 3 -12.024 -6.358 -5.974 1.00 11.23 O ATOM 26 H ASP A 3 -7.381 -4.468 -7.790 1.00 0.00 H ATOM 27 N PHE A 4 -7.711 -4.698 -4.150 1.00 4.60 N ATOM 28 CA PHE A 4 -6.702 -5.189 -3.229 1.00 4.17 C ATOM 29 C PHE A 4 -7.139 -6.441 -2.478 1.00 3.86 C ATOM 30 O PHE A 4 -6.348 -6.976 -1.694 1.00 4.48 O ATOM 31 CB PHE A 4 -6.356 -4.109 -2.205 1.00 4.07 C ATOM 32 CG PHE A 4 -5.691 -2.894 -2.786 1.00 4.60 C ATOM 33 CD1 PHE A 4 -4.376 -2.961 -3.155 1.00 4.86 C ATOM 34 CD2 PHE A 4 -6.360 -1.698 -2.952 1.00 5.95 C ATOM 35 CE1 PHE A 4 -3.711 -1.839 -3.673 1.00 5.53 C ATOM 36 CE2 PHE A 4 -5.713 -0.574 -3.461 1.00 5.91 C ATOM 37 CZ PHE A 4 -4.384 -0.655 -3.833 1.00 5.35 C ATOM 38 H PHE A 4 -8.332 -3.919 -3.850 1.00 0.00 H ATOM 39 N THR A 5 -8.364 -6.922 -2.683 1.00 3.21 N ATOM 40 CA THR A 5 -8.852 -8.060 -1.913 1.00 3.13 C ATOM 41 C THR A 5 -7.926 -9.258 -2.077 1.00 3.77 C ATOM 42 O THR A 5 -7.546 -9.631 -3.190 1.00 3.81 O ATOM 43 CB THR A 5 -10.253 -8.426 -2.388 1.00 3.72 C ATOM 44 OG1 THR A 5 -11.152 -7.319 -2.187 1.00 3.43 O ATOM 45 CG2 THR A 5 -10.785 -9.625 -1.619 1.00 4.09 C ATOM 46 HG1 THR A 5 -10.830 -6.536 -2.700 1.00 0.00 H ATOM 47 H THR A 5 -8.978 -6.482 -3.398 1.00 0.00 H ATOM 48 N GLY A 6 -7.571 -9.869 -0.968 1.00 2.96 N ATOM 49 CA GLY A 6 -6.712 -11.038 -1.004 1.00 3.27 C ATOM 50 C GLY A 6 -5.938 -11.198 0.287 1.00 3.14 C ATOM 51 O GLY A 6 -6.079 -10.429 1.229 1.00 3.29 O ATOM 52 H GLY A 6 -7.910 -9.510 -0.053 1.00 0.00 H ATOM 53 N TYR A 7 -5.098 -12.223 0.292 1.00 2.67 N ATOM 54 CA TYR A 7 -4.188 -12.536 1.384 1.00 2.75 C ATOM 55 C TYR A 7 -2.785 -12.409 0.814 1.00 3.44 C ATOM 56 O TYR A 7 -2.497 -12.941 -0.264 1.00 3.78 O ATOM 57 CB TYR A 7 -4.441 -13.956 1.934 1.00 5.40 C ATOM 58 CG TYR A 7 -3.883 -14.152 3.334 1.00 9.71 C ATOM 59 CD1 TYR A 7 -4.655 -13.826 4.430 1.00 11.00 C ATOM 60 CD2 TYR A 7 -2.589 -14.600 3.568 1.00 15.62 C ATOM 61 CE1 TYR A 7 -4.189 -13.976 5.724 1.00 13.94 C ATOM 62 CE2 TYR A 7 -2.105 -14.746 4.894 1.00 17.15 C ATOM 63 CZ TYR A 7 -2.922 -14.422 5.953 1.00 16.01 C ATOM 64 OH TYR A 7 -2.497 -14.568 7.262 1.00 17.47 O ATOM 65 HH TYR A 7 -1.696 -14.006 7.412 1.00 0.00 H ATOM 66 H TYR A 7 -5.088 -12.846 -0.541 1.00 0.00 H ATOM 67 N TRP A 8 -1.933 -11.674 1.512 1.00 3.71 N ATOM 68 CA TRP A 8 -0.660 -11.201 0.989 1.00 3.91 C ATOM 69 C TRP A 8 0.423 -11.477 2.025 1.00 4.89 C ATOM 70 O TRP A 8 0.266 -11.123 3.196 1.00 7.15 O ATOM 71 CB TRP A 8 -0.739 -9.703 0.716 1.00 4.48 C ATOM 72 CG TRP A 8 -1.861 -9.259 -0.164 1.00 4.38 C ATOM 73 CD1 TRP A 8 -3.144 -8.946 0.219 1.00 4.48 C ATOM 74 CD2 TRP A 8 -1.808 -9.058 -1.578 1.00 4.29 C ATOM 75 NE1 TRP A 8 -3.882 -8.557 -0.878 1.00 4.57 N ATOM 76 CE2 TRP A 8 -3.083 -8.621 -1.991 1.00 4.64 C ATOM 77 CE3 TRP A 8 -0.801 -9.191 -2.541 1.00 5.12 C ATOM 78 CZ2 TRP A 8 -3.361 -8.299 -3.325 1.00 5.69 C ATOM 79 CZ3 TRP A 8 -1.084 -8.874 -3.845 1.00 6.77 C ATOM 80 CH2 TRP A 8 -2.347 -8.442 -4.231 1.00 7.32 C ATOM 81 HE1 TRP A 8 -4.880 -8.264 -0.864 1.00 0.00 H ATOM 82 H TRP A 8 -2.188 -11.421 2.488 1.00 0.00 H ATOM 83 N LYS A 9 1.520 -12.094 1.608 1.00 3.70 N ATOM 84 CA LYS A 9 2.581 -12.496 2.514 1.00 2.99 C ATOM 85 C LYS A 9 3.805 -11.606 2.313 1.00 2.77 C ATOM 86 O LYS A 9 4.201 -11.335 1.183 1.00 3.30 O ATOM 87 CB LYS A 9 2.924 -13.963 2.229 1.00 7.92 C ATOM 88 CG LYS A 9 3.875 -14.529 3.135 1.00 10.38 C ATOM 89 CD LYS A 9 3.823 -16.037 3.037 1.00 10.25 C ATOM 90 CE LYS A 9 4.700 -16.577 4.059 1.00 10.03 C ATOM 91 NZ LYS A 9 4.566 -18.022 4.172 1.00 7.84 N ATOM 92 HZ1 LYS A 9 3.585 -18.259 4.422 1.00 0.00 H ATOM 93 HZ2 LYS A 9 4.810 -18.464 3.263 1.00 0.00 H ATOM 94 HZ3 LYS A 9 5.208 -18.372 4.912 1.00 0.00 H ATOM 95 H LYS A 9 1.624 -12.298 0.594 1.00 0.00 H ATOM 96 N MET A 10 4.414 -11.141 3.406 1.00 3.17 N ATOM 97 CA MET A 10 5.549 -10.234 3.279 1.00 4.43 C ATOM 98 C MET A 10 6.732 -10.888 2.562 1.00 3.82 C ATOM 99 O MET A 10 7.203 -11.961 2.951 1.00 5.40 O ATOM 100 CB MET A 10 6.000 -9.775 4.664 1.00 5.32 C ATOM 101 CG MET A 10 7.214 -8.825 4.597 1.00 6.94 C ATOM 102 SD MET A 10 7.517 -8.007 6.146 1.00 7.05 S ATOM 103 CE MET A 10 6.351 -6.657 6.007 1.00 8.30 C ATOM 104 H MET A 10 4.079 -11.426 4.349 1.00 0.00 H ATOM 105 N LEU A 11 7.250 -10.200 1.556 1.00 2.91 N ATOM 106 CA LEU A 11 8.468 -10.593 0.850 1.00 3.41 C ATOM 107 C LEU A 11 9.662 -9.748 1.287 1.00 4.31 C ATOM 108 O LEU A 11 10.726 -10.306 1.590 1.00 4.57 O ATOM 109 CB LEU A 11 8.262 -10.471 -0.665 1.00 3.82 C ATOM 110 CG LEU A 11 9.383 -11.025 -1.523 1.00 4.98 C ATOM 111 CD1 LEU A 11 9.343 -12.557 -1.528 1.00 5.79 C ATOM 112 CD2 LEU A 11 9.327 -10.487 -2.909 1.00 7.19 C ATOM 113 H LEU A 11 6.764 -9.333 1.252 1.00 0.00 H ATOM 114 N VAL A 12 9.515 -8.422 1.301 1.00 3.51 N ATOM 115 CA VAL A 12 10.588 -7.523 1.708 1.00 4.28 C ATOM 116 C VAL A 12 10.022 -6.407 2.572 1.00 4.79 C ATOM 117 O VAL A 12 8.846 -6.048 2.469 1.00 5.68 O ATOM 118 CB VAL A 12 11.377 -6.923 0.529 1.00 5.85 C ATOM 119 CG1 VAL A 12 12.123 -8.002 -0.225 1.00 6.24 C ATOM 120 CG2 VAL A 12 10.477 -6.145 -0.411 1.00 9.30 C ATOM 121 H VAL A 12 8.603 -8.015 1.011 1.00 0.00 H ATOM 122 N ASN A 13 10.881 -5.879 3.454 1.00 4.88 N ATOM 123 CA ASN A 13 10.509 -4.848 4.422 1.00 4.69 C ATOM 124 C ASN A 13 11.747 -3.968 4.603 1.00 3.66 C ATOM 125 O ASN A 13 12.651 -4.337 5.341 1.00 3.96 O ATOM 126 CB ASN A 13 10.086 -5.505 5.729 1.00 5.96 C ATOM 127 CG ASN A 13 9.534 -4.519 6.732 1.00 6.22 C ATOM 128 OD1 ASN A 13 9.319 -3.351 6.407 1.00 6.22 O ATOM 129 ND2 ASN A 13 9.293 -4.987 7.968 1.00 8.56 N ATOM 130 HD22 ASN A 13 9.491 -5.982 8.195 1.00 0.00 H ATOM 131 HD21 ASN A 13 8.908 -4.354 8.698 1.00 0.00 H ATOM 132 H ASN A 13 11.863 -6.220 3.450 1.00 0.00 H ATOM 133 N GLU A 14 11.793 -2.858 3.887 1.00 4.01 N ATOM 134 CA GLU A 14 12.997 -2.061 3.744 1.00 4.55 C ATOM 135 C GLU A 14 12.903 -0.807 4.605 1.00 4.01 C ATOM 136 O GLU A 14 11.940 -0.037 4.491 1.00 3.78 O ATOM 137 CB GLU A 14 13.151 -1.682 2.272 1.00 6.20 C ATOM 138 CG GLU A 14 14.308 -0.787 1.927 1.00 8.14 C ATOM 139 CD GLU A 14 14.410 -0.605 0.429 1.00 9.09 C ATOM 140 OE1 GLU A 14 15.522 -0.528 -0.065 1.00 8.66 O ATOM 141 OE2 GLU A 14 13.367 -0.551 -0.267 1.00 10.88 O ATOM 142 H GLU A 14 10.928 -2.542 3.405 1.00 0.00 H ATOM 143 N ASN A 15 13.906 -0.612 5.476 1.00 4.15 N ATOM 144 CA ASN A 15 14.033 0.587 6.311 1.00 3.83 C ATOM 145 C ASN A 15 12.962 0.707 7.398 1.00 5.09 C ATOM 146 O ASN A 15 12.623 1.817 7.819 1.00 5.43 O ATOM 147 CB ASN A 15 14.122 1.856 5.467 1.00 4.33 C ATOM 148 CG ASN A 15 14.830 2.969 6.183 1.00 5.34 C ATOM 149 OD1 ASN A 15 15.757 2.750 6.958 1.00 6.47 O ATOM 150 ND2 ASN A 15 14.428 4.181 5.897 1.00 6.52 N ATOM 151 HD22 ASN A 15 13.639 4.324 5.235 1.00 0.00 H ATOM 152 HD21 ASN A 15 14.898 5.001 6.332 1.00 0.00 H ATOM 153 H ASN A 15 14.632 -1.351 5.563 1.00 0.00 H ATOM 154 N PHE A 16 12.448 -0.431 7.885 1.00 4.58 N ATOM 155 CA PHE A 16 11.387 -0.435 8.887 1.00 5.40 C ATOM 156 C PHE A 16 11.859 0.133 10.216 1.00 5.51 C ATOM 157 O PHE A 16 11.107 0.867 10.872 1.00 5.27 O ATOM 158 CB PHE A 16 10.877 -1.869 9.032 1.00 6.10 C ATOM 159 CG PHE A 16 9.593 -2.038 9.822 1.00 8.14 C ATOM 160 CD1 PHE A 16 8.477 -1.263 9.577 1.00 8.76 C ATOM 161 CD2 PHE A 16 9.499 -3.074 10.737 1.00 8.91 C ATOM 162 CE1 PHE A 16 7.292 -1.510 10.281 1.00 9.71 C ATOM 163 CE2 PHE A 16 8.331 -3.323 11.421 1.00 11.45 C ATOM 164 CZ PHE A 16 7.232 -2.543 11.194 1.00 11.64 C ATOM 165 H PHE A 16 12.817 -1.339 7.538 1.00 0.00 H ATOM 166 N GLU A 17 13.105 -0.163 10.617 1.00 6.20 N ATOM 167 CA GLU A 17 13.608 0.306 11.907 1.00 7.75 C ATOM 168 C GLU A 17 13.590 1.828 11.976 1.00 7.35 C ATOM 169 O GLU A 17 13.160 2.405 12.976 1.00 7.77 O ATOM 170 CB GLU A 17 15.027 -0.242 12.163 1.00 10.82 C ATOM 171 CG GLU A 17 15.811 0.442 13.298 1.00 13.87 C ATOM 172 CD GLU A 17 15.255 0.177 14.697 1.00 18.21 C ATOM 173 OE1 GLU A 17 14.368 -0.685 14.843 1.00 21.24 O ATOM 174 OE2 GLU A 17 15.719 0.835 15.659 1.00 19.01 O ATOM 175 H GLU A 17 13.720 -0.733 10.002 1.00 0.00 H ATOM 176 N GLU A 18 14.085 2.497 10.932 1.00 7.42 N ATOM 177 CA GLU A 18 14.123 3.955 10.964 1.00 7.89 C ATOM 178 C GLU A 18 12.721 4.551 10.927 1.00 6.07 C ATOM 179 O GLU A 18 12.466 5.573 11.566 1.00 5.33 O ATOM 180 CB GLU A 18 14.978 4.492 9.810 1.00 10.30 C ATOM 181 CG GLU A 18 16.468 4.321 10.034 1.00 15.23 C ATOM 182 CD GLU A 18 16.933 5.015 11.306 1.00 21.90 C ATOM 183 OE1 GLU A 18 17.535 4.344 12.168 1.00 26.57 O ATOM 184 OE2 GLU A 18 16.635 6.214 11.475 1.00 22.47 O ATOM 185 H GLU A 18 14.441 1.982 10.102 1.00 0.00 H ATOM 186 N TYR A 19 11.797 3.919 10.211 1.00 4.58 N ATOM 187 CA TYR A 19 10.404 4.344 10.236 1.00 5.21 C ATOM 188 C TYR A 19 9.837 4.263 11.652 1.00 5.62 C ATOM 189 O TYR A 19 9.251 5.238 12.155 1.00 4.98 O ATOM 190 CB TYR A 19 9.610 3.508 9.228 1.00 5.24 C ATOM 191 CG TYR A 19 8.124 3.752 9.265 1.00 3.92 C ATOM 192 CD1 TYR A 19 7.547 4.818 8.579 1.00 5.08 C ATOM 193 CD2 TYR A 19 7.283 2.915 9.990 1.00 5.52 C ATOM 194 CE1 TYR A 19 6.186 5.047 8.635 1.00 4.96 C ATOM 195 CE2 TYR A 19 5.926 3.133 10.043 1.00 5.73 C ATOM 196 CZ TYR A 19 5.378 4.200 9.354 1.00 4.68 C ATOM 197 OH TYR A 19 4.017 4.417 9.420 1.00 6.09 O ATOM 198 HH TYR A 19 3.784 5.212 8.878 1.00 0.00 H ATOM 199 H TYR A 19 12.073 3.107 9.623 1.00 0.00 H ATOM 200 N LEU A 20 10.035 3.133 12.327 1.00 5.22 N ATOM 201 CA LEU A 20 9.545 2.987 13.699 1.00 5.88 C ATOM 202 C LEU A 20 10.230 3.951 14.653 1.00 6.46 C ATOM 203 O LEU A 20 9.590 4.485 15.576 1.00 6.22 O ATOM 204 CB LEU A 20 9.706 1.547 14.182 1.00 5.96 C ATOM 205 CG LEU A 20 8.891 0.500 13.430 1.00 7.40 C ATOM 206 CD1 LEU A 20 9.134 -0.837 14.090 1.00 8.11 C ATOM 207 CD2 LEU A 20 7.407 0.826 13.399 1.00 7.41 C ATOM 208 H LEU A 20 10.543 2.346 11.875 1.00 0.00 H ATOM 209 N ARG A 21 11.532 4.184 14.462 1.00 6.34 N ATOM 210 CA ARG A 21 12.215 5.134 15.334 1.00 6.65 C ATOM 211 C ARG A 21 11.639 6.536 15.170 1.00 6.22 C ATOM 212 O ARG A 21 11.490 7.275 16.148 1.00 7.66 O ATOM 213 CB ARG A 21 13.714 5.136 15.074 1.00 8.40 C ATOM 214 CG ARG A 21 14.469 5.846 16.190 1.00 11.65 C ATOM 215 CD ARG A 21 15.930 5.572 16.109 1.00 15.97 C ATOM 216 NE ARG A 21 16.461 6.130 14.883 1.00 19.99 N ATOM 217 CZ ARG A 21 16.797 7.404 14.727 1.00 23.55 C ATOM 218 NH1 ARG A 21 16.664 8.267 15.727 1.00 23.65 N ATOM 219 NH2 ARG A 21 17.265 7.817 13.560 1.00 25.02 N ATOM 220 HE ARG A 21 16.587 5.491 14.072 1.00 0.00 H ATOM 221 HH12 ARG A 21 16.931 9.263 15.593 1.00 0.00 H ATOM 222 HH11 ARG A 21 16.293 7.947 16.644 1.00 0.00 H ATOM 223 HH22 ARG A 21 17.531 8.814 13.430 1.00 0.00 H ATOM 224 HH21 ARG A 21 17.367 7.145 12.773 1.00 0.00 H ATOM 225 H ARG A 21 12.050 3.696 13.704 1.00 0.00 H ATOM 226 N ALA A 22 11.274 6.902 13.942 1.00 6.18 N ATOM 227 CA ALA A 22 10.710 8.215 13.691 1.00 7.14 C ATOM 228 C ALA A 22 9.320 8.345 14.301 1.00 7.73 C ATOM 229 O ALA A 22 8.866 9.464 14.571 1.00 8.88 O ATOM 230 CB ALA A 22 10.668 8.508 12.191 1.00 8.50 C ATOM 231 H ALA A 22 11.395 6.237 13.152 1.00 0.00 H ATOM 232 N LEU A 23 8.638 7.232 14.553 1.00 7.22 N ATOM 233 CA LEU A 23 7.379 7.225 15.290 1.00 6.50 C ATOM 234 C LEU A 23 7.562 7.152 16.796 1.00 7.06 C ATOM 235 O LEU A 23 6.565 7.158 17.527 1.00 8.30 O ATOM 236 CB LEU A 23 6.514 6.051 14.852 1.00 6.75 C ATOM 237 CG LEU A 23 6.041 6.062 13.405 1.00 6.46 C ATOM 238 CD1 LEU A 23 5.189 4.825 13.138 1.00 6.81 C ATOM 239 CD2 LEU A 23 5.272 7.306 13.087 1.00 7.19 C ATOM 240 H LEU A 23 9.019 6.327 14.210 1.00 0.00 H ATOM 241 N ASP A 24 8.800 7.115 17.277 1.00 7.77 N ATOM 242 CA ASP A 24 9.088 6.973 18.710 1.00 9.05 C ATOM 243 C ASP A 24 8.546 5.674 19.278 1.00 10.01 C ATOM 244 O ASP A 24 8.172 5.598 20.455 1.00 12.37 O ATOM 245 CB ASP A 24 8.533 8.148 19.508 1.00 10.41 C ATOM 246 CG ASP A 24 8.931 9.465 18.935 1.00 10.45 C ATOM 247 OD1 ASP A 24 10.145 9.727 18.815 1.00 10.84 O ATOM 248 OD2 ASP A 24 8.019 10.224 18.586 1.00 10.15 O ATOM 249 H ASP A 24 9.596 7.190 16.612 1.00 0.00 H ATOM 250 N VAL A 25 8.488 4.633 18.469 1.00 10.24 N ATOM 251 CA VAL A 25 8.150 3.329 18.995 1.00 10.68 C ATOM 252 C VAL A 25 9.285 2.912 19.909 1.00 11.04 C ATOM 253 O VAL A 25 10.469 3.049 19.561 1.00 10.67 O ATOM 254 CB VAL A 25 7.942 2.330 17.846 1.00 8.42 C ATOM 255 CG1 VAL A 25 7.750 0.894 18.384 1.00 8.47 C ATOM 256 CG2 VAL A 25 6.760 2.747 16.987 1.00 9.67 C ATOM 257 H VAL A 25 8.685 4.750 17.455 1.00 0.00 H ATOM 258 N ASN A 26 8.928 2.395 21.075 1.00 11.97 N ATOM 259 CA ASN A 26 9.920 2.124 22.093 1.00 12.99 C ATOM 260 C ASN A 26 10.883 1.023 21.660 1.00 13.14 C ATOM 261 O ASN A 26 10.565 0.156 20.837 1.00 12.20 O ATOM 262 CB ASN A 26 9.268 1.787 23.443 1.00 15.66 C ATOM 263 CG ASN A 26 8.646 0.405 23.488 1.00 17.96 C ATOM 264 OD1 ASN A 26 9.349 -0.600 23.594 1.00 19.35 O ATOM 265 ND2 ASN A 26 7.326 0.350 23.454 1.00 18.63 N ATOM 266 HD22 ASN A 26 6.771 1.225 23.363 1.00 0.00 H ATOM 267 HD21 ASN A 26 6.842 -0.568 23.518 1.00 0.00 H ATOM 268 H ASN A 26 7.927 2.182 21.260 1.00 0.00 H ATOM 269 N VAL A 27 12.082 1.082 22.229 1.00 13.28 N ATOM 270 CA VAL A 27 13.203 0.243 21.794 1.00 14.58 C ATOM 271 C VAL A 27 12.856 -1.240 21.874 1.00 13.19 C ATOM 272 O VAL A 27 13.199 -2.025 20.974 1.00 13.24 O ATOM 273 CB VAL A 27 14.463 0.587 22.613 1.00 17.91 C ATOM 274 CG1 VAL A 27 14.194 0.434 24.106 1.00 19.20 C ATOM 275 CG2 VAL A 27 15.632 -0.280 22.195 1.00 19.19 C ATOM 276 H VAL A 27 12.231 1.749 23.013 1.00 0.00 H ATOM 277 N ALA A 28 12.214 -1.662 22.963 1.00 13.50 N ATOM 278 CA ALA A 28 11.937 -3.084 23.137 1.00 13.85 C ATOM 279 C ALA A 28 10.935 -3.566 22.096 1.00 11.99 C ATOM 280 O ALA A 28 11.061 -4.673 21.557 1.00 10.42 O ATOM 281 CB ALA A 28 11.453 -3.346 24.560 1.00 14.91 C ATOM 282 H ALA A 28 11.911 -0.980 23.687 1.00 0.00 H ATOM 283 N LEU A 29 9.949 -2.732 21.776 1.00 11.55 N ATOM 284 CA LEU A 29 8.987 -3.095 20.748 1.00 11.46 C ATOM 285 C LEU A 29 9.627 -3.076 19.365 1.00 10.43 C ATOM 286 O LEU A 29 9.298 -3.917 18.530 1.00 8.85 O ATOM 287 CB LEU A 29 7.776 -2.172 20.819 1.00 11.63 C ATOM 288 CG LEU A 29 6.611 -2.442 19.874 1.00 13.16 C ATOM 289 CD1 LEU A 29 6.126 -3.883 19.981 1.00 13.94 C ATOM 290 CD2 LEU A 29 5.471 -1.480 20.173 1.00 14.09 C ATOM 291 H LEU A 29 9.866 -1.817 22.263 1.00 0.00 H ATOM 292 N ARG A 30 10.534 -2.136 19.099 1.00 9.38 N ATOM 293 CA ARG A 30 11.248 -2.152 17.824 1.00 9.89 C ATOM 294 C ARG A 30 12.025 -3.449 17.660 1.00 9.66 C ATOM 295 O ARG A 30 12.077 -4.013 16.561 1.00 9.64 O ATOM 296 CB ARG A 30 12.168 -0.934 17.679 1.00 10.43 C ATOM 297 CG ARG A 30 11.421 0.392 17.605 1.00 11.14 C ATOM 298 CD ARG A 30 12.224 1.465 16.918 1.00 11.96 C ATOM 299 NE ARG A 30 13.598 1.581 17.412 1.00 14.06 N ATOM 300 CZ ARG A 30 13.975 2.392 18.397 1.00 17.78 C ATOM 301 NH1 ARG A 30 13.087 3.147 19.043 1.00 19.54 N ATOM 302 NH2 ARG A 30 15.249 2.440 18.755 1.00 19.53 N ATOM 303 HE ARG A 30 14.327 0.990 16.963 1.00 0.00 H ATOM 304 HH12 ARG A 30 13.399 3.775 19.811 1.00 0.00 H ATOM 305 HH11 ARG A 30 12.082 3.108 18.780 1.00 0.00 H ATOM 306 HH22 ARG A 30 15.550 3.072 19.524 1.00 0.00 H ATOM 307 HH21 ARG A 30 15.949 1.846 18.267 1.00 0.00 H ATOM 308 H ARG A 30 10.733 -1.392 19.798 1.00 0.00 H ATOM 309 N LYS A 31 12.618 -3.951 18.747 1.00 10.72 N ATOM 310 CA LYS A 31 13.361 -5.202 18.676 1.00 12.00 C ATOM 311 C LYS A 31 12.450 -6.361 18.298 1.00 11.23 C ATOM 312 O LYS A 31 12.792 -7.178 17.436 1.00 12.13 O ATOM 313 CB LYS A 31 14.033 -5.454 20.027 1.00 15.07 C ATOM 314 CG LYS A 31 14.905 -6.690 20.054 1.00 18.64 C ATOM 315 CD LYS A 31 15.525 -6.889 21.417 1.00 23.24 C ATOM 316 CE LYS A 31 16.267 -8.219 21.496 1.00 27.64 C ATOM 317 NZ LYS A 31 16.603 -8.546 22.913 1.00 30.96 N ATOM 318 HZ1 LYS A 31 17.208 -7.797 23.306 1.00 0.00 H ATOM 319 HZ2 LYS A 31 15.727 -8.614 23.469 1.00 0.00 H ATOM 320 HZ3 LYS A 31 17.108 -9.455 22.947 1.00 0.00 H ATOM 321 H LYS A 31 12.548 -3.444 19.652 1.00 0.00 H ATOM 322 N ILE A 32 11.280 -6.445 18.935 1.00 9.09 N ATOM 323 CA ILE A 32 10.288 -7.450 18.564 1.00 8.64 C ATOM 324 C ILE A 32 9.862 -7.266 17.102 1.00 9.45 C ATOM 325 O ILE A 32 9.822 -8.224 16.311 1.00 10.09 O ATOM 326 CB ILE A 32 9.088 -7.369 19.533 1.00 10.36 C ATOM 327 CG1 ILE A 32 9.502 -7.713 20.972 1.00 11.21 C ATOM 328 CG2 ILE A 32 7.950 -8.276 19.047 1.00 12.71 C ATOM 329 CD1 ILE A 32 8.482 -7.322 22.024 1.00 11.86 C ATOM 330 H ILE A 32 11.071 -5.783 19.709 1.00 0.00 H ATOM 331 N ALA A 33 9.517 -6.030 16.727 1.00 8.31 N ATOM 332 CA ALA A 33 8.892 -5.773 15.432 1.00 9.89 C ATOM 333 C ALA A 33 9.825 -6.095 14.280 1.00 11.60 C ATOM 334 O ALA A 33 9.371 -6.508 13.207 1.00 13.00 O ATOM 335 CB ALA A 33 8.456 -4.316 15.335 1.00 11.15 C ATOM 336 H ALA A 33 9.698 -5.234 17.371 1.00 0.00 H ATOM 337 N ASN A 34 11.122 -5.879 14.459 1.00 14.16 N ATOM 338 CA ASN A 34 12.011 -6.152 13.351 1.00 16.88 C ATOM 339 C ASN A 34 12.167 -7.638 13.057 1.00 16.41 C ATOM 340 O ASN A 34 12.671 -7.982 11.987 1.00 19.57 O ATOM 341 CB ASN A 34 13.348 -5.464 13.587 1.00 18.67 C ATOM 342 CG ASN A 34 13.311 -3.995 13.169 1.00 21.34 C ATOM 343 OD1 ASN A 34 13.299 -3.691 11.967 1.00 21.46 O ATOM 344 ND2 ASN A 34 13.253 -3.078 14.153 1.00 22.70 N ATOM 345 HD22 ASN A 34 13.266 -3.381 15.148 1.00 0.00 H ATOM 346 HD21 ASN A 34 13.195 -2.066 13.918 1.00 0.00 H ATOM 347 H ASN A 34 11.487 -5.525 15.366 1.00 0.00 H ATOM 348 N LEU A 35 11.755 -8.524 13.958 1.00 14.80 N ATOM 349 CA LEU A 35 11.762 -9.950 13.662 1.00 14.86 C ATOM 350 C LEU A 35 10.482 -10.406 12.972 1.00 12.69 C ATOM 351 O LEU A 35 10.422 -11.536 12.471 1.00 14.84 O ATOM 352 CB LEU A 35 11.951 -10.748 14.951 1.00 16.25 C ATOM 353 CG LEU A 35 13.265 -10.460 15.667 1.00 17.61 C ATOM 354 CD1 LEU A 35 13.295 -11.181 16.999 1.00 17.76 C ATOM 355 CD2 LEU A 35 14.467 -10.845 14.793 1.00 18.46 C ATOM 356 H LEU A 35 11.423 -8.195 14.887 1.00 0.00 H ATOM 357 N LEU A 36 9.465 -9.564 12.916 1.00 10.89 N ATOM 358 CA LEU A 36 8.164 -9.990 12.412 1.00 9.35 C ATOM 359 C LEU A 36 8.111 -9.849 10.897 1.00 11.17 C ATOM 360 O LEU A 36 8.838 -9.054 10.293 1.00 14.95 O ATOM 361 CB LEU A 36 7.064 -9.157 13.053 1.00 8.87 C ATOM 362 CG LEU A 36 7.002 -9.217 14.592 1.00 8.64 C ATOM 363 CD1 LEU A 36 5.940 -8.271 15.074 1.00 9.01 C ATOM 364 CD2 LEU A 36 6.722 -10.614 15.083 1.00 9.71 C ATOM 365 H LEU A 36 9.594 -8.583 13.236 1.00 0.00 H ATOM 366 N LYS A 37 7.267 -10.662 10.288 1.00 9.47 N ATOM 367 CA LYS A 37 7.004 -10.614 8.847 1.00 8.89 C ATOM 368 C LYS A 37 5.491 -10.657 8.664 1.00 9.64 C ATOM 369 O LYS A 37 4.918 -11.690 8.330 1.00 9.87 O ATOM 370 CB LYS A 37 7.705 -11.763 8.138 1.00 10.02 C ATOM 371 CG LYS A 37 9.242 -11.632 8.177 1.00 12.89 C ATOM 372 CD LYS A 37 9.942 -12.846 7.608 1.00 17.53 C ATOM 373 CE LYS A 37 9.908 -14.020 8.583 1.00 20.75 C ATOM 374 NZ LYS A 37 10.877 -15.085 8.199 1.00 22.90 N ATOM 375 HZ1 LYS A 37 10.642 -15.440 7.250 1.00 0.00 H ATOM 376 HZ2 LYS A 37 11.839 -14.691 8.194 1.00 0.00 H ATOM 377 HZ3 LYS A 37 10.824 -15.864 8.885 1.00 0.00 H ATOM 378 H LYS A 37 6.764 -11.371 10.859 1.00 0.00 H ATOM 379 N PRO A 38 4.808 -9.547 8.890 1.00 11.24 N ATOM 380 CA PRO A 38 3.336 -9.582 8.879 1.00 10.54 C ATOM 381 C PRO A 38 2.727 -9.920 7.524 1.00 12.11 C ATOM 382 O PRO A 38 3.284 -9.602 6.467 1.00 14.09 O ATOM 383 CB PRO A 38 2.945 -8.168 9.315 1.00 12.82 C ATOM 384 CG PRO A 38 4.117 -7.339 8.998 1.00 15.42 C ATOM 385 CD PRO A 38 5.328 -8.224 9.234 1.00 13.31 C ATOM 386 N ASP A 39 1.585 -10.603 7.581 1.00 11.65 N ATOM 387 CA ASP A 39 0.705 -10.799 6.435 1.00 10.31 C ATOM 388 C ASP A 39 -0.275 -9.607 6.347 1.00 10.14 C ATOM 389 O ASP A 39 -0.494 -8.859 7.313 1.00 11.30 O ATOM 390 CB ASP A 39 -0.162 -12.082 6.578 1.00 12.17 C ATOM 391 CG ASP A 39 0.626 -13.409 6.631 1.00 15.74 C ATOM 392 OD1 ASP A 39 1.739 -13.468 6.120 1.00 15.35 O ATOM 393 OD2 ASP A 39 0.058 -14.425 7.143 1.00 18.48 O ATOM 394 H ASP A 39 1.306 -11.019 8.492 1.00 0.00 H ATOM 395 N LYS A 40 -0.907 -9.458 5.186 1.00 7.05 N ATOM 396 CA LYS A 40 -2.041 -8.550 5.025 1.00 6.16 C ATOM 397 C LYS A 40 -3.236 -9.348 4.526 1.00 4.45 C ATOM 398 O LYS A 40 -3.144 -10.052 3.509 1.00 5.35 O ATOM 399 CB LYS A 40 -1.770 -7.442 3.993 1.00 8.26 C ATOM 400 CG LYS A 40 -0.541 -6.562 4.224 1.00 11.35 C ATOM 401 CD LYS A 40 -0.826 -5.367 5.012 1.00 11.42 C ATOM 402 CE LYS A 40 0.411 -4.487 5.208 1.00 9.11 C ATOM 403 NZ LYS A 40 -0.044 -3.365 5.994 1.00 7.94 N ATOM 404 HZ1 LYS A 40 -0.793 -2.862 5.477 1.00 0.00 H ATOM 405 HZ2 LYS A 40 -0.418 -3.708 6.902 1.00 0.00 H ATOM 406 HZ3 LYS A 40 0.752 -2.719 6.167 1.00 0.00 H ATOM 407 H LYS A 40 -0.583 -10.007 4.364 1.00 0.00 H ATOM 408 N GLU A 41 -4.366 -9.218 5.208 1.00 4.53 N ATOM 409 CA GLU A 41 -5.626 -9.740 4.707 1.00 4.11 C ATOM 410 C GLU A 41 -6.492 -8.525 4.403 1.00 3.27 C ATOM 411 O GLU A 41 -6.830 -7.750 5.313 1.00 3.88 O ATOM 412 CB GLU A 41 -6.339 -10.656 5.700 1.00 6.56 C ATOM 413 CG GLU A 41 -7.638 -11.206 5.110 1.00 9.66 C ATOM 414 CD GLU A 41 -8.464 -11.973 6.120 1.00 11.39 C ATOM 415 OE1 GLU A 41 -9.346 -11.384 6.787 1.00 11.36 O ATOM 416 OE2 GLU A 41 -8.240 -13.184 6.267 1.00 12.10 O ATOM 417 H GLU A 41 -4.350 -8.729 6.126 1.00 0.00 H ATOM 418 N ILE A 42 -6.839 -8.351 3.135 1.00 3.03 N ATOM 419 CA ILE A 42 -7.583 -7.182 2.698 1.00 2.82 C ATOM 420 C ILE A 42 -8.909 -7.612 2.090 1.00 2.99 C ATOM 421 O ILE A 42 -8.962 -8.527 1.258 1.00 3.21 O ATOM 422 CB ILE A 42 -6.761 -6.382 1.677 1.00 3.24 C ATOM 423 CG1 ILE A 42 -5.438 -5.941 2.307 1.00 3.40 C ATOM 424 CG2 ILE A 42 -7.562 -5.188 1.157 1.00 3.95 C ATOM 425 CD1 ILE A 42 -4.485 -5.224 1.365 1.00 4.33 C ATOM 426 H ILE A 42 -6.571 -9.071 2.434 1.00 0.00 H ATOM 427 N VAL A 43 -9.966 -6.889 2.442 1.00 3.14 N ATOM 428 CA VAL A 43 -11.246 -6.976 1.757 1.00 3.12 C ATOM 429 C VAL A 43 -11.619 -5.574 1.295 1.00 2.27 C ATOM 430 O VAL A 43 -11.848 -4.673 2.121 1.00 2.98 O ATOM 431 CB VAL A 43 -12.348 -7.593 2.630 1.00 4.71 C ATOM 432 CG1 VAL A 43 -13.643 -7.698 1.825 1.00 5.39 C ATOM 433 CG2 VAL A 43 -11.914 -8.958 3.183 1.00 5.63 C ATOM 434 H VAL A 43 -9.874 -6.232 3.243 1.00 0.00 H ATOM 435 N GLN A 44 -11.711 -5.396 -0.016 1.00 3.22 N ATOM 436 CA GLN A 44 -12.193 -4.170 -0.631 1.00 3.90 C ATOM 437 C GLN A 44 -13.631 -4.431 -1.031 1.00 4.50 C ATOM 438 O GLN A 44 -13.890 -5.293 -1.861 1.00 6.03 O ATOM 439 CB GLN A 44 -11.319 -3.844 -1.843 1.00 3.97 C ATOM 440 CG GLN A 44 -11.711 -2.603 -2.611 1.00 4.59 C ATOM 441 CD GLN A 44 -10.738 -2.354 -3.722 1.00 5.40 C ATOM 442 OE1 GLN A 44 -9.526 -2.507 -3.531 1.00 5.05 O ATOM 443 NE2 GLN A 44 -11.255 -1.987 -4.901 1.00 7.69 N ATOM 444 HE22 GLN A 44 -12.284 -1.873 -5.005 1.00 0.00 H ATOM 445 HE21 GLN A 44 -10.628 -1.816 -5.713 1.00 0.00 H ATOM 446 H GLN A 44 -11.422 -6.177 -0.639 1.00 0.00 H ATOM 447 N ASP A 45 -14.557 -3.696 -0.431 1.00 3.82 N ATOM 448 CA ASP A 45 -15.993 -3.949 -0.555 1.00 3.74 C ATOM 449 C ASP A 45 -16.628 -2.627 -0.945 1.00 4.10 C ATOM 450 O ASP A 45 -16.993 -1.837 -0.079 1.00 3.93 O ATOM 451 CB ASP A 45 -16.493 -4.472 0.791 1.00 3.96 C ATOM 452 CG ASP A 45 -17.937 -4.953 0.759 1.00 4.23 C ATOM 453 OD1 ASP A 45 -18.513 -5.076 -0.342 1.00 4.95 O ATOM 454 OD2 ASP A 45 -18.475 -5.228 1.863 1.00 3.77 O ATOM 455 H ASP A 45 -14.247 -2.898 0.159 1.00 0.00 H ATOM 456 N GLY A 46 -16.698 -2.351 -2.242 1.00 5.90 N ATOM 457 CA GLY A 46 -17.031 -1.008 -2.663 1.00 6.51 C ATOM 458 C GLY A 46 -15.933 -0.081 -2.190 1.00 7.27 C ATOM 459 O GLY A 46 -14.743 -0.340 -2.393 1.00 9.99 O ATOM 460 H GLY A 46 -16.515 -3.093 -2.948 1.00 0.00 H ATOM 461 N ASP A 47 -16.308 1.003 -1.529 1.00 6.92 N ATOM 462 CA ASP A 47 -15.300 1.892 -0.955 1.00 7.99 C ATOM 463 C ASP A 47 -15.083 1.642 0.522 1.00 6.38 C ATOM 464 O ASP A 47 -14.395 2.428 1.180 1.00 6.83 O ATOM 465 CB ASP A 47 -15.631 3.363 -1.215 1.00 13.14 C ATOM 466 CG ASP A 47 -15.024 3.883 -2.537 1.00 19.46 C ATOM 467 OD1 ASP A 47 -14.164 3.198 -3.148 1.00 21.35 O ATOM 468 OD2 ASP A 47 -15.380 4.999 -2.948 1.00 23.17 O ATOM 469 H ASP A 47 -17.319 1.222 -1.418 1.00 0.00 H ATOM 470 N HIS A 48 -15.613 0.549 1.039 1.00 4.85 N ATOM 471 CA HIS A 48 -15.324 0.109 2.397 1.00 4.14 C ATOM 472 C HIS A 48 -14.112 -0.809 2.343 1.00 3.84 C ATOM 473 O HIS A 48 -14.172 -1.907 1.759 1.00 4.79 O ATOM 474 CB HIS A 48 -16.537 -0.637 2.950 1.00 3.86 C ATOM 475 CG HIS A 48 -16.342 -1.225 4.309 1.00 4.64 C ATOM 476 ND1 HIS A 48 -17.168 -2.217 4.794 1.00 5.98 N ATOM 477 CD2 HIS A 48 -15.451 -0.961 5.292 1.00 5.64 C ATOM 478 CE1 HIS A 48 -16.776 -2.554 6.014 1.00 6.99 C ATOM 479 NE2 HIS A 48 -15.744 -1.795 6.342 1.00 6.45 N ATOM 480 H HIS A 48 -16.260 -0.018 0.455 1.00 0.00 H ATOM 481 N MET A 49 -13.028 -0.380 2.966 1.00 3.50 N ATOM 482 CA MET A 49 -11.769 -1.105 2.948 1.00 3.99 C ATOM 483 C MET A 49 -11.486 -1.649 4.345 1.00 3.60 C ATOM 484 O MET A 49 -11.560 -0.914 5.338 1.00 4.46 O ATOM 485 CB MET A 49 -10.648 -0.161 2.488 1.00 6.73 C ATOM 486 CG MET A 49 -9.351 -0.819 2.157 1.00 9.18 C ATOM 487 SD MET A 49 -9.363 -1.692 0.583 1.00 9.25 S ATOM 488 CE MET A 49 -9.391 -0.362 -0.644 1.00 8.68 C ATOM 489 H MET A 49 -13.079 0.516 3.492 1.00 0.00 H ATOM 490 N ILE A 50 -11.138 -2.936 4.415 1.00 3.20 N ATOM 491 CA ILE A 50 -10.617 -3.556 5.631 1.00 3.69 C ATOM 492 C ILE A 50 -9.211 -4.042 5.296 1.00 3.21 C ATOM 493 O ILE A 50 -9.026 -4.812 4.346 1.00 4.08 O ATOM 494 CB ILE A 50 -11.500 -4.712 6.122 1.00 5.10 C ATOM 495 CG1 ILE A 50 -12.881 -4.187 6.495 1.00 7.17 C ATOM 496 CG2 ILE A 50 -10.824 -5.398 7.285 1.00 6.70 C ATOM 497 CD1 ILE A 50 -13.919 -5.291 6.665 1.00 9.40 C ATOM 498 H ILE A 50 -11.243 -3.525 3.564 1.00 0.00 H ATOM 499 N ILE A 51 -8.215 -3.583 6.051 1.00 2.76 N ATOM 500 CA ILE A 51 -6.823 -4.007 5.878 1.00 3.18 C ATOM 501 C ILE A 51 -6.375 -4.536 7.224 1.00 3.07 C ATOM 502 O ILE A 51 -6.191 -3.767 8.180 1.00 3.40 O ATOM 503 CB ILE A 51 -5.914 -2.866 5.410 1.00 4.58 C ATOM 504 CG1 ILE A 51 -6.416 -2.228 4.107 1.00 5.09 C ATOM 505 CG2 ILE A 51 -4.458 -3.383 5.266 1.00 4.70 C ATOM 506 CD1 ILE A 51 -5.664 -0.990 3.683 1.00 7.29 C ATOM 507 H ILE A 51 -8.435 -2.893 6.797 1.00 0.00 H ATOM 508 N ARG A 52 -6.237 -5.848 7.321 1.00 4.11 N ATOM 509 CA ARG A 52 -5.781 -6.495 8.549 1.00 4.09 C ATOM 510 C ARG A 52 -4.291 -6.775 8.396 1.00 3.94 C ATOM 511 O ARG A 52 -3.902 -7.595 7.569 1.00 5.74 O ATOM 512 CB ARG A 52 -6.578 -7.780 8.807 1.00 5.22 C ATOM 513 CG ARG A 52 -8.103 -7.556 8.912 1.00 5.33 C ATOM 514 CD ARG A 52 -8.956 -8.849 9.073 1.00 7.11 C ATOM 515 NE ARG A 52 -10.372 -8.504 9.284 1.00 7.13 N ATOM 516 CZ ARG A 52 -11.396 -8.634 8.423 1.00 7.71 C ATOM 517 NH1 ARG A 52 -11.284 -9.171 7.211 1.00 7.82 N ATOM 518 NH2 ARG A 52 -12.586 -8.230 8.822 1.00 7.54 N ATOM 519 HE ARG A 52 -10.610 -8.110 10.217 1.00 0.00 H ATOM 520 HH12 ARG A 52 -12.118 -9.241 6.594 1.00 0.00 H ATOM 521 HH11 ARG A 52 -10.362 -9.521 6.880 1.00 0.00 H ATOM 522 HH22 ARG A 52 -13.404 -8.314 8.185 1.00 0.00 H ATOM 523 HH21 ARG A 52 -12.707 -7.828 9.773 1.00 0.00 H ATOM 524 H ARG A 52 -6.461 -6.439 6.495 1.00 0.00 H ATOM 525 N THR A 53 -3.465 -6.090 9.180 1.00 3.63 N ATOM 526 CA THR A 53 -2.028 -6.353 9.202 1.00 4.62 C ATOM 527 C THR A 53 -1.777 -7.332 10.344 1.00 4.51 C ATOM 528 O THR A 53 -1.985 -6.991 11.513 1.00 5.10 O ATOM 529 CB THR A 53 -1.223 -5.069 9.345 1.00 5.56 C ATOM 530 OG1 THR A 53 -1.545 -4.199 8.255 1.00 6.52 O ATOM 531 CG2 THR A 53 0.258 -5.385 9.288 1.00 5.49 C ATOM 532 HG1 THR A 53 -2.513 -3.993 8.274 1.00 0.00 H ATOM 533 H THR A 53 -3.852 -5.346 9.795 1.00 0.00 H ATOM 534 N LEU A 54 -1.427 -8.572 10.009 1.00 5.62 N ATOM 535 CA LEU A 54 -1.446 -9.671 10.959 1.00 5.82 C ATOM 536 C LEU A 54 -0.028 -10.160 11.196 1.00 6.99 C ATOM 537 O LEU A 54 0.702 -10.419 10.249 1.00 9.72 O ATOM 538 CB LEU A 54 -2.282 -10.824 10.407 1.00 7.37 C ATOM 539 CG LEU A 54 -3.726 -10.449 10.071 1.00 8.35 C ATOM 540 CD1 LEU A 54 -4.416 -11.572 9.320 1.00 12.25 C ATOM 541 CD2 LEU A 54 -4.495 -10.108 11.299 1.00 9.33 C ATOM 542 H LEU A 54 -1.129 -8.761 9.031 1.00 0.00 H ATOM 543 N SER A 55 0.351 -10.321 12.458 1.00 6.84 N ATOM 544 CA SER A 55 1.652 -10.886 12.769 1.00 6.31 C ATOM 545 C SER A 55 1.475 -11.841 13.935 1.00 6.31 C ATOM 546 O SER A 55 0.447 -11.849 14.606 1.00 7.16 O ATOM 547 CB SER A 55 2.708 -9.824 13.074 1.00 6.87 C ATOM 548 OG SER A 55 2.675 -9.438 14.419 1.00 6.81 O ATOM 549 HG SER A 55 1.783 -9.064 14.632 1.00 0.00 H ATOM 550 H SER A 55 -0.288 -10.041 13.229 1.00 0.00 H ATOM 551 N THR A 56 2.501 -12.651 14.186 1.00 7.23 N ATOM 552 CA THR A 56 2.411 -13.626 15.264 1.00 7.80 C ATOM 553 C THR A 56 2.313 -12.944 16.614 1.00 7.36 C ATOM 554 O THR A 56 1.741 -13.518 17.552 1.00 7.45 O ATOM 555 CB THR A 56 3.620 -14.563 15.245 1.00 9.72 C ATOM 556 OG1 THR A 56 4.815 -13.779 15.311 1.00 10.09 O ATOM 557 CG2 THR A 56 3.614 -15.431 13.991 1.00 10.76 C ATOM 558 HG1 THR A 56 5.603 -14.379 15.299 1.00 0.00 H ATOM 559 H THR A 56 3.366 -12.588 13.613 1.00 0.00 H ATOM 560 N PHE A 57 2.842 -11.727 16.734 1.00 6.51 N ATOM 561 CA PHE A 57 2.892 -11.028 18.015 1.00 6.24 C ATOM 562 C PHE A 57 1.738 -10.050 18.229 1.00 7.39 C ATOM 563 O PHE A 57 1.267 -9.871 19.348 1.00 11.93 O ATOM 564 CB PHE A 57 4.227 -10.287 18.127 1.00 6.97 C ATOM 565 CG PHE A 57 4.377 -9.510 19.378 1.00 7.17 C ATOM 566 CD1 PHE A 57 4.544 -10.138 20.596 1.00 7.28 C ATOM 567 CD2 PHE A 57 4.339 -8.135 19.340 1.00 8.13 C ATOM 568 CE1 PHE A 57 4.674 -9.400 21.756 1.00 8.51 C ATOM 569 CE2 PHE A 57 4.481 -7.392 20.488 1.00 9.15 C ATOM 570 CZ PHE A 57 4.629 -8.031 21.708 1.00 9.00 C ATOM 571 H PHE A 57 3.231 -11.261 15.890 1.00 0.00 H ATOM 572 N ARG A 58 1.353 -9.309 17.215 1.00 6.27 N ATOM 573 CA ARG A 58 0.343 -8.275 17.366 1.00 6.07 C ATOM 574 C ARG A 58 -0.179 -7.904 15.993 1.00 5.50 C ATOM 575 O ARG A 58 0.566 -7.931 15.003 1.00 6.74 O ATOM 576 CB ARG A 58 0.949 -7.039 18.040 1.00 10.40 C ATOM 577 CG ARG A 58 -0.037 -5.953 18.326 1.00 14.57 C ATOM 578 CD ARG A 58 0.625 -4.721 18.938 1.00 17.77 C ATOM 579 NE ARG A 58 1.227 -5.027 20.223 1.00 18.93 N ATOM 580 CZ ARG A 58 2.059 -4.221 20.894 1.00 18.98 C ATOM 581 NH1 ARG A 58 2.428 -3.030 20.421 1.00 18.49 N ATOM 582 NH2 ARG A 58 2.527 -4.610 22.063 1.00 20.94 N ATOM 583 HE ARG A 58 0.994 -5.943 20.656 1.00 0.00 H ATOM 584 HH12 ARG A 58 3.076 -2.430 20.970 1.00 0.00 H ATOM 585 HH11 ARG A 58 2.067 -2.701 19.503 1.00 0.00 H ATOM 586 HH22 ARG A 58 3.174 -3.994 22.595 1.00 0.00 H ATOM 587 HH21 ARG A 58 2.249 -5.533 22.453 1.00 0.00 H ATOM 588 H ARG A 58 1.782 -9.466 16.281 1.00 0.00 H ATOM 589 N ASN A 59 -1.451 -7.537 15.947 1.00 4.74 N ATOM 590 CA ASN A 59 -2.080 -7.093 14.722 1.00 5.79 C ATOM 591 C ASN A 59 -2.304 -5.589 14.742 1.00 5.25 C ATOM 592 O ASN A 59 -2.364 -4.962 15.793 1.00 6.98 O ATOM 593 CB ASN A 59 -3.438 -7.754 14.548 1.00 7.31 C ATOM 594 CG ASN A 59 -3.371 -9.255 14.582 1.00 8.57 C ATOM 595 OD1 ASN A 59 -2.348 -9.862 14.237 1.00 7.84 O ATOM 596 ND2 ASN A 59 -4.475 -9.871 14.974 1.00 10.72 N ATOM 597 HD22 ASN A 59 -5.309 -9.316 15.254 1.00 0.00 H ATOM 598 HD21 ASN A 59 -4.509 -10.910 15.002 1.00 0.00 H ATOM 599 H ASN A 59 -2.016 -7.569 16.820 1.00 0.00 H ATOM 600 N TYR A 60 -2.482 -5.013 13.551 1.00 4.64 N ATOM 601 CA TYR A 60 -2.995 -3.653 13.417 1.00 4.24 C ATOM 602 C TYR A 60 -4.089 -3.708 12.366 1.00 4.04 C ATOM 603 O TYR A 60 -3.838 -4.122 11.222 1.00 3.94 O ATOM 604 CB TYR A 60 -1.901 -2.632 13.052 1.00 4.98 C ATOM 605 CG TYR A 60 -2.514 -1.268 12.862 1.00 5.06 C ATOM 606 CD1 TYR A 60 -3.148 -0.626 13.923 1.00 5.37 C ATOM 607 CD2 TYR A 60 -2.550 -0.657 11.621 1.00 5.06 C ATOM 608 CE1 TYR A 60 -3.765 0.604 13.762 1.00 5.58 C ATOM 609 CE2 TYR A 60 -3.181 0.590 11.451 1.00 4.95 C ATOM 610 CZ TYR A 60 -3.804 1.194 12.523 1.00 5.61 C ATOM 611 OH TYR A 60 -4.448 2.417 12.388 1.00 6.02 O ATOM 612 HH TYR A 60 -3.797 3.100 12.088 1.00 0.00 H ATOM 613 H TYR A 60 -2.248 -5.550 12.692 1.00 0.00 H ATOM 614 N ILE A 61 -5.312 -3.341 12.765 1.00 4.20 N ATOM 615 CA ILE A 61 -6.490 -3.455 11.911 1.00 4.04 C ATOM 616 C ILE A 61 -6.950 -2.074 11.477 1.00 4.15 C ATOM 617 O ILE A 61 -7.141 -1.190 12.310 1.00 5.03 O ATOM 618 CB ILE A 61 -7.633 -4.155 12.664 1.00 5.10 C ATOM 619 CG1 ILE A 61 -7.165 -5.472 13.290 1.00 6.08 C ATOM 620 CG2 ILE A 61 -8.812 -4.345 11.776 1.00 6.02 C ATOM 621 CD1 ILE A 61 -6.542 -6.519 12.358 1.00 6.28 C ATOM 622 H ILE A 61 -5.428 -2.958 13.725 1.00 0.00 H ATOM 623 N MET A 62 -7.162 -1.906 10.182 1.00 3.24 N ATOM 624 CA MET A 62 -7.839 -0.743 9.628 1.00 3.34 C ATOM 625 C MET A 62 -9.175 -1.160 9.042 1.00 4.03 C ATOM 626 O MET A 62 -9.291 -2.203 8.387 1.00 4.62 O ATOM 627 CB MET A 62 -7.019 -0.078 8.532 1.00 4.06 C ATOM 628 CG MET A 62 -5.700 0.469 8.978 1.00 3.91 C ATOM 629 SD MET A 62 -4.920 1.487 7.703 1.00 5.35 S ATOM 630 CE MET A 62 -5.834 3.003 7.885 1.00 7.09 C ATOM 631 H MET A 62 -6.828 -2.642 9.527 1.00 0.00 H ATOM 632 N ASP A 63 -10.174 -0.313 9.253 1.00 4.22 N ATOM 633 CA ASP A 63 -11.527 -0.571 8.754 1.00 4.17 C ATOM 634 C ASP A 63 -12.168 0.793 8.543 1.00 5.52 C ATOM 635 O ASP A 63 -12.468 1.485 9.520 1.00 6.23 O ATOM 636 CB ASP A 63 -12.281 -1.431 9.780 1.00 6.26 C ATOM 637 CG ASP A 63 -13.661 -1.875 9.313 1.00 7.95 C ATOM 638 OD1 ASP A 63 -14.240 -1.227 8.419 1.00 7.80 O ATOM 639 OD2 ASP A 63 -14.166 -2.892 9.850 1.00 10.87 O ATOM 640 H ASP A 63 -9.991 0.560 9.788 1.00 0.00 H ATOM 641 N PHE A 64 -12.309 1.213 7.286 1.00 3.61 N ATOM 642 CA PHE A 64 -12.633 2.605 6.999 1.00 3.61 C ATOM 643 C PHE A 64 -13.334 2.710 5.654 1.00 3.83 C ATOM 644 O PHE A 64 -13.409 1.743 4.892 1.00 4.14 O ATOM 645 CB PHE A 64 -11.372 3.496 7.003 1.00 4.16 C ATOM 646 CG PHE A 64 -10.341 3.049 6.008 1.00 3.88 C ATOM 647 CD1 PHE A 64 -10.405 3.481 4.702 1.00 5.65 C ATOM 648 CD2 PHE A 64 -9.350 2.144 6.357 1.00 4.60 C ATOM 649 CE1 PHE A 64 -9.467 3.064 3.770 1.00 5.98 C ATOM 650 CE2 PHE A 64 -8.422 1.732 5.429 1.00 4.65 C ATOM 651 CZ PHE A 64 -8.475 2.173 4.141 1.00 5.27 C ATOM 652 H PHE A 64 -12.187 0.541 6.502 1.00 0.00 H ATOM 653 N GLN A 65 -13.876 3.895 5.377 1.00 4.35 N ATOM 654 CA GLN A 65 -14.454 4.205 4.078 1.00 3.90 C ATOM 655 C GLN A 65 -13.490 5.124 3.340 1.00 4.91 C ATOM 656 O GLN A 65 -13.038 6.138 3.895 1.00 5.05 O ATOM 657 CB GLN A 65 -15.813 4.885 4.241 1.00 6.15 C ATOM 658 CG GLN A 65 -16.624 4.989 2.987 1.00 6.93 C ATOM 659 CD GLN A 65 -17.258 3.670 2.566 1.00 8.43 C ATOM 660 OE1 GLN A 65 -17.208 2.672 3.287 1.00 9.42 O ATOM 661 NE2 GLN A 65 -17.843 3.661 1.372 1.00 10.45 N ATOM 662 HE22 GLN A 65 -17.862 4.527 0.796 1.00 0.00 H ATOM 663 HE21 GLN A 65 -18.281 2.788 1.014 1.00 0.00 H ATOM 664 H GLN A 65 -13.886 4.626 6.117 1.00 0.00 H ATOM 665 N VAL A 66 -13.146 4.754 2.102 1.00 5.70 N ATOM 666 CA VAL A 66 -12.309 5.634 1.292 1.00 6.24 C ATOM 667 C VAL A 66 -13.017 6.968 1.117 1.00 6.76 C ATOM 668 O VAL A 66 -14.222 7.021 0.862 1.00 7.18 O ATOM 669 CB VAL A 66 -12.009 4.982 -0.067 1.00 8.38 C ATOM 670 CG1 VAL A 66 -11.155 5.881 -0.915 1.00 8.73 C ATOM 671 CG2 VAL A 66 -11.314 3.668 0.117 1.00 9.09 C ATOM 672 H VAL A 66 -13.473 3.844 1.718 1.00 0.00 H ATOM 673 N GLY A 67 -12.265 8.061 1.228 1.00 6.67 N ATOM 674 CA GLY A 67 -12.771 9.399 0.993 1.00 9.36 C ATOM 675 C GLY A 67 -13.220 10.121 2.235 1.00 12.59 C ATOM 676 O GLY A 67 -13.452 11.327 2.175 1.00 18.90 O ATOM 677 H GLY A 67 -11.266 7.950 1.496 1.00 0.00 H ATOM 678 N LYS A 68 -13.348 9.422 3.353 1.00 12.24 N ATOM 679 CA LYS A 68 -13.968 9.967 4.546 1.00 12.48 C ATOM 680 C LYS A 68 -12.914 10.051 5.641 1.00 12.19 C ATOM 681 O LYS A 68 -12.399 9.019 6.075 1.00 13.83 O ATOM 682 CB LYS A 68 -15.133 9.063 4.974 1.00 13.55 C ATOM 683 H LYS A 68 -12.991 8.446 3.376 1.00 0.00 H ATOM 684 N GLU A 69 -12.646 11.264 6.135 1.00 11.91 N ATOM 685 CA GLU A 69 -11.696 11.404 7.235 1.00 10.18 C ATOM 686 C GLU A 69 -12.242 10.676 8.449 1.00 8.95 C ATOM 687 O GLU A 69 -13.432 10.743 8.746 1.00 10.82 O ATOM 688 CB GLU A 69 -11.451 12.874 7.595 1.00 10.11 C ATOM 689 CG GLU A 69 -10.382 13.059 8.675 1.00 10.46 C ATOM 690 CD GLU A 69 -10.043 14.517 8.985 1.00 13.17 C ATOM 691 OE1 GLU A 69 -10.812 15.157 9.736 1.00 14.98 O ATOM 692 OE2 GLU A 69 -8.987 15.011 8.517 1.00 12.55 O ATOM 693 H GLU A 69 -13.112 12.104 5.737 1.00 0.00 H ATOM 694 N PHE A 70 -11.359 9.999 9.160 1.00 6.79 N ATOM 695 CA PHE A 70 -11.746 9.249 10.336 1.00 8.37 C ATOM 696 C PHE A 70 -10.655 9.376 11.380 1.00 7.05 C ATOM 697 O PHE A 70 -9.504 9.709 11.083 1.00 7.29 O ATOM 698 CB PHE A 70 -12.025 7.765 10.015 1.00 9.27 C ATOM 699 CG PHE A 70 -10.846 7.024 9.434 1.00 8.56 C ATOM 700 CD1 PHE A 70 -10.574 7.077 8.089 1.00 9.20 C ATOM 701 CD2 PHE A 70 -10.037 6.243 10.241 1.00 9.90 C ATOM 702 CE1 PHE A 70 -9.495 6.380 7.556 1.00 9.15 C ATOM 703 CE2 PHE A 70 -8.959 5.539 9.701 1.00 9.63 C ATOM 704 CZ PHE A 70 -8.706 5.623 8.358 1.00 9.32 C ATOM 705 H PHE A 70 -10.361 10.005 8.868 1.00 0.00 H ATOM 706 N GLU A 71 -11.044 9.130 12.627 1.00 7.21 N ATOM 707 CA GLU A 71 -10.104 9.081 13.728 1.00 8.37 C ATOM 708 C GLU A 71 -9.438 7.711 13.729 1.00 7.57 C ATOM 709 O GLU A 71 -10.087 6.689 13.953 1.00 10.44 O ATOM 710 CB GLU A 71 -10.840 9.325 15.033 1.00 11.03 C ATOM 711 CG GLU A 71 -9.922 9.327 16.189 1.00 14.78 C ATOM 712 CD GLU A 71 -10.618 9.727 17.455 1.00 19.02 C ATOM 713 OE1 GLU A 71 -11.310 10.773 17.472 1.00 19.38 O ATOM 714 OE2 GLU A 71 -10.499 8.951 18.412 1.00 21.21 O ATOM 715 H GLU A 71 -12.053 8.968 12.818 1.00 0.00 H ATOM 716 N GLU A 72 -8.140 7.687 13.483 1.00 5.99 N ATOM 717 CA GLU A 72 -7.387 6.446 13.399 1.00 5.95 C ATOM 718 C GLU A 72 -6.671 6.200 14.725 1.00 5.59 C ATOM 719 O GLU A 72 -5.851 7.016 15.147 1.00 6.80 O ATOM 720 CB GLU A 72 -6.375 6.527 12.261 1.00 5.84 C ATOM 721 CG GLU A 72 -5.639 5.192 12.018 1.00 5.00 C ATOM 722 CD GLU A 72 -4.532 5.281 10.992 1.00 5.99 C ATOM 723 OE1 GLU A 72 -4.174 6.395 10.546 1.00 6.55 O ATOM 724 OE2 GLU A 72 -4.009 4.206 10.635 1.00 5.43 O ATOM 725 H GLU A 72 -7.639 8.588 13.345 1.00 0.00 H ATOM 726 N ASP A 73 -6.993 5.078 15.381 1.00 5.69 N ATOM 727 CA ASP A 73 -6.411 4.706 16.670 1.00 6.73 C ATOM 728 C ASP A 73 -5.208 3.813 16.383 1.00 5.95 C ATOM 729 O ASP A 73 -5.364 2.650 16.012 1.00 6.89 O ATOM 730 CB ASP A 73 -7.460 3.954 17.492 1.00 8.69 C ATOM 731 CG ASP A 73 -6.928 3.412 18.800 1.00 11.43 C ATOM 732 OD1 ASP A 73 -5.716 3.549 19.081 1.00 9.97 O ATOM 733 OD2 ASP A 73 -7.746 2.844 19.569 1.00 14.38 O ATOM 734 H ASP A 73 -7.692 4.439 14.952 1.00 0.00 H ATOM 735 N LEU A 74 -4.011 4.342 16.594 1.00 5.96 N ATOM 736 CA LEU A 74 -2.766 3.646 16.309 1.00 6.69 C ATOM 737 C LEU A 74 -2.219 2.896 17.514 1.00 7.64 C ATOM 738 O LEU A 74 -1.006 2.626 17.594 1.00 7.35 O ATOM 739 CB LEU A 74 -1.752 4.629 15.727 1.00 7.35 C ATOM 740 CG LEU A 74 -2.195 5.073 14.322 1.00 8.29 C ATOM 741 CD1 LEU A 74 -1.930 6.545 14.058 1.00 10.27 C ATOM 742 CD2 LEU A 74 -1.557 4.225 13.243 1.00 7.96 C ATOM 743 H LEU A 74 -3.959 5.305 16.984 1.00 0.00 H ATOM 744 N THR A 75 -3.093 2.514 18.445 1.00 8.25 N ATOM 745 CA THR A 75 -2.687 1.635 19.526 1.00 8.75 C ATOM 746 C THR A 75 -2.021 0.395 18.953 1.00 9.94 C ATOM 747 O THR A 75 -2.533 -0.238 18.022 1.00 10.76 O ATOM 748 CB THR A 75 -3.907 1.255 20.363 1.00 11.09 C ATOM 749 OG1 THR A 75 -4.390 2.426 21.031 1.00 12.30 O ATOM 750 CG2 THR A 75 -3.530 0.232 21.399 1.00 13.21 C ATOM 751 HG1 THR A 75 -4.642 3.108 20.359 1.00 0.00 H ATOM 752 H THR A 75 -4.076 2.849 18.396 1.00 0.00 H ATOM 753 N GLY A 76 -0.880 0.043 19.528 1.00 9.88 N ATOM 754 CA GLY A 76 -0.124 -1.097 19.093 1.00 11.05 C ATOM 755 C GLY A 76 1.031 -0.743 18.193 1.00 10.67 C ATOM 756 O GLY A 76 1.945 -1.554 18.030 1.00 12.14 O ATOM 757 H GLY A 76 -0.520 0.612 20.321 1.00 0.00 H ATOM 758 N ILE A 77 1.000 0.445 17.589 1.00 8.80 N ATOM 759 CA ILE A 77 2.133 0.948 16.827 1.00 8.94 C ATOM 760 C ILE A 77 2.810 1.974 17.726 1.00 8.05 C ATOM 761 O ILE A 77 3.665 1.616 18.546 1.00 11.77 O ATOM 762 CB ILE A 77 1.699 1.500 15.456 1.00 9.04 C ATOM 763 CG1 ILE A 77 1.007 0.405 14.656 1.00 11.04 C ATOM 764 CG2 ILE A 77 2.904 2.024 14.671 1.00 9.02 C ATOM 765 CD1 ILE A 77 0.430 0.840 13.357 1.00 11.75 C ATOM 766 H ILE A 77 0.142 1.028 17.664 1.00 0.00 H ATOM 767 N ASP A 78 2.387 3.232 17.650 1.00 6.71 N ATOM 768 CA ASP A 78 2.936 4.302 18.474 1.00 6.59 C ATOM 769 C ASP A 78 1.914 4.848 19.466 1.00 7.53 C ATOM 770 O ASP A 78 2.202 5.827 20.162 1.00 8.35 O ATOM 771 CB ASP A 78 3.519 5.413 17.582 1.00 6.24 C ATOM 772 CG ASP A 78 2.482 6.097 16.703 1.00 6.37 C ATOM 773 OD1 ASP A 78 1.524 5.445 16.293 1.00 8.70 O ATOM 774 OD2 ASP A 78 2.642 7.300 16.395 1.00 7.20 O ATOM 775 H ASP A 78 1.632 3.463 16.973 1.00 0.00 H ATOM 776 N ASP A 79 0.730 4.238 19.534 1.00 7.58 N ATOM 777 CA ASP A 79 -0.317 4.580 20.498 1.00 7.97 C ATOM 778 C ASP A 79 -0.827 6.013 20.348 1.00 8.42 C ATOM 779 O ASP A 79 -1.347 6.595 21.297 1.00 11.13 O ATOM 780 CB ASP A 79 0.130 4.277 21.928 1.00 10.63 C ATOM 781 CG ASP A 79 0.563 2.831 22.106 1.00 13.06 C ATOM 782 OD1 ASP A 79 -0.084 1.944 21.537 1.00 14.30 O ATOM 783 OD2 ASP A 79 1.558 2.585 22.812 1.00 17.37 O ATOM 784 H ASP A 79 0.538 3.470 18.859 1.00 0.00 H ATOM 785 N ARG A 80 -0.694 6.580 19.155 1.00 6.93 N ATOM 786 CA ARG A 80 -1.187 7.909 18.844 1.00 5.69 C ATOM 787 C ARG A 80 -2.558 7.812 18.197 1.00 6.27 C ATOM 788 O ARG A 80 -3.073 6.720 17.943 1.00 6.82 O ATOM 789 CB ARG A 80 -0.183 8.650 17.972 1.00 5.59 C ATOM 790 CG ARG A 80 1.067 9.039 18.723 1.00 6.83 C ATOM 791 CD ARG A 80 1.827 10.150 17.993 1.00 7.39 C ATOM 792 NE ARG A 80 3.043 10.549 18.688 1.00 8.01 N ATOM 793 CZ ARG A 80 4.232 9.989 18.512 1.00 8.27 C ATOM 794 NH1 ARG A 80 4.403 9.012 17.625 1.00 7.83 N ATOM 795 NH2 ARG A 80 5.266 10.424 19.209 1.00 8.95 N ATOM 796 HE ARG A 80 2.974 11.330 19.372 1.00 0.00 H ATOM 797 HH12 ARG A 80 5.342 8.583 17.499 1.00 0.00 H ATOM 798 HH11 ARG A 80 3.598 8.677 17.058 1.00 0.00 H ATOM 799 HH22 ARG A 80 6.202 9.990 19.077 1.00 0.00 H ATOM 800 HH21 ARG A 80 5.144 11.200 19.890 1.00 0.00 H ATOM 801 H ARG A 80 -0.212 6.044 18.405 1.00 0.00 H ATOM 802 N LYS A 81 -3.135 8.982 17.925 1.00 6.22 N ATOM 803 CA LYS A 81 -4.395 9.143 17.217 1.00 7.16 C ATOM 804 C LYS A 81 -4.097 10.059 16.045 1.00 6.34 C ATOM 805 O LYS A 81 -3.479 11.114 16.217 1.00 7.16 O ATOM 806 CB LYS A 81 -5.434 9.801 18.147 1.00 11.47 C ATOM 807 CG LYS A 81 -6.759 10.169 17.518 1.00 13.41 C ATOM 808 CD LYS A 81 -7.561 11.190 18.381 1.00 13.71 C ATOM 809 CE LYS A 81 -7.903 10.681 19.772 1.00 14.50 C ATOM 810 NZ LYS A 81 -9.169 11.301 20.322 1.00 15.64 N ATOM 811 HZ1 LYS A 81 -9.052 12.333 20.378 1.00 0.00 H ATOM 812 HZ2 LYS A 81 -9.966 11.075 19.693 1.00 0.00 H ATOM 813 HZ3 LYS A 81 -9.356 10.920 21.271 1.00 0.00 H ATOM 814 H LYS A 81 -2.648 9.844 18.243 1.00 0.00 H ATOM 815 N CYS A 82 -4.541 9.686 14.864 1.00 5.26 N ATOM 816 CA CYS A 82 -4.427 10.574 13.721 1.00 5.06 C ATOM 817 C CYS A 82 -5.794 10.829 13.122 1.00 4.98 C ATOM 818 O CYS A 82 -6.719 10.023 13.269 1.00 5.64 O ATOM 819 CB CYS A 82 -3.508 9.999 12.654 1.00 4.30 C ATOM 820 SG CYS A 82 -1.751 9.982 13.109 1.00 5.86 S ATOM 821 H CYS A 82 -4.977 8.749 14.748 1.00 0.00 H ATOM 822 N MET A 83 -5.926 11.964 12.451 1.00 4.94 N ATOM 823 CA MET A 83 -7.107 12.246 11.642 1.00 5.53 C ATOM 824 C MET A 83 -6.720 11.916 10.207 1.00 4.37 C ATOM 825 O MET A 83 -5.890 12.607 9.594 1.00 4.60 O ATOM 826 CB MET A 83 -7.574 13.685 11.834 1.00 7.09 C ATOM 827 CG MET A 83 -7.949 14.014 13.281 1.00 8.37 C ATOM 828 SD MET A 83 -9.213 12.936 14.001 1.00 10.38 S ATOM 829 CE MET A 83 -10.609 13.307 12.980 1.00 12.62 C ATOM 830 H MET A 83 -5.167 12.673 12.502 1.00 0.00 H ATOM 831 N THR A 84 -7.256 10.808 9.716 1.00 3.83 N ATOM 832 CA THR A 84 -6.708 10.103 8.571 1.00 4.65 C ATOM 833 C THR A 84 -7.702 10.096 7.423 1.00 5.43 C ATOM 834 O THR A 84 -8.906 9.893 7.634 1.00 5.56 O ATOM 835 CB THR A 84 -6.327 8.702 9.000 1.00 4.08 C ATOM 836 OG1 THR A 84 -5.286 8.837 9.965 1.00 4.22 O ATOM 837 CG2 THR A 84 -5.875 7.861 7.849 1.00 3.79 C ATOM 838 HG1 THR A 84 -5.005 7.939 10.274 1.00 0.00 H ATOM 839 H THR A 84 -8.109 10.426 10.172 1.00 0.00 H ATOM 840 N THR A 85 -7.201 10.332 6.218 1.00 4.86 N ATOM 841 CA THR A 85 -8.027 10.245 5.018 1.00 5.63 C ATOM 842 C THR A 85 -7.329 9.362 4.005 1.00 6.12 C ATOM 843 O THR A 85 -6.154 9.571 3.696 1.00 5.04 O ATOM 844 CB THR A 85 -8.277 11.620 4.405 1.00 8.05 C ATOM 845 OG1 THR A 85 -8.851 12.477 5.387 1.00 8.71 O ATOM 846 CG2 THR A 85 -9.245 11.536 3.224 1.00 10.50 C ATOM 847 HG1 THR A 85 -8.229 12.563 6.152 1.00 0.00 H ATOM 848 H THR A 85 -6.196 10.585 6.126 1.00 0.00 H ATOM 849 N VAL A 86 -8.056 8.382 3.495 1.00 6.12 N ATOM 850 CA VAL A 86 -7.569 7.490 2.447 1.00 6.52 C ATOM 851 C VAL A 86 -8.352 7.823 1.187 1.00 7.91 C ATOM 852 O VAL A 86 -9.574 7.958 1.238 1.00 10.69 O ATOM 853 CB VAL A 86 -7.748 6.016 2.844 1.00 7.06 C ATOM 854 CG1 VAL A 86 -7.246 5.103 1.741 1.00 7.76 C ATOM 855 CG2 VAL A 86 -7.029 5.716 4.151 1.00 7.43 C ATOM 856 H VAL A 86 -9.020 8.240 3.858 1.00 0.00 H ATOM 857 N SER A 87 -7.658 7.973 0.063 1.00 6.15 N ATOM 858 CA SER A 87 -8.258 8.417 -1.189 1.00 6.72 C ATOM 859 C SER A 87 -7.681 7.612 -2.343 1.00 5.38 C ATOM 860 O SER A 87 -6.508 7.240 -2.315 1.00 4.94 O ATOM 861 CB SER A 87 -7.913 9.885 -1.458 1.00 9.03 C ATOM 862 OG SER A 87 -8.264 10.711 -0.355 1.00 11.44 O ATOM 863 HG SER A 87 -9.238 10.642 -0.189 1.00 0.00 H ATOM 864 H SER A 87 -6.639 7.764 0.078 1.00 0.00 H ATOM 865 N TRP A 88 -8.496 7.379 -3.366 1.00 5.39 N ATOM 866 CA TRP A 88 -7.987 6.820 -4.605 1.00 5.75 C ATOM 867 C TRP A 88 -7.260 7.893 -5.395 1.00 5.92 C ATOM 868 O TRP A 88 -7.699 9.044 -5.464 1.00 7.84 O ATOM 869 CB TRP A 88 -9.115 6.283 -5.463 1.00 6.65 C ATOM 870 CG TRP A 88 -9.700 5.013 -4.968 1.00 8.68 C ATOM 871 CD1 TRP A 88 -10.904 4.848 -4.361 1.00 9.96 C ATOM 872 CD2 TRP A 88 -9.094 3.716 -5.023 1.00 9.40 C ATOM 873 NE1 TRP A 88 -11.082 3.530 -4.018 1.00 11.55 N ATOM 874 CE2 TRP A 88 -9.998 2.811 -4.435 1.00 10.63 C ATOM 875 CE3 TRP A 88 -7.893 3.232 -5.539 1.00 11.31 C ATOM 876 CZ2 TRP A 88 -9.728 1.449 -4.328 1.00 11.72 C ATOM 877 CZ3 TRP A 88 -7.627 1.864 -5.432 1.00 13.69 C ATOM 878 CH2 TRP A 88 -8.541 1.001 -4.833 1.00 13.50 C ATOM 879 HE1 TRP A 88 -11.909 3.142 -3.521 1.00 0.00 H ATOM 880 H TRP A 88 -9.509 7.599 -3.278 1.00 0.00 H ATOM 881 N ASP A 89 -6.150 7.500 -5.974 1.00 6.14 N ATOM 882 CA ASP A 89 -5.339 8.316 -6.875 1.00 7.33 C ATOM 883 C ASP A 89 -5.050 7.427 -8.083 1.00 8.18 C ATOM 884 O ASP A 89 -3.996 6.803 -8.193 1.00 8.47 O ATOM 885 CB ASP A 89 -4.064 8.749 -6.153 1.00 9.42 C ATOM 886 CG ASP A 89 -3.040 9.407 -7.059 1.00 12.48 C ATOM 887 OD1 ASP A 89 -3.385 9.911 -8.141 1.00 12.95 O ATOM 888 OD2 ASP A 89 -1.861 9.431 -6.643 1.00 15.39 O ATOM 889 H ASP A 89 -5.822 6.533 -5.776 1.00 0.00 H ATOM 890 N GLY A 90 -5.995 7.369 -9.005 1.00 8.52 N ATOM 891 CA GLY A 90 -5.870 6.444 -10.115 1.00 10.06 C ATOM 892 C GLY A 90 -5.886 5.023 -9.576 1.00 10.02 C ATOM 893 O GLY A 90 -6.823 4.611 -8.875 1.00 11.73 O ATOM 894 H GLY A 90 -6.829 7.987 -8.935 1.00 0.00 H ATOM 895 N ASP A 91 -4.833 4.265 -9.874 1.00 10.02 N ATOM 896 CA ASP A 91 -4.730 2.885 -9.434 1.00 11.77 C ATOM 897 C ASP A 91 -4.034 2.755 -8.084 1.00 9.64 C ATOM 898 O ASP A 91 -3.794 1.628 -7.629 1.00 10.42 O ATOM 899 CB ASP A 91 -3.976 2.069 -10.488 1.00 16.60 C ATOM 900 CG ASP A 91 -4.765 1.890 -11.764 1.00 20.85 C ATOM 901 OD1 ASP A 91 -5.979 2.190 -11.780 1.00 22.33 O ATOM 902 OD2 ASP A 91 -4.156 1.408 -12.745 1.00 23.59 O ATOM 903 H ASP A 91 -4.061 4.673 -10.439 1.00 0.00 H ATOM 904 N LYS A 92 -3.711 3.873 -7.444 1.00 8.22 N ATOM 905 CA LYS A 92 -3.034 3.889 -6.156 1.00 8.88 C ATOM 906 C LYS A 92 -3.998 4.321 -5.066 1.00 6.42 C ATOM 907 O LYS A 92 -4.938 5.087 -5.295 1.00 7.44 O ATOM 908 CB LYS A 92 -1.850 4.855 -6.177 1.00 12.33 C ATOM 909 CG LYS A 92 -0.839 4.521 -7.264 1.00 16.59 C ATOM 910 CD LYS A 92 0.403 5.369 -7.143 1.00 22.59 C ATOM 911 CE LYS A 92 0.125 6.825 -7.416 1.00 26.49 C ATOM 912 NZ LYS A 92 1.272 7.473 -8.154 1.00 30.35 N ATOM 913 HZ1 LYS A 92 2.136 7.402 -7.580 1.00 0.00 H ATOM 914 HZ2 LYS A 92 1.417 6.987 -9.062 1.00 0.00 H ATOM 915 HZ3 LYS A 92 1.050 8.474 -8.327 1.00 0.00 H ATOM 916 H LYS A 92 -3.954 4.783 -7.886 1.00 0.00 H ATOM 917 N LEU A 93 -3.750 3.836 -3.866 1.00 4.24 N ATOM 918 CA LEU A 93 -4.478 4.238 -2.681 1.00 4.16 C ATOM 919 C LEU A 93 -3.548 5.111 -1.844 1.00 4.06 C ATOM 920 O LEU A 93 -2.443 4.687 -1.507 1.00 4.37 O ATOM 921 CB LEU A 93 -4.885 2.979 -1.927 1.00 7.85 C ATOM 922 CG LEU A 93 -5.981 3.152 -0.908 1.00 9.04 C ATOM 923 CD1 LEU A 93 -7.310 3.547 -1.545 1.00 7.72 C ATOM 924 CD2 LEU A 93 -6.161 1.850 -0.159 1.00 8.17 C ATOM 925 H LEU A 93 -2.994 3.129 -3.765 1.00 0.00 H ATOM 926 N GLN A 94 -3.970 6.343 -1.552 1.00 4.47 N ATOM 927 CA GLN A 94 -3.158 7.318 -0.841 1.00 4.66 C ATOM 928 C GLN A 94 -3.739 7.574 0.537 1.00 5.56 C ATOM 929 O GLN A 94 -4.956 7.719 0.693 1.00 8.28 O ATOM 930 CB GLN A 94 -3.168 8.659 -1.579 1.00 6.69 C ATOM 931 CG GLN A 94 -2.614 8.600 -2.993 1.00 8.60 C ATOM 932 CD GLN A 94 -1.103 8.471 -3.036 1.00 9.49 C ATOM 933 OE1 GLN A 94 -0.436 8.331 -2.023 1.00 8.53 O ATOM 934 NE2 GLN A 94 -0.560 8.492 -4.231 1.00 10.96 N ATOM 935 HE22 GLN A 94 -1.159 8.613 -5.072 1.00 0.00 H ATOM 936 HE21 GLN A 94 0.469 8.387 -4.336 1.00 0.00 H ATOM 937 H GLN A 94 -4.928 6.620 -1.848 1.00 0.00 H ATOM 938 N CYS A 95 -2.876 7.703 1.533 1.00 4.40 N ATOM 939 CA CYS A 95 -3.316 7.919 2.902 1.00 5.23 C ATOM 940 C CYS A 95 -2.528 9.069 3.493 1.00 4.32 C ATOM 941 O CYS A 95 -1.293 9.089 3.421 1.00 4.24 O ATOM 942 CB CYS A 95 -3.150 6.651 3.727 1.00 5.00 C ATOM 943 SG CYS A 95 -3.596 6.856 5.461 1.00 6.00 S ATOM 944 H CYS A 95 -1.857 7.648 1.331 1.00 0.00 H ATOM 945 N VAL A 96 -3.245 10.012 4.092 1.00 3.58 N ATOM 946 CA VAL A 96 -2.649 11.102 4.850 1.00 4.15 C ATOM 947 C VAL A 96 -3.093 10.953 6.294 1.00 3.78 C ATOM 948 O VAL A 96 -4.290 10.860 6.569 1.00 4.24 O ATOM 949 CB VAL A 96 -3.080 12.476 4.309 1.00 6.65 C ATOM 950 CG1 VAL A 96 -2.490 13.597 5.179 1.00 9.39 C ATOM 951 CG2 VAL A 96 -2.679 12.644 2.846 1.00 10.43 C ATOM 952 H VAL A 96 -4.281 9.970 4.016 1.00 0.00 H ATOM 953 N GLN A 97 -2.134 10.945 7.220 1.00 3.81 N ATOM 954 CA GLN A 97 -2.391 10.741 8.648 1.00 3.87 C ATOM 955 C GLN A 97 -2.014 12.022 9.380 1.00 4.12 C ATOM 956 O GLN A 97 -0.837 12.233 9.688 1.00 5.18 O ATOM 957 CB GLN A 97 -1.540 9.583 9.130 1.00 3.85 C ATOM 958 CG GLN A 97 -1.945 8.244 8.528 1.00 4.00 C ATOM 959 CD GLN A 97 -0.940 7.150 8.853 1.00 5.04 C ATOM 960 OE1 GLN A 97 0.187 7.160 8.366 1.00 5.36 O ATOM 961 NE2 GLN A 97 -1.346 6.207 9.674 1.00 7.01 N ATOM 962 HE22 GLN A 97 -2.310 6.237 10.064 1.00 0.00 H ATOM 963 HE21 GLN A 97 -0.704 5.431 9.933 1.00 0.00 H ATOM 964 H GLN A 97 -1.151 11.091 6.912 1.00 0.00 H ATOM 965 N LYS A 98 -2.999 12.886 9.657 1.00 4.29 N ATOM 966 CA LYS A 98 -2.713 14.155 10.313 1.00 5.09 C ATOM 967 C LYS A 98 -2.562 13.950 11.817 1.00 5.19 C ATOM 968 O LYS A 98 -3.362 13.250 12.443 1.00 6.08 O ATOM 969 CB LYS A 98 -3.840 15.160 10.066 1.00 7.98 C ATOM 970 CG LYS A 98 -4.059 15.611 8.631 1.00 11.80 C ATOM 971 CD LYS A 98 -4.987 16.849 8.644 1.00 15.78 C ATOM 972 CE LYS A 98 -6.185 16.742 7.689 1.00 18.73 C ATOM 973 NZ LYS A 98 -7.369 17.574 8.122 1.00 20.95 N ATOM 974 HZ1 LYS A 98 -7.687 17.260 9.061 1.00 0.00 H ATOM 975 HZ2 LYS A 98 -7.090 18.575 8.166 1.00 0.00 H ATOM 976 HZ3 LYS A 98 -8.142 17.458 7.436 1.00 0.00 H ATOM 977 H LYS A 98 -3.979 12.649 9.401 1.00 0.00 H ATOM 978 N GLY A 99 -1.543 14.574 12.393 1.00 5.46 N ATOM 979 CA GLY A 99 -1.272 14.376 13.805 1.00 5.57 C ATOM 980 C GLY A 99 0.078 14.938 14.194 1.00 6.46 C ATOM 981 O GLY A 99 0.607 15.836 13.537 1.00 7.14 O ATOM 982 H GLY A 99 -0.937 15.206 11.832 1.00 0.00 H ATOM 983 N GLU A 100 0.648 14.358 15.245 1.00 5.45 N ATOM 984 CA GLU A 100 1.861 14.906 15.840 1.00 6.14 C ATOM 985 C GLU A 100 3.019 14.908 14.867 1.00 6.78 C ATOM 986 O GLU A 100 3.760 15.892 14.768 1.00 6.80 O ATOM 987 CB GLU A 100 2.231 14.111 17.093 1.00 7.94 C ATOM 988 CG GLU A 100 3.601 14.408 17.684 1.00 8.40 C ATOM 989 CD GLU A 100 3.826 15.841 18.088 1.00 9.44 C ATOM 990 OE1 GLU A 100 2.844 16.588 18.301 1.00 9.66 O ATOM 991 OE2 GLU A 100 5.020 16.227 18.210 1.00 10.29 O ATOM 992 H GLU A 100 0.222 13.500 15.649 1.00 0.00 H ATOM 993 N LYS A 101 3.188 13.816 14.138 1.00 6.50 N ATOM 994 CA LYS A 101 4.310 13.696 13.226 1.00 6.63 C ATOM 995 C LYS A 101 3.990 14.323 11.880 1.00 6.82 C ATOM 996 O LYS A 101 2.901 14.140 11.343 1.00 7.43 O ATOM 997 CB LYS A 101 4.669 12.229 13.026 1.00 7.75 C ATOM 998 CG LYS A 101 5.110 11.552 14.291 1.00 9.93 C ATOM 999 CD LYS A 101 6.369 12.224 14.875 1.00 11.38 C ATOM 1000 CE LYS A 101 6.756 11.556 16.146 1.00 12.07 C ATOM 1001 NZ LYS A 101 7.964 12.203 16.737 1.00 12.01 N ATOM 1002 HZ1 LYS A 101 8.756 12.134 16.066 1.00 0.00 H ATOM 1003 HZ2 LYS A 101 7.759 13.204 16.932 1.00 0.00 H ATOM 1004 HZ3 LYS A 101 8.216 11.720 17.623 1.00 0.00 H ATOM 1005 H LYS A 101 2.508 13.034 14.220 1.00 0.00 H ATOM 1006 N GLU A 102 4.968 15.016 11.315 1.00 6.00 N ATOM 1007 CA GLU A 102 4.805 15.615 9.999 1.00 6.36 C ATOM 1008 C GLU A 102 5.010 14.567 8.909 1.00 4.99 C ATOM 1009 O GLU A 102 5.758 13.596 9.074 1.00 5.68 O ATOM 1010 CB GLU A 102 5.789 16.778 9.801 1.00 10.87 C ATOM 1011 CG GLU A 102 5.649 17.908 10.828 1.00 15.77 C ATOM 1012 CD GLU A 102 4.396 18.765 10.661 1.00 20.31 C ATOM 1013 OE1 GLU A 102 3.703 18.675 9.626 1.00 22.68 O ATOM 1014 OE2 GLU A 102 4.101 19.563 11.583 1.00 22.14 O ATOM 1015 H GLU A 102 5.869 15.134 11.821 1.00 0.00 H ATOM 1016 N GLY A 103 4.336 14.785 7.789 1.00 5.39 N ATOM 1017 CA GLY A 103 4.606 13.976 6.620 1.00 5.52 C ATOM 1018 C GLY A 103 4.236 12.527 6.785 1.00 4.51 C ATOM 1019 O GLY A 103 4.849 11.674 6.157 1.00 3.99 O ATOM 1020 H GLY A 103 3.616 15.534 7.750 1.00 0.00 H ATOM 1021 N ARG A 104 3.261 12.229 7.635 1.00 3.80 N ATOM 1022 CA ARG A 104 2.889 10.857 7.949 1.00 3.44 C ATOM 1023 C ARG A 104 1.801 10.378 6.990 1.00 2.96 C ATOM 1024 O ARG A 104 0.732 11.000 6.869 1.00 4.62 O ATOM 1025 CB ARG A 104 2.406 10.746 9.399 1.00 4.88 C ATOM 1026 CG ARG A 104 2.263 9.299 9.856 1.00 4.71 C ATOM 1027 CD ARG A 104 1.756 9.212 11.287 1.00 4.32 C ATOM 1028 NE ARG A 104 1.673 7.834 11.759 1.00 5.17 N ATOM 1029 CZ ARG A 104 1.669 7.458 13.040 1.00 5.31 C ATOM 1030 NH1 ARG A 104 1.658 8.341 14.031 1.00 5.54 N ATOM 1031 NH2 ARG A 104 1.654 6.167 13.325 1.00 4.57 N ATOM 1032 HE ARG A 104 1.612 7.085 11.040 1.00 0.00 H ATOM 1033 HH12 ARG A 104 1.655 8.014 15.018 1.00 0.00 H ATOM 1034 HH11 ARG A 104 1.652 9.359 13.820 1.00 0.00 H ATOM 1035 HH22 ARG A 104 1.651 5.853 14.317 1.00 0.00 H ATOM 1036 HH21 ARG A 104 1.646 5.465 12.558 1.00 0.00 H ATOM 1037 H ARG A 104 2.743 13.005 8.094 1.00 0.00 H ATOM 1038 N GLY A 105 2.051 9.249 6.335 1.00 3.54 N ATOM 1039 CA GLY A 105 1.059 8.685 5.436 1.00 2.85 C ATOM 1040 C GLY A 105 1.630 7.491 4.699 1.00 3.16 C ATOM 1041 O GLY A 105 2.685 6.970 5.060 1.00 3.47 O ATOM 1042 H GLY A 105 2.963 8.766 6.467 1.00 0.00 H ATOM 1043 N TRP A 106 0.922 7.056 3.661 1.00 3.10 N ATOM 1044 CA TRP A 106 1.398 5.890 2.922 1.00 2.66 C ATOM 1045 C TRP A 106 0.710 5.858 1.570 1.00 3.31 C ATOM 1046 O TRP A 106 -0.284 6.545 1.347 1.00 3.19 O ATOM 1047 CB TRP A 106 1.232 4.571 3.695 1.00 3.58 C ATOM 1048 CG TRP A 106 -0.115 4.293 4.303 1.00 4.13 C ATOM 1049 CD1 TRP A 106 -0.431 4.447 5.618 1.00 5.60 C ATOM 1050 CD2 TRP A 106 -1.293 3.779 3.662 1.00 3.56 C ATOM 1051 NE1 TRP A 106 -1.741 4.068 5.851 1.00 6.47 N ATOM 1052 CE2 TRP A 106 -2.301 3.667 4.665 1.00 4.52 C ATOM 1053 CE3 TRP A 106 -1.617 3.429 2.346 1.00 4.37 C ATOM 1054 CZ2 TRP A 106 -3.572 3.205 4.391 1.00 5.56 C ATOM 1055 CZ3 TRP A 106 -2.894 2.988 2.085 1.00 4.58 C ATOM 1056 CH2 TRP A 106 -3.852 2.877 3.095 1.00 5.26 C ATOM 1057 HE1 TRP A 106 -2.222 4.084 6.773 1.00 0.00 H ATOM 1058 H TRP A 106 0.044 7.538 3.380 1.00 0.00 H ATOM 1059 N THR A 107 1.266 5.050 0.670 1.00 2.96 N ATOM 1060 CA THR A 107 0.716 4.816 -0.658 1.00 3.19 C ATOM 1061 C THR A 107 0.764 3.317 -0.911 1.00 3.20 C ATOM 1062 O THR A 107 1.803 2.686 -0.688 1.00 3.30 O ATOM 1063 CB THR A 107 1.546 5.535 -1.738 1.00 3.61 C ATOM 1064 OG1 THR A 107 1.658 6.922 -1.418 1.00 4.42 O ATOM 1065 CG2 THR A 107 0.884 5.383 -3.091 1.00 4.93 C ATOM 1066 HG1 THR A 107 0.754 7.324 -1.377 1.00 0.00 H ATOM 1067 H THR A 107 2.144 4.557 0.930 1.00 0.00 H ATOM 1068 N GLN A 108 -0.335 2.754 -1.397 1.00 2.68 N ATOM 1069 CA GLN A 108 -0.451 1.323 -1.683 1.00 3.15 C ATOM 1070 C GLN A 108 -0.876 1.094 -3.124 1.00 2.79 C ATOM 1071 O GLN A 108 -1.741 1.814 -3.650 1.00 3.57 O ATOM 1072 CB GLN A 108 -1.438 0.685 -0.718 1.00 3.90 C ATOM 1073 CG GLN A 108 -1.490 -0.808 -0.788 1.00 5.75 C ATOM 1074 CD GLN A 108 -2.386 -1.346 0.293 1.00 7.85 C ATOM 1075 OE1 GLN A 108 -1.945 -1.623 1.405 1.00 11.41 O ATOM 1076 NE2 GLN A 108 -3.663 -1.467 -0.020 1.00 7.94 N ATOM 1077 HE22 GLN A 108 -3.990 -1.220 -0.976 1.00 0.00 H ATOM 1078 HE21 GLN A 108 -4.342 -1.809 0.689 1.00 0.00 H ATOM 1079 H GLN A 108 -1.158 3.362 -1.585 1.00 0.00 H ATOM 1080 N TRP A 109 -0.287 0.080 -3.756 1.00 2.65 N ATOM 1081 CA TRP A 109 -0.600 -0.211 -5.150 1.00 2.98 C ATOM 1082 C TRP A 109 -0.235 -1.664 -5.435 1.00 2.97 C ATOM 1083 O TRP A 109 0.339 -2.356 -4.592 1.00 3.76 O ATOM 1084 CB TRP A 109 0.113 0.767 -6.092 1.00 3.92 C ATOM 1085 CG TRP A 109 1.618 0.649 -6.213 1.00 4.03 C ATOM 1086 CD1 TRP A 109 2.294 0.019 -7.218 1.00 5.95 C ATOM 1087 CD2 TRP A 109 2.622 1.220 -5.355 1.00 4.23 C ATOM 1088 NE1 TRP A 109 3.634 0.142 -7.036 1.00 5.34 N ATOM 1089 CE2 TRP A 109 3.870 0.881 -5.906 1.00 4.18 C ATOM 1090 CE3 TRP A 109 2.587 1.967 -4.173 1.00 5.62 C ATOM 1091 CZ2 TRP A 109 5.082 1.275 -5.323 1.00 4.05 C ATOM 1092 CZ3 TRP A 109 3.780 2.352 -3.599 1.00 6.34 C ATOM 1093 CH2 TRP A 109 5.007 2.010 -4.177 1.00 4.71 C ATOM 1094 HE1 TRP A 109 4.365 -0.261 -7.656 1.00 0.00 H ATOM 1095 H TRP A 109 0.403 -0.510 -3.250 1.00 0.00 H ATOM 1096 N ILE A 110 -0.604 -2.142 -6.628 1.00 3.36 N ATOM 1097 CA ILE A 110 -0.336 -3.519 -7.043 1.00 4.23 C ATOM 1098 C ILE A 110 0.486 -3.498 -8.312 1.00 4.84 C ATOM 1099 O ILE A 110 0.233 -2.686 -9.207 1.00 6.57 O ATOM 1100 CB ILE A 110 -1.651 -4.302 -7.268 1.00 5.11 C ATOM 1101 CG1 ILE A 110 -2.294 -4.629 -5.919 1.00 6.71 C ATOM 1102 CG2 ILE A 110 -1.406 -5.602 -8.027 1.00 5.40 C ATOM 1103 CD1 ILE A 110 -3.704 -5.211 -6.030 1.00 8.85 C ATOM 1104 H ILE A 110 -1.101 -1.510 -7.287 1.00 0.00 H ATOM 1105 N GLU A 111 1.477 -4.388 -8.378 1.00 5.53 N ATOM 1106 CA GLU A 111 2.228 -4.679 -9.599 1.00 6.78 C ATOM 1107 C GLU A 111 2.194 -6.191 -9.764 1.00 6.20 C ATOM 1108 O GLU A 111 2.850 -6.913 -9.014 1.00 5.94 O ATOM 1109 CB GLU A 111 3.686 -4.211 -9.478 1.00 8.41 C ATOM 1110 CG GLU A 111 3.876 -2.729 -9.184 1.00 9.19 C ATOM 1111 CD GLU A 111 5.333 -2.264 -9.171 1.00 10.93 C ATOM 1112 OE1 GLU A 111 6.242 -2.972 -9.675 1.00 11.80 O ATOM 1113 OE2 GLU A 111 5.573 -1.170 -8.639 1.00 10.50 O ATOM 1114 H GLU A 111 1.730 -4.905 -7.512 1.00 0.00 H ATOM 1115 N GLY A 112 1.407 -6.679 -10.702 1.00 7.62 N ATOM 1116 CA GLY A 112 1.347 -8.116 -10.922 1.00 7.96 C ATOM 1117 C GLY A 112 0.808 -8.841 -9.698 1.00 7.08 C ATOM 1118 O GLY A 112 -0.296 -8.540 -9.246 1.00 8.47 O ATOM 1119 H GLY A 112 0.830 -6.038 -11.284 1.00 0.00 H ATOM 1120 N ASP A 113 1.576 -9.792 -9.165 1.00 6.77 N ATOM 1121 CA ASP A 113 1.226 -10.547 -7.963 1.00 6.80 C ATOM 1122 C ASP A 113 1.747 -9.903 -6.679 1.00 5.54 C ATOM 1123 O ASP A 113 1.709 -10.549 -5.623 1.00 6.00 O ATOM 1124 CB ASP A 113 1.691 -12.024 -8.068 1.00 9.41 C ATOM 1125 CG ASP A 113 3.221 -12.210 -8.038 1.00 11.46 C ATOM 1126 OD1 ASP A 113 3.971 -11.233 -7.911 1.00 11.45 O ATOM 1127 OD2 ASP A 113 3.674 -13.393 -8.142 1.00 13.25 O ATOM 1128 H ASP A 113 2.479 -10.010 -9.633 1.00 0.00 H ATOM 1129 N GLU A 114 2.193 -8.647 -6.753 1.00 3.88 N ATOM 1130 CA GLU A 114 2.803 -7.945 -5.634 1.00 4.33 C ATOM 1131 C GLU A 114 1.926 -6.805 -5.146 1.00 3.33 C ATOM 1132 O GLU A 114 1.462 -5.983 -5.944 1.00 4.06 O ATOM 1133 CB GLU A 114 4.157 -7.367 -6.054 1.00 5.42 C ATOM 1134 CG GLU A 114 5.184 -8.450 -6.400 1.00 7.20 C ATOM 1135 CD GLU A 114 6.411 -7.932 -7.094 1.00 8.71 C ATOM 1136 OE1 GLU A 114 6.464 -6.704 -7.375 1.00 7.98 O ATOM 1137 OE2 GLU A 114 7.319 -8.779 -7.361 1.00 9.88 O ATOM 1138 H GLU A 114 2.100 -8.144 -7.658 1.00 0.00 H ATOM 1139 N LEU A 115 1.772 -6.725 -3.833 1.00 3.53 N ATOM 1140 CA LEU A 115 1.220 -5.566 -3.155 1.00 2.66 C ATOM 1141 C LEU A 115 2.397 -4.720 -2.675 1.00 2.52 C ATOM 1142 O LEU A 115 3.267 -5.216 -1.944 1.00 3.13 O ATOM 1143 CB LEU A 115 0.360 -6.022 -1.978 1.00 2.94 C ATOM 1144 CG LEU A 115 -0.296 -4.923 -1.149 1.00 4.32 C ATOM 1145 CD1 LEU A 115 -1.390 -4.327 -1.981 1.00 6.78 C ATOM 1146 CD2 LEU A 115 -0.797 -5.495 0.176 1.00 6.32 C ATOM 1147 H LEU A 115 2.063 -7.539 -3.255 1.00 0.00 H ATOM 1148 N HIS A 116 2.425 -3.462 -3.097 1.00 2.72 N ATOM 1149 CA HIS A 116 3.471 -2.500 -2.773 1.00 2.53 C ATOM 1150 C HIS A 116 2.929 -1.484 -1.790 1.00 2.64 C ATOM 1151 O HIS A 116 1.833 -0.956 -1.985 1.00 2.97 O ATOM 1152 CB HIS A 116 3.919 -1.790 -4.042 1.00 3.13 C ATOM 1153 CG HIS A 116 4.755 -2.657 -4.908 1.00 3.51 C ATOM 1154 ND1 HIS A 116 6.109 -2.452 -5.065 1.00 4.54 N ATOM 1155 CD2 HIS A 116 4.457 -3.785 -5.599 1.00 4.10 C ATOM 1156 CE1 HIS A 116 6.605 -3.400 -5.839 1.00 5.55 C ATOM 1157 NE2 HIS A 116 5.626 -4.219 -6.178 1.00 4.79 N ATOM 1158 H HIS A 116 1.644 -3.139 -3.703 1.00 0.00 H ATOM 1159 N LEU A 117 3.691 -1.230 -0.725 1.00 2.31 N ATOM 1160 CA LEU A 117 3.282 -0.283 0.312 1.00 2.10 C ATOM 1161 C LEU A 117 4.470 0.589 0.674 1.00 2.40 C ATOM 1162 O LEU A 117 5.470 0.086 1.198 1.00 3.25 O ATOM 1163 CB LEU A 117 2.774 -1.007 1.554 1.00 2.60 C ATOM 1164 CG LEU A 117 2.339 -0.119 2.712 1.00 4.11 C ATOM 1165 CD1 LEU A 117 1.166 0.800 2.359 1.00 4.67 C ATOM 1166 CD2 LEU A 117 1.977 -1.035 3.867 1.00 5.14 C ATOM 1167 H LEU A 117 4.603 -1.720 -0.629 1.00 0.00 H ATOM 1168 N GLU A 118 4.355 1.896 0.434 1.00 2.41 N ATOM 1169 CA GLU A 118 5.369 2.853 0.856 1.00 2.55 C ATOM 1170 C GLU A 118 4.802 3.609 2.037 1.00 3.38 C ATOM 1171 O GLU A 118 3.782 4.281 1.889 1.00 3.77 O ATOM 1172 CB GLU A 118 5.738 3.825 -0.266 1.00 3.59 C ATOM 1173 CG GLU A 118 6.808 4.810 0.174 1.00 4.99 C ATOM 1174 CD GLU A 118 7.163 5.813 -0.887 1.00 7.84 C ATOM 1175 OE1 GLU A 118 8.005 5.498 -1.752 1.00 9.33 O ATOM 1176 OE2 GLU A 118 6.601 6.921 -0.834 1.00 9.81 O ATOM 1177 H GLU A 118 3.514 2.243 -0.071 1.00 0.00 H ATOM 1178 N MET A 119 5.454 3.490 3.192 1.00 2.90 N ATOM 1179 CA MET A 119 5.073 4.170 4.430 1.00 3.33 C ATOM 1180 C MET A 119 6.053 5.311 4.694 1.00 3.55 C ATOM 1181 O MET A 119 7.268 5.121 4.553 1.00 3.94 O ATOM 1182 CB MET A 119 5.084 3.190 5.615 1.00 4.39 C ATOM 1183 CG MET A 119 4.059 2.027 5.514 1.00 4.56 C ATOM 1184 SD MET A 119 3.904 1.050 7.046 1.00 6.80 S ATOM 1185 CE MET A 119 5.549 0.328 7.161 1.00 8.20 C ATOM 1186 H MET A 119 6.290 2.872 3.216 1.00 0.00 H ATOM 1187 N ARG A 120 5.531 6.477 5.068 1.00 3.41 N ATOM 1188 CA ARG A 120 6.319 7.689 5.231 1.00 3.45 C ATOM 1189 C ARG A 120 6.004 8.377 6.546 1.00 3.28 C ATOM 1190 O ARG A 120 4.848 8.415 6.963 1.00 4.63 O ATOM 1191 CB ARG A 120 5.952 8.695 4.115 1.00 3.80 C ATOM 1192 CG ARG A 120 6.311 8.230 2.727 1.00 4.48 C ATOM 1193 CD ARG A 120 5.850 9.215 1.647 1.00 5.92 C ATOM 1194 NE ARG A 120 4.388 9.358 1.630 1.00 6.70 N ATOM 1195 CZ ARG A 120 3.566 8.621 0.896 1.00 6.80 C ATOM 1196 NH1 ARG A 120 4.032 7.677 0.083 1.00 6.44 N ATOM 1197 NH2 ARG A 120 2.254 8.791 0.983 1.00 7.23 N ATOM 1198 HE ARG A 120 3.968 10.090 2.237 1.00 0.00 H ATOM 1199 HH12 ARG A 120 3.372 7.108 -0.485 1.00 0.00 H ATOM 1200 HH11 ARG A 120 5.056 7.508 0.016 1.00 0.00 H ATOM 1201 HH22 ARG A 120 1.615 8.209 0.404 1.00 0.00 H ATOM 1202 HH21 ARG A 120 1.864 9.506 1.630 1.00 0.00 H ATOM 1203 H ARG A 120 4.509 6.524 5.253 1.00 0.00 H ATOM 1204 N VAL A 121 7.031 8.947 7.181 1.00 2.69 N ATOM 1205 CA VAL A 121 6.852 9.864 8.313 1.00 3.46 C ATOM 1206 C VAL A 121 8.137 10.663 8.474 1.00 4.67 C ATOM 1207 O VAL A 121 9.231 10.112 8.416 1.00 4.08 O ATOM 1208 CB VAL A 121 6.464 9.113 9.611 1.00 4.04 C ATOM 1209 CG1 VAL A 121 7.595 8.194 10.109 1.00 5.41 C ATOM 1210 CG2 VAL A 121 6.038 10.111 10.691 1.00 5.26 C ATOM 1211 H VAL A 121 7.997 8.733 6.861 1.00 0.00 H ATOM 1212 N GLU A 122 8.005 11.974 8.670 1.00 5.07 N ATOM 1213 CA GLU A 122 9.154 12.823 8.998 1.00 6.07 C ATOM 1214 C GLU A 122 10.295 12.669 7.984 1.00 6.02 C ATOM 1215 O GLU A 122 11.477 12.767 8.332 1.00 8.18 O ATOM 1216 CB GLU A 122 9.626 12.584 10.434 1.00 7.35 C ATOM 1217 CG GLU A 122 8.600 12.998 11.526 1.00 10.03 C ATOM 1218 CD GLU A 122 8.483 14.505 11.771 1.00 11.03 C ATOM 1219 OE1 GLU A 122 7.501 14.959 12.436 1.00 11.35 O ATOM 1220 OE2 GLU A 122 9.378 15.239 11.326 1.00 12.14 O ATOM 1221 H GLU A 122 7.063 12.406 8.588 1.00 0.00 H ATOM 1222 N GLY A 123 9.946 12.496 6.703 1.00 5.29 N ATOM 1223 CA GLY A 123 10.920 12.355 5.638 1.00 6.63 C ATOM 1224 C GLY A 123 11.546 10.985 5.520 1.00 6.52 C ATOM 1225 O GLY A 123 12.377 10.785 4.626 1.00 9.09 O ATOM 1226 H GLY A 123 8.935 12.461 6.462 1.00 0.00 H ATOM 1227 N VAL A 124 11.200 10.048 6.408 1.00 5.36 N ATOM 1228 CA VAL A 124 11.705 8.679 6.373 1.00 5.13 C ATOM 1229 C VAL A 124 10.757 7.854 5.526 1.00 5.01 C ATOM 1230 O VAL A 124 9.548 8.062 5.564 1.00 5.77 O ATOM 1231 CB VAL A 124 11.782 8.109 7.804 1.00 6.72 C ATOM 1232 CG1 VAL A 124 12.240 6.633 7.824 1.00 7.82 C ATOM 1233 CG2 VAL A 124 12.684 8.977 8.686 1.00 8.80 C ATOM 1234 H VAL A 124 10.535 10.308 7.164 1.00 0.00 H ATOM 1235 N VAL A 125 11.297 6.898 4.782 1.00 4.90 N ATOM 1236 CA VAL A 125 10.504 6.047 3.899 1.00 5.70 C ATOM 1237 C VAL A 125 10.805 4.585 4.220 1.00 5.39 C ATOM 1238 O VAL A 125 11.976 4.168 4.232 1.00 5.86 O ATOM 1239 CB VAL A 125 10.842 6.324 2.423 1.00 19.93 C ATOM 1240 CG1 VAL A 125 10.015 5.443 1.503 1.00 19.92 C ATOM 1241 CG2 VAL A 125 10.608 7.778 2.066 1.00 19.95 C ATOM 1242 H VAL A 125 12.325 6.749 4.829 1.00 0.00 H ATOM 1243 N CYS A 126 9.762 3.808 4.477 1.00 4.51 N ATOM 1244 CA CYS A 126 9.858 2.353 4.565 1.00 4.10 C ATOM 1245 C CYS A 126 9.057 1.750 3.425 1.00 4.31 C ATOM 1246 O CYS A 126 7.923 2.171 3.185 1.00 4.94 O ATOM 1247 CB CYS A 126 9.307 1.891 5.913 1.00 4.61 C ATOM 1248 SG CYS A 126 8.922 0.119 6.043 1.00 4.59 S ATOM 1249 H CYS A 126 8.834 4.254 4.622 1.00 0.00 H ATOM 1250 N LYS A 127 9.654 0.791 2.698 1.00 2.91 N ATOM 1251 CA LYS A 127 8.987 0.165 1.559 1.00 3.65 C ATOM 1252 C LYS A 127 8.787 -1.316 1.853 1.00 3.26 C ATOM 1253 O LYS A 127 9.755 -2.033 2.145 1.00 4.07 O ATOM 1254 CB LYS A 127 9.795 0.347 0.275 1.00 4.25 C ATOM 1255 CG LYS A 127 9.197 -0.325 -0.939 1.00 4.25 C ATOM 1256 CD LYS A 127 7.843 0.295 -1.316 1.00 4.77 C ATOM 1257 CE LYS A 127 7.093 -0.547 -2.365 1.00 4.89 C ATOM 1258 NZ LYS A 127 7.844 -0.666 -3.658 1.00 6.33 N ATOM 1259 HZ1 LYS A 127 7.995 0.282 -4.059 1.00 0.00 H ATOM 1260 HZ2 LYS A 127 8.763 -1.120 -3.483 1.00 0.00 H ATOM 1261 HZ3 LYS A 127 7.293 -1.242 -4.326 1.00 0.00 H ATOM 1262 H LYS A 127 10.615 0.487 2.952 1.00 0.00 H ATOM 1263 N GLN A 128 7.546 -1.785 1.714 1.00 2.73 N ATOM 1264 CA GLN A 128 7.210 -3.191 1.888 1.00 3.02 C ATOM 1265 C GLN A 128 6.609 -3.722 0.596 1.00 2.55 C ATOM 1266 O GLN A 128 5.904 -3.000 -0.122 1.00 3.04 O ATOM 1267 CB GLN A 128 6.223 -3.347 3.034 1.00 4.02 C ATOM 1268 CG GLN A 128 6.776 -2.849 4.342 1.00 4.61 C ATOM 1269 CD GLN A 128 5.823 -3.024 5.515 1.00 4.97 C ATOM 1270 OE1 GLN A 128 4.622 -3.166 5.334 1.00 5.68 O ATOM 1271 NE2 GLN A 128 6.366 -2.997 6.726 1.00 5.35 N ATOM 1272 HE22 GLN A 128 7.393 -2.874 6.833 1.00 0.00 H ATOM 1273 HE21 GLN A 128 5.764 -3.099 7.568 1.00 0.00 H ATOM 1274 H GLN A 128 6.786 -1.118 1.471 1.00 0.00 H ATOM 1275 N VAL A 129 6.922 -4.978 0.294 1.00 2.21 N ATOM 1276 CA VAL A 129 6.320 -5.685 -0.829 1.00 2.36 C ATOM 1277 C VAL A 129 5.831 -7.026 -0.311 1.00 2.26 C ATOM 1278 O VAL A 129 6.553 -7.726 0.418 1.00 3.25 O ATOM 1279 CB VAL A 129 7.286 -5.874 -2.022 1.00 3.65 C ATOM 1280 CG1 VAL A 129 6.548 -6.479 -3.220 1.00 5.06 C ATOM 1281 CG2 VAL A 129 7.917 -4.533 -2.408 1.00 4.68 C ATOM 1282 H VAL A 129 7.622 -5.475 0.881 1.00 0.00 H ATOM 1283 N PHE A 130 4.612 -7.379 -0.702 1.00 2.53 N ATOM 1284 CA PHE A 130 3.977 -8.640 -0.332 1.00 2.95 C ATOM 1285 C PHE A 130 3.608 -9.396 -1.600 1.00 3.69 C ATOM 1286 O PHE A 130 3.351 -8.784 -2.627 1.00 4.64 O ATOM 1287 CB PHE A 130 2.669 -8.374 0.463 1.00 3.64 C ATOM 1288 CG PHE A 130 2.843 -7.515 1.664 1.00 3.82 C ATOM 1289 CD1 PHE A 130 3.001 -6.150 1.542 1.00 4.10 C ATOM 1290 CD2 PHE A 130 2.835 -8.058 2.909 1.00 4.33 C ATOM 1291 CE1 PHE A 130 3.172 -5.346 2.669 1.00 5.23 C ATOM 1292 CE2 PHE A 130 3.029 -7.260 4.033 1.00 5.66 C ATOM 1293 CZ PHE A 130 3.204 -5.912 3.901 1.00 5.43 C ATOM 1294 H PHE A 130 4.080 -6.720 -1.306 1.00 0.00 H ATOM 1295 N LYS A 131 3.569 -10.714 -1.518 1.00 2.59 N ATOM 1296 CA LYS A 131 3.165 -11.565 -2.625 1.00 2.94 C ATOM 1297 C LYS A 131 1.783 -12.130 -2.333 1.00 3.02 C ATOM 1298 O LYS A 131 1.513 -12.585 -1.221 1.00 3.42 O ATOM 1299 CB LYS A 131 4.180 -12.705 -2.803 1.00 3.98 C ATOM 1300 CG LYS A 131 5.476 -12.247 -3.414 1.00 5.25 C ATOM 1301 CD LYS A 131 5.393 -12.096 -4.922 1.00 8.08 C ATOM 1302 CE LYS A 131 6.686 -11.570 -5.443 1.00 9.49 C ATOM 1303 NZ LYS A 131 6.647 -11.499 -6.939 1.00 11.32 N ATOM 1304 HZ1 LYS A 131 6.484 -12.451 -7.326 1.00 0.00 H ATOM 1305 HZ2 LYS A 131 5.876 -10.866 -7.235 1.00 0.00 H ATOM 1306 HZ3 LYS A 131 7.554 -11.131 -7.291 1.00 0.00 H ATOM 1307 H LYS A 131 3.840 -11.163 -0.620 1.00 0.00 H ATOM 1308 N LYS A 132 0.914 -12.137 -3.343 1.00 3.96 N ATOM 1309 CA LYS A 132 -0.419 -12.706 -3.174 1.00 3.77 C ATOM 1310 C LYS A 132 -0.277 -14.210 -3.000 1.00 2.68 C ATOM 1311 O LYS A 132 0.454 -14.860 -3.756 1.00 4.56 O ATOM 1312 CB LYS A 132 -1.298 -12.375 -4.380 1.00 6.09 C ATOM 1313 CG LYS A 132 -2.810 -12.343 -4.045 1.00 7.75 C ATOM 1314 CD LYS A 132 -3.663 -11.882 -5.190 1.00 9.83 C ATOM 1315 CE LYS A 132 -5.098 -11.616 -4.773 1.00 12.31 C ATOM 1316 NZ LYS A 132 -5.788 -12.894 -4.454 1.00 14.53 N ATOM 1317 HZ1 LYS A 132 -5.786 -13.507 -5.294 1.00 0.00 H ATOM 1318 HZ2 LYS A 132 -5.290 -13.370 -3.675 1.00 0.00 H ATOM 1319 HZ3 LYS A 132 -6.769 -12.696 -4.170 1.00 0.00 H ATOM 1320 H LYS A 132 1.189 -11.733 -4.261 1.00 0.00 H ATOM 1321 N VAL A 133 -0.945 -14.747 -1.982 1.00 3.37 N ATOM 1322 CA VAL A 133 -0.864 -16.157 -1.654 1.00 3.45 C ATOM 1323 C VAL A 133 -2.264 -16.727 -1.503 1.00 4.53 C ATOM 1324 O VAL A 133 -3.260 -16.006 -1.402 1.00 4.73 O ATOM 1325 CB VAL A 133 -0.024 -16.416 -0.388 1.00 4.36 C ATOM 1326 CG1 VAL A 133 1.448 -16.116 -0.647 1.00 4.56 C ATOM 1327 CG2 VAL A 133 -0.524 -15.596 0.798 1.00 4.96 C ATOM 1328 H VAL A 133 -1.548 -14.132 -1.399 1.00 0.00 H ATOM 1329 N GLN A 134 -2.324 -18.049 -1.496 1.00 3.95 N ATOM 1330 CA GLN A 134 -3.597 -18.758 -1.543 1.00 4.31 C ATOM 1331 C GLN A 134 -3.828 -19.709 -0.382 1.00 4.57 C ATOM 1332 O GLN A 134 -4.945 -20.218 -0.244 1.00 5.38 O ATOM 1333 CB GLN A 134 -3.736 -19.530 -2.871 1.00 4.54 C ATOM 1334 CG GLN A 134 -3.401 -18.701 -4.113 1.00 4.24 C ATOM 1335 CD GLN A 134 -4.242 -17.434 -4.308 1.00 5.23 C ATOM 1336 OE1 GLN A 134 -5.399 -17.345 -3.890 1.00 4.65 O ATOM 1337 NE2 GLN A 134 -3.651 -16.444 -4.951 1.00 6.24 N ATOM 1338 HE22 GLN A 134 -2.674 -16.554 -5.290 1.00 0.00 H ATOM 1339 HE21 GLN A 134 -4.163 -15.554 -5.119 1.00 0.00 H ATOM 1340 H GLN A 134 -1.440 -18.596 -1.456 1.00 0.00 H ATOM 1341 N HIS A 135 -2.821 -20.028 0.418 1.00 5.31 N ATOM 1342 CA HIS A 135 -3.018 -20.923 1.551 1.00 6.39 C ATOM 1343 C HIS A 135 -3.477 -20.086 2.749 1.00 7.97 C ATOM 1344 O HIS A 135 -2.725 -19.253 3.274 1.00 11.76 O ATOM 1345 CB HIS A 135 -1.732 -21.675 1.889 1.00 5.78 C ATOM 1346 CG HIS A 135 -1.940 -22.739 2.914 1.00 6.49 C ATOM 1347 ND1 HIS A 135 -2.556 -23.938 2.626 1.00 7.60 N ATOM 1348 CD2 HIS A 135 -1.654 -22.767 4.232 1.00 8.69 C ATOM 1349 CE1 HIS A 135 -2.629 -24.666 3.727 1.00 8.86 C ATOM 1350 NE2 HIS A 135 -2.093 -23.977 4.716 1.00 10.40 N ATOM 1351 H HIS A 135 -1.876 -19.634 0.235 1.00 0.00 H ATOM 1352 N HIS A 136 -4.716 -20.263 3.170 1.00 9.22 N ATOM 1353 CA HIS A 136 -5.214 -19.335 4.178 1.00 10.32 C ATOM 1354 C HIS A 136 -4.946 -19.890 5.562 1.00 11.61 C ATOM 1355 O HIS A 136 -4.613 -21.059 5.729 1.00 12.06 O ATOM 1356 CB HIS A 136 -6.702 -19.038 3.979 1.00 10.38 C ATOM 1357 CG HIS A 136 -7.212 -17.846 4.738 1.00 9.75 C ATOM 1358 ND1 HIS A 136 -8.276 -17.915 5.617 1.00 9.88 N ATOM 1359 CD2 HIS A 136 -6.829 -16.545 4.714 1.00 8.98 C ATOM 1360 CE1 HIS A 136 -8.521 -16.714 6.108 1.00 8.32 C ATOM 1361 NE2 HIS A 136 -7.644 -15.867 5.595 1.00 7.62 N ATOM 1362 H HIS A 136 -5.311 -21.031 2.799 1.00 0.00 H ATOM 1363 N HIS A 137 -5.055 -19.017 6.552 1.00 13.84 N ATOM 1364 CA HIS A 137 -4.936 -19.358 7.974 1.00 16.11 C ATOM 1365 C HIS A 137 -6.039 -18.625 8.721 1.00 15.21 C ATOM 1366 O HIS A 137 -6.321 -17.457 8.436 1.00 16.51 O ATOM 1367 CB HIS A 137 -3.557 -18.999 8.610 1.00 18.27 C ATOM 1368 CG HIS A 137 -3.307 -19.626 9.964 1.00 22.17 C ATOM 1369 ND1 HIS A 137 -4.032 -19.298 11.092 1.00 24.07 N ATOM 1370 CD2 HIS A 137 -2.384 -20.535 10.369 1.00 23.82 C ATOM 1371 CE1 HIS A 137 -3.576 -19.985 12.128 1.00 24.49 C ATOM 1372 NE2 HIS A 137 -2.572 -20.739 11.718 1.00 24.89 N ATOM 1373 H HIS A 137 -5.237 -18.023 6.305 1.00 0.00 H ATOM 1374 N HIS A 138 -6.686 -19.325 9.644 1.00 14.28 N ATOM 1375 CA HIS A 138 -7.712 -18.707 10.477 1.00 14.95 C ATOM 1376 C HIS A 138 -7.132 -17.599 11.356 1.00 14.52 C ATOM 1377 O HIS A 138 -5.978 -17.655 11.785 1.00 16.36 O ATOM 1378 CB HIS A 138 -8.327 -19.783 11.376 1.00 15.99 C ATOM 1379 CG HIS A 138 -9.459 -19.289 12.208 1.00 16.54 C ATOM 1380 ND1 HIS A 138 -9.386 -19.189 13.583 1.00 17.76 N ATOM 1381 CD2 HIS A 138 -10.684 -18.834 11.861 1.00 16.44 C ATOM 1382 CE1 HIS A 138 -10.528 -18.706 14.044 1.00 18.69 C ATOM 1383 NE2 HIS A 138 -11.335 -18.493 13.019 1.00 19.48 N ATOM 1384 H HIS A 138 -6.458 -20.331 9.776 1.00 0.00 H ATOM 1385 N HIS A 139 -7.949 -16.581 11.651 1.00 13.15 N ATOM 1386 CA HIS A 139 -7.522 -15.518 12.552 1.00 12.99 C ATOM 1387 C HIS A 139 -8.742 -14.908 13.229 1.00 13.32 C ATOM 1388 O HIS A 139 -9.888 -15.265 12.948 1.00 13.85 O ATOM 1389 CB HIS A 139 -6.768 -14.435 11.792 1.00 14.33 C ATOM 1390 CG HIS A 139 -7.525 -13.918 10.619 1.00 14.37 C ATOM 1391 ND1 HIS A 139 -8.518 -12.967 10.735 1.00 15.52 N ATOM 1392 CD2 HIS A 139 -7.467 -14.246 9.306 1.00 14.11 C ATOM 1393 CE1 HIS A 139 -9.025 -12.717 9.539 1.00 15.64 C ATOM 1394 NE2 HIS A 139 -8.416 -13.494 8.659 1.00 14.22 N ATOM 1395 H HIS A 139 -8.900 -16.548 11.232 1.00 0.00 H ATOM 1396 N HIS A 140 -8.482 -13.966 14.122 1.00 15.01 N ATOM 1397 CA HIS A 140 -9.560 -13.273 14.805 1.00 14.40 C ATOM 1398 C HIS A 140 -10.369 -12.429 13.824 1.00 18.80 C ATOM 1399 O HIS A 140 -11.574 -12.219 14.018 1.00 21.08 O ATOM 1400 CB HIS A 140 -8.973 -12.371 15.891 1.00 14.94 C ATOM 1401 CG HIS A 140 -9.999 -11.728 16.763 1.00 17.17 C ATOM 1402 ND1 HIS A 140 -10.735 -12.426 17.696 1.00 17.86 N ATOM 1403 CD2 HIS A 140 -10.420 -10.443 16.837 1.00 19.78 C ATOM 1404 CE1 HIS A 140 -11.558 -11.598 18.314 1.00 19.69 C ATOM 1405 NE2 HIS A 140 -11.387 -10.388 17.812 1.00 20.90 N ATOM 1406 OXT HIS A 140 -9.826 -11.922 12.840 1.00 19.09 O ATOM 1407 H HIS A 140 -7.495 -13.720 14.337 1.00 0.00 H TER 1408 HIS A 140 HETATM 1409 O HOH 1 -9.685 -8.764 5.969 1.00 7.26 O HETATM 1410 O HOH 2 -8.307 19.053 10.804 1.00 23.63 O HETATM 1411 O HOH 3 3.867 -12.479 5.795 1.00 29.98 O HETATM 1412 O HOH 4 -15.800 6.907 -1.591 1.00 13.91 O HETATM 1413 O HOH 5 -8.281 -22.731 6.709 1.00 30.03 O HETATM 1414 O HOH 6 -10.633 -7.760 11.989 1.00 22.35 O HETATM 1415 O HOH 7 -9.969 6.561 18.456 1.00 28.06 O HETATM 1416 O HOH 8 4.975 -13.569 6.700 1.00 18.02 O HETATM 1417 O HOH 9 -6.233 -23.134 5.296 1.00 13.47 O HETATM 1418 O HOH 10 -0.117 8.394 22.548 1.00 12.78 O HETATM 1419 O HOH 11 -6.139 -8.382 -5.253 1.00 13.12 O HETATM 1420 O HOH 12 -16.326 8.319 0.325 1.00 19.69 O HETATM 1421 O HOH 13 10.359 -7.303 9.279 1.00 16.43 O HETATM 1422 O HOH 14 -11.659 3.461 10.904 1.00 10.19 O HETATM 1423 O HOH 15 12.901 -4.787 9.697 1.00 16.28 O HETATM 1424 O HOH 16 14.298 9.561 3.459 1.00 16.15 O HETATM 1425 O HOH 17 7.745 -5.271 -9.138 1.00 13.52 O HETATM 1426 O HOH 18 -12.057 -15.919 14.281 1.00 12.01 O HETATM 1427 O HOH 19 -7.912 -6.098 -11.073 1.00 14.00 O HETATM 1428 O HOH 20 -13.132 14.530 10.832 1.00 22.46 O HETATM 1429 O HOH 21 17.672 -0.899 1.428 1.00 9.48 O HETATM 1430 O HOH 22 15.571 8.213 18.135 1.00 29.81 O HETATM 1431 O HOH 23 10.053 11.811 14.861 1.00 20.83 O HETATM 1432 O HOH 24 6.116 17.513 20.248 1.00 18.05 O HETATM 1433 O HOH 25 7.154 14.686 17.852 1.00 23.86 O HETATM 1434 O HOH 26 -15.548 9.249 9.343 1.00 20.56 O HETATM 1435 O HOH 27 13.567 1.506 -1.956 1.00 12.92 O HETATM 1436 O HOH 28 2.583 6.014 7.830 1.00 9.71 O HETATM 1437 O HOH 29 -17.279 1.868 5.835 1.00 10.47 O HETATM 1438 O HOH 30 -2.200 -0.377 -8.402 1.00 9.15 O HETATM 1439 O HOH 31 11.942 15.515 12.062 1.00 16.45 O HETATM 1440 O HOH 32 -7.054 4.412 -12.830 1.00 23.18 O HETATM 1441 O HOH 33 8.202 -8.636 -9.890 1.00 12.26 O HETATM 1442 O HOH 34 5.926 1.312 -9.599 1.00 14.04 O HETATM 1443 O HOH 35 -2.460 3.365 8.609 1.00 6.58 O HETATM 1444 O HOH 36 -10.931 5.567 16.244 1.00 19.47 O HETATM 1445 O HOH 37 3.749 1.528 21.235 1.00 12.19 O HETATM 1446 O HOH 38 -16.641 -3.602 9.032 1.00 22.14 O HETATM 1447 O HOH 39 1.191 -1.243 -11.284 1.00 18.09 O HETATM 1448 O HOH 40 6.625 -13.807 4.842 1.00 11.99 O HETATM 1449 O HOH 41 -2.869 -0.961 -12.522 1.00 22.77 O HETATM 1450 O HOH 42 -2.886 -2.914 17.484 1.00 29.54 O HETATM 1451 O HOH 43 -13.217 -5.361 -8.195 1.00 19.70 O HETATM 1452 O HOH 44 -7.081 13.608 7.192 1.00 8.95 O HETATM 1453 O HOH 45 -12.863 -4.447 11.651 1.00 21.66 O HETATM 1454 O HOH 46 -10.716 7.645 4.446 1.00 8.81 O HETATM 1455 O HOH 47 14.035 12.342 7.520 1.00 18.45 O HETATM 1456 O HOH 48 15.980 1.084 9.095 1.00 8.87 O HETATM 1457 O HOH 49 13.635 -3.131 7.571 1.00 9.39 O HETATM 1458 O HOH 50 -0.788 -16.408 -5.618 1.00 7.39 O HETATM 1459 O HOH 51 -7.564 0.588 21.088 1.00 21.44 O HETATM 1460 O HOH 52 -3.699 -2.620 8.807 1.00 4.95 O HETATM 1461 O HOH 53 -13.613 6.915 -3.751 1.00 15.17 O HETATM 1462 O HOH 54 10.659 -15.949 5.617 1.00 17.50 O HETATM 1463 O HOH 55 0.798 12.532 12.019 1.00 5.80 O HETATM 1464 O HOH 56 14.363 7.578 12.141 1.00 14.40 O HETATM 1465 O HOH 57 -19.301 -2.980 3.181 1.00 5.64 O HETATM 1466 O HOH 58 -5.144 -14.019 -2.045 1.00 3.56 O HETATM 1467 O HOH 59 -9.296 5.752 -9.151 1.00 17.41 O HETATM 1468 O HOH 60 -3.050 3.428 23.199 1.00 21.76 O HETATM 1469 O HOH 61 9.649 3.316 -1.943 1.00 12.72 O HETATM 1470 O HOH 62 7.135 5.812 -4.333 1.00 24.10 O HETATM 1471 O HOH 63 0.108 -0.410 22.934 1.00 17.23 O HETATM 1472 O HOH 64 17.378 2.974 15.194 1.00 34.39 O HETATM 1473 O HOH 65 1.983 -15.279 -9.205 1.00 15.62 O HETATM 1474 O HOH 66 4.605 6.633 21.233 1.00 20.87 O HETATM 1475 O HOH 67 -3.032 5.795 23.323 1.00 18.93 O HETATM 1476 O HOH 68 15.372 -7.653 16.596 1.00 17.47 O HETATM 1477 O HOH 69 1.386 -7.576 21.262 1.00 13.30 O HETATM 1478 O HOH 70 12.183 -2.629 -1.640 1.00 16.54 O HETATM 1479 O HOH 71 -18.449 -6.256 -2.834 1.00 11.61 O HETATM 1480 O HOH 72 0.616 10.734 2.292 1.00 12.85 O HETATM 1481 O HOH 73 -5.247 -14.424 -6.690 1.00 19.84 O HETATM 1482 O HOH 74 -18.354 5.929 -0.121 1.00 19.82 O HETATM 1483 O HOH 75 -13.969 13.521 5.245 1.00 21.69 O HETATM 1484 O HOH 76 13.328 13.918 10.033 1.00 14.11 O HETATM 1485 O HOH 77 18.300 3.819 6.754 1.00 11.44 O HETATM 1486 O HOH 78 8.769 -1.896 -10.012 1.00 21.74 O HETATM 1487 O HOH 79 -7.116 1.585 12.419 1.00 6.88 O HETATM 1488 O HOH 80 2.717 -16.328 -4.421 1.00 8.20 O HETATM 1489 O HOH 81 -5.093 0.025 16.967 1.00 14.90 O HETATM 1490 O HOH 82 -8.562 -12.831 -4.253 1.00 17.64 O HETATM 1491 O HOH 83 9.716 16.487 8.862 1.00 13.58 O HETATM 1492 O HOH 84 -10.238 10.049 -4.926 1.00 13.27 O HETATM 1493 O HOH 85 -10.167 17.240 11.466 1.00 19.22 O HETATM 1494 O HOH 86 -7.412 -21.461 0.101 1.00 10.75 O HETATM 1495 O HOH 87 7.451 9.342 -1.915 1.00 16.99 O HETATM 1496 O HOH 88 -10.778 11.897 -0.517 1.00 14.77 O HETATM 1497 O HOH 89 2.516 -2.389 6.986 1.00 10.08 O HETATM 1498 O HOH 90 7.410 12.184 5.175 1.00 6.40 O HETATM 1499 O HOH 91 -5.981 11.054 1.224 1.00 10.65 O HETATM 1500 O HOH 92 -18.813 1.341 -0.331 1.00 12.62 O HETATM 1501 O HOH 93 -14.356 -4.180 3.380 1.00 6.09 O HETATM 1502 O HOH 94 4.361 -15.548 -6.489 1.00 16.84 O HETATM 1503 O HOH 95 -16.651 -5.767 3.920 1.00 6.54 O HETATM 1504 O HOH 96 1.672 4.635 10.972 1.00 8.13 O HETATM 1505 O HOH 97 -11.545 -5.698 -10.370 1.00 25.49 O HETATM 1506 O HOH 98 -14.432 5.888 -5.440 1.00 28.29 O HETATM 1507 O HOH 99 -0.773 11.876 16.216 1.00 5.35 O HETATM 1508 O HOH 100 6.964 -14.404 13.608 1.00 14.94 O HETATM 1509 O HOH 101 -15.641 1.174 7.984 1.00 12.53 O HETATM 1510 O HOH 102 -0.166 10.572 -0.338 1.00 12.25 O HETATM 1511 O HOH 103 -9.402 13.908 19.278 1.00 12.78 O HETATM 1512 O HOH 104 -7.419 -15.637 -4.871 1.00 13.29 O HETATM 1513 O HOH 105 -0.234 -5.137 -12.407 1.00 22.40 O HETATM 1514 O HOH 106 -10.270 14.770 4.522 1.00 19.75 O HETATM 1515 O HOH 107 -2.318 -9.509 -7.516 1.00 17.43 O HETATM 1516 O HOH 108 10.249 7.203 -2.083 1.00 14.88 O HETATM 1517 O HOH 109 -1.809 7.314 -9.928 1.00 23.14 O HETATM 1518 O HOH 110 12.919 7.034 18.589 1.00 12.63 O HETATM 1519 O HOH 111 1.091 12.306 4.373 1.00 14.21 O HETATM 1520 O HOH 112 -1.834 -12.093 16.282 1.00 13.54 O HETATM 1521 O HOH 113 -7.416 -8.697 15.361 1.00 19.26 O HETATM 1522 O HOH 114 -8.659 3.080 14.226 1.00 8.36 O HETATM 1523 O HOH 115 8.807 1.903 -4.447 1.00 16.33 O HETATM 1524 O HOH 116 -2.527 5.288 -11.211 1.00 26.67 O HETATM 1525 O HOH 117 5.942 5.127 22.186 1.00 20.66 O HETATM 1526 O HOH 118 0.975 13.944 8.278 1.00 9.27 O HETATM 1527 O HOH 119 2.939 -15.964 6.852 1.00 19.64 O HETATM 1528 O HOH 120 -4.358 -15.439 9.259 1.00 24.52 O HETATM 1529 O HOH 121 -2.431 -7.507 -10.854 1.00 19.12 O HETATM 1530 O HOH 122 -10.718 13.498 16.810 1.00 16.58 O HETATM 1531 O HOH 123 12.521 3.285 24.011 1.00 16.36 O HETATM 1532 O HOH 124 10.277 -2.184 -3.643 1.00 15.46 O HETATM 1533 O HOH 125 12.737 2.498 2.026 1.00 9.82 O HETATM 1534 O HOH 126 -19.730 1.303 3.184 1.00 11.92 O HETATM 1535 O HOH 127 12.010 -6.766 23.289 1.00 16.26 O HETATM 1536 O HOH 128 -12.129 1.114 12.359 1.00 14.75 O HETATM 1537 O HOH 129 3.501 11.228 3.640 1.00 9.19 O HETATM 1538 O HOH 130 -13.965 6.048 7.307 1.00 17.64 O HETATM 1539 O HOH 131 14.161 7.047 4.394 1.00 9.54 O HETATM 1540 O HOH 132 2.661 17.173 7.382 1.00 15.23 O HETATM 1541 O HOH 133 9.325 -13.942 13.661 1.00 22.36 O HETATM 1542 O HOH 134 -5.745 -2.428 15.483 1.00 11.56 O HETATM 1543 O HOH 135 0.560 15.603 10.435 1.00 11.24 O HETATM 1544 O HOH 136 -13.842 8.461 13.048 1.00 20.80 O HETATM 1545 O HOH 137 -8.586 -1.129 14.834 1.00 15.26 O HETATM 1546 O HOH 138 8.894 10.302 3.823 1.00 8.86 O HETATM 1547 O HOH 139 -14.144 -1.640 -5.016 1.00 17.90 O HETATM 1548 O HOH 140 15.155 -2.753 16.739 1.00 17.91 O HETATM 1549 O HOH 141 15.525 -2.066 19.218 1.00 12.11 O HETATM 1550 O HOH 142 13.105 12.092 10.656 1.00 12.99 O HETATM 1551 O HOH 143 -11.918 17.110 7.871 1.00 22.33 O HETATM 1552 O HOH 144 7.049 16.305 14.989 1.00 18.88 O HETATM 1553 O HOH 145 2.323 8.396 -4.700 1.00 16.57 O HETATM 1554 O HOH 146 -14.329 0.990 11.723 1.00 15.58 O HETATM 1555 O HOH 147 -9.166 2.139 10.499 1.00 9.72 O HETATM 1556 O HOH 148 -8.146 0.443 -12.720 1.00 34.57 O HETATM 1557 O HOH 149 1.349 11.249 14.318 1.00 5.25 O HETATM 1558 O HOH 150 -6.215 -22.149 10.317 1.00 27.68 O HETATM 1559 O HOH 151 1.450 -6.768 23.747 1.00 21.45 O HETATM 1560 O HOH 152 5.366 -7.490 -10.426 1.00 15.14 O HETATM 1561 O HOH 153 16.216 -2.440 5.384 1.00 6.65 O HETATM 1562 O HOH 154 -6.295 -5.552 -8.981 1.00 14.84 O HETATM 1563 O HOH 155 1.695 -18.546 4.677 1.00 11.69 O HETATM 1564 O HOH 156 14.496 5.094 20.788 1.00 25.48 O HETATM 1565 O HOH 157 3.876 -10.535 -10.907 1.00 21.02 O HETATM 1566 O HOH 158 6.083 2.623 21.946 1.00 19.99 O HETATM 1567 O HOH 159 15.891 6.643 6.770 1.00 13.71 O HETATM 1568 O HOH 160 8.043 -0.363 -7.146 1.00 19.62 O HETATM 1569 O HOH 161 12.263 10.139 16.664 1.00 20.42 O HETATM 1570 O HOH 162 16.378 8.009 9.061 1.00 28.85 O HETATM 1571 O HOH 163 5.796 19.279 14.068 1.00 17.09 O HETATM 1572 O HOH 164 3.039 -0.996 22.581 1.00 19.13 O HETATM 1573 O HOH 165 6.390 -13.227 -9.474 1.00 14.64 O HETATM 1574 O HOH 166 -4.441 -5.657 17.892 1.00 33.97 O HETATM 1575 O HOH 167 -12.234 -10.143 11.901 1.00 19.03 O HETATM 1576 O HOH 168 15.289 -1.624 9.070 1.00 12.39 O HETATM 1577 O HOH 169 2.342 0.142 21.087 1.00 27.54 O HETATM 1578 O HOH 170 -11.360 8.391 -3.027 1.00 14.54 O HETATM 1579 O HOH 171 -4.382 11.961 -0.618 1.00 15.65 O HETATM 1580 O HOH 172 5.418 11.842 21.953 1.00 6.32 O HETATM 1581 O HOH 173 -10.179 -1.055 12.997 1.00 18.63 O HETATM 1582 O HOH 174 -2.617 -2.352 -10.438 1.00 17.89 O HETATM 1583 O HOH 175 4.277 -3.435 9.021 1.00 13.80 O HETATM 1584 O HOH 176 -12.655 5.394 12.707 1.00 18.12 O HETATM 1585 O HOH 177 13.791 13.413 3.599 1.00 22.59 O HETATM 1586 O HOH 178 3.206 -13.924 9.781 1.00 30.30 O HETATM 1587 O HOH 179 -10.743 -9.247 -6.400 1.00 16.57 O HETATM 1588 O HOH 180 0.570 18.297 10.089 1.00 14.23 O HETATM 1589 O HOH 181 4.440 6.677 -3.183 1.00 18.37 O HETATM 1590 O HOH 182 5.188 -12.409 12.048 1.00 4.30 O HETATM 1591 O HOH 183 6.082 16.985 6.096 1.00 21.68 O HETATM 1592 O HOH 184 -11.990 -13.954 10.767 1.00 27.67 O HETATM 1593 O HOH 185 -13.441 4.640 9.950 1.00 17.30 O HETATM 1594 O HOH 186 2.299 -20.421 4.626 1.00 11.09 O HETATM 1595 O HOH 187 -10.919 3.721 12.667 1.00 25.30 O HETATM 1596 O HOH 188 -1.269 -6.292 22.060 1.00 26.27 O HETATM 1597 O HOH 189 -18.043 -0.260 8.233 1.00 15.39 O HETATM 1598 O HOH 190 13.948 9.461 14.151 1.00 15.06 O HETATM 1599 O HOH 191 -13.726 11.940 11.901 1.00 23.10 O HETATM 1600 O HOH 192 17.439 0.036 5.783 1.00 14.87 O HETATM 1601 O HOH 193 15.958 2.743 -0.930 1.00 16.17 O HETATM 1602 O HOH 194 -8.899 13.940 -1.359 1.00 20.43 O HETATM 1603 O HOH 195 -2.395 -13.200 13.204 1.00 21.38 O HETATM 1604 O HOH 196 13.155 -8.979 22.859 1.00 20.24 O HETATM 1605 O HOH 197 -16.038 11.113 -0.144 1.00 26.63 O HETATM 1606 O HOH 198 -4.338 -15.733 14.189 1.00 25.23 O HETATM 1607 O HOH 199 -0.895 -2.853 22.057 1.00 13.68 O HETATM 1608 O HOH 200 3.763 -6.118 25.034 1.00 19.53 O HETATM 1609 O HOH 201 -8.041 16.990 4.660 1.00 20.12 O HETATM 1610 O HOH 202 7.949 15.573 7.033 1.00 21.65 O HETATM 1611 O HOH 203 -5.562 -18.380 -7.351 1.00 6.21 O HETATM 1612 O HOH 204 -15.692 3.112 9.745 1.00 17.95 O HETATM 1613 O HOH 205 -6.150 14.849 4.923 1.00 17.11 O HETATM 1614 O HOH 206 0.622 -13.917 11.332 1.00 24.08 O HETATM 1615 O HOH 207 4.112 -7.663 -12.943 1.00 22.15 O HETATM 1616 O HOH 208 5.921 11.371 -1.010 1.00 16.33 O HETATM 1617 O HOH 209 -0.248 2.736 10.219 1.00 15.17 O HETATM 1618 O HOH 210 11.326 -8.477 7.634 1.00 19.97 O HETATM 1619 O HOH 211 4.034 -5.295 -12.894 1.00 22.44 O HETATM 1620 O HOH 212 16.825 -3.119 10.968 1.00 16.59 O HETATM 1621 O HOH 213 -10.572 -7.144 14.596 1.00 29.12 O HETATM 1622 O HOH 214 15.657 10.503 6.434 1.00 19.95 O HETATM 1623 O HOH 215 0.549 -10.709 -12.680 1.00 21.12 O HETATM 1624 O HOH 216 3.736 6.065 -5.644 1.00 21.74 O HETATM 1625 O HOH 217 18.345 1.048 10.441 1.00 21.92 O HETATM 1626 O HOH 218 -0.636 -12.345 -11.004 1.00 18.21 O HETATM 1627 O HOH 219 15.429 5.623 2.409 1.00 22.90 O HETATM 1628 O HOH 220 -1.042 -21.195 7.308 1.00 20.52 O HETATM 1629 O HOH 221 -6.784 -0.876 18.822 1.00 20.56 O HETATM 1630 O HOH 222 -9.368 5.219 -11.799 1.00 18.23 O HETATM 1631 O HOH 223 -21.647 2.870 1.940 1.00 10.97 O HETATM 1632 O HOH 224 -0.289 1.158 -9.840 1.00 18.94 O HETATM 1633 O HOH 225 12.844 -9.508 20.896 1.00 18.71 O HETATM 1634 O HOH 226 -2.708 -3.557 20.213 1.00 18.86 O HETATM 1635 O HOH 227 -6.495 20.256 12.827 1.00 23.24 O HETATM 1636 O HOH 228 -2.008 -12.122 -8.660 1.00 19.48 O HETATM 1637 O HOH 229 -18.621 -2.860 8.939 1.00 11.33 O HETATM 1638 O HOH 230 4.352 13.360 2.152 1.00 17.26 O HETATM 1639 O HOH 231 -3.077 -18.526 -8.368 1.00 17.92 O HETATM 1640 O HOH 232 1.240 -22.610 6.583 1.00 16.74 O HETATM 1641 O HOH 233 19.716 4.910 8.781 1.00 15.53 O HETATM 1642 O HOH 234 11.952 3.264 -0.480 1.00 10.96 O HETATM 1643 O HOH 235 2.099 -3.451 -13.129 1.00 22.68 O HETATM 1644 O HOH 236 3.524 4.259 -6.525 1.00 18.00 O HETATM 1645 O HOH 237 -18.091 -6.009 6.272 1.00 8.60 O HETATM 1646 O HOH 238 -20.386 6.971 1.096 1.00 20.96 O HETATM 1647 O HOH 239 -19.512 7.088 3.127 1.00 18.44 O HETATM 1648 O HOH 240 -11.710 11.081 -2.741 1.00 14.93 O HETATM 1649 O HOH 241 -6.412 13.701 2.170 1.00 15.92 O HETATM 1650 O HOH 242 14.043 -5.826 24.906 1.00 25.21 O HETATM 1651 O HOH 243 0.522 15.889 6.292 1.00 16.25 O HETATM 1652 O HOH 244 -16.598 -6.892 8.447 1.00 17.05 O HETATM 1653 O HOH 245 -15.370 2.472 12.505 1.00 20.51 O HETATM 1654 O HOH 246 -4.727 -9.361 -7.244 1.00 12.75 O HETATM 1655 O HOH 247 -1.235 -15.995 11.641 1.00 16.29 O HETATM 1656 O HOH 248 -11.767 -3.140 13.515 1.00 24.82 O HETATM 1657 O HOH 249 -14.378 8.076 15.831 1.00 18.60 O HETATM 1658 O HOH 250 -9.413 0.874 15.998 1.00 18.49 O HETATM 1659 O HOH 251 -18.972 6.081 5.456 1.00 15.91 O HETATM 1660 O HOH 252 -14.940 -7.524 -9.069 1.00 21.48 O HETATM 1661 O HOH 253 12.226 14.048 14.485 1.00 12.31 O HETATM 1662 O HOH 254 9.981 9.790 -0.934 1.00 12.94 O HETATM 1663 O HOH 255 -6.641 -4.489 16.938 1.00 16.43 O HETATM 1664 O HOH 256 17.480 -3.310 20.889 1.00 28.40 O HETATM 1665 O HOH 257 -0.825 -14.856 -8.067 1.00 20.42 O HETATM 1666 O HOH 258 16.419 12.779 4.240 1.00 19.86 O HETATM 1667 O HOH 259 -4.990 -7.825 -9.398 1.00 20.97 O HETATM 1668 O HOH 260 -6.309 -25.799 4.426 1.00 20.87 O HETATM 1669 O HOH 261 7.709 3.910 -6.063 1.00 13.05 O HETATM 1670 O HOH 262 12.600 5.806 -1.330 1.00 16.67 O HETATM 1671 O HOH 263 -5.439 14.630 -0.694 1.00 25.97 O HETATM 1672 O HOH 264 16.877 -5.154 16.592 1.00 23.18 O HETATM 1673 O HOH 265 12.504 11.759 12.743 1.00 15.38 O HETATM 1674 O HOH 266 -6.893 -6.514 -13.614 1.00 15.40 O HETATM 1675 O HOH 267 -13.378 -6.819 -12.212 1.00 20.83 O HETATM 1676 O HOH 268 16.926 -9.456 17.961 1.00 17.21 O HETATM 1677 O HOH 269 -6.389 6.730 -13.737 1.00 23.45 O HETATM 1678 O HOH 270 -4.185 16.857 4.509 1.00 23.75 O HETATM 1679 O HOH 271 16.884 9.763 3.045 1.00 18.48 O HETATM 1680 O HOH 272 17.656 -3.726 23.244 1.00 23.23 O HETATM 1681 O HOH 273 -1.541 -20.398 -7.150 1.00 11.09 O HETATM 1682 O HOH 274 0.743 14.966 3.770 1.00 15.39 O HETATM 1683 O HOH 275 -4.236 -4.586 -10.543 1.00 19.61 O HETATM 1684 O HOH 276 -12.711 1.463 -11.693 1.00 20.07 O HETATM 1685 O HOH 277 -2.129 17.392 6.405 1.00 19.53 O HETATM 1686 O HOH 278 20.744 6.830 7.724 1.00 12.77 O HETATM 1687 O HOH 279 -11.895 3.050 -10.814 1.00 27.03 O HETATM 1688 O HOH 280 -10.490 -4.689 15.528 1.00 20.07 O HETATM 1689 O HOH 281 -7.900 -3.024 19.068 1.00 17.83 O HETATM 1690 O HOH 282 12.806 -5.677 27.374 1.00 24.85 O HETATM 1691 O HOH 283 13.681 5.479 -3.799 1.00 17.48 O HETATM 1692 O HOH 284 -5.622 22.610 12.580 1.00 18.73 O HETATM 1693 O HOH 285 19.163 -3.372 25.217 1.00 17.01 O HETATM 1694 NAA RNE A 286 -1.594 -1.571 4.244 1.00 0.23 N HETATM 1695 CAB RNE A 286 -1.845 -0.329 5.050 1.00 -0.01 C HETATM 1696 CAC RNE A 286 -1.316 -0.632 6.463 1.00 -0.03 C HETATM 1697 CAD RNE A 286 -0.453 0.069 7.220 1.00 -0.06 C HETATM 1698 CAG RNE A 286 -0.077 -0.649 8.535 1.00 -0.08 C HETATM 1699 CAF RNE A 286 1.117 -0.429 9.156 1.00 -0.08 C HETATM 1700 CAE RNE A 286 1.434 -1.308 10.365 1.00 -0.07 C HETATM 1701 CAH RNE A 286 2.537 -1.177 11.136 1.00 -0.05 C HETATM 1702 CAI RNE A 286 2.645 -2.198 12.259 1.00 -0.06 C HETATM 1703 CAJ RNE A 286 3.672 -2.192 13.125 1.00 -0.07 C HETATM 1704 CAK RNE A 286 3.769 -3.193 14.321 1.00 -0.06 C HETATM 1705 CAL RNE A 286 4.516 -2.811 15.363 1.00 0.02 C HETATM 1706 CAM RNE A 286 4.636 -3.593 16.677 1.00 0.04 C HETATM 1707 CAN RNE A 286 3.639 -4.741 16.725 1.00 -0.04 C HETATM 1708 CAO RNE A 286 3.504 -5.443 15.419 1.00 -0.10 C HETATM 1709 CAP RNE A 286 2.976 -4.526 14.344 1.00 -0.10 C HETATM 1710 CAQ RNE A 286 3.108 -5.306 13.042 1.00 -0.12 C HETATM 1711 H18 RNE A 286 2.738 -4.692 12.208 1.00 0.00 H HETATM 1712 H19 RNE A 286 2.516 -6.231 13.107 1.00 0.00 H HETATM 1713 H20 RNE A 286 4.165 -5.558 12.871 1.00 0.00 H HETATM 1714 CAR RNE A 286 1.488 -4.293 14.610 1.00 -0.12 C HETATM 1715 H21 RNE A 286 1.367 -3.730 15.547 1.00 0.00 H HETATM 1716 H22 RNE A 286 0.975 -5.262 14.695 1.00 0.00 H HETATM 1717 H23 RNE A 286 1.052 -3.719 13.779 1.00 0.00 H HETATM 1718 H16 RNE A 286 2.810 -6.288 15.539 1.00 0.01 H HETATM 1719 H17 RNE A 286 4.491 -5.819 15.113 1.00 0.01 H HETATM 1720 H14 RNE A 286 2.655 -4.341 17.012 1.00 0.03 H HETATM 1721 H15 RNE A 286 3.974 -5.466 17.481 1.00 0.03 H HETATM 1722 H12 RNE A 286 4.441 -2.913 17.519 1.00 0.07 H HETATM 1723 H13 RNE A 286 5.655 -3.999 16.762 1.00 0.07 H HETATM 1724 CAS RNE A 286 5.330 -1.529 15.338 1.00 0.03 C HETATM 1725 H24 RNE A 286 5.193 -1.027 14.369 1.00 0.07 H HETATM 1726 H25 RNE A 286 6.394 -1.768 15.481 1.00 0.07 H HETATM 1727 H26 RNE A 286 4.992 -0.864 16.146 1.00 0.07 H HETATM 1728 H11 RNE A 286 4.468 -1.461 12.988 1.00 0.06 H HETATM 1729 H10 RNE A 286 1.869 -2.954 12.364 1.00 0.06 H HETATM 1730 CAT RNE A 286 3.541 -0.045 10.993 1.00 -0.03 C HETATM 1731 H27 RNE A 286 3.277 0.571 10.121 1.00 0.04 H HETATM 1732 H28 RNE A 286 4.549 -0.464 10.855 1.00 0.04 H HETATM 1733 H29 RNE A 286 3.524 0.577 11.900 1.00 0.04 H HETATM 1734 H9 RNE A 286 0.724 -2.092 10.623 1.00 0.05 H HETATM 1735 H8 RNE A 286 1.810 0.335 8.808 1.00 0.05 H HETATM 1736 H7 RNE A 286 -0.784 -1.349 8.978 1.00 0.05 H HETATM 1737 CAU RNE A 286 0.251 1.366 6.810 1.00 -0.04 C HETATM 1738 H30 RNE A 286 -0.156 1.717 5.850 1.00 0.04 H HETATM 1739 H31 RNE A 286 1.330 1.180 6.705 1.00 0.04 H HETATM 1740 H32 RNE A 286 0.085 2.133 7.581 1.00 0.04 H HETATM 1741 H6 RNE A 286 -1.696 -1.547 6.916 1.00 0.06 H HETATM 1742 H4 RNE A 286 -2.921 -0.105 5.084 1.00 0.10 H HETATM 1743 H5 RNE A 286 -1.306 0.526 4.614 1.00 0.10 H HETATM 1744 H1 RNE A 286 -1.922 -1.432 3.301 1.00 0.20 H HETATM 1745 H2 RNE A 286 -2.086 -2.346 4.660 1.00 0.20 H HETATM 1746 H3 RNE A 286 -0.606 -1.768 4.230 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 1694 1695 1744 1745 1746 CONECT 1695 1694 1696 1742 1743 CONECT 1696 1695 1697 1741 CONECT 1697 1696 1698 1737 CONECT 1698 1697 1699 1736 CONECT 1699 1698 1700 1735 CONECT 1700 1699 1701 1734 CONECT 1701 1700 1702 1730 CONECT 1702 1701 1703 1729 CONECT 1703 1702 1704 1728 CONECT 1704 1703 1705 1709 CONECT 1705 1704 1706 1724 CONECT 1706 1705 1707 1722 1723 CONECT 1707 1706 1708 1720 1721 CONECT 1708 1707 1709 1718 1719 CONECT 1709 1704 1708 1710 1714 CONECT 1710 1709 1711 1712 1713 CONECT 1711 1710 CONECT 1712 1710 CONECT 1713 1710 CONECT 1714 1709 1715 1716 1717 CONECT 1715 1714 CONECT 1716 1714 CONECT 1717 1714 CONECT 1718 1708 CONECT 1719 1708 CONECT 1720 1707 CONECT 1721 1707 CONECT 1722 1706 CONECT 1723 1706 CONECT 1724 1705 1725 1726 1727 CONECT 1725 1724 CONECT 1726 1724 CONECT 1727 1724 CONECT 1728 1703 CONECT 1729 1702 CONECT 1730 1701 1731 1732 1733 CONECT 1731 1730 CONECT 1732 1730 CONECT 1733 1730 CONECT 1734 1700 CONECT 1735 1699 CONECT 1736 1698 CONECT 1737 1697 1738 1739 1740 CONECT 1738 1737 CONECT 1739 1737 CONECT 1740 1737 CONECT 1741 1696 CONECT 1742 1695 CONECT 1743 1695 CONECT 1744 1694 CONECT 1745 1694 CONECT 1746 1694 MASTER 0 0 0 0 0 0 0 0 1745 1 56 11 END
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Structure:
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Related entries of code: 5ha1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5hbs
RCSB PDB
PDBbind
140aa, >5HBS_1|Chain... at 100%
6e6m
RCSB PDB
PDBbind
140aa, >6E6M_1|Chains... 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
5ha1
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human cellular retinol binding protein 1, CRBP1
Ligand Name
RNE
EC.Number
E.C.-.-.-.-
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Kd=64.1nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Biol.Chem. Vol. 291: pp. 8528-8540
Ligand Properties
Formula
C
2
0
H
3
2
N
Molecular Weight
286.475
Exact Mass
286.253
No. of atoms
53
No. of bonds
53
Polar Surface Area
27.64
LOGP Value
5.48 (
Computed with XLOGP3
)
4.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 1
Canonical SMILES
[NH3+]C/C=C(/C=C/C=C(/C=C/C1=C(C)CCCC1(C)C)\C)\C
InChI String
InChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13H,7,10,14-15,21H2,1-5H3/p+1/b9-6+,12-11+,16-8+,17-13+
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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