Browse entries in the PDBbind-CN Database
HEADER 6D1H_COMPLEX COMPND 6D1H_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 229 GLY ASP GLN ARG PHE GLY ASP LEU VAL PHE ARG GLN LEU SEQRES 2 A 229 ALA PRO ASN VAL TRP GLN HIS THR SER TYR LEU ASP MET SEQRES 3 A 229 PRO GLY PHE GLY ALA VAL ALA SER ASN GLY LEU ILE VAL SEQRES 4 A 229 ARG ASP GLY GLY ARG VAL LEU VAL VAL ASP THR ALA TRP SEQRES 5 A 229 THR ASP ASP GLN THR ALA GLN ILE LEU ASN TRP ILE LYS SEQRES 6 A 229 GLN GLU ILE ASN LEU PRO VAL ALA LEU ALA VAL VAL THR SEQRES 7 A 229 HIS ALA HIS GLN ASP LYS MET GLY GLY MET ASP ALA LEU SEQRES 8 A 229 HIS ALA ALA GLY ILE ALA THR TYR ALA ASN ALA LEU SER SEQRES 9 A 229 ASN GLN LEU ALA PRO GLN GLU GLY MET VAL ALA ALA GLN SEQRES 10 A 229 HIS SER LEU THR PHE ALA ALA ASN GLY TRP VAL GLU PRO SEQRES 11 A 229 ALA THR ALA PRO ASN PHE GLY PRO LEU LYS VAL PHE TYR SEQRES 12 A 229 PRO GLY PRO GLY HIS THR SER ASP ASN ILE THR VAL GLY SEQRES 13 A 229 ILE ASP GLY THR ASP ILE ALA PHE GLY GLY CYS LEU ILE SEQRES 14 A 229 LYS ASP SER LYS ALA LYS SER LEU GLY ASN LEU GLY ASP SEQRES 15 A 229 ALA ASP THR GLU HIS TYR ALA ALA SER ALA ARG ALA PHE SEQRES 16 A 229 GLY ALA ALA PHE PRO LYS ALA SER MET ILE VAL MET SER SEQRES 17 A 229 HIS SER ALA PRO ASP SER ARG ALA ALA ILE THR HIS THR SEQRES 18 A 229 ALA ARG MET ALA ASP LYS LEU ARG HET ZN A 1 1 HET ZN A 2 1 HET KED A 559 24 ATOM 1 N GLY A 42 28.229 -2.564 13.362 1.00 38.06 N ATOM 2 CA GLY A 42 27.064 -1.706 13.263 1.00 37.08 C ATOM 3 C GLY A 42 26.006 -2.039 14.298 1.00 35.50 C ATOM 4 O GLY A 42 25.513 -1.160 15.008 1.00 37.46 O ATOM 5 HN3 GLY A 42 27.942 -3.554 13.220 1.00 0.00 H ATOM 6 HN2 GLY A 42 28.657 -2.458 14.304 1.00 0.00 H ATOM 7 HN1 GLY A 42 28.920 -2.294 12.633 1.00 0.00 H ATOM 8 N ASP A 43 25.650 -3.316 14.386 1.00 31.88 N ATOM 9 CA ASP A 43 24.665 -3.750 15.364 1.00 29.02 C ATOM 10 C ASP A 43 25.292 -3.781 16.751 1.00 25.64 C ATOM 11 O ASP A 43 26.443 -4.195 16.923 1.00 27.54 O ATOM 12 CB ASP A 43 24.122 -5.131 14.992 1.00 30.29 C ATOM 13 CG ASP A 43 23.188 -5.088 13.792 1.00 32.54 C ATOM 14 OD1 ASP A 43 22.692 -3.995 13.464 1.00 32.26 O ATOM 15 OD2 ASP A 43 22.962 -6.145 13.166 1.00 35.34 O ATOM 16 H ASP A 43 26.081 -4.014 13.747 1.00 0.00 H ATOM 17 N GLN A 44 24.538 -3.315 17.739 1.00 21.68 N ATOM 18 CA GLN A 44 24.971 -3.306 19.129 1.00 20.15 C ATOM 19 C GLN A 44 24.060 -4.236 19.914 1.00 15.61 C ATOM 20 O GLN A 44 22.849 -4.011 19.973 1.00 15.03 O ATOM 21 CB GLN A 44 24.893 -1.889 19.698 1.00 23.23 C ATOM 22 CG GLN A 44 25.388 -1.768 21.124 1.00 27.38 C ATOM 23 CD GLN A 44 25.096 -0.400 21.731 1.00 29.89 C ATOM 24 OE1 GLN A 44 24.793 0.563 21.021 1.00 30.39 O ATOM 25 NE2 GLN A 44 25.182 -0.313 23.056 1.00 31.33 N ATOM 26 HE22 GLN A 44 25.441 -1.150 23.616 1.00 0.00 H ATOM 27 HE21 GLN A 44 24.990 0.592 23.531 1.00 0.00 H ATOM 28 H GLN A 44 23.596 -2.939 17.510 1.00 0.00 H ATOM 29 N ARG A 45 24.634 -5.285 20.496 1.00 13.84 N ATOM 30 CA ARG A 45 23.868 -6.190 21.342 1.00 13.28 C ATOM 31 C ARG A 45 23.808 -5.624 22.754 1.00 14.11 C ATOM 32 O ARG A 45 24.836 -5.262 23.333 1.00 17.03 O ATOM 33 CB ARG A 45 24.509 -7.581 21.352 1.00 13.44 C ATOM 34 CG ARG A 45 24.639 -8.211 19.972 1.00 14.13 C ATOM 35 CD ARG A 45 25.100 -9.660 20.044 1.00 15.51 C ATOM 36 NE ARG A 45 26.439 -9.779 20.614 1.00 15.55 N ATOM 37 CZ ARG A 45 27.564 -9.696 19.909 1.00 15.76 C ATOM 38 NH1 ARG A 45 28.735 -9.813 20.524 1.00 15.59 N ATOM 39 NH2 ARG A 45 27.517 -9.491 18.593 1.00 16.82 N ATOM 40 HE ARG A 45 26.518 -9.939 21.639 1.00 0.00 H ATOM 41 HH12 ARG A 45 29.618 -9.749 19.978 1.00 0.00 H ATOM 42 HH11 ARG A 45 28.769 -9.969 21.552 1.00 0.00 H ATOM 43 HH22 ARG A 45 28.399 -9.427 18.045 1.00 0.00 H ATOM 44 HH21 ARG A 45 26.599 -9.395 18.114 1.00 0.00 H ATOM 45 H ARG A 45 25.648 -5.462 20.344 1.00 0.00 H ATOM 46 N PHE A 46 22.602 -5.529 23.297 1.00 12.66 N ATOM 47 CA PHE A 46 22.388 -4.938 24.612 1.00 12.57 C ATOM 48 C PHE A 46 21.372 -5.832 25.294 1.00 14.05 C ATOM 49 O PHE A 46 20.190 -5.806 24.941 1.00 13.38 O ATOM 50 CB PHE A 46 21.865 -3.508 24.476 1.00 13.41 C ATOM 51 CG PHE A 46 21.676 -2.791 25.787 1.00 14.44 C ATOM 52 CD1 PHE A 46 22.710 -2.061 26.354 1.00 16.05 C ATOM 53 CD2 PHE A 46 20.450 -2.816 26.426 1.00 14.78 C ATOM 54 CE1 PHE A 46 22.523 -1.382 27.550 1.00 16.95 C ATOM 55 CE2 PHE A 46 20.253 -2.141 27.614 1.00 15.04 C ATOM 56 CZ PHE A 46 21.288 -1.424 28.179 1.00 16.68 C ATOM 57 H PHE A 46 21.782 -5.888 22.767 1.00 0.00 H ATOM 58 N GLY A 47 21.844 -6.632 26.244 1.00 17.21 N ATOM 59 CA GLY A 47 21.031 -7.725 26.741 1.00 17.69 C ATOM 60 C GLY A 47 20.566 -8.594 25.594 1.00 16.38 C ATOM 61 O GLY A 47 21.354 -9.009 24.729 1.00 17.04 O ATOM 62 H GLY A 47 22.796 -6.474 26.631 1.00 0.00 H ATOM 63 N ASP A 48 19.265 -8.851 25.563 1.00 13.62 N ATOM 64 CA ASP A 48 18.654 -9.695 24.550 1.00 11.44 C ATOM 65 C ASP A 48 18.127 -8.903 23.357 1.00 10.16 C ATOM 66 O ASP A 48 17.422 -9.472 22.519 1.00 10.58 O ATOM 67 CB ASP A 48 17.536 -10.545 25.177 1.00 13.52 C ATOM 68 CG ASP A 48 17.331 -11.865 24.457 1.00 14.65 C ATOM 69 OD1 ASP A 48 18.343 -12.516 24.118 1.00 14.69 O ATOM 70 OD2 ASP A 48 16.161 -12.255 24.235 1.00 14.83 O ATOM 71 H ASP A 48 18.657 -8.431 26.294 1.00 0.00 H ATOM 72 N LEU A 49 18.461 -7.618 23.256 1.00 10.29 N ATOM 73 CA LEU A 49 17.989 -6.739 22.194 1.00 9.59 C ATOM 74 C LEU A 49 19.160 -6.305 21.316 1.00 8.92 C ATOM 75 O LEU A 49 20.331 -6.471 21.668 1.00 10.02 O ATOM 76 CB LEU A 49 17.263 -5.517 22.784 1.00 11.49 C ATOM 77 CG LEU A 49 15.823 -5.770 23.274 1.00 12.92 C ATOM 78 CD1 LEU A 49 15.804 -6.442 24.646 1.00 14.11 C ATOM 79 CD2 LEU A 49 15.014 -4.475 23.302 1.00 13.78 C ATOM 80 H LEU A 49 19.095 -7.219 23.977 1.00 0.00 H ATOM 81 N VAL A 50 18.833 -5.763 20.143 1.00 9.19 N ATOM 82 CA VAL A 50 19.825 -5.268 19.195 1.00 10.66 C ATOM 83 C VAL A 50 19.452 -3.850 18.783 1.00 10.16 C ATOM 84 O VAL A 50 18.281 -3.557 18.517 1.00 9.98 O ATOM 85 CB VAL A 50 19.959 -6.191 17.965 1.00 12.20 C ATOM 86 CG1 VAL A 50 20.948 -5.607 16.967 1.00 13.16 C ATOM 87 CG2 VAL A 50 20.402 -7.600 18.388 1.00 12.24 C ATOM 88 H VAL A 50 17.826 -5.690 19.893 1.00 0.00 H ATOM 89 N PHE A 51 20.453 -2.966 18.735 1.00 9.81 N ATOM 90 CA PHE A 51 20.266 -1.562 18.379 1.00 10.53 C ATOM 91 C PHE A 51 21.195 -1.224 17.227 1.00 10.69 C ATOM 92 O PHE A 51 22.363 -1.613 17.248 1.00 12.00 O ATOM 93 CB PHE A 51 20.550 -0.645 19.583 1.00 9.70 C ATOM 94 CG PHE A 51 19.605 -0.866 20.719 1.00 10.36 C ATOM 95 CD1 PHE A 51 19.829 -1.892 21.630 1.00 11.57 C ATOM 96 CD2 PHE A 51 18.463 -0.087 20.857 1.00 9.57 C ATOM 97 CE1 PHE A 51 18.945 -2.130 22.661 1.00 11.90 C ATOM 98 CE2 PHE A 51 17.568 -0.321 21.895 1.00 9.97 C ATOM 99 CZ PHE A 51 17.813 -1.337 22.800 1.00 11.51 C ATOM 100 H PHE A 51 21.413 -3.294 18.963 1.00 0.00 H ATOM 101 N ARG A 52 20.676 -0.520 16.218 1.00 11.57 N ATOM 102 CA ARG A 52 21.448 -0.166 15.028 1.00 11.71 C ATOM 103 C ARG A 52 21.209 1.299 14.689 1.00 11.44 C ATOM 104 O ARG A 52 20.064 1.710 14.475 1.00 11.85 O ATOM 105 CB ARG A 52 21.056 -1.038 13.831 1.00 13.15 C ATOM 106 CG ARG A 52 21.855 -0.715 12.564 1.00 15.85 C ATOM 107 CD ARG A 52 21.331 -1.429 11.319 1.00 18.47 C ATOM 108 NE ARG A 52 21.636 -2.857 11.334 1.00 21.65 N ATOM 109 CZ ARG A 52 21.463 -3.678 10.299 1.00 23.03 C ATOM 110 NH1 ARG A 52 20.985 -3.216 9.149 1.00 23.48 N ATOM 111 NH2 ARG A 52 21.771 -4.966 10.414 1.00 24.03 N ATOM 112 HE ARG A 52 22.015 -3.261 12.214 1.00 0.00 H ATOM 113 HH12 ARG A 52 20.852 -3.861 8.344 1.00 0.00 H ATOM 114 HH11 ARG A 52 20.744 -2.209 9.053 1.00 0.00 H ATOM 115 HH22 ARG A 52 21.636 -5.607 9.606 1.00 0.00 H ATOM 116 HH21 ARG A 52 22.147 -5.333 11.312 1.00 0.00 H ATOM 117 H ARG A 52 19.685 -0.212 16.281 1.00 0.00 H ATOM 118 N GLN A 53 22.283 2.083 14.614 1.00 11.60 N ATOM 119 CA GLN A 53 22.135 3.479 14.224 1.00 12.59 C ATOM 120 C GLN A 53 21.861 3.582 12.727 1.00 11.92 C ATOM 121 O GLN A 53 22.579 2.992 11.909 1.00 14.32 O ATOM 122 CB GLN A 53 23.390 4.270 14.584 1.00 14.17 C ATOM 123 CG GLN A 53 23.233 5.756 14.312 1.00 16.58 C ATOM 124 CD GLN A 53 24.246 6.599 15.044 1.00 19.44 C ATOM 125 OE1 GLN A 53 25.337 6.134 15.364 1.00 21.73 O ATOM 126 NE2 GLN A 53 23.892 7.850 15.314 1.00 19.73 N ATOM 127 HE22 GLN A 53 22.957 8.200 15.023 1.00 0.00 H ATOM 128 HE21 GLN A 53 24.550 8.480 15.816 1.00 0.00 H ATOM 129 H GLN A 53 23.225 1.700 14.833 1.00 0.00 H ATOM 130 N LEU A 54 20.821 4.339 12.366 1.00 11.85 N ATOM 131 CA LEU A 54 20.439 4.534 10.973 1.00 11.65 C ATOM 132 C LEU A 54 20.769 5.917 10.440 1.00 12.89 C ATOM 133 O LEU A 54 20.941 6.077 9.230 1.00 14.62 O ATOM 134 CB LEU A 54 18.933 4.296 10.789 1.00 11.91 C ATOM 135 CG LEU A 54 18.377 2.949 11.271 1.00 12.68 C ATOM 136 CD1 LEU A 54 16.891 2.851 10.954 1.00 12.07 C ATOM 137 CD2 LEU A 54 19.137 1.778 10.654 1.00 13.65 C ATOM 138 H LEU A 54 20.262 4.807 13.108 1.00 0.00 H ATOM 139 N ALA A 55 20.847 6.909 11.318 1.00 12.77 N ATOM 140 CA ALA A 55 21.117 8.296 10.965 1.00 13.69 C ATOM 141 C ALA A 55 21.666 8.971 12.211 1.00 13.02 C ATOM 142 O ALA A 55 21.645 8.376 13.297 1.00 13.30 O ATOM 143 CB ALA A 55 19.834 8.996 10.485 1.00 14.59 C ATOM 144 H ALA A 55 20.706 6.681 12.323 1.00 0.00 H ATOM 145 N PRO A 56 22.182 10.203 12.097 1.00 13.87 N ATOM 146 CA PRO A 56 22.777 10.839 13.287 1.00 15.18 C ATOM 147 C PRO A 56 21.873 10.875 14.512 1.00 14.27 C ATOM 148 O PRO A 56 22.372 10.760 15.642 1.00 14.93 O ATOM 149 CB PRO A 56 23.147 12.237 12.779 1.00 16.40 C ATOM 150 CG PRO A 56 23.485 12.005 11.344 1.00 17.27 C ATOM 151 CD PRO A 56 22.492 10.967 10.872 1.00 15.83 C ATOM 152 N ASN A 57 20.556 11.001 14.327 1.00 11.71 N ATOM 153 CA ASN A 57 19.609 11.102 15.434 1.00 10.16 C ATOM 154 C ASN A 57 18.601 9.951 15.447 1.00 8.91 C ATOM 155 O ASN A 57 17.553 10.076 16.087 1.00 9.10 O ATOM 156 CB ASN A 57 18.857 12.441 15.383 1.00 10.69 C ATOM 157 CG ASN A 57 19.729 13.656 15.738 1.00 15.18 C ATOM 158 OD1 ASN A 57 20.934 13.664 15.524 1.00 17.62 O ATOM 159 ND2 ASN A 57 19.095 14.699 16.275 1.00 16.50 N ATOM 160 HD22 ASN A 57 18.069 14.655 16.442 1.00 0.00 H ATOM 161 HD21 ASN A 57 19.626 15.557 16.527 1.00 0.00 H ATOM 162 H ASN A 57 20.190 11.028 13.354 1.00 0.00 H ATOM 163 N VAL A 58 18.868 8.842 14.748 1.00 9.17 N ATOM 164 CA VAL A 58 17.876 7.772 14.596 1.00 8.75 C ATOM 165 C VAL A 58 18.527 6.409 14.793 1.00 7.97 C ATOM 166 O VAL A 58 19.554 6.113 14.171 1.00 8.72 O ATOM 167 CB VAL A 58 17.194 7.800 13.214 1.00 9.21 C ATOM 168 CG1 VAL A 58 16.106 6.733 13.149 1.00 10.05 C ATOM 169 CG2 VAL A 58 16.622 9.183 12.907 1.00 10.86 C ATOM 170 H VAL A 58 19.801 8.736 14.302 1.00 0.00 H ATOM 171 N TRP A 59 17.888 5.554 15.608 1.00 8.50 N ATOM 172 CA TRP A 59 18.326 4.180 15.830 1.00 8.31 C ATOM 173 C TRP A 59 17.143 3.234 15.676 1.00 8.27 C ATOM 174 O TRP A 59 16.001 3.593 15.970 1.00 8.93 O ATOM 175 CB TRP A 59 18.884 3.995 17.242 1.00 9.16 C ATOM 176 CG TRP A 59 20.088 4.839 17.545 1.00 9.96 C ATOM 177 CD1 TRP A 59 21.396 4.432 17.543 1.00 10.89 C ATOM 178 CD2 TRP A 59 20.102 6.226 17.911 1.00 10.92 C ATOM 179 NE1 TRP A 59 22.220 5.482 17.870 1.00 12.27 N ATOM 180 CE2 TRP A 59 21.451 6.595 18.104 1.00 12.62 C ATOM 181 CE3 TRP A 59 19.104 7.194 18.093 1.00 12.38 C ATOM 182 CZ2 TRP A 59 21.825 7.889 18.475 1.00 12.88 C ATOM 183 CZ3 TRP A 59 19.478 8.473 18.460 1.00 13.11 C ATOM 184 CH2 TRP A 59 20.828 8.810 18.646 1.00 13.90 C ATOM 185 HE1 TRP A 59 23.257 5.440 17.930 1.00 0.00 H ATOM 186 H TRP A 59 17.038 5.888 16.106 1.00 0.00 H ATOM 187 N GLN A 60 17.426 2.013 15.223 1.00 7.67 N ATOM 188 CA GLN A 60 16.437 0.945 15.178 1.00 7.18 C ATOM 189 C GLN A 60 16.601 0.048 16.401 1.00 7.55 C ATOM 190 O GLN A 60 17.718 -0.388 16.709 1.00 8.81 O ATOM 191 CB GLN A 60 16.641 0.124 13.904 1.00 8.99 C ATOM 192 CG GLN A 60 15.637 -1.015 13.723 1.00 8.96 C ATOM 193 CD GLN A 60 15.921 -1.821 12.464 1.00 8.91 C ATOM 194 OE1 GLN A 60 15.212 -1.699 11.462 1.00 11.05 O ATOM 195 NE2 GLN A 60 16.977 -2.634 12.502 1.00 10.60 N ATOM 196 HE22 GLN A 60 17.547 -2.706 13.369 1.00 0.00 H ATOM 197 HE21 GLN A 60 17.231 -3.197 11.665 1.00 0.00 H ATOM 198 H GLN A 60 18.391 1.815 14.889 1.00 0.00 H ATOM 199 N HIS A 61 15.493 -0.237 17.088 1.00 7.42 N ATOM 200 CA HIS A 61 15.491 -1.214 18.175 1.00 6.86 C ATOM 201 C HIS A 61 14.902 -2.532 17.690 1.00 6.66 C ATOM 202 O HIS A 61 13.955 -2.539 16.904 1.00 7.10 O ATOM 203 CB HIS A 61 14.797 -0.697 19.456 1.00 6.88 C ATOM 204 CG HIS A 61 13.309 -0.449 19.364 1.00 6.85 C ATOM 205 ND1 HIS A 61 12.367 -1.457 19.421 1.00 7.45 N ATOM 206 CD2 HIS A 61 12.605 0.712 19.347 1.00 6.37 C ATOM 207 CE1 HIS A 61 11.153 -0.934 19.393 1.00 6.74 C ATOM 208 NE2 HIS A 61 11.268 0.384 19.355 1.00 6.39 N ATOM 209 H HIS A 61 14.607 0.249 16.843 1.00 0.00 H ATOM 210 N THR A 62 15.492 -3.651 18.136 1.00 6.80 N ATOM 211 CA THR A 62 15.061 -4.985 17.720 1.00 8.17 C ATOM 212 C THR A 62 14.943 -5.891 18.932 1.00 7.90 C ATOM 213 O THR A 62 15.877 -5.981 19.737 1.00 9.44 O ATOM 214 CB THR A 62 16.038 -5.606 16.712 1.00 7.72 C ATOM 215 OG1 THR A 62 16.189 -4.720 15.598 1.00 8.81 O ATOM 216 CG2 THR A 62 15.527 -6.964 16.210 1.00 8.95 C ATOM 217 HG1 THR A 62 15.309 -4.581 15.167 1.00 0.00 H ATOM 218 H THR A 62 16.286 -3.567 18.803 1.00 0.00 H ATOM 219 N SER A 63 13.800 -6.571 19.049 1.00 7.43 N ATOM 220 CA SER A 63 13.537 -7.524 20.120 1.00 8.00 C ATOM 221 C SER A 63 12.987 -8.813 19.513 1.00 7.80 C ATOM 222 O SER A 63 12.532 -8.829 18.367 1.00 8.33 O ATOM 223 CB SER A 63 12.565 -6.931 21.155 1.00 8.92 C ATOM 224 OG SER A 63 11.347 -6.593 20.538 1.00 8.64 O ATOM 225 HG SER A 63 11.513 -5.924 19.827 1.00 0.00 H ATOM 226 H SER A 63 13.058 -6.412 18.338 1.00 0.00 H ATOM 227 N TYR A 64 13.013 -9.902 20.295 1.00 9.55 N ATOM 228 CA TYR A 64 12.748 -11.245 19.784 1.00 9.67 C ATOM 229 C TYR A 64 11.749 -11.970 20.669 1.00 9.98 C ATOM 230 O TYR A 64 11.815 -11.875 21.898 1.00 11.05 O ATOM 231 CB TYR A 64 14.044 -12.084 19.724 1.00 10.24 C ATOM 232 CG TYR A 64 15.110 -11.398 18.919 1.00 10.14 C ATOM 233 CD1 TYR A 64 15.950 -10.454 19.506 1.00 10.45 C ATOM 234 CD2 TYR A 64 15.238 -11.637 17.558 1.00 10.98 C ATOM 235 CE1 TYR A 64 16.903 -9.792 18.768 1.00 11.14 C ATOM 236 CE2 TYR A 64 16.194 -10.983 16.810 1.00 11.15 C ATOM 237 CZ TYR A 64 17.021 -10.058 17.422 1.00 11.85 C ATOM 238 OH TYR A 64 17.977 -9.391 16.693 1.00 13.39 O ATOM 239 HH TYR A 64 18.472 -8.773 17.287 1.00 0.00 H ATOM 240 H TYR A 64 13.230 -9.786 21.305 1.00 0.00 H ATOM 241 N LEU A 65 10.839 -12.711 20.037 1.00 10.30 N ATOM 242 CA LEU A 65 9.893 -13.552 20.761 1.00 11.29 C ATOM 243 C LEU A 65 9.728 -14.877 20.037 1.00 13.41 C ATOM 244 O LEU A 65 9.560 -14.904 18.815 1.00 13.91 O ATOM 245 CB LEU A 65 8.521 -12.882 20.883 1.00 12.51 C ATOM 246 CG LEU A 65 7.549 -13.660 21.775 1.00 14.95 C ATOM 247 CD1 LEU A 65 7.998 -13.598 23.230 1.00 17.74 C ATOM 248 CD2 LEU A 65 6.133 -13.141 21.617 1.00 15.82 C ATOM 249 H LEU A 65 10.803 -12.689 18.998 1.00 0.00 H ATOM 250 N ASP A 66 9.769 -15.974 20.788 1.00 16.43 N ATOM 251 CA ASP A 66 9.444 -17.273 20.218 1.00 20.79 C ATOM 252 C ASP A 66 7.979 -17.290 19.802 1.00 23.04 C ATOM 253 O ASP A 66 7.084 -17.054 20.622 1.00 23.51 O ATOM 254 CB ASP A 66 9.715 -18.383 21.225 1.00 24.75 C ATOM 255 CG ASP A 66 9.343 -19.746 20.685 1.00 27.84 C ATOM 256 OD1 ASP A 66 9.746 -20.057 19.545 1.00 28.67 O ATOM 257 OD2 ASP A 66 8.648 -20.503 21.394 1.00 30.60 O ATOM 258 H ASP A 66 10.035 -15.903 21.791 1.00 0.00 H ATOM 259 N MET A 67 7.739 -17.530 18.521 1.00 24.90 N ATOM 260 CA MET A 67 6.395 -17.752 18.008 1.00 28.38 C ATOM 261 C MET A 67 6.380 -19.201 17.559 1.00 30.58 C ATOM 262 O MET A 67 6.934 -19.522 16.496 1.00 31.53 O ATOM 263 CB MET A 67 6.110 -16.819 16.827 1.00 29.98 C ATOM 264 CG MET A 67 6.045 -15.339 17.192 1.00 31.35 C ATOM 265 SD MET A 67 4.725 -14.947 18.359 1.00 32.66 S ATOM 266 CE MET A 67 3.284 -14.994 17.298 1.00 33.78 C ATOM 267 H MET A 67 8.540 -17.561 17.858 1.00 0.00 H ATOM 268 N PRO A 68 5.821 -20.116 18.353 1.00 31.27 N ATOM 269 CA PRO A 68 5.833 -21.535 17.981 1.00 32.15 C ATOM 270 C PRO A 68 5.327 -21.739 16.562 1.00 32.22 C ATOM 271 O PRO A 68 4.262 -21.244 16.182 1.00 31.91 O ATOM 272 CB PRO A 68 4.901 -22.172 19.015 1.00 32.43 C ATOM 273 CG PRO A 68 5.052 -21.301 20.219 1.00 31.56 C ATOM 274 CD PRO A 68 5.232 -19.896 19.685 1.00 31.31 C ATOM 275 N GLY A 69 6.122 -22.447 15.764 1.00 31.70 N ATOM 276 CA GLY A 69 5.872 -22.580 14.348 1.00 32.21 C ATOM 277 C GLY A 69 6.584 -21.565 13.482 1.00 31.30 C ATOM 278 O GLY A 69 6.548 -21.693 12.251 1.00 32.39 O ATOM 279 H GLY A 69 6.952 -22.921 16.174 1.00 0.00 H ATOM 280 N PHE A 70 7.235 -20.563 14.081 1.00 28.53 N ATOM 281 CA PHE A 70 7.936 -19.542 13.316 1.00 26.87 C ATOM 282 C PHE A 70 9.317 -19.201 13.855 1.00 24.65 C ATOM 283 O PHE A 70 9.964 -18.306 13.302 1.00 26.94 O ATOM 284 CB PHE A 70 7.098 -18.257 13.231 1.00 27.63 C ATOM 285 CG PHE A 70 5.795 -18.439 12.517 1.00 28.89 C ATOM 286 CD1 PHE A 70 5.744 -18.445 11.135 1.00 30.64 C ATOM 287 CD2 PHE A 70 4.623 -18.623 13.228 1.00 28.74 C ATOM 288 CE1 PHE A 70 4.543 -18.622 10.470 1.00 30.81 C ATOM 289 CE2 PHE A 70 3.418 -18.801 12.571 1.00 29.45 C ATOM 290 CZ PHE A 70 3.378 -18.800 11.190 1.00 30.45 C ATOM 291 H PHE A 70 7.241 -20.512 15.120 1.00 0.00 H ATOM 292 N GLY A 71 9.786 -19.868 14.904 1.00 20.25 N ATOM 293 CA GLY A 71 11.079 -19.537 15.468 1.00 16.81 C ATOM 294 C GLY A 71 11.018 -18.280 16.318 1.00 13.34 C ATOM 295 O GLY A 71 9.950 -17.819 16.737 1.00 13.27 O ATOM 296 H GLY A 71 9.221 -20.634 15.324 1.00 0.00 H ATOM 297 N ALA A 72 12.196 -17.715 16.568 1.00 11.97 N ATOM 298 CA ALA A 72 12.324 -16.492 17.357 1.00 12.03 C ATOM 299 C ALA A 72 12.236 -15.298 16.413 1.00 12.52 C ATOM 300 O ALA A 72 13.177 -15.026 15.664 1.00 16.01 O ATOM 301 CB ALA A 72 13.655 -16.502 18.107 1.00 13.35 C ATOM 302 H ALA A 72 13.056 -18.159 16.188 1.00 0.00 H ATOM 303 N VAL A 73 11.116 -14.582 16.457 1.00 10.52 N ATOM 304 CA VAL A 73 10.802 -13.558 15.460 1.00 9.45 C ATOM 305 C VAL A 73 11.327 -12.201 15.918 1.00 8.75 C ATOM 306 O VAL A 73 10.987 -11.723 17.009 1.00 9.02 O ATOM 307 CB VAL A 73 9.293 -13.511 15.180 1.00 11.24 C ATOM 308 CG1 VAL A 73 8.962 -12.403 14.178 1.00 12.09 C ATOM 309 CG2 VAL A 73 8.820 -14.884 14.668 1.00 13.11 C ATOM 310 H VAL A 73 10.439 -14.756 17.227 1.00 0.00 H ATOM 311 N ALA A 74 12.140 -11.569 15.073 1.00 8.65 N ATOM 312 CA ALA A 74 12.595 -10.204 15.314 1.00 8.41 C ATOM 313 C ALA A 74 11.488 -9.207 15.010 1.00 8.60 C ATOM 314 O ALA A 74 10.762 -9.351 14.023 1.00 10.21 O ATOM 315 CB ALA A 74 13.764 -9.881 14.390 1.00 10.11 C ATOM 316 H ALA A 74 12.460 -12.063 14.216 1.00 0.00 H ATOM 317 N SER A 75 11.380 -8.178 15.849 1.00 7.88 N ATOM 318 CA SER A 75 10.503 -7.042 15.583 1.00 7.40 C ATOM 319 C SER A 75 11.277 -5.752 15.796 1.00 7.27 C ATOM 320 O SER A 75 11.984 -5.613 16.800 1.00 7.23 O ATOM 321 CB SER A 75 9.292 -7.048 16.506 1.00 8.13 C ATOM 322 OG SER A 75 8.460 -5.937 16.187 1.00 9.40 O ATOM 323 HG SER A 75 8.970 -5.098 16.311 1.00 0.00 H ATOM 324 H SER A 75 11.941 -8.184 16.725 1.00 0.00 H ATOM 325 N ASN A 76 11.133 -4.813 14.860 1.00 7.15 N ATOM 326 CA ASN A 76 11.883 -3.559 14.860 1.00 6.95 C ATOM 327 C ASN A 76 10.982 -2.366 15.158 1.00 7.25 C ATOM 328 O ASN A 76 9.845 -2.291 14.668 1.00 8.02 O ATOM 329 CB ASN A 76 12.505 -3.282 13.485 1.00 7.39 C ATOM 330 CG ASN A 76 13.429 -4.382 13.018 1.00 9.23 C ATOM 331 OD1 ASN A 76 14.182 -4.973 13.806 1.00 9.96 O ATOM 332 ND2 ASN A 76 13.393 -4.655 11.718 1.00 9.58 N ATOM 333 HD22 ASN A 76 12.745 -4.133 11.095 1.00 0.00 H ATOM 334 HD21 ASN A 76 14.013 -5.391 11.324 1.00 0.00 H ATOM 335 H ASN A 76 10.453 -4.982 14.092 1.00 0.00 H ATOM 336 N GLY A 77 11.534 -1.406 15.906 1.00 6.77 N ATOM 337 CA GLY A 77 10.960 -0.076 16.054 1.00 6.70 C ATOM 338 C GLY A 77 12.042 0.981 15.934 1.00 6.29 C ATOM 339 O GLY A 77 13.167 0.668 15.523 1.00 6.83 O ATOM 340 H GLY A 77 12.419 -1.620 16.408 1.00 0.00 H ATOM 341 N LEU A 78 11.735 2.230 16.285 1.00 6.54 N ATOM 342 CA LEU A 78 12.679 3.329 16.112 1.00 6.77 C ATOM 343 C LEU A 78 12.837 4.134 17.395 1.00 6.46 C ATOM 344 O LEU A 78 11.946 4.194 18.250 1.00 6.66 O ATOM 345 CB LEU A 78 12.254 4.281 14.990 1.00 8.64 C ATOM 346 CG LEU A 78 12.326 3.693 13.581 1.00 10.21 C ATOM 347 CD1 LEU A 78 11.646 4.646 12.607 1.00 13.21 C ATOM 348 CD2 LEU A 78 13.777 3.426 13.173 1.00 10.62 C ATOM 349 H LEU A 78 10.799 2.426 16.693 1.00 0.00 H ATOM 350 N ILE A 79 13.993 4.783 17.495 1.00 6.45 N ATOM 351 CA ILE A 79 14.316 5.734 18.551 1.00 7.21 C ATOM 352 C ILE A 79 14.864 6.980 17.865 1.00 7.38 C ATOM 353 O ILE A 79 15.797 6.881 17.060 1.00 8.10 O ATOM 354 CB ILE A 79 15.378 5.152 19.509 1.00 6.68 C ATOM 355 CG1 ILE A 79 14.919 3.815 20.117 1.00 8.25 C ATOM 356 CG2 ILE A 79 15.736 6.165 20.597 1.00 8.80 C ATOM 357 CD1 ILE A 79 15.984 3.087 20.903 1.00 9.52 C ATOM 358 H ILE A 79 14.716 4.600 16.770 1.00 0.00 H ATOM 359 N VAL A 80 14.307 8.152 18.187 1.00 6.82 N ATOM 360 CA VAL A 80 14.694 9.402 17.530 1.00 7.88 C ATOM 361 C VAL A 80 15.063 10.438 18.586 1.00 7.40 C ATOM 362 O VAL A 80 14.271 10.707 19.494 1.00 8.89 O ATOM 363 CB VAL A 80 13.558 9.939 16.636 1.00 8.16 C ATOM 364 CG1 VAL A 80 13.961 11.257 15.956 1.00 9.94 C ATOM 365 CG2 VAL A 80 13.157 8.899 15.601 1.00 8.48 C ATOM 366 H VAL A 80 13.576 8.177 18.927 1.00 0.00 H ATOM 367 N ARG A 81 16.246 11.044 18.455 1.00 8.44 N ATOM 368 CA ARG A 81 16.589 12.184 19.300 1.00 8.75 C ATOM 369 C ARG A 81 16.155 13.457 18.588 1.00 9.78 C ATOM 370 O ARG A 81 16.546 13.692 17.442 1.00 10.35 O ATOM 371 CB ARG A 81 18.077 12.260 19.648 1.00 9.38 C ATOM 372 CG ARG A 81 18.355 13.441 20.587 1.00 10.37 C ATOM 373 CD ARG A 81 19.826 13.582 20.979 1.00 11.43 C ATOM 374 NE ARG A 81 20.697 13.924 19.853 1.00 11.62 N ATOM 375 CZ ARG A 81 20.745 15.119 19.261 1.00 11.96 C ATOM 376 NH1 ARG A 81 19.972 16.123 19.673 1.00 11.59 N ATOM 377 NH2 ARG A 81 21.570 15.311 18.242 1.00 13.94 N ATOM 378 HE ARG A 81 21.325 13.180 19.487 1.00 0.00 H ATOM 379 HH12 ARG A 81 20.024 17.047 19.199 1.00 0.00 H ATOM 380 HH11 ARG A 81 19.317 15.982 20.469 1.00 0.00 H ATOM 381 HH22 ARG A 81 21.613 16.240 17.776 1.00 0.00 H ATOM 382 HH21 ARG A 81 22.175 14.533 17.909 1.00 0.00 H ATOM 383 H ARG A 81 16.927 10.702 17.747 1.00 0.00 H ATOM 384 N ASP A 82 15.333 14.261 19.260 1.00 9.24 N ATOM 385 CA ASP A 82 14.872 15.555 18.754 1.00 9.01 C ATOM 386 C ASP A 82 15.354 16.606 19.751 1.00 9.30 C ATOM 387 O ASP A 82 14.683 16.868 20.747 1.00 10.56 O ATOM 388 CB ASP A 82 13.345 15.570 18.634 1.00 10.11 C ATOM 389 CG ASP A 82 12.804 16.923 18.219 1.00 11.78 C ATOM 390 OD1 ASP A 82 13.490 17.649 17.467 1.00 13.05 O ATOM 391 OD2 ASP A 82 11.691 17.263 18.660 1.00 13.74 O ATOM 392 H ASP A 82 15.000 13.953 20.196 1.00 0.00 H ATOM 393 N GLY A 83 16.520 17.189 19.498 1.00 10.22 N ATOM 394 CA GLY A 83 17.064 18.172 20.424 1.00 11.43 C ATOM 395 C GLY A 83 17.355 17.529 21.767 1.00 10.49 C ATOM 396 O GLY A 83 18.135 16.574 21.868 1.00 10.90 O ATOM 397 H GLY A 83 17.046 16.943 18.636 1.00 0.00 H ATOM 398 N GLY A 84 16.724 18.051 22.818 1.00 10.09 N ATOM 399 CA GLY A 84 16.966 17.561 24.161 1.00 10.81 C ATOM 400 C GLY A 84 16.001 16.504 24.653 1.00 10.96 C ATOM 401 O GLY A 84 15.873 16.306 25.865 1.00 11.33 O ATOM 402 H GLY A 84 16.045 18.825 22.672 1.00 0.00 H ATOM 403 N ARG A 85 15.319 15.807 23.745 1.00 9.98 N ATOM 404 CA ARG A 85 14.398 14.756 24.151 1.00 9.67 C ATOM 405 C ARG A 85 14.470 13.611 23.154 1.00 8.49 C ATOM 406 O ARG A 85 15.023 13.744 22.057 1.00 10.04 O ATOM 407 CB ARG A 85 12.959 15.269 24.266 1.00 11.07 C ATOM 408 CG ARG A 85 12.356 15.580 22.923 1.00 10.49 C ATOM 409 CD ARG A 85 11.419 16.796 22.909 1.00 13.34 C ATOM 410 NE ARG A 85 10.874 16.882 21.562 1.00 11.90 N ATOM 411 CZ ARG A 85 9.604 16.670 21.235 1.00 10.48 C ATOM 412 NH1 ARG A 85 8.686 16.446 22.171 1.00 11.28 N ATOM 413 NH2 ARG A 85 9.255 16.697 19.959 1.00 10.52 N ATOM 414 HE ARG A 85 11.531 17.129 20.795 1.00 0.00 H ATOM 415 HH12 ARG A 85 7.696 16.282 21.899 1.00 0.00 H ATOM 416 HH11 ARG A 85 8.959 16.435 23.175 1.00 0.00 H ATOM 417 HH22 ARG A 85 8.265 16.533 19.687 1.00 0.00 H ATOM 418 HH21 ARG A 85 9.971 16.882 19.228 1.00 0.00 H ATOM 419 H ARG A 85 15.446 16.017 22.734 1.00 0.00 H ATOM 420 N VAL A 86 13.873 12.479 23.542 1.00 7.76 N ATOM 421 CA VAL A 86 13.862 11.261 22.739 1.00 7.45 C ATOM 422 C VAL A 86 12.416 10.858 22.469 1.00 6.94 C ATOM 423 O VAL A 86 11.545 10.989 23.337 1.00 8.14 O ATOM 424 CB VAL A 86 14.644 10.131 23.449 1.00 8.24 C ATOM 425 CG1 VAL A 86 14.547 8.813 22.683 1.00 9.31 C ATOM 426 CG2 VAL A 86 16.110 10.540 23.630 1.00 9.27 C ATOM 427 H VAL A 86 13.392 12.466 24.464 1.00 0.00 H ATOM 428 N LEU A 87 12.169 10.373 21.254 1.00 6.78 N ATOM 429 CA LEU A 87 10.866 9.888 20.821 1.00 7.27 C ATOM 430 C LEU A 87 11.005 8.431 20.404 1.00 7.35 C ATOM 431 O LEU A 87 11.984 8.061 19.753 1.00 8.68 O ATOM 432 CB LEU A 87 10.365 10.718 19.624 1.00 8.53 C ATOM 433 CG LEU A 87 10.615 12.236 19.682 1.00 9.58 C ATOM 434 CD1 LEU A 87 10.246 12.925 18.374 1.00 10.84 C ATOM 435 CD2 LEU A 87 9.875 12.874 20.842 1.00 10.98 C ATOM 436 H LEU A 87 12.954 10.338 20.573 1.00 0.00 H ATOM 437 N VAL A 88 10.022 7.602 20.760 1.00 6.47 N ATOM 438 CA VAL A 88 10.061 6.171 20.479 1.00 6.41 C ATOM 439 C VAL A 88 8.901 5.792 19.565 1.00 6.08 C ATOM 440 O VAL A 88 7.766 6.257 19.746 1.00 7.27 O ATOM 441 CB VAL A 88 10.064 5.327 21.776 1.00 8.36 C ATOM 442 CG1 VAL A 88 9.941 3.813 21.473 1.00 8.15 C ATOM 443 CG2 VAL A 88 11.324 5.624 22.592 1.00 9.09 C ATOM 444 H VAL A 88 9.196 7.991 21.257 1.00 0.00 H ATOM 445 N VAL A 89 9.199 4.961 18.569 1.00 5.52 N ATOM 446 CA VAL A 89 8.187 4.348 17.714 1.00 5.45 C ATOM 447 C VAL A 89 8.170 2.847 17.989 1.00 5.78 C ATOM 448 O VAL A 89 9.163 2.152 17.739 1.00 6.08 O ATOM 449 CB VAL A 89 8.444 4.616 16.226 1.00 6.03 C ATOM 450 CG1 VAL A 89 7.337 3.954 15.400 1.00 7.50 C ATOM 451 CG2 VAL A 89 8.556 6.112 15.948 1.00 6.66 C ATOM 452 H VAL A 89 10.199 4.738 18.392 1.00 0.00 H ATOM 453 N ASP A 90 7.034 2.362 18.499 1.00 5.80 N ATOM 454 CA ASP A 90 6.747 0.962 18.844 1.00 5.60 C ATOM 455 C ASP A 90 7.429 0.503 20.125 1.00 5.86 C ATOM 456 O ASP A 90 8.561 0.901 20.420 1.00 6.53 O ATOM 457 CB ASP A 90 7.051 -0.007 17.692 1.00 7.19 C ATOM 458 CG ASP A 90 6.061 0.123 16.565 1.00 8.01 C ATOM 459 OD1 ASP A 90 4.951 0.630 16.815 1.00 9.10 O ATOM 460 OD2 ASP A 90 6.379 -0.269 15.430 1.00 10.22 O ATOM 461 H ASP A 90 6.271 3.048 18.670 1.00 0.00 H ATOM 462 N THR A 91 6.734 -0.323 20.908 1.00 6.24 N ATOM 463 CA THR A 91 7.404 -1.014 21.999 1.00 6.76 C ATOM 464 C THR A 91 8.157 -2.224 21.456 1.00 6.65 C ATOM 465 O THR A 91 8.141 -2.513 20.258 1.00 7.21 O ATOM 466 CB THR A 91 6.414 -1.448 23.085 1.00 7.05 C ATOM 467 OG1 THR A 91 5.598 -2.542 22.618 1.00 7.30 O ATOM 468 CG2 THR A 91 5.495 -0.316 23.476 1.00 7.70 C ATOM 469 HG1 THR A 91 6.179 -3.310 22.386 1.00 0.00 H ATOM 470 H THR A 91 5.719 -0.472 20.740 1.00 0.00 H ATOM 471 N ALA A 92 8.839 -2.932 22.355 1.00 6.87 N ATOM 472 CA ALA A 92 9.287 -4.293 22.094 1.00 7.21 C ATOM 473 C ALA A 92 8.131 -5.261 22.355 1.00 7.41 C ATOM 474 O ALA A 92 7.024 -4.855 22.718 1.00 7.75 O ATOM 475 CB ALA A 92 10.485 -4.618 22.980 1.00 8.26 C ATOM 476 H ALA A 92 9.059 -2.498 23.274 1.00 0.00 H ATOM 477 N TRP A 93 8.386 -6.567 22.184 1.00 8.15 N ATOM 478 CA TRP A 93 7.324 -7.551 22.381 1.00 8.70 C ATOM 479 C TRP A 93 6.793 -7.545 23.815 1.00 8.69 C ATOM 480 O TRP A 93 5.602 -7.800 24.037 1.00 9.82 O ATOM 481 CB TRP A 93 7.824 -8.963 22.069 1.00 8.72 C ATOM 482 CG TRP A 93 8.182 -9.303 20.647 1.00 8.46 C ATOM 483 CD1 TRP A 93 9.421 -9.238 20.081 1.00 8.67 C ATOM 484 CD2 TRP A 93 7.319 -9.878 19.653 1.00 8.69 C ATOM 485 NE1 TRP A 93 9.378 -9.698 18.787 1.00 8.78 N ATOM 486 CE2 TRP A 93 8.100 -10.098 18.497 1.00 8.61 C ATOM 487 CE3 TRP A 93 5.960 -10.215 19.623 1.00 9.88 C ATOM 488 CZ2 TRP A 93 7.568 -10.637 17.318 1.00 10.40 C ATOM 489 CZ3 TRP A 93 5.432 -10.764 18.451 1.00 10.23 C ATOM 490 CH2 TRP A 93 6.236 -10.963 17.316 1.00 10.96 C ATOM 491 HE1 TRP A 93 10.186 -9.736 18.133 1.00 0.00 H ATOM 492 H TRP A 93 9.340 -6.879 21.911 1.00 0.00 H ATOM 493 N THR A 94 7.662 -7.313 24.808 1.00 8.85 N ATOM 494 CA THR A 94 7.280 -7.471 26.208 1.00 9.23 C ATOM 495 C THR A 94 7.648 -6.243 27.033 1.00 8.76 C ATOM 496 O THR A 94 8.456 -5.403 26.629 1.00 9.22 O ATOM 497 CB THR A 94 7.953 -8.680 26.879 1.00 9.57 C ATOM 498 OG1 THR A 94 9.356 -8.420 27.033 1.00 10.53 O ATOM 499 CG2 THR A 94 7.735 -9.951 26.062 1.00 10.12 C ATOM 500 HG1 THR A 94 9.789 -9.198 27.465 1.00 0.00 H ATOM 501 H THR A 94 8.631 -7.014 24.576 1.00 0.00 H ATOM 502 N ASP A 95 7.046 -6.169 28.225 1.00 9.42 N ATOM 503 CA ASP A 95 7.379 -5.103 29.165 1.00 10.11 C ATOM 504 C ASP A 95 8.862 -5.131 29.527 1.00 9.18 C ATOM 505 O ASP A 95 9.525 -4.088 29.536 1.00 9.59 O ATOM 506 CB ASP A 95 6.538 -5.239 30.438 1.00 11.27 C ATOM 507 CG ASP A 95 5.075 -4.873 30.235 1.00 12.75 C ATOM 508 OD1 ASP A 95 4.769 -4.026 29.371 1.00 12.07 O ATOM 509 OD2 ASP A 95 4.228 -5.431 30.979 1.00 15.62 O ATOM 510 H ASP A 95 6.332 -6.879 28.485 1.00 0.00 H ATOM 511 N ASP A 96 9.397 -6.318 29.857 1.00 10.16 N ATOM 512 CA ASP A 96 10.804 -6.400 30.249 1.00 11.86 C ATOM 513 C ASP A 96 11.715 -5.912 29.128 1.00 9.99 C ATOM 514 O ASP A 96 12.677 -5.170 29.372 1.00 10.93 O ATOM 515 CB ASP A 96 11.169 -7.838 30.640 1.00 15.15 C ATOM 516 CG ASP A 96 10.611 -8.252 31.999 1.00 20.32 C ATOM 517 OD1 ASP A 96 10.087 -7.396 32.740 1.00 22.71 O ATOM 518 OD2 ASP A 96 10.706 -9.455 32.324 1.00 22.59 O ATOM 519 H ASP A 96 8.812 -7.177 29.834 1.00 0.00 H ATOM 520 N GLN A 97 11.431 -6.320 27.891 1.00 9.18 N ATOM 521 CA GLN A 97 12.249 -5.863 26.770 1.00 9.14 C ATOM 522 C GLN A 97 12.123 -4.361 26.581 1.00 8.56 C ATOM 523 O GLN A 97 13.100 -3.682 26.244 1.00 8.93 O ATOM 524 CB GLN A 97 11.838 -6.587 25.491 1.00 9.28 C ATOM 525 CG GLN A 97 12.115 -8.080 25.501 1.00 9.79 C ATOM 526 CD GLN A 97 11.389 -8.787 24.375 1.00 9.97 C ATOM 527 OE1 GLN A 97 10.575 -8.178 23.684 1.00 10.39 O ATOM 528 NE2 GLN A 97 11.673 -10.081 24.186 1.00 11.03 N ATOM 529 HE22 GLN A 97 12.369 -10.555 24.796 1.00 0.00 H ATOM 530 HE21 GLN A 97 11.197 -10.613 23.429 1.00 0.00 H ATOM 531 H GLN A 97 10.630 -6.962 27.724 1.00 0.00 H ATOM 532 N THR A 98 10.917 -3.825 26.768 1.00 8.58 N ATOM 533 CA THR A 98 10.716 -2.392 26.580 1.00 7.74 C ATOM 534 C THR A 98 11.437 -1.585 27.657 1.00 7.57 C ATOM 535 O THR A 98 12.019 -0.528 27.368 1.00 8.56 O ATOM 536 CB THR A 98 9.218 -2.096 26.521 1.00 7.55 C ATOM 537 OG1 THR A 98 8.651 -2.835 25.426 1.00 7.17 O ATOM 538 CG2 THR A 98 8.954 -0.613 26.315 1.00 8.85 C ATOM 539 HG1 THR A 98 8.800 -3.803 25.571 1.00 0.00 H ATOM 540 H THR A 98 10.118 -4.429 27.048 1.00 0.00 H ATOM 541 N ALA A 99 11.427 -2.071 28.903 1.00 9.12 N ATOM 542 CA ALA A 99 12.257 -1.452 29.932 1.00 9.54 C ATOM 543 C ALA A 99 13.728 -1.458 29.523 1.00 9.55 C ATOM 544 O ALA A 99 14.467 -0.511 29.814 1.00 10.81 O ATOM 545 CB ALA A 99 12.051 -2.162 31.274 1.00 11.54 C ATOM 546 H ALA A 99 10.829 -2.889 29.138 1.00 0.00 H ATOM 547 N GLN A 100 14.168 -2.516 28.830 1.00 9.83 N ATOM 548 CA GLN A 100 15.551 -2.560 28.361 1.00 10.30 C ATOM 549 C GLN A 100 15.818 -1.514 27.277 1.00 9.77 C ATOM 550 O GLN A 100 16.917 -0.953 27.219 1.00 10.59 O ATOM 551 CB GLN A 100 15.907 -3.967 27.877 1.00 12.89 C ATOM 552 CG GLN A 100 16.253 -4.930 28.989 1.00 18.00 C ATOM 553 CD GLN A 100 17.642 -4.679 29.545 1.00 22.28 C ATOM 554 OE1 GLN A 100 17.909 -3.631 30.135 1.00 23.32 O ATOM 555 NE2 GLN A 100 18.534 -5.644 29.362 1.00 25.46 N ATOM 556 HE22 GLN A 100 18.264 -6.513 28.858 1.00 0.00 H ATOM 557 HE21 GLN A 100 19.503 -5.532 29.723 1.00 0.00 H ATOM 558 H GLN A 100 13.525 -3.307 28.625 1.00 0.00 H ATOM 559 N ILE A 101 14.841 -1.240 26.404 1.00 8.94 N ATOM 560 CA ILE A 101 14.990 -0.125 25.464 1.00 8.45 C ATOM 561 C ILE A 101 15.238 1.173 26.223 1.00 8.23 C ATOM 562 O ILE A 101 16.117 1.966 25.866 1.00 8.96 O ATOM 563 CB ILE A 101 13.762 0.005 24.546 1.00 8.47 C ATOM 564 CG1 ILE A 101 13.628 -1.198 23.608 1.00 9.27 C ATOM 565 CG2 ILE A 101 13.863 1.299 23.744 1.00 9.49 C ATOM 566 CD1 ILE A 101 12.300 -1.240 22.856 1.00 9.82 C ATOM 567 H ILE A 101 13.976 -1.818 26.393 1.00 0.00 H ATOM 568 N LEU A 102 14.450 1.420 27.276 1.00 8.74 N ATOM 569 CA LEU A 102 14.617 2.658 28.035 1.00 9.12 C ATOM 570 C LEU A 102 15.974 2.698 28.726 1.00 8.68 C ATOM 571 O LEU A 102 16.590 3.769 28.839 1.00 9.83 O ATOM 572 CB LEU A 102 13.484 2.820 29.050 1.00 9.23 C ATOM 573 CG LEU A 102 12.080 2.814 28.427 1.00 9.14 C ATOM 574 CD1 LEU A 102 11.042 3.029 29.509 1.00 10.52 C ATOM 575 CD2 LEU A 102 11.952 3.884 27.340 1.00 9.67 C ATOM 576 H LEU A 102 13.720 0.733 27.554 1.00 0.00 H ATOM 577 N ASN A 103 16.460 1.543 29.196 1.00 9.71 N ATOM 578 CA ASN A 103 17.796 1.489 29.782 1.00 11.32 C ATOM 579 C ASN A 103 18.860 1.831 28.749 1.00 10.14 C ATOM 580 O ASN A 103 19.798 2.586 29.037 1.00 10.88 O ATOM 581 CB ASN A 103 18.060 0.098 30.364 1.00 12.91 C ATOM 582 CG ASN A 103 17.212 -0.199 31.582 1.00 14.45 C ATOM 583 OD1 ASN A 103 16.699 0.712 32.237 1.00 15.62 O ATOM 584 ND2 ASN A 103 17.060 -1.482 31.896 1.00 15.04 N ATOM 585 HD22 ASN A 103 17.511 -2.217 31.315 1.00 0.00 H ATOM 586 HD21 ASN A 103 16.490 -1.751 32.723 1.00 0.00 H ATOM 587 H ASN A 103 15.883 0.679 29.143 1.00 0.00 H ATOM 588 N TRP A 104 18.738 1.278 27.539 1.00 9.40 N ATOM 589 CA TRP A 104 19.695 1.604 26.488 1.00 9.45 C ATOM 590 C TRP A 104 19.675 3.099 26.183 1.00 9.63 C ATOM 591 O TRP A 104 20.731 3.717 26.024 1.00 9.94 O ATOM 592 CB TRP A 104 19.412 0.773 25.232 1.00 9.73 C ATOM 593 CG TRP A 104 20.354 1.051 24.080 1.00 10.54 C ATOM 594 CD1 TRP A 104 21.501 0.372 23.772 1.00 11.93 C ATOM 595 CD2 TRP A 104 20.235 2.097 23.101 1.00 10.47 C ATOM 596 NE1 TRP A 104 22.090 0.922 22.653 1.00 12.85 N ATOM 597 CE2 TRP A 104 21.336 1.982 22.225 1.00 11.93 C ATOM 598 CE3 TRP A 104 19.302 3.112 22.878 1.00 10.63 C ATOM 599 CZ2 TRP A 104 21.529 2.851 21.145 1.00 11.41 C ATOM 600 CZ3 TRP A 104 19.491 3.967 21.808 1.00 12.12 C ATOM 601 CH2 TRP A 104 20.596 3.836 20.960 1.00 12.51 C ATOM 602 HE1 TRP A 104 22.967 0.586 22.206 1.00 0.00 H ATOM 603 H TRP A 104 17.960 0.615 27.347 1.00 0.00 H ATOM 604 N ILE A 105 18.482 3.699 26.121 1.00 8.55 N ATOM 605 CA ILE A 105 18.372 5.136 25.870 1.00 8.67 C ATOM 606 C ILE A 105 19.074 5.925 26.968 1.00 9.43 C ATOM 607 O ILE A 105 19.792 6.901 26.697 1.00 9.99 O ATOM 608 CB ILE A 105 16.894 5.549 25.727 1.00 8.12 C ATOM 609 CG1 ILE A 105 16.292 4.955 24.446 1.00 7.80 C ATOM 610 CG2 ILE A 105 16.733 7.090 25.757 1.00 8.88 C ATOM 611 CD1 ILE A 105 14.780 5.090 24.375 1.00 7.82 C ATOM 612 H ILE A 105 17.618 3.135 26.253 1.00 0.00 H ATOM 613 N LYS A 106 18.867 5.523 28.226 1.00 9.27 N ATOM 614 CA LYS A 106 19.505 6.208 29.345 1.00 10.54 C ATOM 615 C LYS A 106 21.020 6.183 29.205 1.00 11.44 C ATOM 616 O LYS A 106 21.691 7.204 29.407 1.00 12.28 O ATOM 617 CB LYS A 106 19.083 5.547 30.662 1.00 11.80 C ATOM 618 CG LYS A 106 19.900 5.970 31.876 1.00 14.21 C ATOM 619 CD LYS A 106 19.694 7.430 32.191 1.00 16.68 C ATOM 620 CE LYS A 106 20.414 7.839 33.471 1.00 18.79 C ATOM 621 NZ LYS A 106 20.321 9.307 33.716 1.00 20.38 N ATOM 622 HZ1 LYS A 106 20.754 9.818 32.920 1.00 0.00 H ATOM 623 HZ2 LYS A 106 19.321 9.580 33.802 1.00 0.00 H ATOM 624 HZ3 LYS A 106 20.823 9.543 34.596 1.00 0.00 H ATOM 625 H LYS A 106 18.243 4.711 28.409 1.00 0.00 H ATOM 626 N GLN A 107 21.572 5.028 28.830 1.00 12.41 N ATOM 627 CA GLN A 107 23.021 4.872 28.787 1.00 14.14 C ATOM 628 C GLN A 107 23.630 5.516 27.547 1.00 14.14 C ATOM 629 O GLN A 107 24.713 6.107 27.622 1.00 15.67 O ATOM 630 CB GLN A 107 23.376 3.389 28.842 1.00 16.96 C ATOM 631 CG GLN A 107 23.288 2.797 30.235 1.00 19.05 C ATOM 632 CD GLN A 107 23.612 1.320 30.260 1.00 20.65 C ATOM 633 OE1 GLN A 107 24.588 0.882 29.655 1.00 22.81 O ATOM 634 NE2 GLN A 107 22.801 0.546 30.968 1.00 20.71 N ATOM 635 HE22 GLN A 107 21.987 0.962 31.464 1.00 0.00 H ATOM 636 HE21 GLN A 107 22.979 -0.477 31.028 1.00 0.00 H ATOM 637 H GLN A 107 20.961 4.229 28.565 1.00 0.00 H ATOM 638 N GLU A 108 22.963 5.406 26.400 1.00 13.51 N ATOM 639 CA GLU A 108 23.550 5.859 25.143 1.00 13.38 C ATOM 640 C GLU A 108 23.168 7.282 24.761 1.00 13.11 C ATOM 641 O GLU A 108 23.919 7.935 24.027 1.00 15.69 O ATOM 642 CB GLU A 108 23.175 4.894 24.013 1.00 16.31 C ATOM 643 CG GLU A 108 23.674 3.465 24.233 1.00 21.61 C ATOM 644 CD GLU A 108 25.186 3.331 24.158 1.00 26.64 C ATOM 645 OE1 GLU A 108 25.841 4.203 23.550 1.00 29.23 O ATOM 646 OE2 GLU A 108 25.717 2.337 24.697 1.00 28.25 O ATOM 647 H GLU A 108 22.009 4.991 26.400 1.00 0.00 H ATOM 648 N ILE A 109 22.016 7.777 25.220 1.00 10.66 N ATOM 649 CA ILE A 109 21.553 9.119 24.890 1.00 9.79 C ATOM 650 C ILE A 109 21.437 10.004 26.124 1.00 11.01 C ATOM 651 O ILE A 109 21.859 11.170 26.105 1.00 11.41 O ATOM 652 CB ILE A 109 20.226 9.098 24.087 1.00 9.63 C ATOM 653 CG1 ILE A 109 20.380 8.235 22.822 1.00 10.63 C ATOM 654 CG2 ILE A 109 19.787 10.531 23.752 1.00 11.29 C ATOM 655 CD1 ILE A 109 19.077 7.943 22.091 1.00 10.58 C ATOM 656 H ILE A 109 21.426 7.182 25.837 1.00 0.00 H ATOM 657 N ASN A 110 20.859 9.480 27.205 1.00 10.85 N ATOM 658 CA ASN A 110 20.769 10.199 28.476 1.00 10.82 C ATOM 659 C ASN A 110 19.966 11.497 28.359 1.00 10.96 C ATOM 660 O ASN A 110 20.374 12.555 28.848 1.00 12.90 O ATOM 661 CB ASN A 110 22.155 10.444 29.083 1.00 12.50 C ATOM 662 CG ASN A 110 22.079 10.854 30.523 1.00 14.67 C ATOM 663 OD1 ASN A 110 21.148 10.469 31.228 1.00 15.48 O ATOM 664 ND2 ASN A 110 23.044 11.660 30.972 1.00 16.67 N ATOM 665 HD22 ASN A 110 23.811 11.958 30.336 1.00 0.00 H ATOM 666 HD21 ASN A 110 23.029 11.990 31.958 1.00 0.00 H ATOM 667 H ASN A 110 20.456 8.523 27.142 1.00 0.00 H ATOM 668 N LEU A 111 18.813 11.410 27.706 1.00 10.37 N ATOM 669 CA LEU A 111 17.836 12.483 27.643 1.00 10.75 C ATOM 670 C LEU A 111 16.466 11.884 27.905 1.00 11.53 C ATOM 671 O LEU A 111 16.246 10.694 27.652 1.00 11.44 O ATOM 672 CB LEU A 111 17.849 13.149 26.259 1.00 11.52 C ATOM 673 CG LEU A 111 19.107 13.961 25.918 1.00 11.03 C ATOM 674 CD1 LEU A 111 19.116 14.332 24.445 1.00 11.82 C ATOM 675 CD2 LEU A 111 19.240 15.211 26.789 1.00 12.63 C ATOM 676 H LEU A 111 18.597 10.521 27.211 1.00 0.00 H ATOM 677 N PRO A 112 15.513 12.678 28.396 1.00 12.15 N ATOM 678 CA PRO A 112 14.187 12.128 28.702 1.00 11.67 C ATOM 679 C PRO A 112 13.458 11.683 27.446 1.00 9.46 C ATOM 680 O PRO A 112 13.593 12.277 26.376 1.00 10.52 O ATOM 681 CB PRO A 112 13.456 13.306 29.360 1.00 13.73 C ATOM 682 CG PRO A 112 14.170 14.530 28.863 1.00 16.31 C ATOM 683 CD PRO A 112 15.611 14.117 28.721 1.00 13.44 C ATOM 684 N VAL A 113 12.674 10.620 27.590 1.00 8.88 N ATOM 685 CA VAL A 113 11.810 10.148 26.515 1.00 8.62 C ATOM 686 C VAL A 113 10.486 10.898 26.627 1.00 9.63 C ATOM 687 O VAL A 113 9.707 10.668 27.558 1.00 11.08 O ATOM 688 CB VAL A 113 11.604 8.630 26.586 1.00 8.90 C ATOM 689 CG1 VAL A 113 10.651 8.172 25.483 1.00 9.49 C ATOM 690 CG2 VAL A 113 12.952 7.899 26.493 1.00 10.80 C ATOM 691 H VAL A 113 12.677 10.110 28.496 1.00 0.00 H ATOM 692 N ALA A 114 10.228 11.794 25.670 1.00 8.82 N ATOM 693 CA ALA A 114 9.057 12.660 25.744 1.00 8.74 C ATOM 694 C ALA A 114 7.764 11.940 25.395 1.00 9.04 C ATOM 695 O ALA A 114 6.715 12.270 25.957 1.00 11.32 O ATOM 696 CB ALA A 114 9.238 13.867 24.820 1.00 9.37 C ATOM 697 H ALA A 114 10.873 11.875 24.858 1.00 0.00 H ATOM 698 N LEU A 115 7.807 10.988 24.465 1.00 7.55 N ATOM 699 CA LEU A 115 6.597 10.301 24.039 1.00 7.41 C ATOM 700 C LEU A 115 6.979 9.043 23.273 1.00 6.61 C ATOM 701 O LEU A 115 8.108 8.893 22.785 1.00 7.54 O ATOM 702 CB LEU A 115 5.714 11.204 23.164 1.00 9.58 C ATOM 703 CG LEU A 115 6.317 11.687 21.839 1.00 11.75 C ATOM 704 CD1 LEU A 115 5.964 10.759 20.665 1.00 12.65 C ATOM 705 CD2 LEU A 115 5.863 13.110 21.548 1.00 14.75 C ATOM 706 H LEU A 115 8.719 10.732 24.037 1.00 0.00 H ATOM 707 N ALA A 116 5.995 8.163 23.140 1.00 6.87 N ATOM 708 CA ALA A 116 6.080 7.004 22.268 1.00 7.58 C ATOM 709 C ALA A 116 4.800 6.920 21.461 1.00 7.59 C ATOM 710 O ALA A 116 3.711 7.221 21.969 1.00 7.87 O ATOM 711 CB ALA A 116 6.241 5.712 23.080 1.00 8.74 C ATOM 712 H ALA A 116 5.122 8.310 23.686 1.00 0.00 H ATOM 713 N VAL A 117 4.930 6.520 20.200 1.00 6.78 N ATOM 714 CA VAL A 117 3.785 6.221 19.349 1.00 6.78 C ATOM 715 C VAL A 117 3.911 4.774 18.885 1.00 6.28 C ATOM 716 O VAL A 117 5.004 4.324 18.533 1.00 7.22 O ATOM 717 CB VAL A 117 3.653 7.214 18.166 1.00 8.09 C ATOM 718 CG1 VAL A 117 4.913 7.250 17.294 1.00 9.31 C ATOM 719 CG2 VAL A 117 2.404 6.912 17.342 1.00 9.93 C ATOM 720 H VAL A 117 5.886 6.416 19.805 1.00 0.00 H ATOM 721 N VAL A 118 2.803 4.034 18.933 1.00 6.45 N ATOM 722 CA VAL A 118 2.800 2.617 18.581 1.00 6.90 C ATOM 723 C VAL A 118 1.896 2.410 17.367 1.00 6.37 C ATOM 724 O VAL A 118 0.886 3.105 17.202 1.00 7.21 O ATOM 725 CB VAL A 118 2.392 1.730 19.779 1.00 8.40 C ATOM 726 CG1 VAL A 118 3.346 1.936 20.927 1.00 9.68 C ATOM 727 CG2 VAL A 118 0.982 2.053 20.224 1.00 9.99 C ATOM 728 H VAL A 118 1.912 4.480 19.231 1.00 0.00 H ATOM 729 N THR A 119 2.263 1.451 16.503 1.00 6.91 N ATOM 730 CA THR A 119 1.752 1.487 15.130 1.00 6.98 C ATOM 731 C THR A 119 0.628 0.503 14.808 1.00 7.09 C ATOM 732 O THR A 119 0.079 0.591 13.704 1.00 8.49 O ATOM 733 CB THR A 119 2.873 1.419 14.073 1.00 7.97 C ATOM 734 OG1 THR A 119 3.610 0.192 14.201 1.00 7.02 O ATOM 735 CG2 THR A 119 3.815 2.627 14.220 1.00 8.59 C ATOM 736 HG1 THR A 119 4.014 0.144 15.103 1.00 0.00 H ATOM 737 H THR A 119 2.904 0.690 16.805 1.00 0.00 H ATOM 738 N HIS A 120 0.276 -0.418 15.715 1.00 7.23 N ATOM 739 CA HIS A 120 -1.003 -1.143 15.676 1.00 8.28 C ATOM 740 C HIS A 120 -1.093 -2.043 16.906 1.00 8.10 C ATOM 741 O HIS A 120 -0.113 -2.228 17.631 1.00 8.34 O ATOM 742 CB HIS A 120 -1.305 -1.927 14.381 1.00 8.34 C ATOM 743 CG HIS A 120 -0.389 -3.082 14.112 1.00 7.78 C ATOM 744 ND1 HIS A 120 0.835 -2.931 13.497 1.00 8.72 N ATOM 745 CD2 HIS A 120 -0.537 -4.412 14.339 1.00 9.05 C ATOM 746 CE1 HIS A 120 1.404 -4.118 13.357 1.00 9.50 C ATOM 747 NE2 HIS A 120 0.596 -5.034 13.867 1.00 9.30 N ATOM 748 H HIS A 120 0.941 -0.631 16.486 1.00 0.00 H ATOM 749 N ALA A 121 -2.282 -2.619 17.113 1.00 7.47 N ATOM 750 CA ALA A 121 -2.596 -3.379 18.331 1.00 8.35 C ATOM 751 C ALA A 121 -2.250 -4.873 18.216 1.00 8.17 C ATOM 752 O ALA A 121 -3.089 -5.756 18.417 1.00 10.12 O ATOM 753 CB ALA A 121 -4.062 -3.173 18.710 1.00 9.53 C ATOM 754 H ALA A 121 -3.015 -2.525 16.381 1.00 0.00 H ATOM 755 N HIS A 122 -0.983 -5.156 17.901 1.00 8.23 N ATOM 756 CA HIS A 122 -0.412 -6.496 18.036 1.00 8.33 C ATOM 757 C HIS A 122 0.765 -6.434 19.003 1.00 7.63 C ATOM 758 O HIS A 122 1.336 -5.365 19.250 1.00 7.21 O ATOM 759 CB HIS A 122 0.072 -7.064 16.688 1.00 9.54 C ATOM 760 CG HIS A 122 -1.015 -7.636 15.824 1.00 10.87 C ATOM 761 ND1 HIS A 122 -0.871 -7.783 14.458 1.00 11.56 N ATOM 762 CD2 HIS A 122 -2.246 -8.120 16.124 1.00 13.12 C ATOM 763 CE1 HIS A 122 -1.965 -8.329 13.956 1.00 12.56 C ATOM 764 NE2 HIS A 122 -2.815 -8.540 14.945 1.00 13.97 N ATOM 765 H HIS A 122 -0.376 -4.390 17.544 1.00 0.00 H ATOM 766 N GLN A 123 1.124 -7.584 19.578 1.00 8.63 N ATOM 767 CA GLN A 123 2.114 -7.649 20.640 1.00 9.05 C ATOM 768 C GLN A 123 3.472 -7.087 20.309 1.00 7.49 C ATOM 769 O GLN A 123 4.118 -6.528 21.108 1.00 8.44 O ATOM 770 CB GLN A 123 2.310 -9.074 21.194 1.00 9.84 C ATOM 771 CG GLN A 123 3.114 -9.076 22.479 1.00 11.84 C ATOM 772 CD GLN A 123 3.414 -10.486 23.001 1.00 14.20 C ATOM 773 OE1 GLN A 123 2.855 -11.449 22.567 1.00 14.76 O ATOM 774 NE2 GLN A 123 4.293 -10.548 23.882 1.00 15.27 N ATOM 775 HE22 GLN A 123 4.748 -9.678 24.225 1.00 0.00 H ATOM 776 HE21 GLN A 123 4.571 -11.470 24.275 1.00 0.00 H ATOM 777 H GLN A 123 0.679 -8.466 19.254 1.00 0.00 H ATOM 778 N ASP A 124 3.926 -7.316 19.076 1.00 7.57 N ATOM 779 CA ASP A 124 5.257 -6.823 18.668 1.00 7.86 C ATOM 780 C ASP A 124 5.400 -5.255 18.714 1.00 7.03 C ATOM 781 O ASP A 124 6.442 -4.760 18.857 1.00 7.39 O ATOM 782 CB ASP A 124 5.734 -7.383 17.276 1.00 8.69 C ATOM 783 CG ASP A 124 4.725 -7.239 16.145 1.00 11.07 C ATOM 784 OD1 ASP A 124 3.569 -7.119 16.384 1.00 10.25 O ATOM 785 OD2 ASP A 124 5.166 -7.259 15.017 1.00 13.83 O ATOM 786 H ASP A 124 3.340 -7.844 18.399 1.00 0.00 H ATOM 787 N LYS A 125 4.293 -4.569 18.581 1.00 7.45 N ATOM 788 CA LYS A 125 4.244 -3.092 18.559 1.00 7.05 C ATOM 789 C LYS A 125 3.679 -2.469 19.841 1.00 7.19 C ATOM 790 O LYS A 125 4.046 -1.356 20.120 1.00 7.65 O ATOM 791 CB LYS A 125 3.286 -2.643 17.408 1.00 8.28 C ATOM 792 CG LYS A 125 3.479 -3.357 16.067 1.00 8.60 C ATOM 793 CD LYS A 125 4.710 -2.951 15.284 1.00 8.58 C ATOM 794 CE LYS A 125 5.974 -3.614 15.776 1.00 9.01 C ATOM 795 NZ LYS A 125 7.132 -2.965 15.082 1.00 9.98 N ATOM 796 HZ1 LYS A 125 7.034 -3.092 14.054 1.00 0.00 H ATOM 797 HZ2 LYS A 125 7.145 -1.950 15.308 1.00 0.00 H ATOM 798 HZ3 LYS A 125 8.018 -3.404 15.404 1.00 0.00 H ATOM 799 H LYS A 125 3.399 -5.092 18.486 1.00 0.00 H ATOM 800 N MET A 126 2.845 -3.187 20.615 1.00 7.63 N ATOM 801 CA MET A 126 2.248 -2.604 21.811 1.00 7.89 C ATOM 802 C MET A 126 2.460 -3.426 23.074 1.00 7.39 C ATOM 803 O MET A 126 2.009 -3.004 24.148 1.00 7.70 O ATOM 804 CB MET A 126 0.739 -2.364 21.614 1.00 8.47 C ATOM 805 CG MET A 126 0.418 -1.267 20.638 1.00 8.19 C ATOM 806 SD MET A 126 -1.338 -0.875 20.469 1.00 8.40 S ATOM 807 CE MET A 126 -1.737 -0.034 22.011 1.00 9.24 C ATOM 808 H MET A 126 2.623 -4.170 20.357 1.00 0.00 H ATOM 809 N GLY A 127 3.125 -4.580 22.982 1.00 7.83 N ATOM 810 CA GLY A 127 3.237 -5.474 24.124 1.00 8.10 C ATOM 811 C GLY A 127 3.931 -4.890 25.339 1.00 7.39 C ATOM 812 O GLY A 127 3.766 -5.420 26.444 1.00 9.51 O ATOM 813 H GLY A 127 3.570 -4.844 22.080 1.00 0.00 H ATOM 814 N GLY A 128 4.686 -3.804 25.171 1.00 7.46 N ATOM 815 CA GLY A 128 5.395 -3.212 26.292 1.00 8.46 C ATOM 816 C GLY A 128 4.824 -1.900 26.800 1.00 7.99 C ATOM 817 O GLY A 128 5.530 -1.135 27.463 1.00 8.74 O ATOM 818 H GLY A 128 4.768 -3.376 24.227 1.00 0.00 H ATOM 819 N MET A 129 3.531 -1.650 26.550 1.00 8.76 N ATOM 820 CA MET A 129 2.914 -0.391 26.971 1.00 8.93 C ATOM 821 C MET A 129 3.079 -0.136 28.472 1.00 9.13 C ATOM 822 O MET A 129 3.356 0.998 28.887 1.00 9.92 O ATOM 823 CB MET A 129 1.435 -0.398 26.592 1.00 9.54 C ATOM 824 CG MET A 129 0.743 0.941 26.748 1.00 9.00 C ATOM 825 SD MET A 129 1.368 2.233 25.670 1.00 8.58 S ATOM 826 CE MET A 129 0.779 1.677 24.072 1.00 8.58 C ATOM 827 H MET A 129 2.958 -2.360 26.050 1.00 0.00 H ATOM 828 N ASP A 130 2.886 -1.169 29.309 1.00 10.03 N ATOM 829 CA ASP A 130 2.978 -0.965 30.759 1.00 10.99 C ATOM 830 C ASP A 130 4.352 -0.441 31.163 1.00 11.00 C ATOM 831 O ASP A 130 4.466 0.348 32.107 1.00 11.52 O ATOM 832 CB ASP A 130 2.667 -2.262 31.530 1.00 11.95 C ATOM 833 CG ASP A 130 1.169 -2.470 31.807 1.00 13.67 C ATOM 834 OD1 ASP A 130 0.395 -1.514 31.693 1.00 14.15 O ATOM 835 OD2 ASP A 130 0.759 -3.608 32.159 1.00 15.82 O ATOM 836 H ASP A 130 2.671 -2.113 28.929 1.00 0.00 H ATOM 837 N ALA A 131 5.411 -0.878 30.473 1.00 10.58 N ATOM 838 CA ALA A 131 6.747 -0.392 30.799 1.00 10.45 C ATOM 839 C ALA A 131 6.887 1.094 30.490 1.00 9.53 C ATOM 840 O ALA A 131 7.556 1.823 31.229 1.00 10.23 O ATOM 841 CB ALA A 131 7.811 -1.196 30.053 1.00 11.09 C ATOM 842 H ALA A 131 5.282 -1.565 29.703 1.00 0.00 H ATOM 843 N LEU A 132 6.289 1.556 29.385 1.00 9.66 N ATOM 844 CA LEU A 132 6.311 2.985 29.081 1.00 9.52 C ATOM 845 C LEU A 132 5.548 3.776 30.134 1.00 10.03 C ATOM 846 O LEU A 132 6.003 4.842 30.576 1.00 10.61 O ATOM 847 CB LEU A 132 5.719 3.241 27.692 1.00 10.14 C ATOM 848 CG LEU A 132 6.428 2.576 26.508 1.00 8.86 C ATOM 849 CD1 LEU A 132 5.691 2.872 25.217 1.00 10.06 C ATOM 850 CD2 LEU A 132 7.903 2.985 26.417 1.00 10.29 C ATOM 851 H LEU A 132 5.808 0.896 28.741 1.00 0.00 H ATOM 852 N HIS A 133 4.382 3.269 30.549 1.00 9.78 N ATOM 853 CA HIS A 133 3.598 3.957 31.569 1.00 11.27 C ATOM 854 C HIS A 133 4.305 3.954 32.917 1.00 11.02 C ATOM 855 O HIS A 133 4.294 4.970 33.628 1.00 12.11 O ATOM 856 CB HIS A 133 2.209 3.332 31.653 1.00 11.55 C ATOM 857 CG HIS A 133 1.409 3.525 30.405 1.00 12.75 C ATOM 858 ND1 HIS A 133 0.251 2.825 30.142 1.00 12.85 N ATOM 859 CD2 HIS A 133 1.605 4.345 29.344 1.00 12.79 C ATOM 860 CE1 HIS A 133 -0.234 3.211 28.974 1.00 13.30 C ATOM 861 NE2 HIS A 133 0.573 4.128 28.466 1.00 13.91 N ATOM 862 H HIS A 133 4.032 2.378 30.142 1.00 0.00 H ATOM 863 N ALA A 134 4.939 2.833 33.282 1.00 11.54 N ATOM 864 CA ALA A 134 5.693 2.798 34.534 1.00 11.64 C ATOM 865 C ALA A 134 6.821 3.823 34.545 1.00 12.51 C ATOM 866 O ALA A 134 7.183 4.341 35.612 1.00 14.49 O ATOM 867 CB ALA A 134 6.228 1.387 34.797 1.00 11.90 C ATOM 868 H ALA A 134 4.895 1.989 32.676 1.00 0.00 H ATOM 869 N ALA A 135 7.372 4.141 33.377 1.00 12.83 N ATOM 870 CA ALA A 135 8.437 5.122 33.239 1.00 12.92 C ATOM 871 C ALA A 135 7.920 6.549 33.111 1.00 12.64 C ATOM 872 O ALA A 135 8.731 7.482 33.039 1.00 14.59 O ATOM 873 CB ALA A 135 9.307 4.778 32.026 1.00 12.72 C ATOM 874 H ALA A 135 7.024 3.665 32.520 1.00 0.00 H ATOM 875 N GLY A 136 6.604 6.745 33.099 1.00 11.80 N ATOM 876 CA GLY A 136 6.041 8.078 33.000 1.00 12.23 C ATOM 877 C GLY A 136 6.060 8.692 31.619 1.00 11.58 C ATOM 878 O GLY A 136 6.024 9.921 31.501 1.00 14.14 O ATOM 879 H GLY A 136 5.966 5.926 33.162 1.00 0.00 H ATOM 880 N ILE A 137 6.091 7.881 30.566 1.00 10.69 N ATOM 881 CA ILE A 137 6.179 8.378 29.195 1.00 10.05 C ATOM 882 C ILE A 137 4.777 8.507 28.608 1.00 10.49 C ATOM 883 O ILE A 137 3.961 7.587 28.723 1.00 11.97 O ATOM 884 CB ILE A 137 7.056 7.438 28.347 1.00 9.89 C ATOM 885 CG1 ILE A 137 8.501 7.446 28.858 1.00 9.73 C ATOM 886 CG2 ILE A 137 7.002 7.810 26.863 1.00 9.42 C ATOM 887 CD1 ILE A 137 9.315 6.220 28.447 1.00 10.03 C ATOM 888 H ILE A 137 6.051 6.854 30.724 1.00 0.00 H ATOM 889 N ALA A 138 4.497 9.646 27.972 1.00 9.86 N ATOM 890 CA ALA A 138 3.210 9.838 27.310 1.00 9.97 C ATOM 891 C ALA A 138 3.115 8.952 26.070 1.00 8.04 C ATOM 892 O ALA A 138 4.040 8.919 25.255 1.00 8.92 O ATOM 893 CB ALA A 138 3.059 11.298 26.897 1.00 11.06 C ATOM 894 H ALA A 138 5.205 10.407 27.948 1.00 0.00 H ATOM 895 N THR A 139 1.993 8.253 25.907 1.00 8.26 N ATOM 896 CA THR A 139 1.868 7.260 24.846 1.00 8.26 C ATOM 897 C THR A 139 0.706 7.583 23.916 1.00 8.08 C ATOM 898 O THR A 139 -0.342 8.075 24.346 1.00 8.67 O ATOM 899 CB THR A 139 1.704 5.847 25.419 1.00 9.75 C ATOM 900 OG1 THR A 139 0.588 5.827 26.314 1.00 10.30 O ATOM 901 CG2 THR A 139 2.968 5.438 26.158 1.00 10.21 C ATOM 902 HG1 THR A 139 0.480 4.916 26.685 1.00 0.00 H ATOM 903 H THR A 139 1.191 8.418 26.548 1.00 0.00 H ATOM 904 N TYR A 140 0.896 7.253 22.633 1.00 7.34 N ATOM 905 CA TYR A 140 -0.013 7.613 21.549 1.00 8.45 C ATOM 906 C TYR A 140 -0.219 6.414 20.635 1.00 8.09 C ATOM 907 O TYR A 140 0.723 5.670 20.348 1.00 8.51 O ATOM 908 CB TYR A 140 0.552 8.782 20.716 1.00 8.68 C ATOM 909 CG TYR A 140 0.694 10.049 21.526 1.00 8.64 C ATOM 910 CD1 TYR A 140 1.799 10.258 22.344 1.00 9.06 C ATOM 911 CD2 TYR A 140 -0.290 11.030 21.491 1.00 8.69 C ATOM 912 CE1 TYR A 140 1.914 11.416 23.117 1.00 9.23 C ATOM 913 CE2 TYR A 140 -0.181 12.187 22.255 1.00 9.72 C ATOM 914 CZ TYR A 140 0.920 12.363 23.068 1.00 9.68 C ATOM 915 OH TYR A 140 1.026 13.502 23.835 1.00 12.10 O ATOM 916 HH TYR A 140 0.256 13.554 24.455 1.00 0.00 H ATOM 917 H TYR A 140 1.746 6.705 22.393 1.00 0.00 H ATOM 918 N ALA A 141 -1.459 6.229 20.181 1.00 7.93 N ATOM 919 CA ALA A 141 -1.775 5.230 19.167 1.00 7.31 C ATOM 920 C ALA A 141 -2.986 5.711 18.384 1.00 8.41 C ATOM 921 O ALA A 141 -3.750 6.557 18.854 1.00 8.55 O ATOM 922 CB ALA A 141 -2.092 3.868 19.793 1.00 8.13 C ATOM 923 H ALA A 141 -2.227 6.817 20.563 1.00 0.00 H ATOM 924 N ASN A 142 -3.153 5.169 17.178 1.00 8.32 N ATOM 925 CA ASN A 142 -4.412 5.299 16.455 1.00 8.63 C ATOM 926 C ASN A 142 -5.568 5.038 17.413 1.00 9.25 C ATOM 927 O ASN A 142 -5.534 4.088 18.201 1.00 9.57 O ATOM 928 CB ASN A 142 -4.425 4.253 15.330 1.00 8.75 C ATOM 929 CG ASN A 142 -5.614 4.384 14.387 1.00 10.93 C ATOM 930 OD1 ASN A 142 -6.594 5.080 14.659 1.00 12.22 O ATOM 931 ND2 ASN A 142 -5.530 3.692 13.261 1.00 11.18 N ATOM 932 HD22 ASN A 142 -4.686 3.116 13.067 1.00 0.00 H ATOM 933 HD21 ASN A 142 -6.308 3.725 12.571 1.00 0.00 H ATOM 934 H ASN A 142 -2.369 4.642 16.744 1.00 0.00 H ATOM 935 N ALA A 143 -6.590 5.896 17.355 1.00 9.35 N ATOM 936 CA ALA A 143 -7.789 5.670 18.153 1.00 10.13 C ATOM 937 C ALA A 143 -8.288 4.234 18.025 1.00 9.30 C ATOM 938 O ALA A 143 -8.696 3.621 19.018 1.00 10.37 O ATOM 939 CB ALA A 143 -8.889 6.643 17.735 1.00 10.70 C ATOM 940 H ALA A 143 -6.530 6.730 16.737 1.00 0.00 H ATOM 941 N LEU A 144 -8.255 3.678 16.809 1.00 8.95 N ATOM 942 CA LEU A 144 -8.741 2.314 16.608 1.00 8.99 C ATOM 943 C LEU A 144 -7.847 1.296 17.308 1.00 9.12 C ATOM 944 O LEU A 144 -8.337 0.274 17.801 1.00 10.34 O ATOM 945 CB LEU A 144 -8.856 2.008 15.114 1.00 9.99 C ATOM 946 CG LEU A 144 -9.348 0.610 14.726 1.00 11.74 C ATOM 947 CD1 LEU A 144 -10.700 0.312 15.363 1.00 12.69 C ATOM 948 CD2 LEU A 144 -9.422 0.486 13.216 1.00 12.67 C ATOM 949 H LEU A 144 -7.882 4.219 16.003 1.00 0.00 H ATOM 950 N SER A 145 -6.534 1.546 17.350 1.00 8.40 N ATOM 951 CA SER A 145 -5.643 0.668 18.107 1.00 8.27 C ATOM 952 C SER A 145 -6.010 0.656 19.582 1.00 8.41 C ATOM 953 O SER A 145 -6.007 -0.407 20.218 1.00 9.36 O ATOM 954 CB SER A 145 -4.180 1.097 17.960 1.00 7.91 C ATOM 955 OG SER A 145 -3.771 1.150 16.603 1.00 9.15 O ATOM 956 HG SER A 145 -3.872 0.254 16.194 1.00 0.00 H ATOM 957 H SER A 145 -6.146 2.367 16.843 1.00 0.00 H ATOM 958 N ASN A 146 -6.311 1.831 20.153 1.00 8.87 N ATOM 959 CA ASN A 146 -6.686 1.875 21.563 1.00 8.99 C ATOM 960 C ASN A 146 -8.018 1.177 21.800 1.00 9.18 C ATOM 961 O ASN A 146 -8.194 0.502 22.822 1.00 10.67 O ATOM 962 CB ASN A 146 -6.726 3.321 22.060 1.00 8.40 C ATOM 963 CG ASN A 146 -5.346 3.924 22.165 1.00 9.02 C ATOM 964 OD1 ASN A 146 -4.373 3.207 22.379 1.00 9.85 O ATOM 965 ND2 ASN A 146 -5.249 5.237 22.021 1.00 10.34 N ATOM 966 HD22 ASN A 146 -6.102 5.805 21.841 1.00 0.00 H ATOM 967 HD21 ASN A 146 -4.320 5.700 22.088 1.00 0.00 H ATOM 968 H ASN A 146 -6.277 2.707 19.594 1.00 0.00 H ATOM 969 N GLN A 147 -8.954 1.292 20.849 1.00 9.67 N ATOM 970 CA GLN A 147 -10.228 0.583 20.972 1.00 10.60 C ATOM 971 C GLN A 147 -10.023 -0.929 20.937 1.00 11.25 C ATOM 972 O GLN A 147 -10.663 -1.666 21.697 1.00 12.14 O ATOM 973 CB GLN A 147 -11.169 1.012 19.848 1.00 11.68 C ATOM 974 CG GLN A 147 -12.533 0.346 19.912 1.00 17.34 C ATOM 975 CD GLN A 147 -13.317 0.472 18.615 1.00 22.86 C ATOM 976 OE1 GLN A 147 -13.490 1.567 18.087 1.00 25.67 O ATOM 977 NE2 GLN A 147 -13.801 -0.655 18.101 1.00 25.21 N ATOM 978 HE22 GLN A 147 -13.630 -1.561 18.582 1.00 0.00 H ATOM 979 HE21 GLN A 147 -14.350 -0.630 17.218 1.00 0.00 H ATOM 980 H GLN A 147 -8.774 1.890 20.017 1.00 0.00 H ATOM 981 N LEU A 148 -9.132 -1.405 20.059 1.00 10.04 N ATOM 982 CA LEU A 148 -8.872 -2.832 19.911 1.00 9.67 C ATOM 983 C LEU A 148 -7.981 -3.399 21.008 1.00 9.72 C ATOM 984 O LEU A 148 -7.986 -4.618 21.214 1.00 10.34 O ATOM 985 CB LEU A 148 -8.188 -3.111 18.564 1.00 10.60 C ATOM 986 CG LEU A 148 -9.041 -2.894 17.311 1.00 11.91 C ATOM 987 CD1 LEU A 148 -8.168 -2.941 16.058 1.00 12.60 C ATOM 988 CD2 LEU A 148 -10.145 -3.933 17.245 1.00 13.82 C ATOM 989 H LEU A 148 -8.607 -0.734 19.462 1.00 0.00 H ATOM 990 N ALA A 149 -7.211 -2.558 21.699 1.00 10.21 N ATOM 991 CA ALA A 149 -6.184 -3.061 22.611 1.00 10.87 C ATOM 992 C ALA A 149 -6.697 -4.106 23.592 1.00 10.37 C ATOM 993 O ALA A 149 -6.120 -5.206 23.639 1.00 9.69 O ATOM 994 CB ALA A 149 -5.460 -1.896 23.303 1.00 11.10 C ATOM 995 H ALA A 149 -7.342 -1.532 21.588 1.00 0.00 H ATOM 996 N PRO A 150 -7.755 -3.855 24.376 1.00 11.15 N ATOM 997 CA PRO A 150 -8.179 -4.875 25.354 1.00 11.80 C ATOM 998 C PRO A 150 -8.458 -6.239 24.744 1.00 10.73 C ATOM 999 O PRO A 150 -7.972 -7.251 25.267 1.00 11.94 O ATOM 1000 CB PRO A 150 -9.413 -4.239 26.010 1.00 12.71 C ATOM 1001 CG PRO A 150 -9.216 -2.757 25.815 1.00 13.02 C ATOM 1002 CD PRO A 150 -8.570 -2.627 24.473 1.00 11.97 C ATOM 1003 N GLN A 151 -9.217 -6.305 23.642 1.00 10.26 N ATOM 1004 CA GLN A 151 -9.540 -7.610 23.073 1.00 11.26 C ATOM 1005 C GLN A 151 -8.317 -8.300 22.487 1.00 11.51 C ATOM 1006 O GLN A 151 -8.301 -9.535 22.389 1.00 13.34 O ATOM 1007 CB GLN A 151 -10.656 -7.511 22.024 1.00 12.10 C ATOM 1008 CG GLN A 151 -10.219 -6.892 20.682 1.00 13.90 C ATOM 1009 CD GLN A 151 -11.394 -6.373 19.864 1.00 14.34 C ATOM 1010 OE1 GLN A 151 -12.049 -5.391 20.234 1.00 15.56 O ATOM 1011 NE2 GLN A 151 -11.662 -7.024 18.739 1.00 14.46 N ATOM 1012 HE22 GLN A 151 -11.087 -7.845 18.464 1.00 0.00 H ATOM 1013 HE21 GLN A 151 -12.447 -6.713 18.133 1.00 0.00 H ATOM 1014 H GLN A 151 -9.573 -5.435 23.196 1.00 0.00 H ATOM 1015 N GLU A 152 -7.298 -7.538 22.104 1.00 9.11 N ATOM 1016 CA GLU A 152 -6.039 -8.094 21.627 1.00 9.41 C ATOM 1017 C GLU A 152 -5.084 -8.457 22.755 1.00 10.69 C ATOM 1018 O GLU A 152 -3.973 -8.928 22.475 1.00 11.42 O ATOM 1019 CB GLU A 152 -5.361 -7.116 20.660 1.00 10.68 C ATOM 1020 CG GLU A 152 -6.214 -6.735 19.464 1.00 11.75 C ATOM 1021 CD GLU A 152 -6.553 -7.934 18.588 1.00 13.25 C ATOM 1022 OE1 GLU A 152 -5.715 -8.859 18.482 1.00 13.74 O ATOM 1023 OE2 GLU A 152 -7.647 -7.947 17.992 1.00 16.07 O ATOM 1024 H GLU A 152 -7.403 -6.504 22.146 1.00 0.00 H ATOM 1025 N GLY A 153 -5.476 -8.258 24.013 1.00 10.05 N ATOM 1026 CA GLY A 153 -4.565 -8.519 25.110 1.00 11.27 C ATOM 1027 C GLY A 153 -3.528 -7.442 25.319 1.00 11.14 C ATOM 1028 O GLY A 153 -2.527 -7.682 26.002 1.00 11.93 O ATOM 1029 H GLY A 153 -6.438 -7.915 24.208 1.00 0.00 H ATOM 1030 N MET A 154 -3.730 -6.263 24.741 1.00 10.97 N ATOM 1031 CA MET A 154 -2.813 -5.142 24.886 1.00 10.93 C ATOM 1032 C MET A 154 -3.378 -4.145 25.891 1.00 10.55 C ATOM 1033 O MET A 154 -4.582 -4.111 26.162 1.00 12.45 O ATOM 1034 CB MET A 154 -2.622 -4.417 23.547 1.00 11.40 C ATOM 1035 CG MET A 154 -2.107 -5.271 22.396 1.00 10.89 C ATOM 1036 SD MET A 154 -0.414 -5.828 22.642 1.00 10.74 S ATOM 1037 CE MET A 154 -0.659 -7.547 23.015 1.00 12.21 C ATOM 1038 H MET A 154 -4.582 -6.135 24.158 1.00 0.00 H ATOM 1039 N VAL A 155 -2.486 -3.318 26.431 1.00 10.57 N ATOM 1040 CA VAL A 155 -2.861 -2.141 27.209 1.00 10.72 C ATOM 1041 C VAL A 155 -2.942 -0.952 26.250 1.00 9.64 C ATOM 1042 O VAL A 155 -2.030 -0.731 25.435 1.00 10.95 O ATOM 1043 CB VAL A 155 -1.833 -1.888 28.327 1.00 12.33 C ATOM 1044 CG1 VAL A 155 -2.143 -0.587 29.081 1.00 13.21 C ATOM 1045 CG2 VAL A 155 -1.773 -3.084 29.273 1.00 13.80 C ATOM 1046 H VAL A 155 -1.475 -3.520 26.292 1.00 0.00 H ATOM 1047 N ALA A 156 -4.032 -0.189 26.326 1.00 9.65 N ATOM 1048 CA ALA A 156 -4.189 0.963 25.440 1.00 9.62 C ATOM 1049 C ALA A 156 -3.160 2.048 25.749 1.00 9.31 C ATOM 1050 O ALA A 156 -2.709 2.210 26.888 1.00 10.13 O ATOM 1051 CB ALA A 156 -5.591 1.560 25.577 1.00 10.75 C ATOM 1052 H ALA A 156 -4.774 -0.414 27.019 1.00 0.00 H ATOM 1053 N ALA A 157 -2.805 2.818 24.716 1.00 9.25 N ATOM 1054 CA ALA A 157 -2.051 4.047 24.935 1.00 9.63 C ATOM 1055 C ALA A 157 -2.928 5.088 25.630 1.00 10.07 C ATOM 1056 O ALA A 157 -4.158 4.993 25.651 1.00 11.51 O ATOM 1057 CB ALA A 157 -1.539 4.605 23.606 1.00 9.32 C ATOM 1058 H ALA A 157 -3.068 2.539 23.749 1.00 0.00 H ATOM 1059 N GLN A 158 -2.267 6.091 26.214 1.00 9.50 N ATOM 1060 CA GLN A 158 -2.982 7.127 26.953 1.00 9.99 C ATOM 1061 C GLN A 158 -3.722 8.082 26.028 1.00 10.02 C ATOM 1062 O GLN A 158 -4.744 8.650 26.422 1.00 12.98 O ATOM 1063 CB GLN A 158 -2.006 7.916 27.821 1.00 13.13 C ATOM 1064 CG GLN A 158 -1.365 7.099 28.919 1.00 17.22 C ATOM 1065 CD GLN A 158 -0.126 7.767 29.478 1.00 20.92 C ATOM 1066 OE1 GLN A 158 0.455 8.651 28.844 1.00 21.60 O ATOM 1067 NE2 GLN A 158 0.293 7.343 30.663 1.00 23.03 N ATOM 1068 HE22 GLN A 158 -0.229 6.595 31.162 1.00 0.00 H ATOM 1069 HE21 GLN A 158 1.144 7.759 31.093 1.00 0.00 H ATOM 1070 H GLN A 158 -1.230 6.134 26.141 1.00 0.00 H ATOM 1071 N HIS A 159 -3.224 8.287 24.812 1.00 8.63 N ATOM 1072 CA HIS A 159 -3.774 9.285 23.905 1.00 9.07 C ATOM 1073 C HIS A 159 -4.100 8.638 22.569 1.00 9.74 C ATOM 1074 O HIS A 159 -3.400 7.721 22.120 1.00 10.01 O ATOM 1075 CB HIS A 159 -2.778 10.427 23.686 1.00 10.87 C ATOM 1076 CG HIS A 159 -2.365 11.107 24.949 1.00 12.14 C ATOM 1077 ND1 HIS A 159 -3.177 12.005 25.611 1.00 13.76 N ATOM 1078 CD2 HIS A 159 -1.227 11.020 25.676 1.00 13.38 C ATOM 1079 CE1 HIS A 159 -2.554 12.441 26.691 1.00 14.43 C ATOM 1080 NE2 HIS A 159 -1.372 11.856 26.756 1.00 15.31 N ATOM 1081 H HIS A 159 -2.414 7.715 24.498 1.00 0.00 H ATOM 1082 N SER A 160 -5.154 9.139 21.928 1.00 9.87 N ATOM 1083 CA SER A 160 -5.633 8.603 20.660 1.00 9.34 C ATOM 1084 C SER A 160 -5.359 9.579 19.525 1.00 9.26 C ATOM 1085 O SER A 160 -5.740 10.757 19.595 1.00 11.12 O ATOM 1086 CB SER A 160 -7.131 8.298 20.714 1.00 10.34 C ATOM 1087 OG SER A 160 -7.391 7.215 21.585 1.00 12.34 O ATOM 1088 HG SER A 160 -7.078 7.443 22.496 1.00 0.00 H ATOM 1089 H SER A 160 -5.656 9.946 22.350 1.00 0.00 H ATOM 1090 N LEU A 161 -4.720 9.077 18.474 1.00 8.84 N ATOM 1091 CA LEU A 161 -4.555 9.815 17.233 1.00 9.56 C ATOM 1092 C LEU A 161 -5.778 9.628 16.342 1.00 9.59 C ATOM 1093 O LEU A 161 -6.324 8.526 16.236 1.00 11.69 O ATOM 1094 CB LEU A 161 -3.319 9.312 16.486 1.00 9.44 C ATOM 1095 CG LEU A 161 -1.993 9.317 17.243 1.00 9.98 C ATOM 1096 CD1 LEU A 161 -0.877 8.766 16.368 1.00 10.28 C ATOM 1097 CD2 LEU A 161 -1.674 10.727 17.667 1.00 10.44 C ATOM 1098 H LEU A 161 -4.322 8.118 18.542 1.00 0.00 H ATOM 1099 N THR A 162 -6.209 10.708 15.697 1.00 10.34 N ATOM 1100 CA THR A 162 -7.214 10.605 14.654 1.00 13.19 C ATOM 1101 C THR A 162 -6.641 11.160 13.357 1.00 12.53 C ATOM 1102 O THR A 162 -5.625 11.867 13.351 1.00 11.84 O ATOM 1103 CB THR A 162 -8.543 11.279 15.034 1.00 15.69 C ATOM 1104 OG1 THR A 162 -8.329 12.675 15.238 1.00 16.59 O ATOM 1105 CG2 THR A 162 -9.118 10.673 16.305 1.00 17.48 C ATOM 1106 HG1 THR A 162 -9.186 13.107 15.482 1.00 0.00 H ATOM 1107 H THR A 162 -5.820 11.641 15.943 1.00 0.00 H ATOM 1108 N PHE A 163 -7.283 10.806 12.252 1.00 14.56 N ATOM 1109 CA PHE A 163 -6.702 11.024 10.938 1.00 14.57 C ATOM 1110 C PHE A 163 -7.705 11.698 10.027 1.00 16.68 C ATOM 1111 O PHE A 163 -8.900 11.405 10.078 1.00 17.86 O ATOM 1112 CB PHE A 163 -6.200 9.701 10.342 1.00 14.38 C ATOM 1113 CG PHE A 163 -5.106 9.092 11.159 1.00 12.53 C ATOM 1114 CD1 PHE A 163 -5.407 8.275 12.243 1.00 13.63 C ATOM 1115 CD2 PHE A 163 -3.780 9.394 10.901 1.00 12.70 C ATOM 1116 CE1 PHE A 163 -4.406 7.760 13.033 1.00 13.68 C ATOM 1117 CE2 PHE A 163 -2.768 8.879 11.691 1.00 12.89 C ATOM 1118 CZ PHE A 163 -3.083 8.058 12.759 1.00 13.18 C ATOM 1119 H PHE A 163 -8.221 10.363 12.327 1.00 0.00 H ATOM 1120 N ALA A 164 -7.205 12.621 9.211 1.00 18.71 N ATOM 1121 CA ALA A 164 -8.019 13.250 8.189 1.00 20.89 C ATOM 1122 C ALA A 164 -8.373 12.231 7.107 1.00 22.35 C ATOM 1123 O ALA A 164 -7.834 11.117 7.055 1.00 22.86 O ATOM 1124 CB ALA A 164 -7.273 14.437 7.584 1.00 21.07 C ATOM 1125 H ALA A 164 -6.207 12.898 9.308 1.00 0.00 H ATOM 1126 N ALA A 165 -9.298 12.629 6.231 1.00 24.56 N ATOM 1127 CA ALA A 165 -9.746 11.737 5.168 1.00 25.66 C ATOM 1128 C ALA A 165 -8.595 11.292 4.275 1.00 26.15 C ATOM 1129 O ALA A 165 -8.601 10.161 3.772 1.00 27.79 O ATOM 1130 CB ALA A 165 -10.834 12.419 4.338 1.00 26.64 C ATOM 1131 H ALA A 165 -9.703 13.584 6.307 1.00 0.00 H ATOM 1132 N ASN A 166 -7.601 12.156 4.070 1.00 24.83 N ATOM 1133 CA ASN A 166 -6.455 11.822 3.233 1.00 24.35 C ATOM 1134 C ASN A 166 -5.388 10.999 3.947 1.00 22.14 C ATOM 1135 O ASN A 166 -4.379 10.651 3.325 1.00 22.16 O ATOM 1136 CB ASN A 166 -5.832 13.083 2.630 1.00 25.10 C ATOM 1137 CG ASN A 166 -5.262 14.040 3.673 1.00 25.83 C ATOM 1138 OD1 ASN A 166 -5.140 13.719 4.859 1.00 26.33 O ATOM 1139 ND2 ASN A 166 -4.901 15.234 3.219 1.00 26.71 N ATOM 1140 HD22 ASN A 166 -5.020 15.465 2.212 1.00 0.00 H ATOM 1141 HD21 ASN A 166 -4.499 15.938 3.870 1.00 0.00 H ATOM 1142 H ASN A 166 -7.644 13.093 4.519 1.00 0.00 H ATOM 1143 N GLY A 167 -5.564 10.688 5.225 1.00 19.76 N ATOM 1144 CA GLY A 167 -4.649 9.821 5.932 1.00 17.40 C ATOM 1145 C GLY A 167 -3.682 10.518 6.870 1.00 16.35 C ATOM 1146 O GLY A 167 -3.129 9.859 7.748 1.00 14.32 O ATOM 1147 H GLY A 167 -6.383 11.079 5.732 1.00 0.00 H ATOM 1148 N TRP A 168 -3.453 11.819 6.717 1.00 16.03 N ATOM 1149 CA TRP A 168 -2.507 12.497 7.597 1.00 15.74 C ATOM 1150 C TRP A 168 -3.109 12.685 8.984 1.00 13.56 C ATOM 1151 O TRP A 168 -4.304 12.962 9.128 1.00 14.48 O ATOM 1152 CB TRP A 168 -2.089 13.847 7.009 1.00 17.76 C ATOM 1153 CG TRP A 168 -1.114 13.690 5.886 1.00 18.54 C ATOM 1154 CD1 TRP A 168 -1.330 13.963 4.562 1.00 19.11 C ATOM 1155 CD2 TRP A 168 0.232 13.200 5.981 1.00 19.00 C ATOM 1156 NE1 TRP A 168 -0.201 13.674 3.833 1.00 19.87 N ATOM 1157 CE2 TRP A 168 0.771 13.206 4.679 1.00 19.61 C ATOM 1158 CE3 TRP A 168 1.033 12.757 7.042 1.00 19.93 C ATOM 1159 CZ2 TRP A 168 2.075 12.786 4.408 1.00 20.45 C ATOM 1160 CZ3 TRP A 168 2.326 12.341 6.770 1.00 20.16 C ATOM 1161 CH2 TRP A 168 2.834 12.361 5.463 1.00 19.98 C ATOM 1162 HE1 TRP A 168 -0.100 13.792 2.805 1.00 0.00 H ATOM 1163 H TRP A 168 -3.947 12.352 5.972 1.00 0.00 H ATOM 1164 N VAL A 169 -2.274 12.505 10.015 1.00 12.27 N ATOM 1165 CA VAL A 169 -2.748 12.666 11.384 1.00 11.38 C ATOM 1166 C VAL A 169 -3.294 14.075 11.578 1.00 13.29 C ATOM 1167 O VAL A 169 -2.781 15.052 11.016 1.00 14.76 O ATOM 1168 CB VAL A 169 -1.634 12.326 12.394 1.00 10.37 C ATOM 1169 CG1 VAL A 169 -0.516 13.377 12.399 1.00 11.84 C ATOM 1170 CG2 VAL A 169 -2.209 12.140 13.793 1.00 10.45 C ATOM 1171 H VAL A 169 -1.282 12.249 9.838 1.00 0.00 H ATOM 1172 N GLU A 170 -4.366 14.177 12.340 1.00 13.05 N ATOM 1173 CA GLU A 170 -4.854 15.485 12.739 1.00 14.45 C ATOM 1174 C GLU A 170 -3.859 16.062 13.739 1.00 13.75 C ATOM 1175 O GLU A 170 -3.646 15.468 14.805 1.00 12.93 O ATOM 1176 CB GLU A 170 -6.256 15.338 13.320 1.00 16.58 C ATOM 1177 CG GLU A 170 -7.136 14.431 12.446 1.00 19.70 C ATOM 1178 CD GLU A 170 -8.619 14.733 12.528 1.00 22.50 C ATOM 1179 OE1 GLU A 170 -9.104 15.560 11.725 1.00 23.68 O ATOM 1180 OE2 GLU A 170 -9.303 14.122 13.378 1.00 23.17 O ATOM 1181 H GLU A 170 -4.862 13.319 12.655 1.00 0.00 H ATOM 1182 N PRO A 171 -3.200 17.182 13.425 1.00 14.02 N ATOM 1183 CA PRO A 171 -2.066 17.618 14.257 1.00 13.62 C ATOM 1184 C PRO A 171 -2.411 17.887 15.710 1.00 10.78 C ATOM 1185 O PRO A 171 -1.544 17.710 16.577 1.00 10.76 O ATOM 1186 CB PRO A 171 -1.530 18.863 13.529 1.00 15.83 C ATOM 1187 CG PRO A 171 -2.562 19.221 12.531 1.00 18.62 C ATOM 1188 CD PRO A 171 -3.343 17.998 12.206 1.00 16.01 C ATOM 1189 N ALA A 172 -3.647 18.293 16.012 1.00 10.44 N ATOM 1190 CA ALA A 172 -4.012 18.527 17.405 1.00 11.00 C ATOM 1191 C ALA A 172 -3.918 17.258 18.247 1.00 10.58 C ATOM 1192 O ALA A 172 -3.719 17.343 19.468 1.00 10.99 O ATOM 1193 CB ALA A 172 -5.422 19.119 17.490 1.00 13.47 C ATOM 1194 H ALA A 172 -4.347 18.442 15.257 1.00 0.00 H ATOM 1195 N THR A 173 -4.064 16.080 17.628 1.00 10.02 N ATOM 1196 CA THR A 173 -3.978 14.818 18.364 1.00 8.83 C ATOM 1197 C THR A 173 -2.558 14.303 18.513 1.00 9.39 C ATOM 1198 O THR A 173 -2.339 13.367 19.288 1.00 10.63 O ATOM 1199 CB THR A 173 -4.887 13.719 17.771 1.00 10.22 C ATOM 1200 OG1 THR A 173 -4.364 13.231 16.522 1.00 10.15 O ATOM 1201 CG2 THR A 173 -6.305 14.239 17.576 1.00 12.03 C ATOM 1202 HG1 THR A 173 -4.307 13.978 15.875 1.00 0.00 H ATOM 1203 H THR A 173 -4.242 16.061 16.604 1.00 0.00 H ATOM 1204 N ALA A 174 -1.591 14.904 17.820 1.00 9.45 N ATOM 1205 CA ALA A 174 -0.182 14.521 17.905 1.00 8.83 C ATOM 1206 C ALA A 174 0.668 15.724 18.316 1.00 9.53 C ATOM 1207 O ALA A 174 1.598 16.119 17.600 1.00 10.52 O ATOM 1208 CB ALA A 174 0.302 13.941 16.577 1.00 10.03 C ATOM 1209 H ALA A 174 -1.852 15.686 17.186 1.00 0.00 H ATOM 1210 N PRO A 175 0.392 16.322 19.478 1.00 8.87 N ATOM 1211 CA PRO A 175 1.168 17.502 19.887 1.00 9.82 C ATOM 1212 C PRO A 175 2.606 17.115 20.204 1.00 9.12 C ATOM 1213 O PRO A 175 2.883 16.025 20.714 1.00 8.92 O ATOM 1214 CB PRO A 175 0.437 17.982 21.146 1.00 10.54 C ATOM 1215 CG PRO A 175 -0.136 16.712 21.724 1.00 10.97 C ATOM 1216 CD PRO A 175 -0.565 15.904 20.524 1.00 9.96 C ATOM 1217 N ASN A 176 3.525 18.018 19.880 1.00 9.81 N ATOM 1218 CA ASN A 176 4.935 17.875 20.260 1.00 9.57 C ATOM 1219 C ASN A 176 5.601 16.660 19.627 1.00 8.88 C ATOM 1220 O ASN A 176 6.553 16.100 20.180 1.00 10.00 O ATOM 1221 CB ASN A 176 5.117 17.884 21.775 1.00 12.22 C ATOM 1222 CG ASN A 176 4.591 19.152 22.388 1.00 15.47 C ATOM 1223 OD1 ASN A 176 5.048 20.242 22.039 1.00 17.28 O ATOM 1224 ND2 ASN A 176 3.599 19.033 23.264 1.00 17.83 N ATOM 1225 HD22 ASN A 176 3.248 18.090 23.527 1.00 0.00 H ATOM 1226 HD21 ASN A 176 3.174 19.883 23.687 1.00 0.00 H ATOM 1227 H ASN A 176 3.235 18.856 19.337 1.00 0.00 H ATOM 1228 N PHE A 177 5.136 16.259 18.449 1.00 9.63 N ATOM 1229 CA PHE A 177 5.724 15.112 17.770 1.00 8.75 C ATOM 1230 C PHE A 177 7.024 15.451 17.041 1.00 8.94 C ATOM 1231 O PHE A 177 7.672 14.543 16.512 1.00 9.64 O ATOM 1232 CB PHE A 177 4.710 14.462 16.816 1.00 9.03 C ATOM 1233 CG PHE A 177 3.936 13.321 17.431 1.00 9.32 C ATOM 1234 CD1 PHE A 177 3.345 13.447 18.682 1.00 9.89 C ATOM 1235 CD2 PHE A 177 3.797 12.124 16.746 1.00 10.19 C ATOM 1236 CE1 PHE A 177 2.634 12.379 19.246 1.00 8.82 C ATOM 1237 CE2 PHE A 177 3.096 11.059 17.302 1.00 9.77 C ATOM 1238 CZ PHE A 177 2.508 11.189 18.547 1.00 9.31 C ATOM 1239 H PHE A 177 4.345 16.769 18.007 1.00 0.00 H ATOM 1240 N GLY A 178 7.448 16.717 17.029 1.00 11.27 N ATOM 1241 CA GLY A 178 8.700 17.087 16.409 1.00 11.91 C ATOM 1242 C GLY A 178 8.783 16.651 14.958 1.00 12.34 C ATOM 1243 O GLY A 178 7.903 16.949 14.141 1.00 13.79 O ATOM 1244 H GLY A 178 6.865 17.453 17.476 1.00 0.00 H ATOM 1245 N PRO A 179 9.844 15.920 14.607 1.00 11.79 N ATOM 1246 CA PRO A 179 10.016 15.485 13.216 1.00 11.13 C ATOM 1247 C PRO A 179 9.164 14.291 12.817 1.00 10.77 C ATOM 1248 O PRO A 179 9.201 13.905 11.646 1.00 12.16 O ATOM 1249 CB PRO A 179 11.506 15.122 13.159 1.00 13.14 C ATOM 1250 CG PRO A 179 11.795 14.621 14.539 1.00 13.07 C ATOM 1251 CD PRO A 179 10.959 15.480 15.466 1.00 12.44 C ATOM 1252 N LEU A 180 8.408 13.689 13.736 1.00 9.99 N ATOM 1253 CA LEU A 180 7.608 12.512 13.402 1.00 9.93 C ATOM 1254 C LEU A 180 6.365 12.933 12.628 1.00 10.56 C ATOM 1255 O LEU A 180 5.554 13.728 13.123 1.00 12.46 O ATOM 1256 CB LEU A 180 7.194 11.766 14.667 1.00 10.88 C ATOM 1257 CG LEU A 180 8.297 11.228 15.568 1.00 11.67 C ATOM 1258 CD1 LEU A 180 7.665 10.331 16.617 1.00 11.73 C ATOM 1259 CD2 LEU A 180 9.363 10.481 14.782 1.00 13.74 C ATOM 1260 H LEU A 180 8.387 14.063 14.706 1.00 0.00 H ATOM 1261 N LYS A 181 6.205 12.384 11.429 1.00 9.90 N ATOM 1262 CA LYS A 181 5.066 12.665 10.560 1.00 10.83 C ATOM 1263 C LYS A 181 4.250 11.385 10.439 1.00 10.05 C ATOM 1264 O LYS A 181 4.685 10.424 9.796 1.00 11.85 O ATOM 1265 CB LYS A 181 5.546 13.121 9.183 1.00 13.65 C ATOM 1266 CG LYS A 181 6.315 14.436 9.190 1.00 17.33 C ATOM 1267 CD LYS A 181 6.780 14.823 7.791 1.00 22.62 C ATOM 1268 CE LYS A 181 5.600 15.158 6.876 1.00 26.43 C ATOM 1269 NZ LYS A 181 6.034 15.812 5.605 1.00 28.47 N ATOM 1270 HZ1 LYS A 181 6.533 16.698 5.825 1.00 0.00 H ATOM 1271 HZ2 LYS A 181 6.671 15.173 5.088 1.00 0.00 H ATOM 1272 HZ3 LYS A 181 5.199 16.019 5.020 1.00 0.00 H ATOM 1273 H LYS A 181 6.930 11.719 11.091 1.00 0.00 H ATOM 1274 N VAL A 182 3.064 11.370 11.040 1.00 9.49 N ATOM 1275 CA VAL A 182 2.285 10.142 11.187 1.00 8.55 C ATOM 1276 C VAL A 182 1.214 10.082 10.105 1.00 9.06 C ATOM 1277 O VAL A 182 0.472 11.049 9.899 1.00 10.41 O ATOM 1278 CB VAL A 182 1.672 10.041 12.595 1.00 8.77 C ATOM 1279 CG1 VAL A 182 0.991 8.703 12.765 1.00 9.76 C ATOM 1280 CG2 VAL A 182 2.757 10.220 13.651 1.00 11.02 C ATOM 1281 H VAL A 182 2.679 12.259 11.417 1.00 0.00 H ATOM 1282 N PHE A 183 1.123 8.938 9.426 1.00 9.01 N ATOM 1283 CA PHE A 183 0.249 8.777 8.269 1.00 9.51 C ATOM 1284 C PHE A 183 -0.493 7.452 8.361 1.00 8.90 C ATOM 1285 O PHE A 183 0.125 6.406 8.581 1.00 8.88 O ATOM 1286 CB PHE A 183 1.074 8.835 6.978 1.00 11.10 C ATOM 1287 CG PHE A 183 0.259 8.679 5.721 1.00 13.39 C ATOM 1288 CD1 PHE A 183 -0.553 9.707 5.268 1.00 15.50 C ATOM 1289 CD2 PHE A 183 0.322 7.506 4.982 1.00 14.47 C ATOM 1290 CE1 PHE A 183 -1.295 9.563 4.112 1.00 16.04 C ATOM 1291 CE2 PHE A 183 -0.413 7.356 3.821 1.00 15.54 C ATOM 1292 CZ PHE A 183 -1.222 8.388 3.387 1.00 16.18 C ATOM 1293 H PHE A 183 1.698 8.128 9.734 1.00 0.00 H ATOM 1294 N TYR A 184 -1.820 7.504 8.225 1.00 9.36 N ATOM 1295 CA TYR A 184 -2.626 6.296 8.103 1.00 10.15 C ATOM 1296 C TYR A 184 -2.808 5.981 6.622 1.00 11.32 C ATOM 1297 O TYR A 184 -3.491 6.742 5.920 1.00 12.63 O ATOM 1298 CB TYR A 184 -3.980 6.487 8.770 1.00 10.92 C ATOM 1299 CG TYR A 184 -4.911 5.319 8.551 1.00 11.79 C ATOM 1300 CD1 TYR A 184 -4.591 4.057 9.038 1.00 12.00 C ATOM 1301 CD2 TYR A 184 -6.105 5.477 7.860 1.00 13.27 C ATOM 1302 CE1 TYR A 184 -5.431 2.976 8.841 1.00 13.00 C ATOM 1303 CE2 TYR A 184 -6.953 4.400 7.655 1.00 13.91 C ATOM 1304 CZ TYR A 184 -6.613 3.155 8.152 1.00 14.41 C ATOM 1305 OH TYR A 184 -7.471 2.092 7.948 1.00 16.64 O ATOM 1306 HH TYR A 184 -7.089 1.277 8.361 1.00 0.00 H ATOM 1307 H TYR A 184 -2.291 8.431 8.206 1.00 0.00 H ATOM 1308 N PRO A 185 -2.242 4.890 6.107 1.00 11.01 N ATOM 1309 CA PRO A 185 -2.275 4.638 4.660 1.00 11.79 C ATOM 1310 C PRO A 185 -3.500 3.881 4.179 1.00 12.93 C ATOM 1311 O PRO A 185 -3.617 3.640 2.969 1.00 13.24 O ATOM 1312 CB PRO A 185 -1.022 3.777 4.456 1.00 11.80 C ATOM 1313 CG PRO A 185 -0.943 2.966 5.724 1.00 10.93 C ATOM 1314 CD PRO A 185 -1.431 3.884 6.828 1.00 9.92 C ATOM 1315 N GLY A 186 -4.403 3.516 5.086 1.00 12.64 N ATOM 1316 CA GLY A 186 -5.484 2.617 4.771 1.00 13.45 C ATOM 1317 C GLY A 186 -5.241 1.242 5.367 1.00 13.48 C ATOM 1318 O GLY A 186 -4.135 0.913 5.819 1.00 13.05 O ATOM 1319 H GLY A 186 -4.326 3.892 6.053 1.00 0.00 H ATOM 1320 N PRO A 187 -6.277 0.403 5.367 1.00 15.02 N ATOM 1321 CA PRO A 187 -6.150 -0.919 5.995 1.00 15.48 C ATOM 1322 C PRO A 187 -5.270 -1.845 5.169 1.00 14.20 C ATOM 1323 O PRO A 187 -5.292 -1.818 3.937 1.00 14.65 O ATOM 1324 CB PRO A 187 -7.598 -1.425 6.061 1.00 17.11 C ATOM 1325 CG PRO A 187 -8.337 -0.638 5.038 1.00 18.54 C ATOM 1326 CD PRO A 187 -7.640 0.677 4.880 1.00 16.66 C ATOM 1327 N GLY A 188 -4.481 -2.663 5.864 1.00 12.73 N ATOM 1328 CA GLY A 188 -3.552 -3.544 5.187 1.00 12.55 C ATOM 1329 C GLY A 188 -3.163 -4.735 6.033 1.00 13.33 C ATOM 1330 O GLY A 188 -3.920 -5.707 6.123 1.00 14.28 O ATOM 1331 H GLY A 188 -4.533 -2.669 6.903 1.00 0.00 H ATOM 1332 N HIS A 189 -1.975 -4.685 6.642 1.00 12.40 N ATOM 1333 CA HIS A 189 -1.603 -5.717 7.604 1.00 12.05 C ATOM 1334 C HIS A 189 -2.654 -5.830 8.702 1.00 11.60 C ATOM 1335 O HIS A 189 -3.034 -6.939 9.098 1.00 12.20 O ATOM 1336 CB HIS A 189 -0.219 -5.419 8.178 1.00 11.31 C ATOM 1337 CG HIS A 189 0.115 -6.216 9.401 1.00 10.85 C ATOM 1338 ND1 HIS A 189 0.488 -7.543 9.345 1.00 11.45 N ATOM 1339 CD2 HIS A 189 0.124 -5.877 10.712 1.00 11.31 C ATOM 1340 CE1 HIS A 189 0.720 -7.983 10.569 1.00 10.82 C ATOM 1341 NE2 HIS A 189 0.511 -6.991 11.419 1.00 10.02 N ATOM 1342 H HIS A 189 -1.315 -3.910 6.430 1.00 0.00 H ATOM 1343 N THR A 190 -3.142 -4.688 9.192 1.00 11.37 N ATOM 1344 CA THR A 190 -4.331 -4.619 10.027 1.00 11.19 C ATOM 1345 C THR A 190 -5.141 -3.403 9.600 1.00 12.50 C ATOM 1346 O THR A 190 -4.672 -2.555 8.841 1.00 13.20 O ATOM 1347 CB THR A 190 -3.990 -4.467 11.510 1.00 10.56 C ATOM 1348 OG1 THR A 190 -3.219 -3.271 11.685 1.00 11.00 O ATOM 1349 CG2 THR A 190 -3.206 -5.654 12.026 1.00 11.43 C ATOM 1350 HG1 THR A 190 -2.993 -3.163 12.643 1.00 0.00 H ATOM 1351 H THR A 190 -2.647 -3.802 8.965 1.00 0.00 H ATOM 1352 N SER A 191 -6.371 -3.306 10.108 1.00 13.21 N ATOM 1353 CA SER A 191 -7.181 -2.136 9.783 1.00 14.41 C ATOM 1354 C SER A 191 -6.669 -0.869 10.458 1.00 12.58 C ATOM 1355 O SER A 191 -6.951 0.236 9.974 1.00 13.48 O ATOM 1356 CB SER A 191 -8.644 -2.371 10.156 1.00 16.83 C ATOM 1357 OG SER A 191 -9.227 -3.353 9.312 1.00 20.01 O ATOM 1358 HG SER A 191 -8.732 -4.205 9.408 1.00 0.00 H ATOM 1359 H SER A 191 -6.747 -4.053 10.726 1.00 0.00 H ATOM 1360 N ASP A 192 -5.916 -0.997 11.551 1.00 10.90 N ATOM 1361 CA ASP A 192 -5.462 0.156 12.317 1.00 9.84 C ATOM 1362 C ASP A 192 -4.010 0.540 12.052 1.00 8.65 C ATOM 1363 O ASP A 192 -3.524 1.500 12.667 1.00 9.18 O ATOM 1364 CB ASP A 192 -5.676 -0.074 13.827 1.00 10.10 C ATOM 1365 CG ASP A 192 -4.899 -1.265 14.364 1.00 10.61 C ATOM 1366 OD1 ASP A 192 -4.808 -2.285 13.653 1.00 11.67 O ATOM 1367 OD2 ASP A 192 -4.388 -1.191 15.499 1.00 9.94 O ATOM 1368 H ASP A 192 -5.644 -1.950 11.867 1.00 0.00 H ATOM 1369 N ASN A 193 -3.314 -0.151 11.149 1.00 9.40 N ATOM 1370 CA ASN A 193 -1.884 0.100 10.969 1.00 9.25 C ATOM 1371 C ASN A 193 -1.589 1.545 10.568 1.00 8.08 C ATOM 1372 O ASN A 193 -2.247 2.113 9.693 1.00 9.51 O ATOM 1373 CB ASN A 193 -1.200 -0.933 10.039 1.00 9.44 C ATOM 1374 CG ASN A 193 -1.856 -1.111 8.655 1.00 10.97 C ATOM 1375 OD1 ASN A 193 -1.641 -2.152 8.026 1.00 11.15 O ATOM 1376 ND2 ASN A 193 -2.577 -0.112 8.157 1.00 12.45 N ATOM 1377 HD22 ASN A 193 -2.734 0.748 8.721 1.00 0.00 H ATOM 1378 HD21 ASN A 193 -2.985 -0.190 7.203 1.00 0.00 H ATOM 1379 H ASN A 193 -3.790 -0.872 10.570 1.00 0.00 H ATOM 1380 N ILE A 194 -0.602 2.149 11.228 1.00 7.11 N ATOM 1381 CA ILE A 194 -0.162 3.498 10.892 1.00 6.53 C ATOM 1382 C ILE A 194 1.336 3.471 10.592 1.00 6.66 C ATOM 1383 O ILE A 194 2.031 2.494 10.870 1.00 8.19 O ATOM 1384 CB ILE A 194 -0.528 4.548 11.962 1.00 7.64 C ATOM 1385 CG1 ILE A 194 0.115 4.208 13.317 1.00 7.08 C ATOM 1386 CG2 ILE A 194 -2.042 4.663 12.075 1.00 8.56 C ATOM 1387 CD1 ILE A 194 -0.032 5.320 14.383 1.00 8.43 C ATOM 1388 H ILE A 194 -0.131 1.644 12.006 1.00 0.00 H ATOM 1389 N THR A 195 1.822 4.554 9.986 1.00 7.60 N ATOM 1390 CA THR A 195 3.202 4.644 9.514 1.00 8.36 C ATOM 1391 C THR A 195 3.781 5.997 9.921 1.00 8.14 C ATOM 1392 O THR A 195 3.044 6.932 10.247 1.00 8.30 O ATOM 1393 CB THR A 195 3.278 4.454 7.980 1.00 8.35 C ATOM 1394 OG1 THR A 195 2.597 5.539 7.334 1.00 9.42 O ATOM 1395 CG2 THR A 195 2.633 3.127 7.543 1.00 8.93 C ATOM 1396 HG1 THR A 195 1.650 5.550 7.621 1.00 0.00 H ATOM 1397 H THR A 195 1.193 5.369 9.843 1.00 0.00 H ATOM 1398 N VAL A 196 5.112 6.109 9.912 1.00 8.36 N ATOM 1399 CA VAL A 196 5.781 7.293 10.461 1.00 8.96 C ATOM 1400 C VAL A 196 6.988 7.648 9.606 1.00 9.70 C ATOM 1401 O VAL A 196 7.871 6.812 9.402 1.00 10.41 O ATOM 1402 CB VAL A 196 6.246 7.076 11.916 1.00 8.75 C ATOM 1403 CG1 VAL A 196 6.843 8.366 12.468 1.00 10.43 C ATOM 1404 CG2 VAL A 196 5.107 6.589 12.807 1.00 9.10 C ATOM 1405 H VAL A 196 5.685 5.341 9.508 1.00 0.00 H ATOM 1406 N GLY A 197 7.047 8.892 9.140 1.00 9.77 N ATOM 1407 CA GLY A 197 8.230 9.421 8.488 1.00 10.93 C ATOM 1408 C GLY A 197 8.984 10.318 9.452 1.00 10.30 C ATOM 1409 O GLY A 197 8.403 10.876 10.379 1.00 10.91 O ATOM 1410 H GLY A 197 6.216 9.508 9.247 1.00 0.00 H ATOM 1411 N ILE A 198 10.291 10.436 9.253 1.00 11.32 N ATOM 1412 CA ILE A 198 11.126 11.276 10.108 1.00 11.23 C ATOM 1413 C ILE A 198 11.611 12.459 9.277 1.00 12.11 C ATOM 1414 O ILE A 198 12.513 12.322 8.439 1.00 12.18 O ATOM 1415 CB ILE A 198 12.288 10.500 10.733 1.00 12.98 C ATOM 1416 CG1 ILE A 198 11.773 9.233 11.426 1.00 15.34 C ATOM 1417 CG2 ILE A 198 13.049 11.403 11.697 1.00 13.92 C ATOM 1418 CD1 ILE A 198 12.863 8.368 12.006 1.00 17.33 C ATOM 1419 H ILE A 198 10.732 9.917 8.467 1.00 0.00 H ATOM 1420 N ASP A 199 11.006 13.627 9.507 1.00 13.51 N ATOM 1421 CA ASP A 199 11.400 14.839 8.800 1.00 16.34 C ATOM 1422 C ASP A 199 12.879 15.122 9.034 1.00 18.83 C ATOM 1423 O ASP A 199 13.416 14.854 10.114 1.00 20.05 O ATOM 1424 CB ASP A 199 10.555 16.014 9.302 1.00 19.94 C ATOM 1425 CG ASP A 199 10.204 17.012 8.207 1.00 24.91 C ATOM 1426 OD1 ASP A 199 10.538 16.779 7.024 1.00 27.01 O ATOM 1427 OD2 ASP A 199 9.582 18.042 8.543 1.00 26.48 O ATOM 1428 H ASP A 199 10.237 13.673 10.206 1.00 0.00 H ATOM 1429 N GLY A 200 13.542 15.652 8.007 1.00 20.69 N ATOM 1430 CA GLY A 200 14.967 15.908 8.085 1.00 21.91 C ATOM 1431 C GLY A 200 15.848 14.699 7.862 1.00 22.70 C ATOM 1432 O GLY A 200 17.070 14.804 8.017 1.00 26.18 O ATOM 1433 H GLY A 200 13.028 15.886 7.134 1.00 0.00 H ATOM 1434 N THR A 201 15.271 13.550 7.521 1.00 19.93 N ATOM 1435 CA THR A 201 16.022 12.340 7.215 1.00 17.20 C ATOM 1436 C THR A 201 15.459 11.732 5.941 1.00 17.04 C ATOM 1437 O THR A 201 14.449 12.190 5.400 1.00 18.04 O ATOM 1438 CB THR A 201 15.926 11.299 8.341 1.00 15.94 C ATOM 1439 OG1 THR A 201 14.661 10.625 8.270 1.00 13.29 O ATOM 1440 CG2 THR A 201 16.089 11.944 9.717 1.00 17.09 C ATOM 1441 HG1 THR A 201 13.930 11.286 8.370 1.00 0.00 H ATOM 1442 H THR A 201 14.233 13.514 7.470 1.00 0.00 H ATOM 1443 N ASP A 202 16.106 10.666 5.475 1.00 16.35 N ATOM 1444 CA ASP A 202 15.603 9.896 4.346 1.00 15.43 C ATOM 1445 C ASP A 202 14.828 8.653 4.778 1.00 13.36 C ATOM 1446 O ASP A 202 14.669 7.727 3.977 1.00 12.75 O ATOM 1447 CB ASP A 202 16.734 9.546 3.369 1.00 18.13 C ATOM 1448 CG ASP A 202 17.829 8.668 3.988 1.00 19.87 C ATOM 1449 OD1 ASP A 202 17.721 8.258 5.163 1.00 20.15 O ATOM 1450 OD2 ASP A 202 18.823 8.384 3.275 1.00 22.57 O ATOM 1451 H ASP A 202 16.995 10.375 5.930 1.00 0.00 H ATOM 1452 N ILE A 203 14.321 8.628 6.012 1.00 12.45 N ATOM 1453 CA ILE A 203 13.786 7.418 6.632 1.00 11.96 C ATOM 1454 C ILE A 203 12.272 7.515 6.741 1.00 11.70 C ATOM 1455 O ILE A 203 11.735 8.539 7.183 1.00 11.72 O ATOM 1456 CB ILE A 203 14.398 7.197 8.027 1.00 11.93 C ATOM 1457 CG1 ILE A 203 15.902 6.934 7.920 1.00 13.13 C ATOM 1458 CG2 ILE A 203 13.666 6.074 8.779 1.00 12.48 C ATOM 1459 CD1 ILE A 203 16.619 6.997 9.250 1.00 14.06 C ATOM 1460 H ILE A 203 14.306 9.512 6.559 1.00 0.00 H ATOM 1461 N ALA A 204 11.588 6.431 6.372 1.00 10.70 N ATOM 1462 CA ALA A 204 10.174 6.251 6.673 1.00 10.57 C ATOM 1463 C ALA A 204 9.955 4.835 7.187 1.00 9.83 C ATOM 1464 O ALA A 204 10.631 3.890 6.761 1.00 11.52 O ATOM 1465 CB ALA A 204 9.293 6.499 5.442 1.00 12.61 C ATOM 1466 H ALA A 204 12.085 5.683 5.847 1.00 0.00 H ATOM 1467 N PHE A 205 9.002 4.695 8.109 1.00 9.41 N ATOM 1468 CA PHE A 205 8.779 3.448 8.838 1.00 8.90 C ATOM 1469 C PHE A 205 7.411 2.890 8.478 1.00 8.04 C ATOM 1470 O PHE A 205 6.384 3.520 8.757 1.00 8.61 O ATOM 1471 CB PHE A 205 8.877 3.690 10.348 1.00 8.78 C ATOM 1472 CG PHE A 205 8.652 2.447 11.191 1.00 8.84 C ATOM 1473 CD1 PHE A 205 9.609 1.446 11.243 1.00 9.59 C ATOM 1474 CD2 PHE A 205 7.497 2.302 11.949 1.00 8.89 C ATOM 1475 CE1 PHE A 205 9.422 0.316 12.031 1.00 8.93 C ATOM 1476 CE2 PHE A 205 7.303 1.173 12.739 1.00 8.99 C ATOM 1477 CZ PHE A 205 8.264 0.187 12.788 1.00 8.37 C ATOM 1478 H PHE A 205 8.390 5.509 8.319 1.00 0.00 H ATOM 1479 N GLY A 206 7.400 1.693 7.891 1.00 8.80 N ATOM 1480 CA GLY A 206 6.159 1.074 7.490 1.00 9.15 C ATOM 1481 C GLY A 206 5.584 0.078 8.476 1.00 9.25 C ATOM 1482 O GLY A 206 4.476 -0.416 8.262 1.00 10.48 O ATOM 1483 H GLY A 206 8.298 1.198 7.720 1.00 0.00 H ATOM 1484 N GLY A 207 6.313 -0.241 9.546 1.00 9.37 N ATOM 1485 CA GLY A 207 5.806 -1.218 10.501 1.00 9.54 C ATOM 1486 C GLY A 207 5.554 -2.567 9.855 1.00 10.55 C ATOM 1487 O GLY A 207 6.329 -3.039 9.015 1.00 11.33 O ATOM 1488 H GLY A 207 7.240 0.206 9.698 1.00 0.00 H ATOM 1489 N CYS A 208 4.455 -3.207 10.245 1.00 10.10 N ATOM 1490 CA CYS A 208 4.163 -4.518 9.673 1.00 11.21 C ATOM 1491 C CYS A 208 3.475 -4.443 8.320 1.00 9.87 C ATOM 1492 O CYS A 208 3.239 -5.495 7.710 1.00 12.77 O ATOM 1493 CB CYS A 208 3.377 -5.410 10.630 1.00 12.08 C ATOM 1494 SG CYS A 208 4.169 -5.805 12.183 1.00 10.95 S ATOM 1495 H CYS A 208 3.815 -2.781 10.945 1.00 0.00 H ATOM 1496 N LEU A 209 3.174 -3.239 7.820 1.00 9.94 N ATOM 1497 CA LEU A 209 2.567 -3.117 6.497 1.00 11.30 C ATOM 1498 C LEU A 209 3.537 -3.540 5.399 1.00 11.22 C ATOM 1499 O LEU A 209 3.138 -4.183 4.418 1.00 11.65 O ATOM 1500 CB LEU A 209 2.116 -1.674 6.269 1.00 10.71 C ATOM 1501 CG LEU A 209 1.511 -1.343 4.896 1.00 10.86 C ATOM 1502 CD1 LEU A 209 0.152 -2.013 4.751 1.00 12.04 C ATOM 1503 CD2 LEU A 209 1.395 0.174 4.716 1.00 11.35 C ATOM 1504 H LEU A 209 3.374 -2.384 8.377 1.00 0.00 H ATOM 1505 N ILE A 210 4.814 -3.196 5.544 1.00 11.28 N ATOM 1506 CA ILE A 210 5.802 -3.331 4.477 1.00 12.38 C ATOM 1507 C ILE A 210 6.717 -4.507 4.791 1.00 12.75 C ATOM 1508 O ILE A 210 7.186 -4.653 5.929 1.00 12.28 O ATOM 1509 CB ILE A 210 6.603 -2.029 4.298 1.00 13.75 C ATOM 1510 CG1 ILE A 210 5.656 -0.862 3.981 1.00 13.25 C ATOM 1511 CG2 ILE A 210 7.670 -2.189 3.214 1.00 14.30 C ATOM 1512 CD1 ILE A 210 4.860 -1.030 2.690 1.00 13.49 C ATOM 1513 H ILE A 210 5.123 -2.813 6.460 1.00 0.00 H ATOM 1514 N LYS A 211 6.952 -5.351 3.787 1.00 14.27 N ATOM 1515 CA LYS A 211 7.959 -6.402 3.830 1.00 15.30 C ATOM 1516 C LYS A 211 9.097 -6.051 2.877 1.00 14.59 C ATOM 1517 O LYS A 211 8.954 -5.222 1.976 1.00 14.62 O ATOM 1518 CB LYS A 211 7.371 -7.758 3.417 1.00 16.27 C ATOM 1519 CG LYS A 211 5.971 -8.014 3.918 1.00 18.72 C ATOM 1520 CD LYS A 211 5.922 -7.996 5.430 1.00 19.62 C ATOM 1521 CE LYS A 211 4.493 -8.063 5.909 1.00 20.89 C ATOM 1522 NZ LYS A 211 4.390 -8.124 7.393 1.00 20.71 N ATOM 1523 HZ1 LYS A 211 4.884 -8.971 7.739 1.00 0.00 H ATOM 1524 HZ2 LYS A 211 4.826 -7.275 7.805 1.00 0.00 H ATOM 1525 HZ3 LYS A 211 3.388 -8.169 7.668 1.00 0.00 H ATOM 1526 H LYS A 211 6.383 -5.253 2.922 1.00 0.00 H ATOM 1527 N ASP A 212 10.235 -6.696 3.082 1.00 16.76 N ATOM 1528 CA ASP A 212 11.393 -6.395 2.311 1.00 18.78 C ATOM 1529 C ASP A 212 11.269 -6.834 0.819 1.00 18.95 C ATOM 1530 O ASP A 212 10.471 -7.595 0.492 1.00 18.42 O ATOM 1531 CB ASP A 212 12.659 -6.933 2.965 1.00 21.56 C ATOM 1532 CG ASP A 212 12.796 -8.444 2.804 1.00 25.00 C ATOM 1533 OD1 ASP A 212 13.179 -8.918 1.776 1.00 26.19 O ATOM 1534 OD2 ASP A 212 12.416 -9.145 3.674 1.00 28.04 O ATOM 1535 H ASP A 212 10.283 -7.432 3.815 1.00 0.00 H ATOM 1536 N SER A 213 12.171 -6.275 0.035 1.00 19.56 N ATOM 1537 CA SER A 213 12.237 -6.506 -1.443 1.00 22.11 C ATOM 1538 C SER A 213 12.413 -7.982 -1.833 1.00 23.27 C ATOM 1539 O SER A 213 12.044 -8.312 -2.935 1.00 24.28 O ATOM 1540 CB SER A 213 13.232 -5.607 -2.142 1.00 23.65 C ATOM 1541 OG SER A 213 14.514 -5.933 -1.768 1.00 25.17 O ATOM 1542 HG SER A 213 14.609 -5.822 -0.789 1.00 0.00 H ATOM 1543 H SER A 213 12.873 -5.640 0.466 1.00 0.00 H ATOM 1544 N LYS A 214 12.959 -8.829 -0.995 1.00 25.30 N ATOM 1545 CA LYS A 214 13.081 -10.245 -1.304 1.00 28.58 C ATOM 1546 C LYS A 214 12.138 -11.109 -0.510 1.00 26.81 C ATOM 1547 O LYS A 214 12.228 -12.304 -0.509 1.00 28.18 O ATOM 1548 CB LYS A 214 14.526 -10.721 -1.094 1.00 33.25 C ATOM 1549 CG LYS A 214 15.578 -9.773 -1.583 1.00 37.94 C ATOM 1550 CD LYS A 214 16.201 -10.097 -2.902 1.00 40.94 C ATOM 1551 CE LYS A 214 17.698 -9.839 -2.747 1.00 43.29 C ATOM 1552 NZ LYS A 214 18.150 -8.419 -2.917 1.00 44.40 N ATOM 1553 HZ1 LYS A 214 17.900 -8.089 -3.871 1.00 0.00 H ATOM 1554 HZ2 LYS A 214 17.681 -7.820 -2.208 1.00 0.00 H ATOM 1555 HZ3 LYS A 214 19.181 -8.367 -2.790 1.00 0.00 H ATOM 1556 H LYS A 214 13.315 -8.479 -0.083 1.00 0.00 H ATOM 1557 N ALA A 215 11.189 -10.508 0.191 1.00 25.11 N ATOM 1558 CA ALA A 215 10.292 -11.308 0.977 1.00 23.73 C ATOM 1559 C ALA A 215 9.454 -12.268 0.150 1.00 23.52 C ATOM 1560 O ALA A 215 9.022 -11.911 -0.908 1.00 22.57 O ATOM 1561 CB ALA A 215 9.371 -10.390 1.823 1.00 22.56 C ATOM 1562 H ALA A 215 11.095 -9.472 0.173 1.00 0.00 H ATOM 1563 N LYS A 216 9.158 -13.446 0.711 1.00 24.84 N ATOM 1564 CA LYS A 216 8.372 -14.453 0.013 1.00 27.28 C ATOM 1565 C LYS A 216 6.887 -14.376 0.331 1.00 26.81 C ATOM 1566 O LYS A 216 6.074 -14.888 -0.441 1.00 28.26 O ATOM 1567 CB LYS A 216 8.895 -15.857 0.333 1.00 30.60 C ATOM 1568 CG LYS A 216 10.164 -16.214 -0.419 1.00 33.62 C ATOM 1569 CD LYS A 216 10.846 -17.442 0.171 1.00 36.06 C ATOM 1570 CE LYS A 216 9.874 -18.600 0.321 1.00 38.06 C ATOM 1571 NZ LYS A 216 10.547 -19.916 0.116 1.00 39.28 N ATOM 1572 HZ1 LYS A 216 10.953 -19.951 -0.841 1.00 0.00 H ATOM 1573 HZ2 LYS A 216 11.304 -20.030 0.820 1.00 0.00 H ATOM 1574 HZ3 LYS A 216 9.851 -20.681 0.226 1.00 0.00 H ATOM 1575 H LYS A 216 9.499 -13.648 1.673 1.00 0.00 H ATOM 1576 N SER A 217 6.502 -13.745 1.433 1.00 25.25 N ATOM 1577 CA SER A 217 5.090 -13.675 1.772 1.00 24.76 C ATOM 1578 C SER A 217 4.810 -12.371 2.496 1.00 23.97 C ATOM 1579 O SER A 217 5.724 -11.623 2.852 1.00 23.72 O ATOM 1580 CB SER A 217 4.647 -14.867 2.624 1.00 25.22 C ATOM 1581 OG SER A 217 4.935 -14.655 3.995 1.00 26.28 O ATOM 1582 HG SER A 217 4.638 -15.441 4.519 1.00 0.00 H ATOM 1583 H SER A 217 7.209 -13.301 2.053 1.00 0.00 H ATOM 1584 N LEU A 218 3.524 -12.107 2.707 1.00 22.24 N ATOM 1585 CA LEU A 218 3.084 -10.948 3.470 1.00 21.69 C ATOM 1586 C LEU A 218 2.907 -11.257 4.951 1.00 21.67 C ATOM 1587 O LEU A 218 2.334 -10.439 5.682 1.00 22.99 O ATOM 1588 CB LEU A 218 1.799 -10.365 2.868 1.00 22.03 C ATOM 1589 CG LEU A 218 1.969 -9.701 1.500 1.00 21.96 C ATOM 1590 CD1 LEU A 218 0.619 -9.453 0.840 1.00 22.69 C ATOM 1591 CD2 LEU A 218 2.746 -8.398 1.638 1.00 21.01 C ATOM 1592 H LEU A 218 2.808 -12.751 2.313 1.00 0.00 H ATOM 1593 N GLY A 219 3.374 -12.422 5.404 1.00 21.83 N ATOM 1594 CA GLY A 219 3.437 -12.686 6.832 1.00 20.58 C ATOM 1595 C GLY A 219 2.076 -13.022 7.414 1.00 18.98 C ATOM 1596 O GLY A 219 1.269 -13.743 6.816 1.00 20.17 O ATOM 1597 H GLY A 219 3.695 -13.146 4.730 1.00 0.00 H ATOM 1598 N ASN A 220 1.805 -12.476 8.599 1.00 17.63 N ATOM 1599 CA ASN A 220 0.574 -12.787 9.319 1.00 16.94 C ATOM 1600 C ASN A 220 -0.575 -11.976 8.735 1.00 16.89 C ATOM 1601 O ASN A 220 -0.669 -10.765 8.960 1.00 17.19 O ATOM 1602 CB ASN A 220 0.730 -12.482 10.804 1.00 16.11 C ATOM 1603 CG ASN A 220 -0.579 -12.583 11.551 1.00 16.21 C ATOM 1604 OD1 ASN A 220 -1.415 -13.437 11.240 1.00 17.24 O ATOM 1605 ND2 ASN A 220 -0.776 -11.708 12.532 1.00 16.14 N ATOM 1606 HD22 ASN A 220 -0.042 -11.006 12.758 1.00 0.00 H ATOM 1607 HD21 ASN A 220 -1.664 -11.725 13.073 1.00 0.00 H ATOM 1608 H ASN A 220 2.486 -11.813 9.021 1.00 0.00 H ATOM 1609 N LEU A 221 -1.476 -12.649 8.027 1.00 17.94 N ATOM 1610 CA LEU A 221 -2.658 -12.014 7.468 1.00 19.16 C ATOM 1611 C LEU A 221 -3.905 -12.233 8.317 1.00 17.86 C ATOM 1612 O LEU A 221 -5.012 -11.941 7.857 1.00 17.79 O ATOM 1613 CB LEU A 221 -2.887 -12.490 6.031 1.00 21.29 C ATOM 1614 CG LEU A 221 -1.794 -12.127 5.019 1.00 22.50 C ATOM 1615 CD1 LEU A 221 -2.091 -12.739 3.653 1.00 23.15 C ATOM 1616 CD2 LEU A 221 -1.640 -10.619 4.897 1.00 23.30 C ATOM 1617 H LEU A 221 -1.330 -13.666 7.867 1.00 0.00 H ATOM 1618 N GLY A 222 -3.751 -12.720 9.553 1.00 16.47 N ATOM 1619 CA GLY A 222 -4.911 -13.053 10.367 1.00 17.84 C ATOM 1620 C GLY A 222 -5.867 -11.895 10.593 1.00 17.92 C ATOM 1621 O GLY A 222 -7.082 -12.094 10.678 1.00 19.03 O ATOM 1622 H GLY A 222 -2.795 -12.862 9.936 1.00 0.00 H ATOM 1623 N ASP A 223 -5.342 -10.675 10.695 1.00 15.53 N ATOM 1624 CA ASP A 223 -6.163 -9.486 10.897 1.00 14.92 C ATOM 1625 C ASP A 223 -6.101 -8.534 9.709 1.00 14.60 C ATOM 1626 O ASP A 223 -6.477 -7.363 9.834 1.00 13.57 O ATOM 1627 CB ASP A 223 -5.767 -8.762 12.187 1.00 14.87 C ATOM 1628 CG ASP A 223 -6.180 -9.519 13.430 1.00 15.35 C ATOM 1629 OD1 ASP A 223 -7.352 -9.947 13.509 1.00 18.43 O ATOM 1630 OD2 ASP A 223 -5.335 -9.711 14.321 1.00 15.98 O ATOM 1631 H ASP A 223 -4.310 -10.566 10.628 1.00 0.00 H ATOM 1632 N ALA A 224 -5.665 -9.025 8.552 1.00 14.67 N ATOM 1633 CA ALA A 224 -5.397 -8.177 7.404 1.00 14.76 C ATOM 1634 C ALA A 224 -6.670 -7.859 6.625 1.00 16.62 C ATOM 1635 O ALA A 224 -7.674 -8.576 6.683 1.00 18.54 O ATOM 1636 CB ALA A 224 -4.391 -8.856 6.473 1.00 14.87 C ATOM 1637 H ALA A 224 -5.511 -10.050 8.467 1.00 0.00 H ATOM 1638 N ASP A 225 -6.603 -6.765 5.874 1.00 16.77 N ATOM 1639 CA ASP A 225 -7.607 -6.393 4.880 1.00 18.71 C ATOM 1640 C ASP A 225 -6.990 -6.716 3.522 1.00 19.64 C ATOM 1641 O ASP A 225 -6.221 -5.926 2.971 1.00 20.03 O ATOM 1642 CB ASP A 225 -7.926 -4.907 5.011 1.00 19.58 C ATOM 1643 CG ASP A 225 -9.061 -4.467 4.103 1.00 20.45 C ATOM 1644 OD1 ASP A 225 -9.169 -4.978 2.969 1.00 20.32 O ATOM 1645 OD2 ASP A 225 -9.851 -3.604 4.531 1.00 22.41 O ATOM 1646 H ASP A 225 -5.786 -6.135 6.002 1.00 0.00 H ATOM 1647 N THR A 226 -7.328 -7.888 2.983 1.00 22.27 N ATOM 1648 CA THR A 226 -6.662 -8.351 1.770 1.00 25.25 C ATOM 1649 C THR A 226 -7.068 -7.542 0.544 1.00 25.25 C ATOM 1650 O THR A 226 -6.264 -7.382 -0.383 1.00 26.57 O ATOM 1651 CB THR A 226 -6.925 -9.841 1.565 1.00 27.47 C ATOM 1652 OG1 THR A 226 -8.337 -10.065 1.457 1.00 28.49 O ATOM 1653 CG2 THR A 226 -6.374 -10.630 2.749 1.00 27.82 C ATOM 1654 HG1 THR A 226 -8.693 -9.557 0.685 1.00 0.00 H ATOM 1655 H THR A 226 -8.066 -8.472 3.427 1.00 0.00 H ATOM 1656 N GLU A 227 -8.295 -7.024 0.516 1.00 23.89 N ATOM 1657 CA GLU A 227 -8.733 -6.251 -0.641 1.00 25.71 C ATOM 1658 C GLU A 227 -7.942 -4.957 -0.781 1.00 23.18 C ATOM 1659 O GLU A 227 -7.570 -4.570 -1.895 1.00 23.21 O ATOM 1660 CB GLU A 227 -10.229 -5.947 -0.544 1.00 29.94 C ATOM 1661 CG GLU A 227 -10.707 -4.915 -1.563 1.00 35.13 C ATOM 1662 CD GLU A 227 -12.174 -4.548 -1.405 1.00 39.70 C ATOM 1663 OE1 GLU A 227 -12.724 -3.897 -2.322 1.00 41.32 O ATOM 1664 OE2 GLU A 227 -12.775 -4.903 -0.368 1.00 41.53 O ATOM 1665 H GLU A 227 -8.940 -7.171 1.318 1.00 0.00 H ATOM 1666 N HIS A 228 -7.663 -4.281 0.334 1.00 21.76 N ATOM 1667 CA HIS A 228 -7.113 -2.931 0.311 1.00 20.83 C ATOM 1668 C HIS A 228 -5.609 -2.871 0.549 1.00 18.47 C ATOM 1669 O HIS A 228 -5.031 -1.784 0.448 1.00 17.70 O ATOM 1670 CB HIS A 228 -7.837 -2.046 1.333 1.00 22.49 C ATOM 1671 CG HIS A 228 -9.307 -1.913 1.082 1.00 24.57 C ATOM 1672 ND1 HIS A 228 -10.256 -2.499 1.892 1.00 25.76 N ATOM 1673 CD2 HIS A 228 -9.990 -1.264 0.110 1.00 25.95 C ATOM 1674 CE1 HIS A 228 -11.461 -2.215 1.431 1.00 26.36 C ATOM 1675 NE2 HIS A 228 -11.327 -1.468 0.350 1.00 26.78 N ATOM 1676 H HIS A 228 -7.844 -4.733 1.253 1.00 0.00 H ATOM 1677 N TYR A 229 -4.968 -4.005 0.848 1.00 17.97 N ATOM 1678 CA TYR A 229 -3.553 -4.019 1.215 1.00 15.95 C ATOM 1679 C TYR A 229 -2.682 -3.344 0.159 1.00 15.95 C ATOM 1680 O TYR A 229 -1.848 -2.491 0.485 1.00 14.71 O ATOM 1681 CB TYR A 229 -3.116 -5.468 1.446 1.00 16.58 C ATOM 1682 CG TYR A 229 -1.894 -5.664 2.326 1.00 14.78 C ATOM 1683 CD1 TYR A 229 -0.709 -4.971 2.094 1.00 15.33 C ATOM 1684 CD2 TYR A 229 -1.920 -6.572 3.379 1.00 14.83 C ATOM 1685 CE1 TYR A 229 0.411 -5.169 2.898 1.00 15.17 C ATOM 1686 CE2 TYR A 229 -0.811 -6.781 4.181 1.00 14.01 C ATOM 1687 CZ TYR A 229 0.351 -6.071 3.943 1.00 14.25 C ATOM 1688 OH TYR A 229 1.458 -6.278 4.745 1.00 13.52 O ATOM 1689 HH TYR A 229 2.198 -5.695 4.441 1.00 0.00 H ATOM 1690 H TYR A 229 -5.491 -4.903 0.819 1.00 0.00 H ATOM 1691 N ALA A 230 -2.858 -3.714 -1.116 1.00 16.09 N ATOM 1692 CA ALA A 230 -1.984 -3.183 -2.160 1.00 17.18 C ATOM 1693 C ALA A 230 -2.053 -1.660 -2.218 1.00 17.19 C ATOM 1694 O ALA A 230 -1.021 -0.979 -2.263 1.00 17.02 O ATOM 1695 CB ALA A 230 -2.340 -3.803 -3.513 1.00 17.74 C ATOM 1696 H ALA A 230 -3.618 -4.380 -1.363 1.00 0.00 H ATOM 1697 N ALA A 231 -3.269 -1.110 -2.211 1.00 17.51 N ATOM 1698 CA ALA A 231 -3.423 0.337 -2.291 1.00 18.00 C ATOM 1699 C ALA A 231 -2.845 1.021 -1.061 1.00 16.82 C ATOM 1700 O ALA A 231 -2.269 2.109 -1.165 1.00 17.37 O ATOM 1701 CB ALA A 231 -4.897 0.701 -2.465 1.00 19.00 C ATOM 1702 H ALA A 231 -4.111 -1.717 -2.148 1.00 0.00 H ATOM 1703 N SER A 232 -2.980 0.391 0.111 1.00 15.60 N ATOM 1704 CA SER A 232 -2.441 0.979 1.335 1.00 14.45 C ATOM 1705 C SER A 232 -0.918 1.005 1.314 1.00 13.57 C ATOM 1706 O SER A 232 -0.308 1.990 1.740 1.00 13.66 O ATOM 1707 CB SER A 232 -2.963 0.227 2.558 1.00 15.24 C ATOM 1708 OG SER A 232 -4.377 0.325 2.620 1.00 16.41 O ATOM 1709 HG SER A 232 -4.706 -0.165 3.415 1.00 0.00 H ATOM 1710 H SER A 232 -3.472 -0.524 0.151 1.00 0.00 H ATOM 1711 N ALA A 233 -0.289 -0.060 0.810 1.00 12.46 N ATOM 1712 CA ALA A 233 1.162 -0.054 0.658 1.00 13.71 C ATOM 1713 C ALA A 233 1.611 1.071 -0.268 1.00 13.85 C ATOM 1714 O ALA A 233 2.576 1.783 0.030 1.00 14.15 O ATOM 1715 CB ALA A 233 1.643 -1.409 0.137 1.00 14.86 C ATOM 1716 H ALA A 233 -0.836 -0.897 0.525 1.00 0.00 H ATOM 1717 N ARG A 234 0.935 1.235 -1.413 1.00 15.47 N ATOM 1718 CA ARG A 234 1.309 2.304 -2.338 1.00 15.63 C ATOM 1719 C ARG A 234 1.055 3.678 -1.730 1.00 15.67 C ATOM 1720 O ARG A 234 1.827 4.616 -1.958 1.00 17.24 O ATOM 1721 CB ARG A 234 0.593 2.132 -3.679 1.00 16.45 C ATOM 1722 CG ARG A 234 1.022 0.858 -4.385 1.00 17.07 C ATOM 1723 CD ARG A 234 0.514 0.732 -5.808 1.00 17.47 C ATOM 1724 NE ARG A 234 1.200 -0.386 -6.451 1.00 18.88 N ATOM 1725 CZ ARG A 234 0.643 -1.568 -6.700 1.00 19.21 C ATOM 1726 NH1 ARG A 234 -0.633 -1.786 -6.400 1.00 20.18 N ATOM 1727 NH2 ARG A 234 1.358 -2.528 -7.271 1.00 19.01 N ATOM 1728 HE ARG A 234 2.191 -0.248 -6.733 1.00 0.00 H ATOM 1729 HH12 ARG A 234 -1.063 -2.712 -6.597 1.00 0.00 H ATOM 1730 HH11 ARG A 234 -1.202 -1.030 -5.968 1.00 0.00 H ATOM 1731 HH22 ARG A 234 0.925 -3.453 -7.467 1.00 0.00 H ATOM 1732 HH21 ARG A 234 2.352 -2.356 -7.523 1.00 0.00 H ATOM 1733 H ARG A 234 0.143 0.601 -1.644 1.00 0.00 H ATOM 1734 N ALA A 235 -0.011 3.809 -0.936 1.00 15.10 N ATOM 1735 CA ALA A 235 -0.302 5.086 -0.291 1.00 14.75 C ATOM 1736 C ALA A 235 0.806 5.485 0.677 1.00 14.10 C ATOM 1737 O ALA A 235 1.151 6.669 0.782 1.00 14.22 O ATOM 1738 CB ALA A 235 -1.657 5.025 0.414 1.00 15.79 C ATOM 1739 H ALA A 235 -0.638 2.995 -0.776 1.00 0.00 H ATOM 1740 N PHE A 236 1.374 4.509 1.392 1.00 13.03 N ATOM 1741 CA PHE A 236 2.527 4.772 2.250 1.00 12.29 C ATOM 1742 C PHE A 236 3.688 5.347 1.444 1.00 12.33 C ATOM 1743 O PHE A 236 4.310 6.336 1.850 1.00 12.96 O ATOM 1744 CB PHE A 236 2.935 3.485 2.973 1.00 11.05 C ATOM 1745 CG PHE A 236 4.306 3.532 3.583 1.00 10.43 C ATOM 1746 CD1 PHE A 236 4.555 4.305 4.709 1.00 10.44 C ATOM 1747 CD2 PHE A 236 5.342 2.791 3.035 1.00 11.21 C ATOM 1748 CE1 PHE A 236 5.821 4.335 5.289 1.00 10.46 C ATOM 1749 CE2 PHE A 236 6.609 2.807 3.605 1.00 12.06 C ATOM 1750 CZ PHE A 236 6.852 3.585 4.736 1.00 10.61 C ATOM 1751 H PHE A 236 0.988 3.545 1.337 1.00 0.00 H ATOM 1752 N GLY A 237 3.994 4.736 0.293 1.00 13.97 N ATOM 1753 CA GLY A 237 5.074 5.245 -0.540 1.00 15.36 C ATOM 1754 C GLY A 237 4.832 6.665 -1.021 1.00 16.03 C ATOM 1755 O GLY A 237 5.744 7.497 -1.016 1.00 16.12 O ATOM 1756 H GLY A 237 3.459 3.896 -0.007 1.00 0.00 H ATOM 1757 N ALA A 238 3.594 6.963 -1.426 1.00 16.26 N ATOM 1758 CA ALA A 238 3.257 8.287 -1.939 1.00 16.63 C ATOM 1759 C ALA A 238 3.295 9.349 -0.851 1.00 17.12 C ATOM 1760 O ALA A 238 3.557 10.524 -1.144 1.00 17.92 O ATOM 1761 CB ALA A 238 1.869 8.250 -2.575 1.00 17.30 C ATOM 1762 H ALA A 238 2.854 6.235 -1.374 1.00 0.00 H ATOM 1763 N ALA A 239 3.018 8.962 0.397 1.00 16.29 N ATOM 1764 CA ALA A 239 3.034 9.916 1.502 1.00 16.03 C ATOM 1765 C ALA A 239 4.447 10.366 1.841 1.00 16.05 C ATOM 1766 O ALA A 239 4.635 11.479 2.349 1.00 17.09 O ATOM 1767 CB ALA A 239 2.380 9.296 2.737 1.00 16.20 C ATOM 1768 H ALA A 239 2.787 7.965 0.585 1.00 0.00 H ATOM 1769 N PHE A 240 5.442 9.519 1.577 1.00 15.16 N ATOM 1770 CA PHE A 240 6.839 9.784 1.926 1.00 15.86 C ATOM 1771 C PHE A 240 7.720 9.617 0.688 1.00 16.08 C ATOM 1772 O PHE A 240 8.585 8.736 0.631 1.00 16.74 O ATOM 1773 CB PHE A 240 7.280 8.866 3.067 1.00 14.76 C ATOM 1774 CG PHE A 240 6.403 8.960 4.287 1.00 14.78 C ATOM 1775 CD1 PHE A 240 6.430 10.095 5.083 1.00 14.62 C ATOM 1776 CD2 PHE A 240 5.558 7.920 4.636 1.00 13.56 C ATOM 1777 CE1 PHE A 240 5.627 10.195 6.205 1.00 14.13 C ATOM 1778 CE2 PHE A 240 4.751 8.006 5.761 1.00 13.15 C ATOM 1779 CZ PHE A 240 4.785 9.145 6.547 1.00 14.16 C ATOM 1780 H PHE A 240 5.214 8.624 1.099 1.00 0.00 H ATOM 1781 N PRO A 241 7.530 10.468 -0.328 1.00 17.76 N ATOM 1782 CA PRO A 241 8.204 10.236 -1.619 1.00 19.93 C ATOM 1783 C PRO A 241 9.715 10.369 -1.578 1.00 23.77 C ATOM 1784 O PRO A 241 10.390 9.770 -2.426 1.00 25.10 O ATOM 1785 CB PRO A 241 7.574 11.286 -2.544 1.00 19.92 C ATOM 1786 CG PRO A 241 7.135 12.379 -1.618 1.00 19.14 C ATOM 1787 CD PRO A 241 6.684 11.673 -0.359 1.00 17.87 C ATOM 1788 N LYS A 242 10.277 11.123 -0.642 1.00 25.95 N ATOM 1789 CA LYS A 242 11.725 11.277 -0.591 1.00 28.65 C ATOM 1790 C LYS A 242 12.411 10.316 0.372 1.00 25.77 C ATOM 1791 O LYS A 242 13.636 10.389 0.525 1.00 27.32 O ATOM 1792 CB LYS A 242 12.104 12.728 -0.274 1.00 33.14 C ATOM 1793 CG LYS A 242 11.515 13.730 -1.256 1.00 37.09 C ATOM 1794 CD LYS A 242 12.328 15.012 -1.321 1.00 40.36 C ATOM 1795 CE LYS A 242 12.836 15.429 0.051 1.00 42.72 C ATOM 1796 NZ LYS A 242 14.206 16.016 -0.035 1.00 43.88 N ATOM 1797 HZ1 LYS A 242 14.860 15.311 -0.431 1.00 0.00 H ATOM 1798 HZ2 LYS A 242 14.185 16.854 -0.650 1.00 0.00 H ATOM 1799 HZ3 LYS A 242 14.525 16.290 0.916 1.00 0.00 H ATOM 1800 H LYS A 242 9.681 11.607 0.059 1.00 0.00 H ATOM 1801 N ALA A 243 11.665 9.408 1.000 1.00 21.05 N ATOM 1802 CA ALA A 243 12.261 8.410 1.880 1.00 18.54 C ATOM 1803 C ALA A 243 12.954 7.349 1.036 1.00 18.90 C ATOM 1804 O ALA A 243 12.300 6.588 0.317 1.00 20.69 O ATOM 1805 CB ALA A 243 11.190 7.781 2.762 1.00 16.52 C ATOM 1806 H ALA A 243 10.635 9.411 0.859 1.00 0.00 H ATOM 1807 N SER A 244 14.281 7.291 1.123 1.00 16.98 N ATOM 1808 CA SER A 244 15.047 6.261 0.436 1.00 17.20 C ATOM 1809 C SER A 244 15.384 5.071 1.324 1.00 15.60 C ATOM 1810 O SER A 244 15.749 4.012 0.800 1.00 16.90 O ATOM 1811 CB SER A 244 16.341 6.850 -0.137 1.00 18.03 C ATOM 1812 OG SER A 244 17.134 7.422 0.884 1.00 19.82 O ATOM 1813 HG SER A 244 17.962 7.794 0.488 1.00 0.00 H ATOM 1814 H SER A 244 14.783 7.999 1.696 1.00 0.00 H ATOM 1815 N MET A 245 15.262 5.206 2.648 1.00 14.11 N ATOM 1816 CA MET A 245 15.485 4.097 3.573 1.00 14.35 C ATOM 1817 C MET A 245 14.146 3.723 4.189 1.00 13.87 C ATOM 1818 O MET A 245 13.566 4.504 4.953 1.00 13.97 O ATOM 1819 CB MET A 245 16.490 4.465 4.661 1.00 15.76 C ATOM 1820 CG MET A 245 16.808 3.300 5.566 1.00 15.86 C ATOM 1821 SD MET A 245 17.755 3.732 7.034 1.00 16.91 S ATOM 1822 CE MET A 245 19.050 4.750 6.338 1.00 19.15 C ATOM 1823 H MET A 245 14.999 6.135 3.034 1.00 0.00 H ATOM 1824 N ILE A 246 13.666 2.525 3.872 1.00 12.00 N ATOM 1825 CA ILE A 246 12.383 2.043 4.358 1.00 10.64 C ATOM 1826 C ILE A 246 12.640 1.061 5.495 1.00 10.72 C ATOM 1827 O ILE A 246 13.272 0.014 5.301 1.00 11.41 O ATOM 1828 CB ILE A 246 11.554 1.420 3.226 1.00 11.47 C ATOM 1829 CG1 ILE A 246 11.447 2.405 2.049 1.00 12.13 C ATOM 1830 CG2 ILE A 246 10.166 1.017 3.738 1.00 12.00 C ATOM 1831 CD1 ILE A 246 10.888 3.787 2.420 1.00 12.30 C ATOM 1832 H ILE A 246 14.230 1.908 3.252 1.00 0.00 H ATOM 1833 N VAL A 247 12.189 1.423 6.690 1.00 9.66 N ATOM 1834 CA VAL A 247 12.343 0.601 7.884 1.00 9.71 C ATOM 1835 C VAL A 247 11.025 -0.128 8.113 1.00 9.47 C ATOM 1836 O VAL A 247 9.950 0.418 7.841 1.00 10.72 O ATOM 1837 CB VAL A 247 12.729 1.490 9.086 1.00 9.56 C ATOM 1838 CG1 VAL A 247 12.950 0.650 10.358 1.00 10.80 C ATOM 1839 CG2 VAL A 247 13.974 2.322 8.743 1.00 10.10 C ATOM 1840 H VAL A 247 11.702 2.338 6.779 1.00 0.00 H ATOM 1841 N MET A 248 11.098 -1.363 8.608 1.00 9.04 N ATOM 1842 CA MET A 248 9.905 -2.194 8.720 1.00 9.13 C ATOM 1843 C MET A 248 10.068 -3.145 9.897 1.00 9.32 C ATOM 1844 O MET A 248 11.138 -3.247 10.491 1.00 9.25 O ATOM 1845 CB MET A 248 9.627 -2.956 7.414 1.00 12.29 C ATOM 1846 CG MET A 248 10.663 -4.005 7.060 1.00 14.26 C ATOM 1847 SD MET A 248 10.844 -4.238 5.268 1.00 17.33 S ATOM 1848 CE MET A 248 11.910 -2.860 4.848 1.00 18.61 C ATOM 1849 H MET A 248 12.017 -1.739 8.918 1.00 0.00 H ATOM 1850 N SER A 249 8.993 -3.868 10.213 1.00 10.23 N ATOM 1851 CA SER A 249 8.963 -4.597 11.478 1.00 9.49 C ATOM 1852 C SER A 249 9.888 -5.815 11.506 1.00 9.83 C ATOM 1853 O SER A 249 10.438 -6.129 12.563 1.00 10.83 O ATOM 1854 CB SER A 249 7.542 -5.030 11.832 1.00 10.06 C ATOM 1855 OG SER A 249 6.775 -3.940 12.321 1.00 10.22 O ATOM 1856 HG SER A 249 5.862 -4.253 12.541 1.00 0.00 H ATOM 1857 H SER A 249 8.182 -3.912 9.563 1.00 0.00 H ATOM 1858 N HIS A 250 10.015 -6.569 10.401 1.00 11.58 N ATOM 1859 CA HIS A 250 10.621 -7.899 10.491 1.00 14.00 C ATOM 1860 C HIS A 250 11.800 -8.124 9.552 1.00 16.98 C ATOM 1861 O HIS A 250 12.230 -9.271 9.385 1.00 21.01 O ATOM 1862 CB HIS A 250 9.574 -9.007 10.317 1.00 14.18 C ATOM 1863 CG HIS A 250 8.406 -8.864 11.238 1.00 12.24 C ATOM 1864 ND1 HIS A 250 8.530 -8.905 12.612 1.00 10.71 N ATOM 1865 CD2 HIS A 250 7.096 -8.641 10.985 1.00 12.47 C ATOM 1866 CE1 HIS A 250 7.345 -8.715 13.164 1.00 10.89 C ATOM 1867 NE2 HIS A 250 6.458 -8.558 12.198 1.00 11.66 N ATOM 1868 H HIS A 250 9.683 -6.209 9.483 1.00 0.00 H ATOM 1869 N SER A 251 12.334 -7.074 8.943 1.00 16.04 N ATOM 1870 CA SER A 251 13.504 -7.179 8.088 1.00 15.97 C ATOM 1871 C SER A 251 14.365 -5.952 8.317 1.00 14.29 C ATOM 1872 O SER A 251 13.894 -4.928 8.819 1.00 14.31 O ATOM 1873 CB SER A 251 13.124 -7.240 6.606 1.00 16.47 C ATOM 1874 OG SER A 251 12.445 -8.444 6.303 1.00 19.58 O ATOM 1875 HG SER A 251 12.212 -8.457 5.341 1.00 0.00 H ATOM 1876 H SER A 251 11.899 -6.140 9.083 1.00 0.00 H ATOM 1877 N ALA A 252 15.638 -6.072 7.948 1.00 14.45 N ATOM 1878 CA ALA A 252 16.540 -4.940 8.004 1.00 14.00 C ATOM 1879 C ALA A 252 16.064 -3.849 7.045 1.00 13.35 C ATOM 1880 O ALA A 252 15.313 -4.120 6.106 1.00 13.67 O ATOM 1881 CB ALA A 252 17.950 -5.395 7.640 1.00 14.75 C ATOM 1882 H ALA A 252 15.990 -6.992 7.615 1.00 0.00 H ATOM 1883 N PRO A 253 16.471 -2.601 7.276 1.00 12.13 N ATOM 1884 CA PRO A 253 16.058 -1.513 6.381 1.00 12.71 C ATOM 1885 C PRO A 253 16.409 -1.817 4.932 1.00 13.38 C ATOM 1886 O PRO A 253 17.405 -2.482 4.633 1.00 14.43 O ATOM 1887 CB PRO A 253 16.843 -0.307 6.909 1.00 12.82 C ATOM 1888 CG PRO A 253 17.015 -0.613 8.371 1.00 12.97 C ATOM 1889 CD PRO A 253 17.224 -2.101 8.440 1.00 12.64 C ATOM 1890 N ASP A 254 15.567 -1.329 4.028 1.00 12.81 N ATOM 1891 CA ASP A 254 15.678 -1.646 2.613 1.00 14.07 C ATOM 1892 C ASP A 254 15.439 -0.384 1.793 1.00 13.37 C ATOM 1893 O ASP A 254 15.100 0.677 2.323 1.00 13.98 O ATOM 1894 CB ASP A 254 14.656 -2.728 2.234 1.00 15.36 C ATOM 1895 CG ASP A 254 15.037 -3.514 0.984 1.00 18.42 C ATOM 1896 OD1 ASP A 254 16.069 -3.220 0.337 1.00 18.87 O ATOM 1897 OD2 ASP A 254 14.275 -4.441 0.650 1.00 20.00 O ATOM 1898 H ASP A 254 14.802 -0.699 4.343 1.00 0.00 H ATOM 1899 N SER A 255 15.640 -0.508 0.482 1.00 13.40 N ATOM 1900 CA SER A 255 15.295 0.545 -0.455 1.00 14.66 C ATOM 1901 C SER A 255 13.786 0.575 -0.687 1.00 13.75 C ATOM 1902 O SER A 255 13.024 -0.235 -0.148 1.00 14.60 O ATOM 1903 CB SER A 255 15.991 0.299 -1.786 1.00 16.17 C ATOM 1904 OG SER A 255 15.315 -0.719 -2.504 1.00 17.47 O ATOM 1905 HG SER A 255 15.320 -1.555 -1.973 1.00 0.00 H ATOM 1906 H SER A 255 16.058 -1.388 0.118 1.00 0.00 H ATOM 1907 N ARG A 256 13.350 1.521 -1.523 1.00 13.85 N ATOM 1908 CA ARG A 256 11.936 1.639 -1.854 1.00 13.25 C ATOM 1909 C ARG A 256 11.407 0.438 -2.624 1.00 15.05 C ATOM 1910 O ARG A 256 10.189 0.321 -2.792 1.00 14.63 O ATOM 1911 CB ARG A 256 11.678 2.928 -2.632 1.00 14.27 C ATOM 1912 CG ARG A 256 11.881 4.176 -1.784 1.00 15.06 C ATOM 1913 CD ARG A 256 11.606 5.431 -2.586 1.00 15.92 C ATOM 1914 NE ARG A 256 10.180 5.658 -2.822 1.00 16.41 N ATOM 1915 CZ ARG A 256 9.344 6.216 -1.949 1.00 16.63 C ATOM 1916 NH1 ARG A 256 9.774 6.596 -0.751 1.00 16.37 N ATOM 1917 NH2 ARG A 256 8.065 6.389 -2.273 1.00 17.38 N ATOM 1918 HE ARG A 256 9.791 5.362 -3.740 1.00 0.00 H ATOM 1919 HH12 ARG A 256 9.114 7.031 -0.075 1.00 0.00 H ATOM 1920 HH11 ARG A 256 10.771 6.458 -0.489 1.00 0.00 H ATOM 1921 HH22 ARG A 256 7.410 6.825 -1.592 1.00 0.00 H ATOM 1922 HH21 ARG A 256 7.720 6.088 -3.207 1.00 0.00 H ATOM 1923 H ARG A 256 14.031 2.184 -1.945 1.00 0.00 H ATOM 1924 N ALA A 257 12.288 -0.451 -3.093 1.00 14.45 N ATOM 1925 CA ALA A 257 11.832 -1.703 -3.677 1.00 15.43 C ATOM 1926 C ALA A 257 11.030 -2.530 -2.683 1.00 14.82 C ATOM 1927 O ALA A 257 10.221 -3.364 -3.097 1.00 15.15 O ATOM 1928 CB ALA A 257 13.018 -2.508 -4.223 1.00 15.37 C ATOM 1929 H ALA A 257 13.306 -0.246 -3.040 1.00 0.00 H ATOM 1930 N ALA A 258 11.230 -2.320 -1.379 1.00 13.58 N ATOM 1931 CA ALA A 258 10.371 -2.976 -0.398 1.00 13.12 C ATOM 1932 C ALA A 258 8.913 -2.590 -0.611 1.00 14.03 C ATOM 1933 O ALA A 258 8.013 -3.430 -0.486 1.00 14.28 O ATOM 1934 CB ALA A 258 10.819 -2.621 1.021 1.00 13.21 C ATOM 1935 H ALA A 258 11.996 -1.691 -1.064 1.00 0.00 H ATOM 1936 N ILE A 259 8.664 -1.323 -0.953 1.00 13.95 N ATOM 1937 CA ILE A 259 7.296 -0.847 -1.130 1.00 13.69 C ATOM 1938 C ILE A 259 6.696 -1.426 -2.402 1.00 13.85 C ATOM 1939 O ILE A 259 5.584 -1.963 -2.393 1.00 13.97 O ATOM 1940 CB ILE A 259 7.251 0.691 -1.164 1.00 14.52 C ATOM 1941 CG1 ILE A 259 7.821 1.305 0.115 1.00 14.52 C ATOM 1942 CG2 ILE A 259 5.821 1.179 -1.389 1.00 16.13 C ATOM 1943 CD1 ILE A 259 7.963 2.818 0.026 1.00 15.78 C ATOM 1944 H ILE A 259 9.457 -0.666 -1.095 1.00 0.00 H ATOM 1945 N THR A 260 7.404 -1.274 -3.529 1.00 14.06 N ATOM 1946 CA THR A 260 6.894 -1.804 -4.791 1.00 13.91 C ATOM 1947 C THR A 260 6.684 -3.313 -4.705 1.00 14.14 C ATOM 1948 O THR A 260 5.676 -3.835 -5.199 1.00 15.17 O ATOM 1949 CB THR A 260 7.813 -1.435 -5.966 1.00 13.81 C ATOM 1950 OG1 THR A 260 9.167 -1.798 -5.672 1.00 15.12 O ATOM 1951 CG2 THR A 260 7.738 0.066 -6.301 1.00 14.66 C ATOM 1952 HG1 THR A 260 9.219 -2.774 -5.515 1.00 0.00 H ATOM 1953 H THR A 260 8.318 -0.778 -3.505 1.00 0.00 H ATOM 1954 N HIS A 261 7.616 -4.031 -4.061 1.00 14.82 N ATOM 1955 CA HIS A 261 7.498 -5.484 -3.974 1.00 15.06 C ATOM 1956 C HIS A 261 6.352 -5.895 -3.056 1.00 14.66 C ATOM 1957 O HIS A 261 5.603 -6.826 -3.371 1.00 16.14 O ATOM 1958 CB HIS A 261 8.819 -6.094 -3.504 1.00 16.49 C ATOM 1959 CG HIS A 261 8.768 -7.577 -3.289 1.00 17.49 C ATOM 1960 ND1 HIS A 261 8.609 -8.476 -4.322 1.00 19.33 N ATOM 1961 CD2 HIS A 261 8.871 -8.317 -2.160 1.00 18.57 C ATOM 1962 CE1 HIS A 261 8.607 -9.704 -3.835 1.00 19.46 C ATOM 1963 NE2 HIS A 261 8.766 -9.636 -2.527 1.00 19.94 N ATOM 1964 H HIS A 261 8.427 -3.551 -3.621 1.00 0.00 H ATOM 1965 N THR A 262 6.205 -5.226 -1.910 1.00 14.33 N ATOM 1966 CA THR A 262 5.068 -5.520 -1.041 1.00 14.51 C ATOM 1967 C THR A 262 3.752 -5.274 -1.765 1.00 14.37 C ATOM 1968 O THR A 262 2.827 -6.092 -1.684 1.00 15.47 O ATOM 1969 CB THR A 262 5.132 -4.659 0.225 1.00 13.42 C ATOM 1970 OG1 THR A 262 6.279 -5.013 1.004 1.00 13.77 O ATOM 1971 CG2 THR A 262 3.885 -4.868 1.073 1.00 13.18 C ATOM 1972 HG1 THR A 262 7.099 -4.865 0.469 1.00 0.00 H ATOM 1973 H THR A 262 6.897 -4.499 -1.637 1.00 0.00 H ATOM 1974 N ALA A 263 3.651 -4.151 -2.483 1.00 14.98 N ATOM 1975 CA ALA A 263 2.413 -3.851 -3.194 1.00 15.37 C ATOM 1976 C ALA A 263 2.154 -4.872 -4.293 1.00 16.06 C ATOM 1977 O ALA A 263 1.014 -5.299 -4.496 1.00 17.46 O ATOM 1978 CB ALA A 263 2.452 -2.433 -3.767 1.00 16.08 C ATOM 1979 H ALA A 263 4.454 -3.492 -2.535 1.00 0.00 H ATOM 1980 N ARG A 264 3.205 -5.282 -5.008 1.00 16.48 N ATOM 1981 CA ARG A 264 3.026 -6.252 -6.082 1.00 17.69 C ATOM 1982 C ARG A 264 2.584 -7.609 -5.537 1.00 19.91 C ATOM 1983 O ARG A 264 1.751 -8.285 -6.150 1.00 22.33 O ATOM 1984 CB ARG A 264 4.305 -6.360 -6.915 1.00 18.49 C ATOM 1985 CG ARG A 264 4.097 -6.910 -8.306 1.00 19.61 C ATOM 1986 CD ARG A 264 3.391 -5.924 -9.220 1.00 19.09 C ATOM 1987 NE ARG A 264 3.209 -6.498 -10.549 1.00 20.20 N ATOM 1988 CZ ARG A 264 2.033 -6.670 -11.146 1.00 21.97 C ATOM 1989 NH1 ARG A 264 0.911 -6.302 -10.541 1.00 22.44 N ATOM 1990 NH2 ARG A 264 1.982 -7.202 -12.359 1.00 23.06 N ATOM 1991 HE ARG A 264 4.061 -6.794 -11.067 1.00 0.00 H ATOM 1992 HH12 ARG A 264 -0.005 -6.440 -11.015 1.00 0.00 H ATOM 1993 HH11 ARG A 264 0.947 -5.876 -9.593 1.00 0.00 H ATOM 1994 HH22 ARG A 264 1.064 -7.338 -12.829 1.00 0.00 H ATOM 1995 HH21 ARG A 264 2.860 -7.483 -12.841 1.00 0.00 H ATOM 1996 H ARG A 264 4.153 -4.909 -4.798 1.00 0.00 H ATOM 1997 N MET A 265 3.111 -8.010 -4.373 1.00 20.83 N ATOM 1998 CA MET A 265 2.641 -9.231 -3.716 1.00 21.70 C ATOM 1999 C MET A 265 1.197 -9.087 -3.256 1.00 21.84 C ATOM 2000 O MET A 265 0.409 -10.037 -3.341 1.00 23.57 O ATOM 2001 CB MET A 265 3.525 -9.560 -2.511 1.00 23.43 C ATOM 2002 CG MET A 265 4.814 -10.284 -2.840 1.00 25.25 C ATOM 2003 SD MET A 265 5.522 -11.136 -1.408 1.00 27.87 S ATOM 2004 CE MET A 265 5.699 -9.792 -0.239 1.00 27.87 C ATOM 2005 H MET A 265 3.864 -7.446 -3.930 1.00 0.00 H ATOM 2006 N ALA A 266 0.842 -7.914 -2.729 1.00 21.42 N ATOM 2007 CA ALA A 266 -0.523 -7.682 -2.277 1.00 20.40 C ATOM 2008 C ALA A 266 -1.516 -7.633 -3.429 1.00 22.15 C ATOM 2009 O ALA A 266 -2.704 -7.895 -3.211 1.00 22.77 O ATOM 2010 CB ALA A 266 -0.584 -6.404 -1.436 1.00 20.08 C ATOM 2011 H ALA A 266 1.548 -7.156 -2.640 1.00 0.00 H ATOM 2012 N ASP A 267 -1.062 -7.312 -4.647 1.00 23.64 N ATOM 2013 CA ASP A 267 -1.941 -7.430 -5.807 1.00 25.84 C ATOM 2014 C ASP A 267 -2.490 -8.847 -5.943 1.00 28.86 C ATOM 2015 O ASP A 267 -3.629 -9.027 -6.383 1.00 28.81 O ATOM 2016 CB ASP A 267 -1.208 -7.028 -7.096 1.00 25.75 C ATOM 2017 CG ASP A 267 -0.953 -5.525 -7.206 1.00 25.41 C ATOM 2018 OD1 ASP A 267 -1.715 -4.721 -6.622 1.00 25.91 O ATOM 2019 OD2 ASP A 267 0.027 -5.147 -7.894 1.00 24.86 O ATOM 2020 H ASP A 267 -0.084 -6.979 -4.767 1.00 0.00 H ATOM 2021 N LYS A 268 -1.709 -9.862 -5.550 1.00 31.99 N ATOM 2022 CA LYS A 268 -2.140 -11.251 -5.703 1.00 35.78 C ATOM 2023 C LYS A 268 -3.264 -11.624 -4.749 1.00 36.69 C ATOM 2024 O LYS A 268 -3.986 -12.592 -5.012 1.00 37.69 O ATOM 2025 CB LYS A 268 -0.968 -12.213 -5.488 1.00 38.70 C ATOM 2026 CG LYS A 268 0.132 -12.134 -6.533 1.00 40.93 C ATOM 2027 CD LYS A 268 1.500 -12.180 -5.866 1.00 42.99 C ATOM 2028 CE LYS A 268 2.610 -12.456 -6.865 1.00 44.09 C ATOM 2029 NZ LYS A 268 3.906 -12.787 -6.192 1.00 44.33 N ATOM 2030 HZ1 LYS A 268 4.199 -11.988 -5.595 1.00 0.00 H ATOM 2031 HZ2 LYS A 268 3.782 -13.635 -5.603 1.00 0.00 H ATOM 2032 HZ3 LYS A 268 4.633 -12.968 -6.913 1.00 0.00 H ATOM 2033 H LYS A 268 -0.780 -9.659 -5.129 1.00 0.00 H ATOM 2034 N LEU A 269 -3.426 -10.887 -3.648 1.00 36.92 N ATOM 2035 CA LEU A 269 -4.484 -11.182 -2.689 1.00 36.95 C ATOM 2036 C LEU A 269 -5.866 -10.826 -3.210 1.00 38.78 C ATOM 2037 O LEU A 269 -6.858 -11.227 -2.595 1.00 39.38 O ATOM 2038 CB LEU A 269 -4.253 -10.410 -1.388 1.00 35.46 C ATOM 2039 CG LEU A 269 -3.071 -10.786 -0.492 1.00 35.28 C ATOM 2040 CD1 LEU A 269 -3.071 -9.923 0.760 1.00 35.13 C ATOM 2041 CD2 LEU A 269 -3.116 -12.264 -0.131 1.00 35.67 C ATOM 2042 H LEU A 269 -2.785 -10.087 -3.471 1.00 0.00 H ATOM 2043 N ARG A 270 -5.958 -10.079 -4.303 1.00 39.70 N ATOM 2044 CA ARG A 270 -7.248 -9.631 -4.808 1.00 40.22 C ATOM 2045 C ARG A 270 -7.793 -10.580 -5.869 1.00 40.61 C ATOM 2046 O ARG A 270 -7.111 -11.514 -6.296 1.00 40.51 O ATOM 2047 CB ARG A 270 -7.139 -8.209 -5.356 1.00 40.86 C ATOM 2048 CG ARG A 270 -6.810 -7.177 -4.287 1.00 41.50 C ATOM 2049 CD ARG A 270 -6.254 -5.894 -4.887 1.00 43.03 C ATOM 2050 NE ARG A 270 -7.108 -5.364 -5.946 1.00 44.97 N ATOM 2051 CZ ARG A 270 -8.290 -4.788 -5.743 1.00 46.10 C ATOM 2052 NH1 ARG A 270 -8.772 -4.654 -4.513 1.00 46.74 N ATOM 2053 NH2 ARG A 270 -8.991 -4.338 -6.774 1.00 46.26 N ATOM 2054 OXT ARG A 270 -8.931 -10.440 -6.313 1.00 41.27 O ATOM 2055 HE ARG A 270 -6.769 -5.442 -6.926 1.00 0.00 H ATOM 2056 HH12 ARG A 270 -9.697 -4.203 -4.363 1.00 0.00 H ATOM 2057 HH11 ARG A 270 -8.225 -5.001 -3.699 1.00 0.00 H ATOM 2058 HH22 ARG A 270 -9.915 -3.887 -6.617 1.00 0.00 H ATOM 2059 HH21 ARG A 270 -8.617 -4.435 -7.739 1.00 0.00 H ATOM 2060 H ARG A 270 -5.091 -9.808 -4.809 1.00 0.00 H TER 2061 ARG A 270 HETATM 2062 ZN ZN A 1 0.697 -7.054 13.419 1.00 10.81 ZN HETATM 2063 ZN ZN A 2 4.564 -8.055 12.282 1.00 13.07 ZN HETATM 2064 O HOH 3 21.028 2.517 31.698 1.00 51.52 O HETATM 2065 O HOH 4 11.523 -16.904 12.304 1.00 28.72 O HETATM 2066 O HOH 5 16.599 3.067 32.648 1.00 25.09 O HETATM 2067 O HOH 6 24.838 1.107 15.520 1.00 31.10 O HETATM 2068 O HOH 7 14.254 0.864 32.377 1.00 21.29 O HETATM 2069 O HOH 8 0.137 11.084 29.141 1.00 42.49 O HETATM 2070 O HOH 9 12.327 19.759 16.763 1.00 37.81 O HETATM 2071 O HOH 10 2.264 17.326 24.550 1.00 23.52 O HETATM 2072 O HOH 11 -6.194 18.048 10.002 1.00 51.65 O HETATM 2073 O HOH 12 -0.494 0.843 32.063 1.00 20.83 O HETATM 2074 O HOH 13 -9.007 -10.114 -1.009 1.00 36.18 O HETATM 2075 O HOH 14 28.366 -5.911 16.727 1.00 31.07 O HETATM 2076 O HOH 15 19.270 2.580 33.538 1.00 53.84 O HETATM 2077 O HOH 16 -1.192 14.685 24.472 1.00 21.57 O HETATM 2078 O HOH 17 -8.689 -9.252 15.998 1.00 49.49 O HETATM 2079 O HOH 18 13.858 -15.681 13.236 1.00 17.45 O HETATM 2080 O HOH 19 20.704 7.056 4.503 1.00 39.71 O HETATM 2081 O HOH 20 -4.107 -3.809 -7.144 1.00 36.45 O HETATM 2082 O HOH 21 12.376 -20.043 19.409 1.00 27.37 O HETATM 2083 O HOH 22 -2.866 -15.309 12.406 1.00 36.53 O HETATM 2084 O HOH 23 15.456 15.088 11.774 1.00 41.60 O HETATM 2085 O HOH 24 -5.845 -10.823 16.702 1.00 14.33 O HETATM 2086 O HOH 25 -9.699 0.754 24.996 1.00 23.18 O HETATM 2087 O HOH 26 -7.492 -5.375 11.656 1.00 22.02 O HETATM 2088 O HOH 27 24.201 1.580 18.630 1.00 48.72 O HETATM 2089 O HOH 28 0.322 -4.058 26.173 1.00 11.20 O HETATM 2090 O HOH 29 3.146 15.030 23.298 1.00 15.36 O HETATM 2091 O HOH 30 6.880 -11.869 5.245 1.00 44.14 O HETATM 2092 O HOH 31 -8.939 6.063 13.836 1.00 29.11 O HETATM 2093 O HOH 32 0.914 -8.422 6.718 1.00 24.57 O HETATM 2094 O HOH 33 17.661 9.450 33.966 1.00 45.81 O HETATM 2095 O HOH 34 23.368 7.747 31.551 1.00 34.30 O HETATM 2096 O HOH 35 15.791 -5.931 4.192 1.00 22.15 O HETATM 2097 O HOH 36 10.072 8.807 -4.905 1.00 37.61 O HETATM 2098 O HOH 37 -8.607 -5.844 8.541 1.00 32.30 O HETATM 2099 O HOH 38 8.570 11.526 29.837 1.00 19.36 O HETATM 2100 O HOH 39 5.238 16.590 14.055 1.00 33.17 O HETATM 2101 O HOH 40 14.093 -11.011 25.428 1.00 22.77 O HETATM 2102 O HOH 41 1.368 -5.549 30.393 1.00 28.38 O HETATM 2103 O HOH 42 18.234 -3.002 15.243 1.00 10.28 O HETATM 2104 O HOH 43 -14.673 -5.847 20.643 1.00 28.08 O HETATM 2105 O HOH 44 -6.790 5.576 25.609 1.00 34.77 O HETATM 2106 O HOH 45 -3.974 12.712 21.337 1.00 21.40 O HETATM 2107 O HOH 46 -6.632 -12.745 5.845 1.00 32.35 O HETATM 2108 O HOH 47 -13.027 -0.615 -1.574 1.00 56.58 O HETATM 2109 O HOH 48 -10.550 -2.715 7.032 1.00 35.02 O HETATM 2110 O HOH 49 9.751 -8.148 6.129 1.00 23.74 O HETATM 2111 O HOH 50 25.980 -2.954 24.216 1.00 36.32 O HETATM 2112 O HOH 51 13.870 -2.212 9.026 1.00 10.39 O HETATM 2113 O HOH 52 -0.376 15.813 9.987 1.00 30.86 O HETATM 2114 O HOH 53 19.837 -2.646 5.852 1.00 28.99 O HETATM 2115 O HOH 54 22.617 15.774 15.141 1.00 20.55 O HETATM 2116 O HOH 55 -5.332 3.860 0.859 1.00 27.34 O HETATM 2117 O HOH 56 8.862 -3.734 17.747 1.00 8.95 O HETATM 2118 O HOH 57 5.514 -7.357 -11.734 1.00 48.39 O HETATM 2119 O HOH 58 -4.069 2.637 29.221 1.00 22.99 O HETATM 2120 O HOH 59 2.833 13.825 12.874 1.00 17.95 O HETATM 2121 O HOH 60 -7.972 8.393 7.252 1.00 28.11 O HETATM 2122 O HOH 61 15.608 17.376 15.756 1.00 14.45 O HETATM 2123 O HOH 62 -0.021 -6.758 26.608 1.00 16.83 O HETATM 2124 O HOH 63 11.461 -4.159 19.062 1.00 7.93 O HETATM 2125 O HOH 64 -11.083 -4.254 22.534 1.00 12.22 O HETATM 2126 O HOH 65 2.890 7.746 31.448 1.00 23.49 O HETATM 2127 O HOH 66 17.029 8.551 29.187 1.00 13.14 O HETATM 2128 O HOH 67 -1.666 2.970 16.180 1.00 8.04 O HETATM 2129 O HOH 68 2.804 -1.502 12.187 1.00 9.02 O HETATM 2130 O HOH 69 -10.675 14.987 6.581 1.00 35.24 O HETATM 2131 O HOH 70 6.540 11.877 33.369 1.00 34.88 O HETATM 2132 O HOH 71 -4.497 -5.955 -1.950 1.00 21.36 O HETATM 2133 O HOH 72 16.655 17.868 28.003 1.00 27.81 O HETATM 2134 O HOH 73 -5.751 12.814 25.020 1.00 38.39 O HETATM 2135 O HOH 74 -0.328 -9.858 18.976 1.00 15.72 O HETATM 2136 O HOH 75 27.294 -6.507 23.586 1.00 26.80 O HETATM 2137 O HOH 76 2.143 -0.114 9.941 1.00 9.24 O HETATM 2138 O HOH 77 -13.458 -2.993 19.550 1.00 33.47 O HETATM 2139 O HOH 78 10.770 -10.649 27.880 1.00 15.83 O HETATM 2140 O HOH 79 -7.422 7.978 24.251 1.00 32.15 O HETATM 2141 O HOH 80 10.375 -4.020 -6.810 1.00 32.44 O HETATM 2142 O HOH 81 9.906 -14.230 3.266 1.00 45.24 O HETATM 2143 O HOH 82 17.586 -8.037 27.618 1.00 27.81 O HETATM 2144 O HOH 83 6.301 13.347 3.553 1.00 41.08 O HETATM 2145 O HOH 84 26.454 6.096 29.788 1.00 48.43 O HETATM 2146 O HOH 85 18.118 9.886 0.057 1.00 43.76 O HETATM 2147 O HOH 86 3.866 11.320 -3.790 1.00 36.98 O HETATM 2148 O HOH 87 6.177 11.996 28.676 1.00 20.36 O HETATM 2149 O HOH 88 14.639 -9.481 22.692 1.00 13.15 O HETATM 2150 O HOH 89 -7.874 12.242 20.605 1.00 27.28 O HETATM 2151 O HOH 90 -2.934 19.610 20.892 1.00 12.85 O HETATM 2152 O HOH 91 25.957 -10.267 23.323 1.00 24.30 O HETATM 2153 O HOH 92 11.768 -13.517 24.162 1.00 15.47 O HETATM 2154 O HOH 93 -2.862 3.930 -3.206 1.00 21.36 O HETATM 2155 O HOH 94 0.981 -15.139 4.407 1.00 37.61 O HETATM 2156 O HOH 95 -6.334 -3.506 28.266 1.00 22.28 O HETATM 2157 O HOH 96 9.943 0.797 32.312 1.00 16.86 O HETATM 2158 O HOH 97 -6.754 -7.914 27.718 1.00 41.59 O HETATM 2159 O HOH 98 6.625 -17.123 23.400 1.00 30.72 O HETATM 2160 O HOH 99 4.369 -2.407 -7.249 1.00 17.16 O HETATM 2161 O HOH 100 13.988 -5.368 31.861 1.00 23.54 O HETATM 2162 O HOH 101 24.816 1.275 11.860 1.00 41.94 O HETATM 2163 O HOH 102 15.450 6.267 29.502 1.00 13.92 O HETATM 2164 O HOH 103 18.364 9.959 31.113 1.00 29.85 O HETATM 2165 O HOH 104 15.428 3.636 -1.994 1.00 19.95 O HETATM 2166 O HOH 105 14.321 19.452 21.864 1.00 14.03 O HETATM 2167 O HOH 106 -10.229 4.854 21.072 1.00 32.94 O HETATM 2168 O HOH 107 9.246 5.529 37.169 1.00 42.11 O HETATM 2169 O HOH 108 -0.648 8.733 -0.002 1.00 27.05 O HETATM 2170 O HOH 109 -8.988 -10.347 8.488 1.00 45.20 O HETATM 2171 O HOH 110 21.337 9.807 36.333 1.00 57.60 O HETATM 2172 O HOH 111 -2.768 -9.411 10.505 1.00 14.22 O HETATM 2173 O HOH 112 21.333 -9.146 21.727 1.00 14.99 O HETATM 2174 O HOH 113 15.337 14.682 15.043 1.00 22.30 O HETATM 2175 O HOH 114 1.665 -9.685 -8.646 1.00 38.81 O HETATM 2176 O HOH 115 -11.220 10.752 8.530 1.00 40.10 O HETATM 2177 O HOH 116 -7.735 3.217 11.493 1.00 22.11 O HETATM 2178 O HOH 117 -6.510 1.441 1.064 1.00 25.99 O HETATM 2179 O HOH 118 8.443 -7.685 -7.074 1.00 34.51 O HETATM 2180 O HOH 119 9.759 9.785 31.662 1.00 17.90 O HETATM 2181 O HOH 120 15.807 -6.740 12.220 1.00 25.28 O HETATM 2182 O HOH 121 8.514 -6.570 7.946 1.00 19.63 O HETATM 2183 O HOH 122 18.051 -4.779 3.024 1.00 40.82 O HETATM 2184 O HOH 123 -5.856 18.835 14.195 1.00 18.21 O HETATM 2185 O HOH 124 0.081 13.680 28.450 1.00 42.34 O HETATM 2186 O HOH 125 3.963 14.002 1.125 1.00 49.67 O HETATM 2187 O HOH 126 4.914 -8.046 28.753 1.00 21.86 O HETATM 2188 O HOH 127 18.458 17.308 8.417 1.00 52.76 O HETATM 2189 O HOH 128 7.896 -8.719 30.447 1.00 15.71 O HETATM 2190 O HOH 129 16.741 -3.237 -2.643 1.00 44.65 O HETATM 2191 O HOH 130 22.614 4.250 7.727 1.00 41.64 O HETATM 2192 O HOH 131 -5.728 -2.579 -2.922 1.00 23.97 O HETATM 2193 O HOH 132 -1.758 -15.533 7.885 1.00 27.75 O HETATM 2194 O HOH 133 22.554 1.639 9.336 1.00 45.69 O HETATM 2195 O HOH 134 3.451 4.782 -4.364 1.00 38.15 O HETATM 2196 O HOH 135 -9.259 8.687 12.532 1.00 22.75 O HETATM 2197 O HOH 136 -5.746 -5.537 -8.513 1.00 48.42 O HETATM 2198 O HOH 137 11.447 6.952 33.953 1.00 20.09 O HETATM 2199 O HOH 138 19.076 12.110 12.074 1.00 25.08 O HETATM 2200 O HOH 139 1.272 -13.763 1.846 1.00 34.53 O HETATM 2201 O HOH 140 -3.354 -11.986 13.889 1.00 28.31 O HETATM 2202 O HOH 141 -0.352 -3.160 -10.009 1.00 35.08 O HETATM 2203 O HOH 142 6.535 -6.121 8.382 1.00 39.05 O HETATM 2204 O HOH 143 9.095 12.194 1.820 1.00 32.93 O HETATM 2205 O HOH 144 22.852 12.692 17.908 1.00 32.11 O HETATM 2206 O HOH 145 -7.021 11.009 23.208 1.00 28.28 O HETATM 2207 O HOH 146 6.492 19.393 17.768 1.00 23.51 O HETATM 2208 O HOH 147 25.693 -8.346 16.597 1.00 43.83 O HETATM 2209 O HOH 148 16.506 -8.743 7.086 1.00 26.45 O HETATM 2210 O HOH 149 -2.992 -0.105 -5.905 1.00 30.43 O HETATM 2211 O HOH 150 18.982 -3.417 0.679 1.00 51.47 O HETATM 2212 O HOH 151 15.119 0.616 -5.116 1.00 26.90 O HETATM 2213 O HOH 152 4.074 0.237 -6.530 1.00 26.25 O HETATM 2214 O HOH 153 -1.285 5.573 32.411 1.00 54.01 O HETATM 2215 O HOH 154 20.495 8.108 7.138 1.00 31.17 O HETATM 2216 O HOH 155 13.168 -12.911 12.655 1.00 24.84 O HETATM 2217 O HOH 156 8.857 -4.786 33.366 1.00 40.84 O HETATM 2218 O HOH 157 19.130 5.438 1.785 1.00 39.63 O HETATM 2219 O HOH 158 1.979 -3.831 28.390 1.00 11.42 O HETATM 2220 O HOH 159 20.814 -0.487 8.003 1.00 33.36 O HETATM 2221 O HOH 160 10.780 -15.908 23.575 1.00 24.42 O HETATM 2222 O HOH 161 1.897 6.702 33.849 1.00 49.46 O HETATM 2223 O HOH 162 -10.000 14.014 17.298 1.00 22.78 O HETATM 2224 O HOH 163 9.550 -21.944 17.258 1.00 40.10 O HETATM 2225 O HOH 164 -6.210 -0.644 28.296 1.00 15.34 O HETATM 2226 O HOH 165 12.249 9.327 30.232 1.00 13.82 O HETATM 2227 O HOH 166 -10.321 2.553 7.234 1.00 45.78 O HETATM 2228 O HOH 167 24.785 -6.804 26.665 1.00 39.54 O HETATM 2229 O HOH 168 19.275 14.276 31.014 1.00 44.52 O HETATM 2230 O HOH 169 18.896 10.454 6.802 1.00 27.43 O HETATM 2231 O HOH 170 0.248 -16.772 12.858 1.00 53.22 O HETATM 2232 O HOH 171 1.948 16.221 14.640 1.00 36.29 O HETATM 2233 O HOH 172 3.208 -13.678 24.522 1.00 35.47 O HETATM 2234 O HOH 173 8.833 17.442 24.996 1.00 29.56 O HETATM 2235 O HOH 174 4.561 -13.660 -8.990 1.00 29.00 O HETATM 2236 O HOH 175 18.244 -5.023 11.164 1.00 26.86 O HETATM 2237 O HOH 176 3.911 18.284 16.569 1.00 25.73 O HETATM 2238 O HOH 177 5.661 18.920 14.684 1.00 60.16 O HETATM 2239 O HOH 178 11.326 11.035 5.506 1.00 35.21 O HETATM 2240 O HOH 179 29.665 -9.836 16.474 1.00 42.31 O HETATM 2241 O HOH 180 6.465 -10.279 7.962 1.00 45.45 O HETATM 2242 O HOH 181 25.340 10.359 16.263 1.00 44.82 O HETATM 2243 O HOH 182 14.331 -10.584 7.413 1.00 47.33 O HETATM 2244 O HOH 183 5.014 -12.786 25.847 1.00 31.01 O HETATM 2245 O HOH 184 -11.906 3.943 16.974 1.00 42.68 O HETATM 2246 O HOH 185 -10.705 -7.646 2.305 1.00 38.80 O HETATM 2247 O HOH 186 -9.825 -9.016 4.372 1.00 35.10 O HETATM 2248 O HOH 187 19.704 -4.775 13.537 1.00 25.87 O HETATM 2249 O HOH 188 24.932 4.397 18.946 1.00 37.11 O HETATM 2250 O HOH 189 10.650 -11.781 8.208 1.00 47.40 O HETATM 2251 O HOH 190 -6.815 7.549 28.599 1.00 51.64 O HETATM 2252 O HOH 191 -8.342 15.276 4.114 1.00 42.17 O HETATM 2253 O HOH 192 1.496 18.868 15.941 1.00 35.50 O HETATM 2254 O HOH 193 15.950 -4.786 -4.408 1.00 53.44 O HETATM 2255 O HOH 194 1.643 -12.474 19.744 1.00 43.69 O HETATM 2256 O HOH 195 17.004 12.106 31.223 1.00 45.26 O HETATM 2257 O HOH 196 24.575 5.306 10.798 1.00 36.27 O HETATM 2258 O HOH 197 4.914 -7.545 33.354 1.00 43.95 O HETATM 2259 O HOH 198 -8.506 18.229 7.916 1.00 47.03 O HETATM 2260 O HOH 199 26.280 -2.070 26.619 1.00 37.42 O HETATM 2261 O HOH 200 21.163 -5.181 6.526 1.00 45.96 O HETATM 2262 O HOH 201 18.242 2.115 1.795 1.00 44.54 O HETATM 2263 O HOH 202 3.054 -16.882 5.545 1.00 55.64 O HETATM 2264 O HOH 203 9.165 -11.251 29.987 1.00 31.77 O HETATM 2265 O HOH 204 5.539 15.159 24.793 1.00 26.88 O HETATM 2266 O HOH 205 2.366 14.582 10.477 1.00 48.45 O HETATM 2267 O HOH 206 -12.156 -0.675 24.520 1.00 35.23 O HETATM 2268 O HOH 207 14.426 -0.926 34.107 1.00 52.07 O HETATM 2269 O HOH 208 25.486 8.488 29.947 1.00 45.09 O HETATM 2270 O HOH 209 28.743 2.470 23.172 1.00 52.51 O HETATM 2271 O HOH 210 -10.535 -6.888 7.434 1.00 51.00 O HETATM 2272 O HOH 211 24.495 7.850 11.202 1.00 37.90 O HETATM 2273 O HOH 212 6.751 17.133 10.915 1.00 49.69 O HETATM 2274 O HOH 213 7.396 7.692 36.349 1.00 30.19 O HETATM 2275 O HOH 214 16.912 13.755 3.582 1.00 49.70 O HETATM 2276 O HOH 215 11.864 -6.405 -5.793 1.00 48.07 O HETATM 2277 O HOH 216 2.057 -8.343 25.814 1.00 32.97 O HETATM 2278 O HOH 217 -5.909 20.207 10.510 1.00 38.09 O HETATM 2279 O HOH 218 8.109 -5.057 -7.392 1.00 33.54 O HETATM 2280 O HOH 219 19.537 12.415 8.862 1.00 30.10 O HETATM 2281 O HOH 220 7.155 -14.355 6.761 1.00 53.49 O HETATM 2282 O HOH 221 -3.232 -11.272 17.640 1.00 21.69 O HETATM 2283 O HOH 222 -4.041 -16.280 9.658 1.00 41.44 O HETATM 2284 O HOH 223 19.758 -7.602 13.794 1.00 41.51 O HETATM 2285 O HOH 224 -0.662 9.925 32.981 1.00 55.18 O HETATM 2286 O HOH 225 28.315 -2.008 22.482 1.00 52.19 O HETATM 2287 O HOH 226 -1.062 5.790 -3.780 1.00 29.71 O HETATM 2288 O HOH 227 2.160 1.160 -9.579 1.00 28.63 O HETATM 2289 O HOH 228 -10.728 1.972 -0.630 1.00 54.52 O HETATM 2290 O HOH 229 5.606 -9.638 -6.781 1.00 45.16 O HETATM 2291 O HOH 230 22.244 4.258 34.684 1.00 47.88 O HETATM 2292 O HOH 231 4.232 -10.530 -9.027 1.00 41.23 O HETATM 2293 O HOH 232 22.061 -4.693 29.490 1.00 53.45 O HETATM 2294 O HOH 233 4.786 7.438 -4.849 1.00 39.72 O HETATM 2295 O HOH 234 3.528 -15.500 9.736 1.00 45.71 O HETATM 2296 O HOH 235 18.902 -9.948 29.054 1.00 44.56 O HETATM 2297 O HOH 236 19.740 11.729 4.500 1.00 47.79 O HETATM 2298 O HOH 237 28.084 3.625 20.684 1.00 59.72 O HETATM 2299 O HOH 238 -11.726 -7.114 26.229 1.00 45.86 O HETATM 2300 O HOH 239 2.347 11.072 30.903 1.00 56.17 O HETATM 2301 O HOH 240 -7.958 -0.986 -2.796 1.00 25.66 O HETATM 2302 O HOH 241 -6.971 17.445 5.386 1.00 37.57 O HETATM 2303 O HOH 242 -7.876 5.347 10.881 1.00 41.73 O HETATM 2304 O HOH 243 15.850 7.375 34.223 1.00 35.82 O HETATM 2305 O HOH 244 0.081 -0.453 -10.128 1.00 22.69 O HETATM 2306 O HOH 245 19.138 -0.351 35.160 1.00 56.49 O HETATM 2307 O HOH 246 -0.662 -9.692 -9.881 1.00 40.91 O HETATM 2308 O HOH 247 27.458 -8.140 15.023 1.00 51.33 O HETATM 2309 O HOH 248 -5.048 -1.989 -5.488 1.00 29.32 O HETATM 2310 O HOH 249 14.828 -8.098 27.993 1.00 31.32 O HETATM 2311 O HOH 250 16.978 -7.849 32.091 1.00 55.27 O HETATM 2312 O HOH 251 26.327 9.655 12.934 1.00 49.15 O HETATM 2313 O HOH 252 21.368 -9.526 14.808 1.00 29.19 O HETATM 2314 O HOH 253 0.769 -13.258 -1.172 1.00 45.19 O HETATM 2315 O HOH 254 10.154 -12.917 26.392 1.00 16.60 O HETATM 2316 O HOH 255 12.560 -4.662 34.032 1.00 41.73 O HETATM 2317 O HOH 256 -12.771 -4.963 24.614 1.00 25.88 O HETATM 2318 O HOH 257 -3.092 4.855 30.508 1.00 48.23 O HETATM 2319 O HOH 258 -7.397 -0.803 -6.143 1.00 45.15 O HETATM 2320 O HOH 259 15.462 5.545 32.187 1.00 17.40 O HETATM 2321 O HOH 260 -9.527 7.497 9.923 1.00 41.80 O HETATM 2322 O HOH 261 21.222 -11.386 27.925 1.00 40.39 O HETATM 2323 O HOH 262 16.218 -9.211 11.999 1.00 35.83 O HETATM 2324 O HOH 263 -5.058 4.941 -1.604 1.00 34.97 O HETATM 2325 O HOH 264 19.201 -1.899 -2.556 1.00 43.34 O HETATM 2326 O HOH 265 10.615 15.338 27.624 1.00 39.51 O HETATM 2327 O HOH 266 16.470 9.967 31.653 1.00 44.42 O HETATM 2328 O HOH 267 0.591 -17.132 8.980 1.00 54.92 O HETATM 2329 O HOH 268 -2.199 0.892 -9.069 1.00 38.84 O HETATM 2330 O HOH 269 16.924 -13.195 28.171 1.00 48.09 O HETATM 2331 O HOH 270 13.423 -10.381 27.922 1.00 25.59 O HETATM 2332 O HOH 271 -11.074 0.351 9.279 1.00 51.60 O HETATM 2333 O HOH 272 -6.259 4.124 29.142 1.00 55.12 O HETATM 2334 O HOH 273 8.994 -10.785 6.162 1.00 30.87 O HETATM 2335 O HOH 274 12.355 17.341 27.865 1.00 39.88 O HETATM 2336 O HOH 275 -8.794 4.104 4.503 1.00 45.44 O HETATM 2337 O HOH 276 -6.338 -15.911 8.644 1.00 58.01 O HETATM 2338 O HOH 277 12.588 -2.853 -7.937 1.00 31.48 O HETATM 2339 O HOH 278 25.004 9.002 9.133 1.00 60.20 O HETATM 2340 O HOH 279 17.021 18.597 6.054 1.00 47.78 O HETATM 2341 O HOH 280 7.793 -12.562 10.416 1.00 42.61 O HETATM 2342 O HOH 281 -0.074 4.424 34.157 1.00 48.34 O HETATM 2343 O HOH 282 14.166 18.828 28.975 1.00 47.78 O HETATM 2344 O HOH 283 13.619 -18.642 20.952 1.00 35.51 O HETATM 2345 O HOH 284 9.611 14.150 30.191 1.00 36.78 O HETATM 2346 O HOH 285 22.589 9.763 7.544 1.00 45.44 O HETATM 2347 O HOH 286 -4.844 -14.257 14.081 1.00 37.63 O HETATM 2348 O HOH 287 1.719 14.685 28.085 1.00 47.88 O HETATM 2349 O HOH 288 -10.608 3.317 25.184 1.00 47.81 O HETATM 2350 O HOH 289 23.454 5.426 33.182 1.00 48.25 O HETATM 2351 O HOH 290 16.266 -14.038 -1.140 1.00 48.60 O HETATM 2352 O HOH 291 -8.685 4.357 24.974 1.00 39.35 O HETATM 2353 O HOH 292 -3.433 2.429 -5.452 1.00 29.96 O HETATM 2354 O HOH 293 1.431 16.890 26.705 1.00 39.69 O HETATM 2355 O HOH 294 11.474 5.333 36.380 1.00 41.03 O HETATM 2356 O HOH 295 13.909 10.573 32.036 1.00 22.03 O HETATM 2357 O HOH 296 11.260 2.378 35.555 1.00 46.95 O HETATM 2358 O HOH 297 12.758 6.662 29.918 1.00 13.75 O HETATM 2359 O HOH 298 -8.054 1.370 -1.267 1.00 30.64 O HETATM 2360 O HOH 299 -2.016 8.084 -2.386 1.00 37.81 O HETATM 2361 O HOH 300 -11.700 9.672 13.499 1.00 45.27 O HETATM 2362 O HOH 301 12.744 5.073 32.307 1.00 19.88 O HETATM 2363 O HOH 302 -8.620 0.480 27.580 1.00 20.27 O HETATM 2364 O HOH 303 18.281 16.808 29.963 1.00 42.82 O HETATM 2365 O HOH 304 -8.664 11.197 25.385 1.00 54.50 O HETATM 2366 O HOH 305 -8.634 7.429 28.942 1.00 47.84 O HETATM 2367 O HOH 306 14.885 -1.280 -7.251 1.00 25.19 O HETATM 2368 O HOH 307 12.008 2.441 32.951 1.00 17.94 O HETATM 2369 O HOH 308 24.964 15.190 13.288 1.00 32.26 O HETATM 2370 O HOH 309 22.854 -10.264 16.911 1.00 27.15 O HETATM 2371 O HOH 310 22.936 12.097 7.525 1.00 50.40 O HETATM 2372 O HOH 311 25.458 -10.973 26.845 1.00 47.16 O HETATM 2373 O HOH 312 0.287 4.567 -6.783 1.00 56.68 O HETATM 2374 O HOH 313 -1.366 3.823 -7.550 1.00 42.89 O HETATM 2375 O HOH 314 8.099 8.583 38.234 1.00 49.95 O HETATM 2376 O HOH 315 -8.255 3.095 27.967 1.00 51.00 O HETATM 2377 O HOH 316 13.450 8.855 34.319 1.00 32.53 O HETATM 2378 O HOH 317 5.680 13.301 -5.094 1.00 51.50 O HETATM 2379 O HOH 318 7.487 -13.667 26.724 1.00 23.69 O HETATM 2380 O HOH 319 12.022 13.250 32.717 1.00 46.91 O HETATM 2381 O HOH 320 -7.433 3.530 -2.940 1.00 45.33 O HETATM 2382 O HOH 321 -13.064 -3.213 26.617 1.00 45.26 O HETATM 2383 O HOH 322 -5.922 2.679 -5.941 1.00 43.25 O HETATM 2384 O HOH 323 -10.232 -1.119 29.096 1.00 44.05 O HETATM 2385 O HOH 324 12.748 17.240 31.251 1.00 54.57 O HETATM 2386 O HOH 325 18.077 -14.230 29.917 1.00 47.32 O HETATM 2387 O HOH 326 12.817 10.684 36.432 1.00 50.68 O HETATM 2388 O HOH 327 9.643 10.364 38.888 1.00 53.51 O HETATM 2389 O HOH 328 26.133 -11.247 29.316 1.00 47.65 O HETATM 2390 O HOH 329 -10.666 3.943 28.768 1.00 45.46 O HETATM 2391 C02 KED A 330 0.421 -13.695 15.038 1.00 0.19 C HETATM 2392 C03 KED A 330 0.814 -12.370 15.324 1.00 0.00 C HETATM 2393 C04 KED A 330 2.079 -11.972 15.035 1.00 -0.01 C HETATM 2394 C05 KED A 330 2.480 -10.517 15.326 1.00 0.06 C HETATM 2395 P06 KED A 330 2.415 -9.434 13.799 1.00 0.07 P HETATM 2396 O07 KED A 330 1.301 -9.915 12.867 1.00 -0.56 O HETATM 2397 O08 KED A 330 2.121 -7.990 14.243 1.00 -0.56 O HETATM 2398 O09 KED A 330 3.759 -9.492 13.209 1.00 -0.56 O HETATM 2399 H2 KED A 330 3.506 -10.507 15.722 1.00 0.07 H HETATM 2400 H3 KED A 330 1.792 -10.106 16.079 1.00 0.07 H HETATM 2401 C10 KED A 330 2.949 -12.828 14.409 1.00 0.02 C HETATM 2402 C11 KED A 330 4.221 -12.449 14.077 1.00 -0.06 C HETATM 2403 C12 KED A 330 5.076 -13.377 13.488 1.00 -0.07 C HETATM 2404 C13 KED A 330 4.653 -14.660 13.241 1.00 -0.07 C HETATM 2405 C14 KED A 330 3.387 -15.004 13.575 1.00 -0.03 C HETATM 2406 C15 KED A 330 2.511 -14.118 14.161 1.00 0.09 C HETATM 2407 N16 KED A 330 1.282 -14.490 14.475 1.00 -0.23 N HETATM 2408 H8 KED A 330 1.001 -15.428 14.270 1.00 0.24 H HETATM 2409 H7 KED A 330 3.050 -16.015 13.374 1.00 0.05 H HETATM 2410 H6 KED A 330 5.320 -15.384 12.787 1.00 0.06 H HETATM 2411 H5 KED A 330 6.085 -13.084 13.222 1.00 0.05 H HETATM 2412 H4 KED A 330 4.559 -11.438 14.270 1.00 0.06 H HETATM 2413 H1 KED A 330 0.108 -11.673 15.773 1.00 0.04 H HETATM 2414 O01 KED A 330 -0.626 -14.048 15.292 1.00 -0.41 O CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 747 745 746 2062 CONECT 761 760 763 2062 CONECT 1341 1339 1340 2062 CONECT 1494 1493 2063 CONECT 1867 1865 1866 2063 CONECT 2062 747 761 1341 CONECT 2063 1494 1867 CONECT 2391 2392 2407 2414 CONECT 2392 2391 2393 2413 CONECT 2393 2392 2394 2401 CONECT 2394 2393 2395 2399 2400 CONECT 2395 2394 2396 2397 2398 CONECT 2396 2395 CONECT 2397 2395 CONECT 2398 2395 CONECT 2399 2394 CONECT 2400 2394 CONECT 2401 2393 2402 2406 CONECT 2402 2401 2403 2412 CONECT 2403 2402 2404 2411 CONECT 2404 2403 2405 2410 CONECT 2405 2404 2406 2409 CONECT 2406 2401 2405 2407 CONECT 2407 2391 2406 2408 CONECT 2408 2407 CONECT 2409 2405 CONECT 2410 2404 CONECT 2411 2403 CONECT 2412 2402 CONECT 2413 2392 CONECT 2414 2391 MASTER 0 0 0 0 0 0 0 0 2413 1 35 18 END
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Structure:
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Protein
Pocket-Ligand
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Related entries of code: 6d1h
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4exs
RCSB PDB
PDBbind
272aa, >4EXS_1|Chains... *
5a5z
RCSB PDB
PDBbind
251aa, >5A5Z_1|Chains... at 96%
6rmf
RCSB PDB
PDBbind
244aa, >6RMF_1|Chains... at 99%
6q2y
RCSB PDB
PDBbind
244aa, >6Q2Y_1|Chains... at 100%
6q30
RCSB PDB
PDBbind
244aa, >6Q30_1|Chains... at 100%
6ovz
RCSB PDB
PDBbind
235aa, >6OVZ_1|Chains... at 100%
6mdu
RCSB PDB
PDBbind
233aa, >6MDU_1|Chain... at 98%
6ibv
RCSB PDB
PDBbind
244aa, >6IBV_1|Chains... at 100%
6ibs
RCSB PDB
PDBbind
244aa, >6IBS_1|Chains... at 100%
6efj
RCSB PDB
PDBbind
233aa, >6EFJ_1|Chain... at 98%
6d1k
RCSB PDB
PDBbind
233aa, >6D1K_1|Chain... at 98%
6d1i
RCSB PDB
PDBbind
233aa, >6D1I_1|Chain... at 98%
6d1j
RCSB PDB
PDBbind
233aa, >6D1J_1|Chain... at 98%
6d1g
RCSB PDB
PDBbind
233aa, >6D1G_1|Chain... at 98%
6d1d
RCSB PDB
PDBbind
233aa, >6D1D_1|Chain... at 98%
6d1b
RCSB PDB
PDBbind
233aa, >6D1B_1|Chain... at 98%
6d1a
RCSB PDB
PDBbind
233aa, >6D1A_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6d1h
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Metallo-beta-lactamase type 2
Ligand Name
KED
EC.Number
E.C.3.5.2.6
Resolution
1.25(Å)
Affinity (Kd/Ki/IC50)
Ki=190.2uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 8480-8496
Ligand Properties
Formula
C
1
0
H
1
1
NO
4
P
Molecular Weight
240.172
Exact Mass
240.043
No. of atoms
27
No. of bonds
28
Polar Surface Area
107.14
LOGP Value
-1.31 (
Computed with XLOGP3
)
0.77 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
O=c1cc(CP(O)(O)O)c2c([nH]1)cccc2
InChI String
InChI=1S/C10H12NO4P/c12-10-5-7(6-16(13,14)15)8-3-1-2-4-9(8)11-10/h1-5,13-16H,6H2,(H,11,12)
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):
C7C422
Entrez Gene ID
NCBI Entrez Gene ID:
61419528
ASD
Information of known allosteric effects of PDB entries
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