Browse entries in the PDBbind-CN Database
HEADER 6EOX_COMPLEX COMPND 6EOX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 158 GLY PRO VAL TRP ARG LYS HIS TYR ILE THR TYR ARG ILE SEQRES 2 A 158 ASN ASN TYR THR PRO ASP MET ASN ARG GLU ASP VAL ASP SEQRES 3 A 158 TYR ALA ILE ARG LYS ALA PHE GLN VAL TRP SER ASN VAL SEQRES 4 A 158 THR PRO LEU LYS PHE SER LYS ILE ASN THR GLY MET ALA SEQRES 5 A 158 ASP ILE LEU VAL VAL PHE ALA ARG GLY ALA HIS GLY ASP SEQRES 6 A 158 ASP HIS ALA PHE ASP GLY LYS GLY GLY ILE LEU ALA HIS SEQRES 7 A 158 ALA PHE GLY PRO GLY SER GLY ILE GLY GLY ASP ALA HIS SEQRES 8 A 158 PHE ASP GLU ASP GLU PHE TRP THR THR HIS SER GLY GLY SEQRES 9 A 158 THR ASN LEU PHE LEU THR ALA VAL HIS GLU ILE GLY HIS SEQRES 10 A 158 SER LEU GLY LEU GLY HIS SER SER ASP PRO LYS ALA VAL SEQRES 11 A 158 MET PHE PRO THR TYR LYS TYR VAL ASP ILE ASN THR PHE SEQRES 12 A 158 ARG LEU SER ALA ASP ASP ILE ARG GLY ILE GLN SER LEU SEQRES 13 A 158 TYR GLY HET ZN A 1 1 HET ZN A 2 1 HET CA A 3 1 HET CA A 4 1 HET CA A 5 1 HET BKW A 361 44 ATOM 1 N GLY A 106 10.161 4.020 1.942 1.00 58.96 N ATOM 2 CA GLY A 106 8.720 4.090 2.345 1.00 44.48 C ATOM 3 C GLY A 106 8.516 4.778 3.708 1.00 37.79 C ATOM 4 O GLY A 106 9.460 5.136 4.398 1.00 38.55 O ATOM 5 HN3 GLY A 106 10.693 3.481 2.654 1.00 0.00 H ATOM 6 HN2 GLY A 106 10.548 4.983 1.874 1.00 0.00 H ATOM 7 HN1 GLY A 106 10.239 3.548 1.019 1.00 0.00 H ATOM 8 N PRO A 107 7.270 4.911 4.128 1.00 30.10 N ATOM 9 CA PRO A 107 7.008 5.613 5.423 1.00 28.82 C ATOM 10 C PRO A 107 7.580 4.900 6.623 1.00 25.42 C ATOM 11 O PRO A 107 7.682 3.641 6.632 1.00 21.90 O ATOM 12 CB PRO A 107 5.503 5.617 5.498 1.00 32.34 C ATOM 13 CG PRO A 107 5.110 4.337 4.832 1.00 36.81 C ATOM 14 CD PRO A 107 6.053 4.270 3.616 1.00 34.58 C ATOM 15 N VAL A 108 8.016 5.688 7.605 1.00 18.34 N ATOM 16 CA VAL A 108 8.508 5.150 8.863 1.00 16.79 C ATOM 17 C VAL A 108 7.938 6.003 9.992 1.00 14.64 C ATOM 18 O VAL A 108 7.532 7.126 9.754 1.00 14.09 O ATOM 19 CB VAL A 108 10.050 5.185 8.979 1.00 18.55 C ATOM 20 CG1 VAL A 108 10.650 4.219 7.982 1.00 20.57 C ATOM 21 CG2 VAL A 108 10.610 6.599 8.798 1.00 19.99 C ATOM 22 H VAL A 108 8.004 6.719 7.468 1.00 0.00 H ATOM 23 N TRP A 109 7.908 5.459 11.169 1.00 12.78 N ATOM 24 CA TRP A 109 7.469 6.236 12.353 1.00 12.31 C ATOM 25 C TRP A 109 8.560 7.258 12.597 1.00 12.01 C ATOM 26 O TRP A 109 9.730 6.945 12.562 1.00 13.52 O ATOM 27 CB TRP A 109 7.292 5.330 13.546 1.00 11.90 C ATOM 28 CG TRP A 109 6.181 4.307 13.322 1.00 11.71 C ATOM 29 CD1 TRP A 109 6.354 2.992 13.061 1.00 13.98 C ATOM 30 CD2 TRP A 109 4.792 4.561 13.301 1.00 11.18 C ATOM 31 NE1 TRP A 109 5.135 2.389 12.908 1.00 11.57 N ATOM 32 CE2 TRP A 109 4.146 3.325 13.053 1.00 10.55 C ATOM 33 CE3 TRP A 109 4.002 5.683 13.471 1.00 12.44 C ATOM 34 CZ2 TRP A 109 2.784 3.218 12.928 1.00 13.05 C ATOM 35 CZ3 TRP A 109 2.631 5.550 13.379 1.00 14.96 C ATOM 36 CH2 TRP A 109 2.035 4.341 13.101 1.00 12.90 C ATOM 37 HE1 TRP A 109 4.984 1.379 12.712 1.00 0.00 H ATOM 38 H TRP A 109 8.195 4.466 11.284 1.00 0.00 H ATOM 39 N ARG A 110 8.146 8.487 12.924 1.00 11.06 N ATOM 40 CA ARG A 110 9.062 9.592 13.148 1.00 13.15 C ATOM 41 C ARG A 110 9.306 9.883 14.635 1.00 14.19 C ATOM 42 O ARG A 110 9.661 11.011 15.002 1.00 17.32 O ATOM 43 CB ARG A 110 8.533 10.860 12.467 1.00 15.64 C ATOM 44 CG ARG A 110 8.428 10.804 10.955 1.00 18.63 C ATOM 45 CD ARG A 110 9.619 10.050 10.377 1.00 23.46 C ATOM 46 NE ARG A 110 9.937 10.451 8.983 1.00 33.30 N ATOM 47 CZ ARG A 110 9.417 9.900 7.901 1.00 33.40 C ATOM 48 NH1 ARG A 110 8.512 8.925 8.009 1.00 39.88 N ATOM 49 NH2 ARG A 110 9.797 10.310 6.712 1.00 43.92 N ATOM 50 HE ARG A 110 10.620 11.223 8.849 1.00 0.00 H ATOM 51 HH12 ARG A 110 8.106 8.495 7.153 1.00 0.00 H ATOM 52 HH11 ARG A 110 8.213 8.595 8.949 1.00 0.00 H ATOM 53 HH22 ARG A 110 9.389 9.878 5.858 1.00 0.00 H ATOM 54 HH21 ARG A 110 10.505 11.066 6.625 1.00 0.00 H ATOM 55 H ARG A 110 7.125 8.659 13.022 1.00 0.00 H ATOM 56 N LYS A 111 9.014 8.903 15.482 1.00 12.65 N ATOM 57 CA LYS A 111 9.035 9.069 16.923 1.00 13.24 C ATOM 58 C LYS A 111 9.470 7.753 17.506 1.00 12.56 C ATOM 59 O LYS A 111 9.358 6.710 16.846 1.00 12.36 O ATOM 60 CB LYS A 111 7.658 9.469 17.404 1.00 13.61 C ATOM 61 CG LYS A 111 6.620 8.392 17.251 1.00 12.42 C ATOM 62 CD LYS A 111 5.217 8.905 17.319 1.00 11.66 C ATOM 63 CE LYS A 111 4.151 7.855 17.175 1.00 12.01 C ATOM 64 NZ LYS A 111 2.807 8.400 17.262 1.00 14.28 N ATOM 65 HZ1 LYS A 111 2.679 8.858 18.187 1.00 0.00 H ATOM 66 HZ2 LYS A 111 2.668 9.100 16.505 1.00 0.00 H ATOM 67 HZ3 LYS A 111 2.115 7.631 17.156 1.00 0.00 H ATOM 68 H LYS A 111 8.758 7.973 15.094 1.00 0.00 H ATOM 69 N HIS A 112 9.947 7.749 18.732 1.00 10.92 N ATOM 70 CA HIS A 112 10.512 6.542 19.296 1.00 10.55 C ATOM 71 C HIS A 112 9.583 5.772 20.195 1.00 11.39 C ATOM 72 O HIS A 112 9.747 4.576 20.360 1.00 13.91 O ATOM 73 CB HIS A 112 11.767 6.829 20.074 1.00 11.98 C ATOM 74 CG HIS A 112 12.882 7.394 19.243 1.00 12.99 C ATOM 75 ND1 HIS A 112 13.321 6.789 18.061 1.00 15.37 N ATOM 76 CD2 HIS A 112 13.679 8.465 19.439 1.00 13.46 C ATOM 77 CE1 HIS A 112 14.311 7.532 17.557 1.00 13.34 C ATOM 78 NE2 HIS A 112 14.557 8.537 18.390 1.00 14.33 N ATOM 79 H HIS A 112 9.918 8.620 19.300 1.00 0.00 H ATOM 80 N TYR A 113 8.629 6.470 20.794 1.00 9.62 N ATOM 81 CA TYR A 113 7.658 5.787 21.649 1.00 10.14 C ATOM 82 C TYR A 113 6.440 5.474 20.818 1.00 10.09 C ATOM 83 O TYR A 113 5.727 6.357 20.360 1.00 11.56 O ATOM 84 CB TYR A 113 7.239 6.623 22.888 1.00 10.54 C ATOM 85 CG TYR A 113 8.327 6.859 23.888 1.00 11.33 C ATOM 86 CD1 TYR A 113 8.559 5.921 24.906 1.00 13.21 C ATOM 87 CD2 TYR A 113 9.156 7.991 23.840 1.00 11.59 C ATOM 88 CE1 TYR A 113 9.551 6.155 25.878 1.00 12.67 C ATOM 89 CE2 TYR A 113 10.141 8.203 24.746 1.00 12.67 C ATOM 90 CZ TYR A 113 10.376 7.273 25.767 1.00 13.27 C ATOM 91 OH TYR A 113 11.348 7.543 26.678 1.00 14.26 O ATOM 92 HH TYR A 113 11.399 6.803 27.333 1.00 0.00 H ATOM 93 H TYR A 113 8.571 7.499 20.657 1.00 0.00 H ATOM 94 N ILE A 114 6.168 4.166 20.637 1.00 11.38 N ATOM 95 CA ILE A 114 5.070 3.692 19.810 1.00 10.73 C ATOM 96 C ILE A 114 4.145 2.912 20.719 1.00 12.13 C ATOM 97 O ILE A 114 4.609 2.162 21.552 1.00 12.40 O ATOM 98 CB ILE A 114 5.589 2.743 18.719 1.00 11.87 C ATOM 99 CG1 ILE A 114 6.758 3.347 17.937 1.00 15.02 C ATOM 100 CG2 ILE A 114 4.437 2.207 17.861 1.00 13.28 C ATOM 101 CD1 ILE A 114 6.409 4.488 17.150 1.00 14.85 C ATOM 102 H ILE A 114 6.771 3.464 21.111 1.00 0.00 H ATOM 103 N THR A 115 2.858 3.089 20.500 1.00 9.81 N ATOM 104 CA THR A 115 1.827 2.382 21.274 1.00 10.72 C ATOM 105 C THR A 115 1.130 1.360 20.441 1.00 12.03 C ATOM 106 O THR A 115 1.002 1.513 19.210 1.00 11.22 O ATOM 107 CB THR A 115 0.817 3.353 21.843 1.00 11.82 C ATOM 108 OG1 THR A 115 0.188 4.066 20.792 1.00 12.50 O ATOM 109 CG2 THR A 115 1.501 4.325 22.857 1.00 12.71 C ATOM 110 HG1 THR A 115 -0.471 4.699 21.173 1.00 0.00 H ATOM 111 H THR A 115 2.561 3.751 19.755 1.00 0.00 H ATOM 112 N TYR A 116 0.668 0.260 21.074 1.00 12.02 N ATOM 113 CA TYR A 116 -0.200 -0.655 20.471 1.00 10.97 C ATOM 114 C TYR A 116 -1.374 -0.955 21.362 1.00 10.99 C ATOM 115 O TYR A 116 -1.307 -0.756 22.586 1.00 11.84 O ATOM 116 CB TYR A 116 0.545 -1.942 20.034 1.00 10.46 C ATOM 117 CG TYR A 116 1.083 -2.835 21.118 1.00 11.09 C ATOM 118 CD1 TYR A 116 2.295 -2.608 21.718 1.00 11.72 C ATOM 119 CD2 TYR A 116 0.341 -3.919 21.560 1.00 10.82 C ATOM 120 CE1 TYR A 116 2.808 -3.414 22.698 1.00 10.58 C ATOM 121 CE2 TYR A 116 0.836 -4.756 22.541 1.00 10.77 C ATOM 122 CZ TYR A 116 2.066 -4.515 23.087 1.00 12.18 C ATOM 123 OH TYR A 116 2.609 -5.370 24.040 1.00 12.70 O ATOM 124 HH TYR A 116 3.499 -5.034 24.315 1.00 0.00 H ATOM 125 H TYR A 116 0.971 0.086 22.053 1.00 0.00 H ATOM 126 N ARG A 117 -2.448 -1.468 20.766 1.00 9.96 N ATOM 127 CA ARG A 117 -3.568 -1.889 21.522 1.00 11.06 C ATOM 128 C ARG A 117 -4.059 -3.191 20.920 1.00 10.81 C ATOM 129 O ARG A 117 -4.052 -3.325 19.712 1.00 11.10 O ATOM 130 CB ARG A 117 -4.682 -0.828 21.494 1.00 12.14 C ATOM 131 CG ARG A 117 -5.939 -1.239 22.267 1.00 13.05 C ATOM 132 CD ARG A 117 -6.881 0.018 22.425 1.00 15.79 C ATOM 133 NE ARG A 117 -8.137 -0.332 23.030 1.00 19.94 N ATOM 134 CZ ARG A 117 -9.194 0.502 23.065 1.00 25.78 C ATOM 135 NH1 ARG A 117 -10.321 0.140 23.655 1.00 30.18 N ATOM 136 NH2 ARG A 117 -9.118 1.737 22.504 1.00 29.23 N ATOM 137 HE ARG A 117 -8.234 -1.273 23.461 1.00 0.00 H ATOM 138 HH12 ARG A 117 -11.130 0.793 23.675 1.00 0.00 H ATOM 139 HH11 ARG A 117 -10.398 -0.798 24.098 1.00 0.00 H ATOM 140 HH22 ARG A 117 -9.939 2.374 22.536 1.00 0.00 H ATOM 141 HH21 ARG A 117 -8.238 2.045 22.043 1.00 0.00 H ATOM 142 H ARG A 117 -2.464 -1.561 19.730 1.00 0.00 H ATOM 143 N ILE A 118 -4.488 -4.132 21.761 1.00 11.46 N ATOM 144 CA ILE A 118 -5.103 -5.361 21.267 1.00 10.76 C ATOM 145 C ILE A 118 -6.581 -5.064 21.226 1.00 12.27 C ATOM 146 O ILE A 118 -7.255 -4.932 22.291 1.00 14.68 O ATOM 147 CB ILE A 118 -4.732 -6.572 22.154 1.00 12.73 C ATOM 148 CG1 ILE A 118 -3.211 -6.757 22.016 1.00 15.33 C ATOM 149 CG2 ILE A 118 -5.498 -7.825 21.683 1.00 11.83 C ATOM 150 CD1 ILE A 118 -2.590 -7.804 22.877 1.00 17.74 C ATOM 151 H ILE A 118 -4.383 -3.989 22.786 1.00 0.00 H ATOM 152 N ASN A 119 -7.117 -4.908 20.033 1.00 13.32 N ATOM 153 CA ASN A 119 -8.505 -4.573 19.847 1.00 14.85 C ATOM 154 C ASN A 119 -9.442 -5.650 20.408 1.00 13.38 C ATOM 155 O ASN A 119 -10.499 -5.355 20.975 1.00 14.81 O ATOM 156 CB ASN A 119 -8.772 -4.447 18.368 1.00 16.28 C ATOM 157 CG ASN A 119 -10.183 -4.124 18.037 1.00 15.90 C ATOM 158 OD1 ASN A 119 -10.634 -2.996 18.241 1.00 19.61 O ATOM 159 ND2 ASN A 119 -10.902 -5.099 17.501 1.00 17.18 N ATOM 160 HD22 ASN A 119 -10.476 -6.036 17.348 1.00 0.00 H ATOM 161 HD21 ASN A 119 -11.892 -4.928 17.233 1.00 0.00 H ATOM 162 H ASN A 119 -6.515 -5.031 19.194 1.00 0.00 H ATOM 163 N ASN A 120 -9.092 -6.892 20.138 1.00 14.01 N ATOM 164 CA ASN A 120 -9.932 -8.017 20.528 1.00 10.90 C ATOM 165 C ASN A 120 -9.002 -9.231 20.546 1.00 12.87 C ATOM 166 O ASN A 120 -7.917 -9.176 20.008 1.00 14.14 O ATOM 167 CB ASN A 120 -11.086 -8.215 19.551 1.00 12.54 C ATOM 168 CG ASN A 120 -10.640 -8.622 18.176 1.00 12.77 C ATOM 169 OD1 ASN A 120 -9.840 -7.876 17.522 1.00 12.80 O ATOM 170 ND2 ASN A 120 -11.184 -9.722 17.684 1.00 15.73 N ATOM 171 HD22 ASN A 120 -11.830 -10.289 18.269 1.00 0.00 H ATOM 172 HD21 ASN A 120 -10.965 -10.020 16.712 1.00 0.00 H ATOM 173 H ASN A 120 -8.199 -7.072 19.637 1.00 0.00 H ATOM 174 N TYR A 121 -9.452 -10.299 21.191 1.00 10.18 N ATOM 175 CA TYR A 121 -8.590 -11.452 21.385 1.00 11.24 C ATOM 176 C TYR A 121 -9.156 -12.673 20.689 1.00 12.01 C ATOM 177 O TYR A 121 -10.340 -12.980 20.822 1.00 12.89 O ATOM 178 CB TYR A 121 -8.503 -11.793 22.876 1.00 11.76 C ATOM 179 CG TYR A 121 -7.600 -10.818 23.640 1.00 10.64 C ATOM 180 CD1 TYR A 121 -8.090 -9.597 24.097 1.00 12.41 C ATOM 181 CD2 TYR A 121 -6.297 -11.157 23.949 1.00 11.59 C ATOM 182 CE1 TYR A 121 -7.266 -8.742 24.762 1.00 13.23 C ATOM 183 CE2 TYR A 121 -5.443 -10.321 24.622 1.00 12.92 C ATOM 184 CZ TYR A 121 -5.957 -9.094 25.045 1.00 12.07 C ATOM 185 OH TYR A 121 -5.107 -8.230 25.724 1.00 14.56 O ATOM 186 HH TYR A 121 -5.599 -7.405 25.963 1.00 0.00 H ATOM 187 H TYR A 121 -10.425 -10.311 21.559 1.00 0.00 H ATOM 188 N THR A 122 -8.283 -13.393 20.010 1.00 10.84 N ATOM 189 CA THR A 122 -8.713 -14.652 19.418 1.00 10.29 C ATOM 190 C THR A 122 -9.143 -15.639 20.517 1.00 11.32 C ATOM 191 O THR A 122 -8.449 -15.748 21.552 1.00 12.34 O ATOM 192 CB THR A 122 -7.592 -15.284 18.573 1.00 11.53 C ATOM 193 OG1 THR A 122 -8.009 -16.567 18.159 1.00 11.64 O ATOM 194 CG2 THR A 122 -6.295 -15.422 19.316 1.00 12.31 C ATOM 195 HG1 THR A 122 -8.834 -16.486 17.618 1.00 0.00 H ATOM 196 H THR A 122 -7.302 -13.066 19.899 1.00 0.00 H ATOM 197 N PRO A 123 -10.209 -16.357 20.295 1.00 11.60 N ATOM 198 CA PRO A 123 -10.604 -17.454 21.234 1.00 12.02 C ATOM 199 C PRO A 123 -9.715 -18.673 21.094 1.00 11.48 C ATOM 200 O PRO A 123 -9.870 -19.635 21.872 1.00 12.95 O ATOM 201 CB PRO A 123 -12.005 -17.766 20.788 1.00 12.79 C ATOM 202 CG PRO A 123 -11.905 -17.596 19.310 1.00 11.25 C ATOM 203 CD PRO A 123 -11.137 -16.282 19.167 1.00 12.14 C ATOM 204 N ASP A 124 -8.782 -18.674 20.134 1.00 10.28 N ATOM 205 CA ASP A 124 -7.888 -19.787 19.951 1.00 9.40 C ATOM 206 C ASP A 124 -6.893 -19.947 21.055 1.00 10.27 C ATOM 207 O ASP A 124 -6.254 -21.001 21.157 1.00 10.89 O ATOM 208 CB ASP A 124 -7.071 -19.566 18.704 1.00 10.66 C ATOM 209 CG ASP A 124 -7.898 -19.445 17.425 1.00 11.77 C ATOM 210 OD1 ASP A 124 -9.106 -19.631 17.399 1.00 11.81 O ATOM 211 OD2 ASP A 124 -7.263 -19.074 16.389 1.00 11.06 O ATOM 212 H ASP A 124 -8.701 -17.850 19.505 1.00 0.00 H ATOM 213 N MET A 125 -6.630 -18.886 21.830 1.00 10.24 N ATOM 214 CA MET A 125 -5.539 -18.868 22.763 1.00 10.05 C ATOM 215 C MET A 125 -6.002 -18.324 24.106 1.00 9.07 C ATOM 216 O MET A 125 -6.983 -17.623 24.198 1.00 11.03 O ATOM 217 CB MET A 125 -4.390 -17.963 22.242 1.00 9.68 C ATOM 218 CG MET A 125 -3.670 -18.571 21.032 1.00 9.87 C ATOM 219 SD MET A 125 -2.512 -17.474 20.247 1.00 11.63 S ATOM 220 CE MET A 125 -1.307 -17.274 21.556 1.00 11.62 C ATOM 221 H MET A 125 -7.238 -18.046 21.753 1.00 0.00 H ATOM 222 N ASN A 126 -5.197 -18.627 25.143 1.00 9.41 N ATOM 223 CA ASN A 126 -5.363 -17.945 26.413 1.00 9.56 C ATOM 224 C ASN A 126 -5.066 -16.470 26.222 1.00 10.26 C ATOM 225 O ASN A 126 -4.119 -16.098 25.496 1.00 10.03 O ATOM 226 CB ASN A 126 -4.355 -18.524 27.391 1.00 10.55 C ATOM 227 CG ASN A 126 -4.542 -20.016 27.633 1.00 10.90 C ATOM 228 OD1 ASN A 126 -5.667 -20.483 27.744 1.00 10.50 O ATOM 229 ND2 ASN A 126 -3.426 -20.738 27.734 1.00 11.29 N ATOM 230 HD22 ASN A 126 -2.499 -20.279 27.629 1.00 0.00 H ATOM 231 HD21 ASN A 126 -3.483 -21.760 27.917 1.00 0.00 H ATOM 232 H ASN A 126 -4.457 -19.349 25.033 1.00 0.00 H ATOM 233 N ARG A 127 -5.832 -15.625 26.905 1.00 10.54 N ATOM 234 CA ARG A 127 -5.610 -14.179 26.723 1.00 10.57 C ATOM 235 C ARG A 127 -4.204 -13.756 27.092 1.00 10.40 C ATOM 236 O ARG A 127 -3.599 -12.870 26.434 1.00 9.91 O ATOM 237 CB ARG A 127 -6.625 -13.398 27.584 1.00 10.17 C ATOM 238 CG ARG A 127 -6.316 -11.893 27.636 1.00 10.21 C ATOM 239 CD ARG A 127 -7.117 -11.159 28.701 1.00 13.03 C ATOM 240 NE ARG A 127 -6.920 -9.729 28.532 1.00 14.51 N ATOM 241 CZ ARG A 127 -7.882 -8.932 28.089 1.00 20.85 C ATOM 242 NH1 ARG A 127 -9.048 -9.462 27.656 1.00 21.71 N ATOM 243 NH2 ARG A 127 -7.683 -7.629 28.047 1.00 24.36 N ATOM 244 HE ARG A 127 -5.994 -9.318 28.766 1.00 0.00 H ATOM 245 HH12 ARG A 127 -9.805 -8.839 27.308 1.00 0.00 H ATOM 246 HH11 ARG A 127 -9.188 -10.492 27.671 1.00 0.00 H ATOM 247 HH22 ARG A 127 -8.434 -6.999 27.700 1.00 0.00 H ATOM 248 HH21 ARG A 127 -6.775 -7.231 28.361 1.00 0.00 H ATOM 249 H ARG A 127 -6.568 -15.975 27.551 1.00 0.00 H ATOM 250 N GLU A 128 -3.646 -14.345 28.150 1.00 11.60 N ATOM 251 CA GLU A 128 -2.310 -13.956 28.582 1.00 11.74 C ATOM 252 C GLU A 128 -1.258 -14.356 27.560 1.00 10.55 C ATOM 253 O GLU A 128 -0.237 -13.695 27.455 1.00 11.67 O ATOM 254 CB GLU A 128 -1.990 -14.516 29.984 1.00 13.61 C ATOM 255 CG GLU A 128 -1.704 -15.990 30.038 1.00 17.61 C ATOM 256 CD GLU A 128 -2.121 -16.654 31.346 1.00 20.69 C ATOM 257 OE1 GLU A 128 -2.910 -17.562 31.269 1.00 17.13 O ATOM 258 OE2 GLU A 128 -1.665 -16.263 32.463 1.00 28.96 O ATOM 259 H GLU A 128 -4.165 -15.083 28.667 1.00 0.00 H ATOM 260 N ASP A 129 -1.520 -15.434 26.806 1.00 10.54 N ATOM 261 CA ASP A 129 -0.585 -15.931 25.801 1.00 12.79 C ATOM 262 C ASP A 129 -0.647 -15.039 24.560 1.00 10.36 C ATOM 263 O ASP A 129 0.347 -14.843 23.900 1.00 10.76 O ATOM 264 CB ASP A 129 -0.959 -17.339 25.422 1.00 11.63 C ATOM 265 CG ASP A 129 -0.629 -18.354 26.487 1.00 12.76 C ATOM 266 OD1 ASP A 129 0.155 -18.098 27.394 1.00 12.65 O ATOM 267 OD2 ASP A 129 -1.186 -19.452 26.384 1.00 13.20 O ATOM 268 H ASP A 129 -2.422 -15.934 26.942 1.00 0.00 H ATOM 269 N VAL A 130 -1.817 -14.456 24.288 1.00 9.77 N ATOM 270 CA VAL A 130 -1.898 -13.447 23.214 1.00 9.26 C ATOM 271 C VAL A 130 -1.079 -12.250 23.604 1.00 9.61 C ATOM 272 O VAL A 130 -0.244 -11.775 22.841 1.00 9.76 O ATOM 273 CB VAL A 130 -3.326 -13.093 22.911 1.00 10.43 C ATOM 274 CG1 VAL A 130 -3.378 -11.947 21.886 1.00 9.13 C ATOM 275 CG2 VAL A 130 -4.094 -14.315 22.346 1.00 10.82 C ATOM 276 H VAL A 130 -2.667 -14.712 24.830 1.00 0.00 H ATOM 277 N ASP A 131 -1.320 -11.734 24.817 1.00 10.28 N ATOM 278 CA ASP A 131 -0.539 -10.615 25.283 1.00 10.25 C ATOM 279 C ASP A 131 0.943 -10.859 25.165 1.00 10.03 C ATOM 280 O ASP A 131 1.713 -9.987 24.707 1.00 11.14 O ATOM 281 CB ASP A 131 -0.892 -10.274 26.743 1.00 10.84 C ATOM 282 CG ASP A 131 -2.204 -9.596 26.903 1.00 12.69 C ATOM 283 OD1 ASP A 131 -2.826 -9.181 25.888 1.00 13.39 O ATOM 284 OD2 ASP A 131 -2.712 -9.500 28.061 1.00 16.97 O ATOM 285 H ASP A 131 -2.066 -12.138 25.419 1.00 0.00 H ATOM 286 N TYR A 132 1.400 -12.028 25.621 1.00 10.72 N ATOM 287 CA TYR A 132 2.824 -12.348 25.659 1.00 9.91 C ATOM 288 C TYR A 132 3.427 -12.498 24.267 1.00 10.43 C ATOM 289 O TYR A 132 4.508 -11.983 24.021 1.00 12.00 O ATOM 290 CB TYR A 132 3.113 -13.519 26.543 1.00 12.55 C ATOM 291 CG TYR A 132 4.552 -13.783 26.784 1.00 15.51 C ATOM 292 CD1 TYR A 132 5.322 -12.902 27.532 1.00 22.52 C ATOM 293 CD2 TYR A 132 5.168 -14.883 26.256 1.00 16.25 C ATOM 294 CE1 TYR A 132 6.637 -13.160 27.755 1.00 25.50 C ATOM 295 CE2 TYR A 132 6.520 -15.130 26.497 1.00 20.91 C ATOM 296 CZ TYR A 132 7.221 -14.268 27.262 1.00 24.28 C ATOM 297 OH TYR A 132 8.604 -14.480 27.538 1.00 30.32 O ATOM 298 HH TYR A 132 8.941 -13.747 28.111 1.00 0.00 H ATOM 299 H TYR A 132 0.718 -12.735 25.961 1.00 0.00 H ATOM 300 N ALA A 133 2.716 -13.195 23.385 1.00 9.82 N ATOM 301 CA ALA A 133 3.217 -13.348 22.024 1.00 10.69 C ATOM 302 C ALA A 133 3.360 -12.010 21.353 1.00 11.02 C ATOM 303 O ALA A 133 4.365 -11.763 20.652 1.00 11.22 O ATOM 304 CB ALA A 133 2.245 -14.179 21.210 1.00 11.44 C ATOM 305 H ALA A 133 1.812 -13.627 23.663 1.00 0.00 H ATOM 306 N ILE A 134 2.363 -11.109 21.538 1.00 10.13 N ATOM 307 CA ILE A 134 2.460 -9.823 20.877 1.00 9.71 C ATOM 308 C ILE A 134 3.572 -8.985 21.484 1.00 9.67 C ATOM 309 O ILE A 134 4.370 -8.327 20.779 1.00 10.23 O ATOM 310 CB ILE A 134 1.106 -9.090 20.884 1.00 11.14 C ATOM 311 CG1 ILE A 134 0.031 -9.886 20.081 1.00 12.90 C ATOM 312 CG2 ILE A 134 1.216 -7.644 20.370 1.00 11.05 C ATOM 313 CD1 ILE A 134 0.349 -10.056 18.621 1.00 13.13 C ATOM 314 H ILE A 134 1.547 -11.336 22.141 1.00 0.00 H ATOM 315 N ARG A 135 3.647 -8.972 22.790 1.00 11.05 N ATOM 316 CA ARG A 135 4.713 -8.268 23.469 1.00 10.58 C ATOM 317 C ARG A 135 6.106 -8.735 23.023 1.00 9.43 C ATOM 318 O ARG A 135 6.968 -7.924 22.711 1.00 11.84 O ATOM 319 CB ARG A 135 4.558 -8.438 24.994 1.00 11.72 C ATOM 320 CG ARG A 135 5.668 -7.772 25.833 1.00 16.70 C ATOM 321 CD ARG A 135 5.403 -8.072 27.335 1.00 24.01 C ATOM 322 NE ARG A 135 6.466 -7.647 28.168 1.00 40.35 N ATOM 323 CZ ARG A 135 6.445 -6.520 28.884 1.00 47.12 C ATOM 324 NH1 ARG A 135 7.483 -6.207 29.630 1.00 58.90 N ATOM 325 NH2 ARG A 135 5.394 -5.730 28.857 1.00 49.84 N ATOM 326 HE ARG A 135 7.313 -8.248 28.226 1.00 0.00 H ATOM 327 HH12 ARG A 135 7.475 -5.331 30.191 1.00 0.00 H ATOM 328 HH11 ARG A 135 8.311 -6.835 29.659 1.00 0.00 H ATOM 329 HH22 ARG A 135 5.387 -4.854 29.418 1.00 0.00 H ATOM 330 HH21 ARG A 135 4.570 -5.981 28.275 1.00 0.00 H ATOM 331 H ARG A 135 2.929 -9.476 23.349 1.00 0.00 H ATOM 332 N LYS A 136 6.333 -10.046 22.996 1.00 10.50 N ATOM 333 CA LYS A 136 7.605 -10.583 22.585 1.00 11.19 C ATOM 334 C LYS A 136 7.926 -10.221 21.124 1.00 10.80 C ATOM 335 O LYS A 136 9.077 -9.969 20.783 1.00 11.55 O ATOM 336 CB LYS A 136 7.634 -12.090 22.788 1.00 11.81 C ATOM 337 CG LYS A 136 7.616 -12.587 24.248 1.00 15.01 C ATOM 338 CD LYS A 136 8.758 -12.067 25.115 1.00 24.49 C ATOM 339 CE LYS A 136 10.074 -12.725 24.770 1.00 27.91 C ATOM 340 NZ LYS A 136 11.112 -12.278 25.739 1.00 38.83 N ATOM 341 HZ1 LYS A 136 11.213 -11.244 25.685 1.00 0.00 H ATOM 342 HZ2 LYS A 136 10.826 -12.550 26.701 1.00 0.00 H ATOM 343 HZ3 LYS A 136 12.020 -12.729 25.505 1.00 0.00 H ATOM 344 H LYS A 136 5.574 -10.698 23.278 1.00 0.00 H ATOM 345 N ALA A 137 6.905 -10.206 20.291 1.00 10.61 N ATOM 346 CA ALA A 137 7.129 -9.887 18.864 1.00 9.69 C ATOM 347 C ALA A 137 7.592 -8.410 18.747 1.00 9.69 C ATOM 348 O ALA A 137 8.454 -8.117 17.943 1.00 11.61 O ATOM 349 CB ALA A 137 5.870 -10.162 18.075 1.00 10.78 C ATOM 350 H ALA A 137 5.947 -10.417 20.635 1.00 0.00 H ATOM 351 N PHE A 138 6.946 -7.503 19.502 1.00 9.87 N ATOM 352 CA PHE A 138 7.420 -6.126 19.486 1.00 9.78 C ATOM 353 C PHE A 138 8.818 -6.039 20.003 1.00 10.45 C ATOM 354 O PHE A 138 9.661 -5.258 19.499 1.00 11.67 O ATOM 355 CB PHE A 138 6.528 -5.223 20.294 1.00 10.53 C ATOM 356 CG PHE A 138 5.300 -4.750 19.591 1.00 9.83 C ATOM 357 CD1 PHE A 138 5.435 -3.852 18.539 1.00 10.26 C ATOM 358 CD2 PHE A 138 4.040 -5.260 19.862 1.00 10.25 C ATOM 359 CE1 PHE A 138 4.316 -3.414 17.863 1.00 10.00 C ATOM 360 CE2 PHE A 138 2.921 -4.815 19.169 1.00 10.80 C ATOM 361 CZ PHE A 138 3.111 -3.871 18.154 1.00 10.08 C ATOM 362 H PHE A 138 6.128 -7.778 20.083 1.00 0.00 H ATOM 363 N GLN A 139 9.154 -6.855 21.000 1.00 11.87 N ATOM 364 CA GLN A 139 10.508 -6.790 21.598 1.00 13.43 C ATOM 365 C GLN A 139 11.584 -7.217 20.601 1.00 12.80 C ATOM 366 O GLN A 139 12.682 -6.693 20.636 1.00 13.14 O ATOM 367 CB GLN A 139 10.531 -7.701 22.811 1.00 14.05 C ATOM 368 CG GLN A 139 9.791 -7.099 24.013 1.00 20.28 C ATOM 369 CD GLN A 139 9.729 -8.047 25.232 1.00 19.93 C ATOM 370 OE1 GLN A 139 10.157 -9.221 25.160 1.00 28.35 O ATOM 371 NE2 GLN A 139 9.110 -7.557 26.316 1.00 24.52 N ATOM 372 HE22 GLN A 139 8.774 -6.573 26.322 1.00 0.00 H ATOM 373 HE21 GLN A 139 8.966 -8.161 27.150 1.00 0.00 H ATOM 374 H GLN A 139 8.462 -7.542 21.361 1.00 0.00 H ATOM 375 N VAL A 140 11.258 -8.135 19.664 1.00 11.73 N ATOM 376 CA VAL A 140 12.196 -8.500 18.638 1.00 12.77 C ATOM 377 C VAL A 140 12.707 -7.245 17.911 1.00 12.78 C ATOM 378 O VAL A 140 13.899 -7.099 17.642 1.00 13.36 O ATOM 379 CB VAL A 140 11.560 -9.472 17.634 1.00 12.56 C ATOM 380 CG1 VAL A 140 12.404 -9.636 16.392 1.00 13.81 C ATOM 381 CG2 VAL A 140 11.379 -10.829 18.320 1.00 12.86 C ATOM 382 H VAL A 140 10.319 -8.582 19.686 1.00 0.00 H ATOM 383 N TRP A 141 11.799 -6.318 17.631 1.00 10.99 N ATOM 384 CA TRP A 141 12.153 -5.144 16.884 1.00 10.59 C ATOM 385 C TRP A 141 12.715 -4.038 17.767 1.00 11.70 C ATOM 386 O TRP A 141 13.598 -3.309 17.354 1.00 12.22 O ATOM 387 CB TRP A 141 10.933 -4.613 16.088 1.00 10.62 C ATOM 388 CG TRP A 141 10.485 -5.613 15.069 1.00 10.57 C ATOM 389 CD1 TRP A 141 9.338 -6.346 15.094 1.00 10.48 C ATOM 390 CD2 TRP A 141 11.229 -6.085 13.915 1.00 12.06 C ATOM 391 NE1 TRP A 141 9.267 -7.170 13.989 1.00 10.41 N ATOM 392 CE2 TRP A 141 10.395 -7.003 13.241 1.00 10.55 C ATOM 393 CE3 TRP A 141 12.448 -5.738 13.345 1.00 12.67 C ATOM 394 CZ2 TRP A 141 10.811 -7.670 12.054 1.00 11.10 C ATOM 395 CZ3 TRP A 141 12.862 -6.414 12.189 1.00 11.39 C ATOM 396 CH2 TRP A 141 12.024 -7.321 11.577 1.00 12.03 C ATOM 397 HE1 TRP A 141 8.481 -7.813 13.764 1.00 0.00 H ATOM 398 H TRP A 141 10.819 -6.444 17.957 1.00 0.00 H ATOM 399 N SER A 142 12.204 -3.887 18.992 1.00 10.42 N ATOM 400 CA SER A 142 12.833 -2.885 19.871 1.00 11.44 C ATOM 401 C SER A 142 14.235 -3.276 20.195 1.00 12.35 C ATOM 402 O SER A 142 15.049 -2.381 20.523 1.00 15.39 O ATOM 403 CB SER A 142 11.994 -2.665 21.107 1.00 16.78 C ATOM 404 OG SER A 142 11.844 -3.846 21.808 1.00 19.90 O ATOM 405 HG SER A 142 11.292 -3.682 22.614 1.00 0.00 H ATOM 406 H SER A 142 11.394 -4.454 19.313 1.00 0.00 H ATOM 407 N ASN A 143 14.571 -4.595 20.151 1.00 12.63 N ATOM 408 CA ASN A 143 15.902 -5.066 20.418 1.00 16.92 C ATOM 409 C ASN A 143 16.946 -4.505 19.443 1.00 16.39 C ATOM 410 O ASN A 143 18.139 -4.493 19.762 1.00 21.39 O ATOM 411 CB ASN A 143 16.017 -6.605 20.339 1.00 20.04 C ATOM 412 CG ASN A 143 15.384 -7.353 21.520 1.00 26.23 C ATOM 413 OD1 ASN A 143 15.192 -8.621 21.429 1.00 35.79 O ATOM 414 ND2 ASN A 143 15.127 -6.693 22.612 1.00 20.02 N ATOM 415 HD22 ASN A 143 15.294 -5.667 22.651 1.00 0.00 H ATOM 416 HD21 ASN A 143 14.755 -7.191 23.445 1.00 0.00 H ATOM 417 H ASN A 143 13.834 -5.290 19.914 1.00 0.00 H ATOM 418 N VAL A 144 16.533 -4.132 18.221 1.00 14.23 N ATOM 419 CA VAL A 144 17.515 -3.742 17.199 1.00 17.97 C ATOM 420 C VAL A 144 17.230 -2.352 16.641 1.00 16.59 C ATOM 421 O VAL A 144 17.724 -1.984 15.538 1.00 19.29 O ATOM 422 CB VAL A 144 17.558 -4.804 16.050 1.00 21.19 C ATOM 423 CG1 VAL A 144 18.166 -6.105 16.549 1.00 25.04 C ATOM 424 CG2 VAL A 144 16.185 -5.037 15.460 1.00 17.37 C ATOM 425 H VAL A 144 15.517 -4.119 17.997 1.00 0.00 H ATOM 426 N THR A 145 16.433 -1.595 17.333 1.00 16.20 N ATOM 427 CA THR A 145 16.109 -0.249 16.928 1.00 15.27 C ATOM 428 C THR A 145 16.035 0.618 18.177 1.00 14.79 C ATOM 429 O THR A 145 16.083 0.111 19.285 1.00 15.81 O ATOM 430 CB THR A 145 14.756 -0.179 16.234 1.00 13.91 C ATOM 431 OG1 THR A 145 13.722 -0.501 17.175 1.00 13.26 O ATOM 432 CG2 THR A 145 14.712 -0.994 15.019 1.00 13.83 C ATOM 433 HG1 THR A 145 13.869 -1.416 17.524 1.00 0.00 H ATOM 434 H THR A 145 16.015 -1.972 18.208 1.00 0.00 H ATOM 435 N PRO A 146 15.886 1.934 18.027 1.00 14.66 N ATOM 436 CA PRO A 146 15.582 2.804 19.174 1.00 14.60 C ATOM 437 C PRO A 146 14.146 2.816 19.577 1.00 13.86 C ATOM 438 O PRO A 146 13.779 3.582 20.490 1.00 14.51 O ATOM 439 CB PRO A 146 16.002 4.210 18.676 1.00 14.30 C ATOM 440 CG PRO A 146 16.692 3.958 17.325 1.00 17.04 C ATOM 441 CD PRO A 146 16.156 2.720 16.818 1.00 15.38 C ATOM 442 N LEU A 147 13.282 1.965 18.966 1.00 13.13 N ATOM 443 CA LEU A 147 11.881 2.045 19.220 1.00 12.05 C ATOM 444 C LEU A 147 11.544 1.435 20.606 1.00 12.42 C ATOM 445 O LEU A 147 12.193 0.491 21.054 1.00 14.35 O ATOM 446 CB LEU A 147 11.110 1.356 18.132 1.00 12.00 C ATOM 447 CG LEU A 147 11.283 1.948 16.752 1.00 12.14 C ATOM 448 CD1 LEU A 147 10.676 1.020 15.747 1.00 14.37 C ATOM 449 CD2 LEU A 147 10.629 3.343 16.676 1.00 14.21 C ATOM 450 H LEU A 147 13.646 1.248 18.306 1.00 0.00 H ATOM 451 N LYS A 148 10.561 2.020 21.257 1.00 10.41 N ATOM 452 CA LYS A 148 9.959 1.470 22.487 1.00 10.96 C ATOM 453 C LYS A 148 8.493 1.285 22.262 1.00 11.67 C ATOM 454 O LYS A 148 7.814 2.185 21.720 1.00 14.97 O ATOM 455 CB LYS A 148 10.158 2.507 23.629 1.00 14.14 C ATOM 456 CG LYS A 148 11.572 2.609 24.069 1.00 17.40 C ATOM 457 CD LYS A 148 12.040 1.300 24.681 1.00 29.04 C ATOM 458 CE LYS A 148 12.335 1.377 26.116 1.00 27.84 C ATOM 459 NZ LYS A 148 12.901 0.190 26.696 1.00 17.39 N ATOM 460 HZ1 LYS A 148 12.240 -0.603 26.574 1.00 0.00 H ATOM 461 HZ2 LYS A 148 13.800 -0.031 26.222 1.00 0.00 H ATOM 462 HZ3 LYS A 148 13.071 0.348 27.710 1.00 0.00 H ATOM 463 H LYS A 148 10.189 2.917 20.885 1.00 0.00 H ATOM 464 N PHE A 149 7.927 0.128 22.704 1.00 11.33 N ATOM 465 CA PHE A 149 6.546 -0.201 22.451 1.00 11.52 C ATOM 466 C PHE A 149 5.836 -0.332 23.789 1.00 11.42 C ATOM 467 O PHE A 149 6.377 -1.020 24.716 1.00 15.59 O ATOM 468 CB PHE A 149 6.416 -1.524 21.650 1.00 11.15 C ATOM 469 CG PHE A 149 7.057 -1.432 20.306 1.00 10.18 C ATOM 470 CD1 PHE A 149 6.446 -0.716 19.297 1.00 11.54 C ATOM 471 CD2 PHE A 149 8.290 -1.998 20.057 1.00 10.81 C ATOM 472 CE1 PHE A 149 7.035 -0.599 18.041 1.00 10.46 C ATOM 473 CE2 PHE A 149 8.884 -1.896 18.856 1.00 12.03 C ATOM 474 CZ PHE A 149 8.206 -1.222 17.808 1.00 10.69 C ATOM 475 H PHE A 149 8.512 -0.542 23.243 1.00 0.00 H ATOM 476 N SER A 150 4.649 0.189 23.847 1.00 11.83 N ATOM 477 CA SER A 150 3.820 0.084 25.095 1.00 12.86 C ATOM 478 C SER A 150 2.439 -0.307 24.722 1.00 11.60 C ATOM 479 O SER A 150 1.842 0.270 23.774 1.00 11.88 O ATOM 480 CB SER A 150 3.808 1.414 25.845 1.00 16.89 C ATOM 481 OG SER A 150 5.106 1.728 26.266 1.00 22.86 O ATOM 482 HG SER A 150 5.699 1.800 25.477 1.00 0.00 H ATOM 483 H SER A 150 4.266 0.686 23.018 1.00 0.00 H ATOM 484 N LYS A 151 1.860 -1.268 25.432 1.00 11.30 N ATOM 485 CA LYS A 151 0.501 -1.656 25.251 1.00 11.90 C ATOM 486 C LYS A 151 -0.414 -0.678 25.982 1.00 11.46 C ATOM 487 O LYS A 151 -0.210 -0.420 27.157 1.00 14.58 O ATOM 488 CB LYS A 151 0.274 -3.080 25.785 1.00 13.94 C ATOM 489 CG LYS A 151 -1.101 -3.570 25.703 1.00 17.02 C ATOM 490 CD LYS A 151 -1.085 -5.028 26.192 1.00 20.76 C ATOM 491 CE LYS A 151 -2.420 -5.603 26.343 1.00 23.71 C ATOM 492 NZ LYS A 151 -3.065 -5.080 27.532 1.00 22.89 N ATOM 493 HZ1 LYS A 151 -2.496 -5.321 28.368 1.00 0.00 H ATOM 494 HZ2 LYS A 151 -3.148 -4.046 27.454 1.00 0.00 H ATOM 495 HZ3 LYS A 151 -4.012 -5.499 27.624 1.00 0.00 H ATOM 496 H LYS A 151 2.424 -1.760 26.154 1.00 0.00 H ATOM 497 N ILE A 152 -1.439 -0.178 25.294 1.00 11.89 N ATOM 498 CA ILE A 152 -2.403 0.657 25.951 1.00 12.22 C ATOM 499 C ILE A 152 -3.739 -0.049 25.897 1.00 13.17 C ATOM 500 O ILE A 152 -4.007 -0.871 25.006 1.00 16.10 O ATOM 501 CB ILE A 152 -2.484 2.095 25.358 1.00 14.16 C ATOM 502 CG1 ILE A 152 -3.079 2.094 23.931 1.00 14.28 C ATOM 503 CG2 ILE A 152 -1.076 2.719 25.403 1.00 15.12 C ATOM 504 CD1 ILE A 152 -3.173 3.543 23.361 1.00 15.87 C ATOM 505 H ILE A 152 -1.540 -0.393 24.281 1.00 0.00 H ATOM 506 N ASN A 153 -4.625 0.294 26.821 1.00 17.27 N ATOM 507 CA ASN A 153 -5.855 -0.406 27.007 1.00 17.74 C ATOM 508 C ASN A 153 -7.076 0.365 26.518 1.00 21.30 C ATOM 509 O ASN A 153 -8.152 -0.211 26.397 1.00 26.24 O ATOM 510 CB ASN A 153 -5.981 -0.789 28.476 1.00 22.34 C ATOM 511 CG ASN A 153 -4.919 -1.781 28.892 1.00 27.45 C ATOM 512 OD1 ASN A 153 -4.437 -1.764 29.994 1.00 41.00 O ATOM 513 ND2 ASN A 153 -4.533 -2.628 27.963 1.00 26.01 N ATOM 514 HD22 ASN A 153 -4.978 -2.607 27.023 1.00 0.00 H ATOM 515 HD21 ASN A 153 -3.783 -3.319 28.168 1.00 0.00 H ATOM 516 H ASN A 153 -4.416 1.106 27.436 1.00 0.00 H ATOM 517 N THR A 154 -6.907 1.667 26.241 1.00 21.37 N ATOM 518 CA THR A 154 -7.990 2.553 25.746 1.00 24.19 C ATOM 519 C THR A 154 -7.337 3.574 24.902 1.00 22.81 C ATOM 520 O THR A 154 -6.129 3.777 25.008 1.00 23.55 O ATOM 521 CB THR A 154 -8.761 3.287 26.887 1.00 27.28 C ATOM 522 OG1 THR A 154 -7.827 3.950 27.701 1.00 30.73 O ATOM 523 CG2 THR A 154 -9.523 2.294 27.730 1.00 31.39 C ATOM 524 HG1 THR A 154 -7.323 4.606 27.157 1.00 0.00 H ATOM 525 H THR A 154 -5.963 2.079 26.381 1.00 0.00 H ATOM 526 N GLY A 155 -8.134 4.221 24.063 1.00 25.11 N ATOM 527 CA GLY A 155 -7.649 5.309 23.280 1.00 25.28 C ATOM 528 C GLY A 155 -7.075 4.845 21.958 1.00 21.61 C ATOM 529 O GLY A 155 -7.164 3.683 21.590 1.00 25.27 O ATOM 530 H GLY A 155 -9.129 3.930 23.975 1.00 0.00 H ATOM 531 N MET A 156 -6.482 5.784 21.239 1.00 20.38 N ATOM 532 CA MET A 156 -5.991 5.518 19.889 1.00 20.74 C ATOM 533 C MET A 156 -4.523 5.124 20.006 1.00 18.00 C ATOM 534 O MET A 156 -3.663 5.946 20.360 1.00 20.14 O ATOM 535 CB MET A 156 -6.139 6.773 19.021 1.00 27.05 C ATOM 536 CG MET A 156 -5.494 6.618 17.645 1.00 27.80 C ATOM 537 SD MET A 156 -5.816 7.973 16.529 1.00 44.95 S ATOM 538 CE MET A 156 -7.609 7.898 16.402 1.00 45.90 C ATOM 539 H MET A 156 -6.363 6.734 21.645 1.00 0.00 H ATOM 540 N ALA A 157 -4.218 3.909 19.660 1.00 15.26 N ATOM 541 CA ALA A 157 -2.840 3.481 19.626 1.00 13.49 C ATOM 542 C ALA A 157 -2.300 3.742 18.240 1.00 12.55 C ATOM 543 O ALA A 157 -3.065 3.922 17.317 1.00 15.02 O ATOM 544 CB ALA A 157 -2.727 1.986 19.941 1.00 15.22 C ATOM 545 H ALA A 157 -4.973 3.240 19.406 1.00 0.00 H ATOM 546 N ASP A 158 -0.973 3.706 18.118 1.00 11.37 N ATOM 547 CA ASP A 158 -0.393 3.722 16.776 1.00 12.25 C ATOM 548 C ASP A 158 -0.710 2.449 16.038 1.00 12.69 C ATOM 549 O ASP A 158 -1.144 2.489 14.893 1.00 12.08 O ATOM 550 CB ASP A 158 1.123 3.880 16.887 1.00 11.90 C ATOM 551 CG ASP A 158 1.533 5.186 17.506 1.00 12.65 C ATOM 552 OD1 ASP A 158 1.041 6.253 17.020 1.00 12.97 O ATOM 553 OD2 ASP A 158 2.307 5.144 18.468 1.00 13.89 O ATOM 554 H ASP A 158 -0.363 3.667 18.960 1.00 0.00 H ATOM 555 N ILE A 159 -0.525 1.319 16.678 1.00 11.93 N ATOM 556 CA ILE A 159 -0.667 0.016 16.050 1.00 9.70 C ATOM 557 C ILE A 159 -1.836 -0.689 16.711 1.00 10.40 C ATOM 558 O ILE A 159 -1.737 -1.136 17.852 1.00 11.92 O ATOM 559 CB ILE A 159 0.629 -0.817 16.104 1.00 11.04 C ATOM 560 CG1 ILE A 159 1.732 -0.128 15.336 1.00 10.82 C ATOM 561 CG2 ILE A 159 0.353 -2.259 15.650 1.00 11.67 C ATOM 562 CD1 ILE A 159 3.094 -0.676 15.613 1.00 11.17 C ATOM 563 H ILE A 159 -0.264 1.357 17.684 1.00 0.00 H ATOM 564 N LEU A 160 -2.937 -0.775 15.999 1.00 10.18 N ATOM 565 CA LEU A 160 -4.067 -1.540 16.465 1.00 10.65 C ATOM 566 C LEU A 160 -3.916 -2.984 15.988 1.00 11.72 C ATOM 567 O LEU A 160 -3.763 -3.254 14.814 1.00 11.75 O ATOM 568 CB LEU A 160 -5.373 -0.959 15.975 1.00 12.19 C ATOM 569 CG LEU A 160 -6.593 -1.560 16.653 1.00 15.76 C ATOM 570 CD1 LEU A 160 -6.643 -1.324 18.148 1.00 14.48 C ATOM 571 CD2 LEU A 160 -7.884 -1.127 15.965 1.00 16.62 C ATOM 572 H LEU A 160 -2.994 -0.283 15.084 1.00 0.00 H ATOM 573 N VAL A 161 -4.027 -3.944 16.920 1.00 11.61 N ATOM 574 CA VAL A 161 -3.919 -5.373 16.664 1.00 10.81 C ATOM 575 C VAL A 161 -5.305 -5.924 16.661 1.00 11.89 C ATOM 576 O VAL A 161 -6.017 -5.821 17.685 1.00 13.46 O ATOM 577 CB VAL A 161 -3.025 -6.059 17.745 1.00 11.07 C ATOM 578 CG1 VAL A 161 -3.074 -7.565 17.596 1.00 12.99 C ATOM 579 CG2 VAL A 161 -1.571 -5.545 17.705 1.00 12.74 C ATOM 580 H VAL A 161 -4.204 -3.644 17.900 1.00 0.00 H ATOM 581 N VAL A 162 -5.733 -6.540 15.580 1.00 10.82 N ATOM 582 CA VAL A 162 -7.068 -6.985 15.387 1.00 10.84 C ATOM 583 C VAL A 162 -7.071 -8.462 14.956 1.00 10.97 C ATOM 584 O VAL A 162 -6.284 -8.857 14.137 1.00 13.04 O ATOM 585 CB VAL A 162 -7.783 -6.153 14.278 1.00 13.37 C ATOM 586 CG1 VAL A 162 -9.191 -6.668 14.007 1.00 13.43 C ATOM 587 CG2 VAL A 162 -7.715 -4.646 14.625 1.00 13.53 C ATOM 588 H VAL A 162 -5.048 -6.713 14.816 1.00 0.00 H ATOM 589 N PHE A 163 -7.992 -9.254 15.505 1.00 10.00 N ATOM 590 CA PHE A 163 -8.322 -10.547 14.908 1.00 10.04 C ATOM 591 C PHE A 163 -9.649 -10.428 14.268 1.00 10.69 C ATOM 592 O PHE A 163 -10.620 -9.939 14.864 1.00 12.38 O ATOM 593 CB PHE A 163 -8.361 -11.635 16.012 1.00 9.99 C ATOM 594 CG PHE A 163 -7.033 -11.910 16.629 1.00 10.17 C ATOM 595 CD1 PHE A 163 -6.588 -11.163 17.725 1.00 12.26 C ATOM 596 CD2 PHE A 163 -6.220 -12.938 16.193 1.00 9.76 C ATOM 597 CE1 PHE A 163 -5.344 -11.396 18.277 1.00 11.96 C ATOM 598 CE2 PHE A 163 -4.971 -13.170 16.782 1.00 11.54 C ATOM 599 CZ PHE A 163 -4.559 -12.399 17.857 1.00 11.45 C ATOM 600 H PHE A 163 -8.482 -8.948 16.370 1.00 0.00 H ATOM 601 N ALA A 164 -9.743 -10.808 12.988 1.00 10.12 N ATOM 602 CA ALA A 164 -10.956 -10.679 12.257 1.00 11.92 C ATOM 603 C ALA A 164 -10.992 -11.670 11.126 1.00 11.01 C ATOM 604 O ALA A 164 -9.967 -12.270 10.767 1.00 11.45 O ATOM 605 CB ALA A 164 -11.065 -9.290 11.636 1.00 14.85 C ATOM 606 H ALA A 164 -8.907 -11.208 12.516 1.00 0.00 H ATOM 607 N ARG A 165 -12.182 -11.916 10.603 1.00 13.94 N ATOM 608 CA ARG A 165 -12.313 -12.901 9.525 1.00 12.14 C ATOM 609 C ARG A 165 -13.041 -12.274 8.336 1.00 12.47 C ATOM 610 O ARG A 165 -13.809 -11.323 8.474 1.00 14.03 O ATOM 611 CB ARG A 165 -13.010 -14.174 9.967 1.00 13.99 C ATOM 612 CG ARG A 165 -14.270 -13.984 10.743 1.00 15.00 C ATOM 613 CD ARG A 165 -15.134 -15.242 10.854 1.00 16.55 C ATOM 614 NE ARG A 165 -14.366 -16.352 11.277 1.00 19.01 N ATOM 615 CZ ARG A 165 -14.120 -16.741 12.530 1.00 17.78 C ATOM 616 NH1 ARG A 165 -14.577 -16.044 13.523 1.00 18.59 N ATOM 617 NH2 ARG A 165 -13.363 -17.820 12.727 1.00 18.09 N ATOM 618 HE ARG A 165 -13.944 -16.932 10.524 1.00 0.00 H ATOM 619 HH12 ARG A 165 -14.387 -16.345 14.500 1.00 0.00 H ATOM 620 HH11 ARG A 165 -15.134 -15.184 13.342 1.00 0.00 H ATOM 621 HH22 ARG A 165 -13.158 -18.142 13.694 1.00 0.00 H ATOM 622 HH21 ARG A 165 -12.977 -18.340 11.913 1.00 0.00 H ATOM 623 H ARG A 165 -13.021 -11.413 10.955 1.00 0.00 H ATOM 624 N GLY A 166 -12.822 -12.859 7.173 1.00 13.08 N ATOM 625 CA GLY A 166 -13.496 -12.362 5.965 1.00 15.72 C ATOM 626 C GLY A 166 -13.309 -10.867 5.762 1.00 15.50 C ATOM 627 O GLY A 166 -12.241 -10.288 6.022 1.00 15.99 O ATOM 628 H GLY A 166 -12.174 -13.670 7.112 1.00 0.00 H ATOM 629 N ALA A 167 -14.350 -10.226 5.275 1.00 16.30 N ATOM 630 CA ALA A 167 -14.360 -8.777 5.103 1.00 18.45 C ATOM 631 C ALA A 167 -14.455 -8.113 6.463 1.00 16.30 C ATOM 632 O ALA A 167 -15.300 -8.494 7.296 1.00 19.24 O ATOM 633 CB ALA A 167 -15.573 -8.375 4.228 1.00 21.76 C ATOM 634 H ALA A 167 -15.194 -10.770 5.004 1.00 0.00 H ATOM 635 N HIS A 168 -13.508 -7.254 6.766 1.00 16.74 N ATOM 636 CA HIS A 168 -13.423 -6.614 8.089 1.00 19.21 C ATOM 637 C HIS A 168 -13.172 -5.129 8.068 1.00 20.52 C ATOM 638 O HIS A 168 -12.616 -4.584 8.982 1.00 20.20 O ATOM 639 CB HIS A 168 -12.390 -7.346 8.972 1.00 15.32 C ATOM 640 CG HIS A 168 -11.033 -7.436 8.368 1.00 12.77 C ATOM 641 ND1 HIS A 168 -10.710 -8.372 7.418 1.00 12.28 N ATOM 642 CD2 HIS A 168 -9.917 -6.688 8.549 1.00 11.15 C ATOM 643 CE1 HIS A 168 -9.451 -8.193 7.039 1.00 11.83 C ATOM 644 NE2 HIS A 168 -8.943 -7.184 7.707 1.00 10.29 N ATOM 645 H HIS A 168 -12.795 -7.018 6.047 1.00 0.00 H ATOM 646 N GLY A 169 -13.680 -4.473 7.035 1.00 18.80 N ATOM 647 CA GLY A 169 -13.605 -3.031 6.922 1.00 19.34 C ATOM 648 C GLY A 169 -12.425 -2.302 6.325 1.00 20.46 C ATOM 649 O GLY A 169 -12.409 -1.082 6.384 1.00 26.07 O ATOM 650 H GLY A 169 -14.149 -5.012 6.279 1.00 0.00 H ATOM 651 N ASP A 170 -11.438 -3.007 5.790 1.00 17.21 N ATOM 652 CA ASP A 170 -10.290 -2.325 5.187 1.00 20.39 C ATOM 653 C ASP A 170 -10.051 -2.554 3.686 1.00 21.85 C ATOM 654 O ASP A 170 -8.966 -2.308 3.190 1.00 24.95 O ATOM 655 CB ASP A 170 -9.021 -2.586 5.983 1.00 19.20 C ATOM 656 CG ASP A 170 -8.649 -4.051 6.041 1.00 16.79 C ATOM 657 OD1 ASP A 170 -9.237 -4.887 5.320 1.00 16.06 O ATOM 658 OD2 ASP A 170 -7.735 -4.336 6.813 1.00 17.79 O ATOM 659 H ASP A 170 -11.479 -4.046 5.798 1.00 0.00 H ATOM 660 N ASP A 171 -10.973 -3.268 3.053 1.00 22.11 N ATOM 661 CA ASP A 171 -10.902 -3.586 1.613 1.00 20.04 C ATOM 662 C ASP A 171 -9.958 -4.724 1.314 1.00 20.23 C ATOM 663 O ASP A 171 -9.921 -5.166 0.175 1.00 25.62 O ATOM 664 CB ASP A 171 -10.633 -2.375 0.694 1.00 27.85 C ATOM 665 CG ASP A 171 -11.684 -1.256 0.896 1.00 33.19 C ATOM 666 OD1 ASP A 171 -12.913 -1.551 0.935 1.00 27.64 O ATOM 667 OD2 ASP A 171 -11.258 -0.111 1.085 1.00 39.81 O ATOM 668 H ASP A 171 -11.785 -3.621 3.598 1.00 0.00 H ATOM 669 N HIS A 172 -9.280 -5.285 2.333 1.00 17.59 N ATOM 670 CA HIS A 172 -8.402 -6.413 2.119 1.00 16.10 C ATOM 671 C HIS A 172 -8.997 -7.615 2.894 1.00 14.29 C ATOM 672 O HIS A 172 -8.529 -7.959 3.994 1.00 16.07 O ATOM 673 CB HIS A 172 -7.007 -6.130 2.506 1.00 18.53 C ATOM 674 CG HIS A 172 -6.426 -4.944 1.766 1.00 24.31 C ATOM 675 ND1 HIS A 172 -5.987 -5.039 0.472 1.00 31.68 N ATOM 676 CD2 HIS A 172 -6.385 -3.630 2.102 1.00 29.72 C ATOM 677 CE1 HIS A 172 -5.648 -3.823 0.051 1.00 32.57 C ATOM 678 NE2 HIS A 172 -5.850 -2.960 1.040 1.00 35.97 N ATOM 679 H HIS A 172 -9.390 -4.899 3.293 1.00 0.00 H ATOM 680 N ALA A 173 -10.036 -8.207 2.356 1.00 14.18 N ATOM 681 CA ALA A 173 -10.725 -9.248 3.036 1.00 13.83 C ATOM 682 C ALA A 173 -9.809 -10.449 3.250 1.00 12.67 C ATOM 683 O ALA A 173 -8.966 -10.775 2.430 1.00 13.92 O ATOM 684 CB ALA A 173 -11.940 -9.697 2.245 1.00 18.22 C ATOM 685 H ALA A 173 -10.362 -7.909 1.414 1.00 0.00 H ATOM 686 N PHE A 174 -10.023 -11.152 4.389 1.00 12.89 N ATOM 687 CA PHE A 174 -9.397 -12.407 4.585 1.00 12.05 C ATOM 688 C PHE A 174 -10.179 -13.560 3.887 1.00 12.62 C ATOM 689 O PHE A 174 -11.288 -13.343 3.335 1.00 16.01 O ATOM 690 CB PHE A 174 -9.225 -12.718 6.060 1.00 12.54 C ATOM 691 CG PHE A 174 -8.147 -11.926 6.741 1.00 12.34 C ATOM 692 CD1 PHE A 174 -6.915 -11.770 6.168 1.00 13.03 C ATOM 693 CD2 PHE A 174 -8.383 -11.309 7.951 1.00 11.62 C ATOM 694 CE1 PHE A 174 -5.880 -11.084 6.815 1.00 13.07 C ATOM 695 CE2 PHE A 174 -7.374 -10.643 8.612 1.00 12.29 C ATOM 696 CZ PHE A 174 -6.137 -10.531 8.036 1.00 12.27 C ATOM 697 H PHE A 174 -10.651 -10.767 5.123 1.00 0.00 H ATOM 698 N ASP A 175 -9.565 -14.712 3.845 1.00 12.68 N ATOM 699 CA ASP A 175 -9.908 -15.747 2.868 1.00 14.10 C ATOM 700 C ASP A 175 -10.223 -17.116 3.485 1.00 15.78 C ATOM 701 O ASP A 175 -10.122 -18.146 2.796 1.00 15.95 O ATOM 702 CB ASP A 175 -8.767 -15.879 1.883 1.00 14.81 C ATOM 703 CG ASP A 175 -7.444 -16.214 2.530 1.00 15.24 C ATOM 704 OD1 ASP A 175 -7.354 -16.241 3.787 1.00 15.49 O ATOM 705 OD2 ASP A 175 -6.460 -16.455 1.821 1.00 16.86 O ATOM 706 H ASP A 175 -8.805 -14.901 4.530 1.00 0.00 H ATOM 707 N GLY A 176 -10.613 -17.147 4.740 1.00 17.05 N ATOM 708 CA GLY A 176 -10.849 -18.426 5.366 1.00 14.06 C ATOM 709 C GLY A 176 -9.538 -19.080 5.800 1.00 13.95 C ATOM 710 O GLY A 176 -8.462 -18.489 5.752 1.00 13.57 O ATOM 711 H GLY A 176 -10.749 -16.264 5.273 1.00 0.00 H ATOM 712 N LYS A 177 -9.635 -20.300 6.306 1.00 15.68 N ATOM 713 CA LYS A 177 -8.457 -20.975 6.795 1.00 15.93 C ATOM 714 C LYS A 177 -7.451 -21.155 5.647 1.00 15.57 C ATOM 715 O LYS A 177 -7.833 -21.466 4.524 1.00 19.91 O ATOM 716 CB LYS A 177 -8.845 -22.309 7.415 1.00 18.36 C ATOM 717 CG LYS A 177 -7.709 -23.016 8.124 1.00 21.92 C ATOM 718 CD LYS A 177 -8.223 -24.267 8.824 1.00 24.86 C ATOM 719 CE LYS A 177 -7.218 -24.714 9.857 1.00 31.87 C ATOM 720 NZ LYS A 177 -5.857 -24.933 9.299 1.00 25.78 N ATOM 721 HZ1 LYS A 177 -5.899 -25.668 8.564 1.00 0.00 H ATOM 722 HZ2 LYS A 177 -5.507 -24.046 8.884 1.00 0.00 H ATOM 723 HZ3 LYS A 177 -5.217 -25.238 10.060 1.00 0.00 H ATOM 724 H LYS A 177 -10.561 -20.772 6.351 1.00 0.00 H ATOM 725 N GLY A 178 -6.185 -21.033 5.984 1.00 17.41 N ATOM 726 CA GLY A 178 -5.093 -21.119 5.040 1.00 19.26 C ATOM 727 C GLY A 178 -4.985 -19.858 4.223 1.00 17.07 C ATOM 728 O GLY A 178 -5.588 -18.820 4.508 1.00 15.10 O ATOM 729 H GLY A 178 -5.957 -20.865 6.985 1.00 0.00 H ATOM 730 N GLY A 179 -4.211 -19.961 3.172 1.00 17.45 N ATOM 731 CA GLY A 179 -3.992 -18.808 2.368 1.00 14.54 C ATOM 732 C GLY A 179 -3.345 -17.673 3.164 1.00 13.74 C ATOM 733 O GLY A 179 -2.339 -17.885 3.857 1.00 15.62 O ATOM 734 H GLY A 179 -3.765 -20.869 2.930 1.00 0.00 H ATOM 735 N ILE A 180 -3.965 -16.507 3.092 1.00 13.42 N ATOM 736 CA ILE A 180 -3.483 -15.331 3.827 1.00 13.19 C ATOM 737 C ILE A 180 -3.702 -15.571 5.336 1.00 12.95 C ATOM 738 O ILE A 180 -4.793 -15.931 5.759 1.00 14.98 O ATOM 739 CB ILE A 180 -4.264 -14.057 3.390 1.00 15.80 C ATOM 740 CG1 ILE A 180 -4.010 -13.781 1.946 1.00 20.06 C ATOM 741 CG2 ILE A 180 -3.787 -12.871 4.281 1.00 16.63 C ATOM 742 CD1 ILE A 180 -2.591 -13.622 1.784 1.00 26.00 C ATOM 743 H ILE A 180 -4.816 -16.421 2.500 1.00 0.00 H ATOM 744 N LEU A 181 -2.660 -15.348 6.094 1.00 12.12 N ATOM 745 CA LEU A 181 -2.702 -15.542 7.547 1.00 12.44 C ATOM 746 C LEU A 181 -2.949 -14.244 8.284 1.00 11.67 C ATOM 747 O LEU A 181 -3.584 -14.248 9.346 1.00 11.38 O ATOM 748 CB LEU A 181 -1.386 -16.140 8.013 1.00 12.38 C ATOM 749 CG LEU A 181 -0.973 -17.370 7.287 1.00 16.65 C ATOM 750 CD1 LEU A 181 0.420 -17.751 7.709 1.00 19.45 C ATOM 751 CD2 LEU A 181 -1.937 -18.520 7.514 1.00 18.96 C ATOM 752 H LEU A 181 -1.776 -15.024 5.653 1.00 0.00 H ATOM 753 N ALA A 182 -2.416 -13.136 7.766 1.00 11.06 N ATOM 754 CA ALA A 182 -2.437 -11.857 8.435 1.00 11.07 C ATOM 755 C ALA A 182 -1.941 -10.798 7.468 1.00 11.16 C ATOM 756 O ALA A 182 -1.423 -11.130 6.372 1.00 12.85 O ATOM 757 CB ALA A 182 -1.511 -11.905 9.651 1.00 12.60 C ATOM 758 H ALA A 182 -1.962 -13.197 6.832 1.00 0.00 H ATOM 759 N HIS A 183 -2.171 -9.565 7.788 1.00 11.39 N ATOM 760 CA HIS A 183 -1.573 -8.465 7.015 1.00 11.08 C ATOM 761 C HIS A 183 -1.462 -7.254 7.915 1.00 10.57 C ATOM 762 O HIS A 183 -2.083 -7.163 8.976 1.00 12.30 O ATOM 763 CB HIS A 183 -2.342 -8.140 5.756 1.00 12.37 C ATOM 764 CG HIS A 183 -3.784 -7.739 5.945 1.00 11.86 C ATOM 765 ND1 HIS A 183 -4.793 -8.162 5.080 1.00 15.61 N ATOM 766 CD2 HIS A 183 -4.415 -7.045 6.926 1.00 14.25 C ATOM 767 CE1 HIS A 183 -5.936 -7.650 5.466 1.00 16.03 C ATOM 768 NE2 HIS A 183 -5.745 -6.995 6.606 1.00 14.75 N ATOM 769 H HIS A 183 -2.785 -9.350 8.600 1.00 0.00 H ATOM 770 N ALA A 184 -0.646 -6.296 7.490 1.00 11.12 N ATOM 771 CA ALA A 184 -0.407 -5.122 8.299 1.00 11.67 C ATOM 772 C ALA A 184 -0.125 -3.931 7.383 1.00 12.14 C ATOM 773 O ALA A 184 0.377 -4.106 6.263 1.00 14.37 O ATOM 774 CB ALA A 184 0.786 -5.338 9.207 1.00 11.72 C ATOM 775 H ALA A 184 -0.175 -6.391 6.568 1.00 0.00 H ATOM 776 N PHE A 185 -0.438 -2.747 7.865 1.00 10.81 N ATOM 777 CA PHE A 185 -0.285 -1.530 7.127 1.00 10.48 C ATOM 778 C PHE A 185 0.969 -0.804 7.566 1.00 12.22 C ATOM 779 O PHE A 185 1.306 -0.782 8.735 1.00 12.33 O ATOM 780 CB PHE A 185 -1.500 -0.625 7.301 1.00 12.47 C ATOM 781 CG PHE A 185 -2.756 -1.224 6.772 1.00 13.96 C ATOM 782 CD1 PHE A 185 -3.501 -2.145 7.536 1.00 14.22 C ATOM 783 CD2 PHE A 185 -3.221 -0.908 5.494 1.00 17.49 C ATOM 784 CE1 PHE A 185 -4.654 -2.711 7.002 1.00 17.21 C ATOM 785 CE2 PHE A 185 -4.342 -1.499 4.970 1.00 19.32 C ATOM 786 CZ PHE A 185 -5.088 -2.369 5.739 1.00 19.69 C ATOM 787 H PHE A 185 -0.816 -2.693 8.832 1.00 0.00 H ATOM 788 N GLY A 186 1.673 -0.204 6.591 1.00 12.62 N ATOM 789 CA GLY A 186 2.880 0.537 6.920 1.00 13.48 C ATOM 790 C GLY A 186 2.575 1.736 7.765 1.00 10.60 C ATOM 791 O GLY A 186 1.420 2.143 7.906 1.00 11.90 O ATOM 792 H GLY A 186 1.355 -0.270 5.603 1.00 0.00 H ATOM 793 N PRO A 187 3.635 2.362 8.296 1.00 12.55 N ATOM 794 CA PRO A 187 3.433 3.539 9.155 1.00 12.40 C ATOM 795 C PRO A 187 2.590 4.642 8.525 1.00 12.33 C ATOM 796 O PRO A 187 2.737 4.971 7.356 1.00 16.01 O ATOM 797 CB PRO A 187 4.863 3.992 9.442 1.00 14.15 C ATOM 798 CG PRO A 187 5.721 2.837 9.245 1.00 15.50 C ATOM 799 CD PRO A 187 5.041 1.958 8.194 1.00 14.50 C ATOM 800 N GLY A 188 1.751 5.250 9.349 1.00 13.09 N ATOM 801 CA GLY A 188 0.852 6.253 8.927 1.00 15.58 C ATOM 802 C GLY A 188 -0.216 6.445 9.942 1.00 14.93 C ATOM 803 O GLY A 188 -0.327 5.679 10.892 1.00 15.66 O ATOM 804 H GLY A 188 1.754 4.976 10.352 1.00 0.00 H ATOM 805 N SER A 189 -1.032 7.479 9.753 1.00 17.62 N ATOM 806 CA SER A 189 -2.136 7.731 10.641 1.00 17.99 C ATOM 807 C SER A 189 -3.259 6.703 10.388 1.00 15.10 C ATOM 808 O SER A 189 -3.290 6.017 9.356 1.00 17.29 O ATOM 809 CB SER A 189 -2.645 9.145 10.370 1.00 20.20 C ATOM 810 OG SER A 189 -3.076 9.212 8.997 1.00 24.98 O ATOM 811 HG SER A 189 -3.410 10.123 8.801 1.00 0.00 H ATOM 812 H SER A 189 -0.869 8.117 8.948 1.00 0.00 H ATOM 813 N GLY A 190 -4.195 6.648 11.320 1.00 16.56 N ATOM 814 CA GLY A 190 -5.397 5.858 11.152 1.00 16.44 C ATOM 815 C GLY A 190 -5.042 4.376 11.028 1.00 15.31 C ATOM 816 O GLY A 190 -4.374 3.823 11.878 1.00 15.42 O ATOM 817 H GLY A 190 -4.064 7.188 12.199 1.00 0.00 H ATOM 818 N ILE A 191 -5.439 3.756 9.930 1.00 15.77 N ATOM 819 CA ILE A 191 -5.178 2.367 9.720 1.00 14.48 C ATOM 820 C ILE A 191 -3.710 2.090 9.622 1.00 13.70 C ATOM 821 O ILE A 191 -3.279 0.935 9.774 1.00 13.92 O ATOM 822 CB ILE A 191 -5.976 1.852 8.508 1.00 19.18 C ATOM 823 CG1 ILE A 191 -6.111 0.303 8.589 1.00 25.13 C ATOM 824 CG2 ILE A 191 -5.332 2.296 7.233 1.00 21.48 C ATOM 825 CD1 ILE A 191 -7.035 -0.230 7.557 1.00 28.35 C ATOM 826 H ILE A 191 -5.953 4.292 9.202 1.00 0.00 H ATOM 827 N GLY A 192 -2.900 3.099 9.273 1.00 13.30 N ATOM 828 CA GLY A 192 -1.496 2.859 9.140 1.00 13.75 C ATOM 829 C GLY A 192 -0.926 2.254 10.416 1.00 12.61 C ATOM 830 O GLY A 192 -1.376 2.562 11.522 1.00 12.90 O ATOM 831 H GLY A 192 -3.289 4.048 9.100 1.00 0.00 H ATOM 832 N GLY A 193 0.017 1.325 10.232 1.00 10.95 N ATOM 833 CA GLY A 193 0.583 0.587 11.326 1.00 10.97 C ATOM 834 C GLY A 193 -0.236 -0.622 11.795 1.00 9.40 C ATOM 835 O GLY A 193 0.325 -1.469 12.460 1.00 10.12 O ATOM 836 H GLY A 193 0.351 1.131 9.267 1.00 0.00 H ATOM 837 N ASP A 194 -1.508 -0.674 11.480 1.00 9.74 N ATOM 838 CA ASP A 194 -2.365 -1.660 12.150 1.00 10.60 C ATOM 839 C ASP A 194 -2.020 -3.022 11.620 1.00 10.89 C ATOM 840 O ASP A 194 -1.660 -3.211 10.468 1.00 11.17 O ATOM 841 CB ASP A 194 -3.837 -1.322 11.995 1.00 12.37 C ATOM 842 CG ASP A 194 -4.250 -0.035 12.717 1.00 12.78 C ATOM 843 OD1 ASP A 194 -3.400 0.657 13.380 1.00 12.54 O ATOM 844 OD2 ASP A 194 -5.395 0.360 12.550 1.00 13.11 O ATOM 845 H ASP A 194 -1.903 -0.028 10.767 1.00 0.00 H ATOM 846 N ALA A 195 -2.199 -4.050 12.503 1.00 10.46 N ATOM 847 CA ALA A 195 -1.896 -5.437 12.176 1.00 10.82 C ATOM 848 C ALA A 195 -3.105 -6.299 12.416 1.00 11.75 C ATOM 849 O ALA A 195 -3.671 -6.283 13.483 1.00 11.60 O ATOM 850 CB ALA A 195 -0.707 -5.933 12.992 1.00 11.21 C ATOM 851 H ALA A 195 -2.568 -3.832 13.451 1.00 0.00 H ATOM 852 N HIS A 196 -3.518 -7.040 11.385 1.00 10.20 N ATOM 853 CA HIS A 196 -4.747 -7.822 11.429 1.00 10.43 C ATOM 854 C HIS A 196 -4.402 -9.275 11.208 1.00 10.91 C ATOM 855 O HIS A 196 -3.639 -9.646 10.295 1.00 11.70 O ATOM 856 CB HIS A 196 -5.684 -7.422 10.320 1.00 12.69 C ATOM 857 CG HIS A 196 -6.150 -5.987 10.368 1.00 11.71 C ATOM 858 ND1 HIS A 196 -6.863 -5.388 9.344 1.00 12.60 N ATOM 859 CD2 HIS A 196 -5.998 -5.033 11.323 1.00 11.00 C ATOM 860 CE1 HIS A 196 -7.144 -4.148 9.678 1.00 13.24 C ATOM 861 NE2 HIS A 196 -6.661 -3.916 10.895 1.00 13.14 N ATOM 862 H HIS A 196 -2.942 -7.060 10.519 1.00 0.00 H ATOM 863 N PHE A 197 -4.973 -10.120 12.053 1.00 9.38 N ATOM 864 CA PHE A 197 -4.733 -11.556 11.999 1.00 10.05 C ATOM 865 C PHE A 197 -6.025 -12.268 11.633 1.00 10.02 C ATOM 866 O PHE A 197 -7.072 -12.007 12.208 1.00 11.03 O ATOM 867 CB PHE A 197 -4.169 -12.019 13.340 1.00 9.57 C ATOM 868 CG PHE A 197 -2.859 -11.371 13.668 1.00 8.86 C ATOM 869 CD1 PHE A 197 -2.818 -10.083 14.180 1.00 10.82 C ATOM 870 CD2 PHE A 197 -1.673 -12.020 13.403 1.00 9.55 C ATOM 871 CE1 PHE A 197 -1.609 -9.467 14.446 1.00 9.63 C ATOM 872 CE2 PHE A 197 -0.464 -11.411 13.665 1.00 10.87 C ATOM 873 CZ PHE A 197 -0.432 -10.132 14.188 1.00 11.70 C ATOM 874 H PHE A 197 -5.615 -9.745 12.780 1.00 0.00 H ATOM 875 N ASP A 198 -5.939 -13.174 10.671 1.00 9.67 N ATOM 876 CA ASP A 198 -7.125 -13.861 10.209 1.00 9.84 C ATOM 877 C ASP A 198 -7.600 -14.845 11.272 1.00 10.51 C ATOM 878 O ASP A 198 -6.919 -15.797 11.611 1.00 10.02 O ATOM 879 CB ASP A 198 -6.771 -14.583 8.906 1.00 11.19 C ATOM 880 CG ASP A 198 -7.959 -15.225 8.233 1.00 12.30 C ATOM 881 OD1 ASP A 198 -9.072 -15.206 8.771 1.00 11.90 O ATOM 882 OD2 ASP A 198 -7.748 -15.753 7.136 1.00 13.81 O ATOM 883 H ASP A 198 -5.015 -13.392 10.246 1.00 0.00 H ATOM 884 N GLU A 199 -8.811 -14.604 11.752 1.00 9.39 N ATOM 885 CA GLU A 199 -9.405 -15.445 12.781 1.00 9.25 C ATOM 886 C GLU A 199 -9.668 -16.855 12.260 1.00 10.69 C ATOM 887 O GLU A 199 -9.791 -17.791 13.044 1.00 11.36 O ATOM 888 CB GLU A 199 -10.664 -14.816 13.367 1.00 9.99 C ATOM 889 CG GLU A 199 -11.140 -15.507 14.642 1.00 9.81 C ATOM 890 CD GLU A 199 -10.055 -15.581 15.703 1.00 10.37 C ATOM 891 OE1 GLU A 199 -9.832 -14.562 16.369 1.00 13.34 O ATOM 892 OE2 GLU A 199 -9.429 -16.644 15.878 1.00 10.14 O ATOM 893 H GLU A 199 -9.350 -13.794 11.385 1.00 0.00 H ATOM 894 N ASP A 200 -9.808 -17.007 10.945 1.00 11.88 N ATOM 895 CA ASP A 200 -10.029 -18.327 10.442 1.00 11.31 C ATOM 896 C ASP A 200 -8.833 -19.207 10.512 1.00 12.02 C ATOM 897 O ASP A 200 -8.942 -20.414 10.225 1.00 13.96 O ATOM 898 CB ASP A 200 -10.611 -18.267 9.035 1.00 12.77 C ATOM 899 CG ASP A 200 -12.043 -17.860 9.005 1.00 13.92 C ATOM 900 OD1 ASP A 200 -12.755 -18.229 9.961 1.00 16.70 O ATOM 901 OD2 ASP A 200 -12.547 -17.239 8.049 1.00 14.28 O ATOM 902 H ASP A 200 -9.758 -16.190 10.303 1.00 0.00 H ATOM 903 N GLU A 201 -7.655 -18.671 10.902 1.00 10.60 N ATOM 904 CA GLU A 201 -6.531 -19.492 11.255 1.00 12.10 C ATOM 905 C GLU A 201 -6.689 -19.905 12.716 1.00 10.58 C ATOM 906 O GLU A 201 -7.493 -19.327 13.446 1.00 11.78 O ATOM 907 CB GLU A 201 -5.214 -18.766 11.045 1.00 12.03 C ATOM 908 CG GLU A 201 -5.065 -18.066 9.794 1.00 12.93 C ATOM 909 CD GLU A 201 -5.428 -18.858 8.603 1.00 15.44 C ATOM 910 OE1 GLU A 201 -5.221 -20.088 8.575 1.00 16.82 O ATOM 911 OE2 GLU A 201 -5.866 -18.200 7.608 1.00 20.59 O ATOM 912 H GLU A 201 -7.560 -17.636 10.948 1.00 0.00 H ATOM 913 N PHE A 202 -5.917 -20.910 13.118 1.00 9.80 N ATOM 914 CA PHE A 202 -5.894 -21.359 14.500 1.00 10.03 C ATOM 915 C PHE A 202 -4.573 -20.955 15.091 1.00 10.11 C ATOM 916 O PHE A 202 -3.548 -21.608 14.837 1.00 11.93 O ATOM 917 CB PHE A 202 -6.195 -22.873 14.637 1.00 10.79 C ATOM 918 CG PHE A 202 -6.230 -23.313 16.056 1.00 12.78 C ATOM 919 CD1 PHE A 202 -7.240 -22.859 16.866 1.00 11.76 C ATOM 920 CD2 PHE A 202 -5.225 -24.117 16.567 1.00 15.66 C ATOM 921 CE1 PHE A 202 -7.299 -23.237 18.218 1.00 13.81 C ATOM 922 CE2 PHE A 202 -5.269 -24.482 17.970 1.00 15.21 C ATOM 923 CZ PHE A 202 -6.299 -23.974 18.758 1.00 16.21 C ATOM 924 H PHE A 202 -5.311 -21.390 12.422 1.00 0.00 H ATOM 925 N TRP A 203 -4.572 -19.896 15.903 1.00 10.40 N ATOM 926 CA TRP A 203 -3.388 -19.309 16.422 1.00 9.83 C ATOM 927 C TRP A 203 -2.938 -20.081 17.654 1.00 10.37 C ATOM 928 O TRP A 203 -3.773 -20.490 18.461 1.00 11.22 O ATOM 929 CB TRP A 203 -3.701 -17.865 16.809 1.00 10.16 C ATOM 930 CG TRP A 203 -4.125 -17.087 15.598 1.00 9.99 C ATOM 931 CD1 TRP A 203 -5.376 -16.761 15.250 1.00 9.58 C ATOM 932 CD2 TRP A 203 -3.292 -16.706 14.522 1.00 10.81 C ATOM 933 NE1 TRP A 203 -5.394 -16.130 14.015 1.00 11.08 N ATOM 934 CE2 TRP A 203 -4.107 -16.106 13.569 1.00 10.04 C ATOM 935 CE3 TRP A 203 -1.914 -16.778 14.300 1.00 11.51 C ATOM 936 CZ2 TRP A 203 -3.566 -15.601 12.343 1.00 9.80 C ATOM 937 CZ3 TRP A 203 -1.391 -16.216 13.147 1.00 9.48 C ATOM 938 CH2 TRP A 203 -2.232 -15.695 12.165 1.00 10.16 C ATOM 939 HE1 TRP A 203 -6.228 -15.749 13.525 1.00 0.00 H ATOM 940 H TRP A 203 -5.487 -19.479 16.170 1.00 0.00 H ATOM 941 N THR A 204 -1.635 -20.277 17.799 1.00 10.94 N ATOM 942 CA THR A 204 -1.081 -20.974 18.942 1.00 10.72 C ATOM 943 C THR A 204 0.212 -20.409 19.450 1.00 10.74 C ATOM 944 O THR A 204 0.882 -19.577 18.765 1.00 12.31 O ATOM 945 CB THR A 204 -0.847 -22.482 18.669 1.00 13.35 C ATOM 946 OG1 THR A 204 0.368 -22.607 17.946 1.00 16.60 O ATOM 947 CG2 THR A 204 -2.028 -23.126 17.923 1.00 15.06 C ATOM 948 HG1 THR A 204 0.542 -23.563 17.758 1.00 0.00 H ATOM 949 H THR A 204 -0.989 -19.918 17.068 1.00 0.00 H ATOM 950 N THR A 205 0.618 -20.846 20.614 1.00 10.77 N ATOM 951 CA THR A 205 1.897 -20.579 21.212 1.00 13.23 C ATOM 952 C THR A 205 2.991 -21.519 20.750 1.00 14.15 C ATOM 953 O THR A 205 4.129 -21.307 21.117 1.00 16.61 O ATOM 954 CB THR A 205 1.833 -20.704 22.745 1.00 13.46 C ATOM 955 OG1 THR A 205 1.481 -22.043 23.071 1.00 15.92 O ATOM 956 CG2 THR A 205 0.844 -19.760 23.348 1.00 14.15 C ATOM 957 HG1 THR A 205 2.165 -22.660 22.708 1.00 0.00 H ATOM 958 H THR A 205 -0.043 -21.439 21.155 1.00 0.00 H ATOM 959 N HIS A 206 2.663 -22.535 19.932 1.00 14.31 N ATOM 960 CA HIS A 206 3.612 -23.558 19.622 1.00 15.01 C ATOM 961 C HIS A 206 3.640 -23.866 18.141 1.00 15.71 C ATOM 962 O HIS A 206 3.342 -22.993 17.343 1.00 14.26 O ATOM 963 CB HIS A 206 3.288 -24.817 20.455 1.00 17.10 C ATOM 964 CG HIS A 206 1.856 -25.181 20.451 1.00 17.36 C ATOM 965 ND1 HIS A 206 1.266 -25.912 19.454 1.00 16.84 N ATOM 966 CD2 HIS A 206 0.874 -24.900 21.340 1.00 17.26 C ATOM 967 CE1 HIS A 206 -0.015 -26.067 19.728 1.00 19.83 C ATOM 968 NE2 HIS A 206 -0.278 -25.469 20.863 1.00 17.23 N ATOM 969 H HIS A 206 1.709 -22.577 19.521 1.00 0.00 H ATOM 970 N SER A 207 4.017 -25.119 17.752 1.00 17.61 N ATOM 971 CA SER A 207 4.156 -25.468 16.342 1.00 17.84 C ATOM 972 C SER A 207 2.861 -25.928 15.702 1.00 20.14 C ATOM 973 O SER A 207 2.794 -26.084 14.504 1.00 21.13 O ATOM 974 CB SER A 207 5.198 -26.544 16.108 1.00 17.84 C ATOM 975 OG SER A 207 4.799 -27.763 16.732 1.00 20.25 O ATOM 976 HG SER A 207 3.935 -28.060 16.351 1.00 0.00 H ATOM 977 H SER A 207 4.209 -25.840 18.476 1.00 0.00 H ATOM 978 N GLY A 208 1.838 -26.136 16.500 1.00 17.11 N ATOM 979 CA GLY A 208 0.549 -26.466 15.972 1.00 17.48 C ATOM 980 C GLY A 208 -0.119 -25.222 15.433 1.00 16.50 C ATOM 981 O GLY A 208 0.256 -24.075 15.806 1.00 18.79 O ATOM 982 H GLY A 208 1.967 -26.060 17.529 1.00 0.00 H ATOM 983 N GLY A 209 -1.095 -25.391 14.581 1.00 16.24 N ATOM 984 CA GLY A 209 -1.808 -24.278 14.026 1.00 13.70 C ATOM 985 C GLY A 209 -0.843 -23.288 13.365 1.00 14.05 C ATOM 986 O GLY A 209 0.136 -23.712 12.743 1.00 16.27 O ATOM 987 H GLY A 209 -1.361 -26.356 14.299 1.00 0.00 H ATOM 988 N THR A 210 -1.110 -21.996 13.504 1.00 12.00 N ATOM 989 CA THR A 210 -0.203 -20.959 13.038 1.00 11.72 C ATOM 990 C THR A 210 0.327 -20.244 14.277 1.00 11.40 C ATOM 991 O THR A 210 -0.461 -19.793 15.127 1.00 11.44 O ATOM 992 CB THR A 210 -0.956 -19.987 12.146 1.00 13.18 C ATOM 993 OG1 THR A 210 -1.570 -20.691 11.099 1.00 14.10 O ATOM 994 CG2 THR A 210 0.026 -18.928 11.548 1.00 14.13 C ATOM 995 HG1 THR A 210 -0.878 -21.159 10.567 1.00 0.00 H ATOM 996 H THR A 210 -2.000 -21.715 13.963 1.00 0.00 H ATOM 997 N ASN A 211 1.637 -20.105 14.374 1.00 11.20 N ATOM 998 CA ASN A 211 2.237 -19.529 15.582 1.00 11.90 C ATOM 999 C ASN A 211 2.028 -18.017 15.569 1.00 9.95 C ATOM 1000 O ASN A 211 2.495 -17.334 14.654 1.00 11.60 O ATOM 1001 CB ASN A 211 3.674 -19.872 15.658 1.00 12.56 C ATOM 1002 CG ASN A 211 4.308 -19.419 16.918 1.00 14.32 C ATOM 1003 OD1 ASN A 211 4.840 -18.312 16.987 1.00 14.01 O ATOM 1004 ND2 ASN A 211 4.243 -20.237 17.944 1.00 12.76 N ATOM 1005 HD22 ASN A 211 3.784 -21.164 17.841 1.00 0.00 H ATOM 1006 HD21 ASN A 211 4.651 -19.957 18.859 1.00 0.00 H ATOM 1007 H ASN A 211 2.248 -20.406 13.588 1.00 0.00 H ATOM 1008 N LEU A 212 1.341 -17.491 16.578 1.00 9.23 N ATOM 1009 CA LEU A 212 1.044 -16.081 16.614 1.00 9.55 C ATOM 1010 C LEU A 212 2.278 -15.237 16.777 1.00 10.33 C ATOM 1011 O LEU A 212 2.439 -14.216 16.056 1.00 11.48 O ATOM 1012 CB LEU A 212 0.105 -15.791 17.770 1.00 10.26 C ATOM 1013 CG LEU A 212 -0.259 -14.309 17.999 1.00 11.53 C ATOM 1014 CD1 LEU A 212 -0.883 -13.759 16.723 1.00 11.44 C ATOM 1015 CD2 LEU A 212 -1.183 -14.113 19.228 1.00 11.40 C ATOM 1016 H LEU A 212 1.014 -18.105 17.351 1.00 0.00 H ATOM 1017 N PHE A 213 3.199 -15.626 17.657 1.00 9.46 N ATOM 1018 CA PHE A 213 4.426 -14.846 17.857 1.00 9.56 C ATOM 1019 C PHE A 213 5.172 -14.682 16.548 1.00 10.63 C ATOM 1020 O PHE A 213 5.503 -13.537 16.143 1.00 11.36 O ATOM 1021 CB PHE A 213 5.350 -15.529 18.896 1.00 11.14 C ATOM 1022 CG PHE A 213 6.762 -15.059 18.869 1.00 10.37 C ATOM 1023 CD1 PHE A 213 7.067 -13.789 19.374 1.00 11.06 C ATOM 1024 CD2 PHE A 213 7.773 -15.762 18.238 1.00 12.05 C ATOM 1025 CE1 PHE A 213 8.370 -13.325 19.368 1.00 10.66 C ATOM 1026 CE2 PHE A 213 9.042 -15.293 18.229 1.00 13.89 C ATOM 1027 CZ PHE A 213 9.356 -14.088 18.796 1.00 12.39 C ATOM 1028 H PHE A 213 3.047 -16.494 18.210 1.00 0.00 H ATOM 1029 N LEU A 214 5.439 -15.758 15.847 1.00 10.81 N ATOM 1030 CA LEU A 214 6.217 -15.643 14.596 1.00 10.26 C ATOM 1031 C LEU A 214 5.496 -14.811 13.573 1.00 10.82 C ATOM 1032 O LEU A 214 6.131 -13.980 12.865 1.00 11.78 O ATOM 1033 CB LEU A 214 6.512 -17.010 14.014 1.00 13.83 C ATOM 1034 CG LEU A 214 7.484 -17.922 14.780 1.00 15.58 C ATOM 1035 CD1 LEU A 214 7.528 -19.324 14.175 1.00 16.26 C ATOM 1036 CD2 LEU A 214 8.843 -17.306 14.863 1.00 15.55 C ATOM 1037 H LEU A 214 5.105 -16.688 16.170 1.00 0.00 H ATOM 1038 N THR A 215 4.189 -14.986 13.445 1.00 10.53 N ATOM 1039 CA THR A 215 3.403 -14.222 12.506 1.00 10.17 C ATOM 1040 C THR A 215 3.433 -12.723 12.877 1.00 11.31 C ATOM 1041 O THR A 215 3.546 -11.848 12.001 1.00 11.92 O ATOM 1042 CB THR A 215 1.982 -14.775 12.375 1.00 11.27 C ATOM 1043 OG1 THR A 215 2.025 -16.162 12.062 1.00 11.57 O ATOM 1044 CG2 THR A 215 1.210 -14.040 11.285 1.00 11.23 C ATOM 1045 HG1 THR A 215 2.498 -16.647 12.783 1.00 0.00 H ATOM 1046 H THR A 215 3.715 -15.696 14.039 1.00 0.00 H ATOM 1047 N ALA A 216 3.302 -12.445 14.182 1.00 10.42 N ATOM 1048 CA ALA A 216 3.312 -11.080 14.611 1.00 10.05 C ATOM 1049 C ALA A 216 4.664 -10.414 14.391 1.00 9.21 C ATOM 1050 O ALA A 216 4.705 -9.244 14.097 1.00 10.12 O ATOM 1051 CB ALA A 216 2.915 -10.961 16.065 1.00 10.57 C ATOM 1052 H ALA A 216 3.194 -13.213 14.875 1.00 0.00 H ATOM 1053 N VAL A 217 5.781 -11.153 14.543 1.00 9.32 N ATOM 1054 CA VAL A 217 7.071 -10.545 14.269 1.00 9.68 C ATOM 1055 C VAL A 217 7.057 -10.063 12.858 1.00 10.08 C ATOM 1056 O VAL A 217 7.443 -8.934 12.564 1.00 10.40 O ATOM 1057 CB VAL A 217 8.235 -11.540 14.499 1.00 11.21 C ATOM 1058 CG1 VAL A 217 9.541 -10.910 14.016 1.00 13.42 C ATOM 1059 CG2 VAL A 217 8.362 -11.894 15.962 1.00 12.29 C ATOM 1060 H VAL A 217 5.720 -12.144 14.852 1.00 0.00 H ATOM 1061 N HIS A 218 6.638 -10.940 11.935 1.00 10.15 N ATOM 1062 CA HIS A 218 6.606 -10.554 10.535 1.00 9.90 C ATOM 1063 C HIS A 218 5.646 -9.360 10.290 1.00 10.09 C ATOM 1064 O HIS A 218 6.056 -8.370 9.618 1.00 11.12 O ATOM 1065 CB HIS A 218 6.093 -11.747 9.733 1.00 9.90 C ATOM 1066 CG HIS A 218 5.970 -11.510 8.251 1.00 11.29 C ATOM 1067 ND1 HIS A 218 6.946 -11.910 7.363 1.00 12.94 N ATOM 1068 CD2 HIS A 218 4.979 -10.975 7.543 1.00 11.39 C ATOM 1069 CE1 HIS A 218 6.539 -11.601 6.132 1.00 12.29 C ATOM 1070 NE2 HIS A 218 5.364 -11.014 6.215 1.00 13.14 N ATOM 1071 H HIS A 218 6.337 -11.894 12.220 1.00 0.00 H ATOM 1072 N GLU A 219 4.439 -9.407 10.799 1.00 10.13 N ATOM 1073 CA GLU A 219 3.473 -8.324 10.568 1.00 9.71 C ATOM 1074 C GLU A 219 3.945 -7.007 11.136 1.00 10.84 C ATOM 1075 O GLU A 219 3.818 -5.961 10.491 1.00 9.28 O ATOM 1076 CB GLU A 219 2.076 -8.669 11.024 1.00 11.08 C ATOM 1077 CG GLU A 219 1.471 -9.873 10.318 1.00 12.49 C ATOM 1078 CD GLU A 219 1.487 -9.738 8.810 1.00 15.27 C ATOM 1079 OE1 GLU A 219 1.583 -10.777 8.091 1.00 17.40 O ATOM 1080 OE2 GLU A 219 1.431 -8.566 8.309 1.00 15.57 O ATOM 1081 H GLU A 219 4.160 -10.226 11.377 1.00 0.00 H ATOM 1082 N ILE A 220 4.501 -7.054 12.357 1.00 10.36 N ATOM 1083 CA ILE A 220 5.017 -5.834 12.965 1.00 9.62 C ATOM 1084 C ILE A 220 6.127 -5.245 12.122 1.00 8.67 C ATOM 1085 O ILE A 220 6.289 -4.044 12.007 1.00 10.82 O ATOM 1086 CB ILE A 220 5.390 -6.046 14.421 1.00 11.71 C ATOM 1087 CG1 ILE A 220 4.147 -6.263 15.276 1.00 10.45 C ATOM 1088 CG2 ILE A 220 6.151 -4.844 15.029 1.00 12.81 C ATOM 1089 CD1 ILE A 220 4.372 -6.973 16.619 1.00 12.18 C ATOM 1090 H ILE A 220 4.563 -7.958 12.867 1.00 0.00 H ATOM 1091 N GLY A 221 6.944 -6.111 11.502 1.00 8.17 N ATOM 1092 CA GLY A 221 7.927 -5.578 10.576 1.00 9.34 C ATOM 1093 C GLY A 221 7.293 -4.722 9.512 1.00 9.63 C ATOM 1094 O GLY A 221 7.801 -3.627 9.228 1.00 11.11 O ATOM 1095 H GLY A 221 6.875 -7.133 11.680 1.00 0.00 H ATOM 1096 N HIS A 222 6.140 -5.145 9.000 1.00 9.80 N ATOM 1097 CA HIS A 222 5.404 -4.313 8.052 1.00 10.47 C ATOM 1098 C HIS A 222 4.853 -3.051 8.729 1.00 9.91 C ATOM 1099 O HIS A 222 4.907 -1.959 8.160 1.00 12.24 O ATOM 1100 CB HIS A 222 4.256 -5.069 7.423 1.00 10.35 C ATOM 1101 CG HIS A 222 4.665 -6.184 6.519 1.00 11.83 C ATOM 1102 ND1 HIS A 222 5.621 -6.024 5.537 1.00 12.82 N ATOM 1103 CD2 HIS A 222 4.183 -7.435 6.410 1.00 11.17 C ATOM 1104 CE1 HIS A 222 5.738 -7.175 4.870 1.00 12.59 C ATOM 1105 NE2 HIS A 222 4.849 -8.040 5.361 1.00 11.85 N ATOM 1106 H HIS A 222 5.761 -6.073 9.276 1.00 0.00 H ATOM 1107 N SER A 223 4.347 -3.196 9.952 1.00 9.15 N ATOM 1108 CA SER A 223 3.854 -2.032 10.685 1.00 9.18 C ATOM 1109 C SER A 223 4.934 -0.984 10.914 1.00 11.00 C ATOM 1110 O SER A 223 4.605 0.190 11.174 1.00 13.11 O ATOM 1111 CB SER A 223 3.319 -2.458 12.066 1.00 9.56 C ATOM 1112 OG SER A 223 2.234 -3.330 11.956 1.00 10.69 O ATOM 1113 HG SER A 223 1.501 -2.883 11.463 1.00 0.00 H ATOM 1114 H SER A 223 4.303 -4.140 10.387 1.00 0.00 H ATOM 1115 N LEU A 224 6.173 -1.395 10.913 1.00 9.57 N ATOM 1116 CA LEU A 224 7.325 -0.499 11.077 1.00 10.09 C ATOM 1117 C LEU A 224 7.848 0.021 9.718 1.00 10.06 C ATOM 1118 O LEU A 224 8.733 0.904 9.727 1.00 12.85 O ATOM 1119 CB LEU A 224 8.448 -1.134 11.871 1.00 11.86 C ATOM 1120 CG LEU A 224 7.994 -1.622 13.252 1.00 10.60 C ATOM 1121 CD1 LEU A 224 9.160 -2.239 13.994 1.00 10.81 C ATOM 1122 CD2 LEU A 224 7.305 -0.506 14.013 1.00 12.34 C ATOM 1123 H LEU A 224 6.354 -2.412 10.789 1.00 0.00 H ATOM 1124 N GLY A 225 7.384 -0.537 8.604 1.00 10.93 N ATOM 1125 CA GLY A 225 7.753 -0.045 7.277 1.00 11.01 C ATOM 1126 C GLY A 225 8.562 -1.004 6.442 1.00 11.73 C ATOM 1127 O GLY A 225 8.992 -0.601 5.335 1.00 13.35 O ATOM 1128 H GLY A 225 6.738 -1.349 8.679 1.00 0.00 H ATOM 1129 N LEU A 226 8.853 -2.213 6.910 1.00 10.44 N ATOM 1130 CA LEU A 226 9.632 -3.191 6.170 1.00 12.76 C ATOM 1131 C LEU A 226 8.774 -3.818 5.113 1.00 13.61 C ATOM 1132 O LEU A 226 7.547 -4.018 5.291 1.00 14.10 O ATOM 1133 CB LEU A 226 10.158 -4.285 7.074 1.00 13.53 C ATOM 1134 CG LEU A 226 11.301 -3.965 7.989 1.00 14.82 C ATOM 1135 CD1 LEU A 226 11.714 -5.178 8.816 1.00 18.60 C ATOM 1136 CD2 LEU A 226 12.525 -3.447 7.204 1.00 17.42 C ATOM 1137 H LEU A 226 8.505 -2.473 7.855 1.00 0.00 H ATOM 1138 N GLY A 227 9.400 -4.148 3.998 1.00 12.42 N ATOM 1139 CA GLY A 227 8.780 -4.952 2.931 1.00 13.47 C ATOM 1140 C GLY A 227 9.155 -6.394 3.077 1.00 17.36 C ATOM 1141 O GLY A 227 9.363 -6.882 4.159 1.00 19.18 O ATOM 1142 H GLY A 227 10.380 -3.824 3.867 1.00 0.00 H ATOM 1143 N HIS A 228 9.148 -7.137 1.994 1.00 14.28 N ATOM 1144 CA HIS A 228 9.531 -8.510 2.050 1.00 14.64 C ATOM 1145 C HIS A 228 10.939 -8.728 1.601 1.00 14.08 C ATOM 1146 O HIS A 228 11.429 -8.055 0.667 1.00 15.11 O ATOM 1147 CB HIS A 228 8.633 -9.354 1.156 1.00 16.05 C ATOM 1148 CG HIS A 228 7.301 -9.627 1.744 1.00 15.34 C ATOM 1149 ND1 HIS A 228 6.192 -9.780 0.982 1.00 18.62 N ATOM 1150 CD2 HIS A 228 6.901 -9.774 3.036 1.00 14.85 C ATOM 1151 CE1 HIS A 228 5.143 -10.019 1.766 1.00 21.30 C ATOM 1152 NE2 HIS A 228 5.549 -9.968 3.009 1.00 14.26 N ATOM 1153 H HIS A 228 8.860 -6.720 1.086 1.00 0.00 H ATOM 1154 N SER A 229 11.546 -9.740 2.193 1.00 17.57 N ATOM 1155 CA SER A 229 12.907 -10.204 1.890 1.00 20.13 C ATOM 1156 C SER A 229 12.841 -11.409 0.974 1.00 15.43 C ATOM 1157 O SER A 229 11.930 -12.262 1.097 1.00 16.57 O ATOM 1158 CB SER A 229 13.604 -10.617 3.178 1.00 24.10 C ATOM 1159 OG SER A 229 14.815 -11.176 2.902 1.00 23.14 O ATOM 1160 HG SER A 229 15.380 -10.518 2.425 1.00 0.00 H ATOM 1161 H SER A 229 11.020 -10.249 2.932 1.00 0.00 H ATOM 1162 N SER A 230 13.807 -11.517 0.040 1.00 21.40 N ATOM 1163 CA SER A 230 13.886 -12.723 -0.759 1.00 21.46 C ATOM 1164 C SER A 230 14.599 -13.874 -0.060 1.00 23.67 C ATOM 1165 O SER A 230 14.705 -14.939 -0.625 1.00 23.18 O ATOM 1166 CB SER A 230 14.627 -12.423 -2.071 1.00 25.97 C ATOM 1167 OG SER A 230 15.928 -11.992 -1.712 1.00 24.61 O ATOM 1168 HG SER A 230 15.862 -11.180 -1.150 1.00 0.00 H ATOM 1169 H SER A 230 14.487 -10.744 -0.105 1.00 0.00 H ATOM 1170 N ASP A 231 15.117 -13.665 1.149 1.00 21.57 N ATOM 1171 CA ASP A 231 15.930 -14.679 1.831 1.00 22.14 C ATOM 1172 C ASP A 231 15.041 -15.561 2.660 1.00 21.83 C ATOM 1173 O ASP A 231 14.405 -15.064 3.575 1.00 22.06 O ATOM 1174 CB ASP A 231 16.918 -13.950 2.690 1.00 22.35 C ATOM 1175 CG ASP A 231 17.794 -14.905 3.561 1.00 25.91 C ATOM 1176 OD1 ASP A 231 17.516 -16.127 3.597 1.00 31.65 O ATOM 1177 OD2 ASP A 231 18.700 -14.368 4.198 1.00 34.25 O ATOM 1178 H ASP A 231 14.940 -12.757 1.624 1.00 0.00 H ATOM 1179 N PRO A 232 15.030 -16.881 2.428 1.00 23.11 N ATOM 1180 CA PRO A 232 14.141 -17.773 3.197 1.00 25.23 C ATOM 1181 C PRO A 232 14.456 -17.806 4.704 1.00 20.59 C ATOM 1182 O PRO A 232 13.612 -18.288 5.476 1.00 33.21 O ATOM 1183 CB PRO A 232 14.379 -19.158 2.582 1.00 26.39 C ATOM 1184 CG PRO A 232 14.964 -18.875 1.244 1.00 29.60 C ATOM 1185 CD PRO A 232 15.799 -17.648 1.411 1.00 26.99 C ATOM 1186 N LYS A 233 15.621 -17.342 5.110 1.00 20.80 N ATOM 1187 CA LYS A 233 15.991 -17.338 6.530 1.00 24.23 C ATOM 1188 C LYS A 233 15.472 -16.088 7.228 1.00 24.25 C ATOM 1189 O LYS A 233 15.571 -15.994 8.464 1.00 28.00 O ATOM 1190 CB LYS A 233 17.473 -17.363 6.736 1.00 28.48 C ATOM 1191 CG LYS A 233 18.197 -18.623 6.201 1.00 31.50 C ATOM 1192 CD LYS A 233 19.694 -18.513 6.495 1.00 40.96 C ATOM 1193 CE LYS A 233 20.288 -17.190 5.984 1.00 51.91 C ATOM 1194 NZ LYS A 233 20.213 -17.029 4.494 1.00 60.24 N ATOM 1195 HZ1 LYS A 233 20.738 -17.801 4.036 1.00 0.00 H ATOM 1196 HZ2 LYS A 233 19.218 -17.058 4.193 1.00 0.00 H ATOM 1197 HZ3 LYS A 233 20.631 -16.116 4.224 1.00 0.00 H ATOM 1198 H LYS A 233 16.293 -16.971 4.408 1.00 0.00 H ATOM 1199 N ALA A 234 14.965 -15.121 6.483 1.00 21.78 N ATOM 1200 CA ALA A 234 14.470 -13.866 7.087 1.00 20.19 C ATOM 1201 C ALA A 234 13.100 -14.032 7.588 1.00 17.64 C ATOM 1202 O ALA A 234 12.237 -14.705 6.988 1.00 17.12 O ATOM 1203 CB ALA A 234 14.493 -12.720 6.025 1.00 20.58 C ATOM 1204 H ALA A 234 14.913 -15.246 5.452 1.00 0.00 H ATOM 1205 N VAL A 235 12.812 -13.359 8.728 1.00 17.58 N ATOM 1206 CA VAL A 235 11.443 -13.361 9.199 1.00 17.15 C ATOM 1207 C VAL A 235 10.489 -12.643 8.224 1.00 13.98 C ATOM 1208 O VAL A 235 9.312 -12.956 8.153 1.00 13.48 O ATOM 1209 CB VAL A 235 11.312 -12.817 10.613 1.00 16.37 C ATOM 1210 CG1 VAL A 235 11.368 -11.307 10.653 1.00 16.42 C ATOM 1211 CG2 VAL A 235 10.036 -13.324 11.205 1.00 19.06 C ATOM 1212 H VAL A 235 13.555 -12.854 9.251 1.00 0.00 H ATOM 1213 N MET A 236 11.046 -11.667 7.470 1.00 14.87 N ATOM 1214 CA MET A 236 10.302 -10.946 6.442 1.00 14.79 C ATOM 1215 C MET A 236 10.194 -11.673 5.132 1.00 17.36 C ATOM 1216 O MET A 236 9.658 -11.087 4.162 1.00 16.13 O ATOM 1217 CB MET A 236 10.905 -9.523 6.251 1.00 14.66 C ATOM 1218 CG MET A 236 10.799 -8.668 7.490 1.00 14.09 C ATOM 1219 SD MET A 236 9.232 -8.679 8.366 1.00 13.95 S ATOM 1220 CE MET A 236 8.087 -8.115 7.088 1.00 12.88 C ATOM 1221 H MET A 236 12.044 -11.421 7.629 1.00 0.00 H ATOM 1222 N PHE A 237 10.588 -12.943 5.065 1.00 18.49 N ATOM 1223 CA PHE A 237 10.335 -13.755 3.878 1.00 20.77 C ATOM 1224 C PHE A 237 8.851 -13.964 3.756 1.00 24.88 C ATOM 1225 O PHE A 237 8.124 -13.969 4.792 1.00 29.26 O ATOM 1226 CB PHE A 237 11.041 -15.091 4.017 1.00 19.53 C ATOM 1227 CG PHE A 237 11.019 -15.965 2.775 1.00 19.41 C ATOM 1228 CD1 PHE A 237 11.678 -15.580 1.640 1.00 19.02 C ATOM 1229 CD2 PHE A 237 10.358 -17.148 2.771 1.00 18.63 C ATOM 1230 CE1 PHE A 237 11.687 -16.436 0.485 1.00 16.83 C ATOM 1231 CE2 PHE A 237 10.371 -17.976 1.655 1.00 21.07 C ATOM 1232 CZ PHE A 237 11.012 -17.556 0.519 1.00 20.28 C ATOM 1233 H PHE A 237 11.086 -13.365 5.874 1.00 0.00 H ATOM 1234 N PRO A 238 8.313 -13.967 2.526 1.00 22.02 N ATOM 1235 CA PRO A 238 6.888 -13.926 2.390 1.00 31.33 C ATOM 1236 C PRO A 238 6.149 -15.145 2.909 1.00 30.71 C ATOM 1237 O PRO A 238 4.946 -15.036 3.054 1.00 47.58 O ATOM 1238 CB PRO A 238 6.699 -13.762 0.871 1.00 27.25 C ATOM 1239 CG PRO A 238 7.938 -13.061 0.447 1.00 30.44 C ATOM 1240 CD PRO A 238 9.007 -13.619 1.287 1.00 25.08 C ATOM 1241 N THR A 239 6.834 -16.245 3.192 1.00 35.12 N ATOM 1242 CA THR A 239 6.248 -17.551 3.466 1.00 34.31 C ATOM 1243 C THR A 239 6.415 -17.963 4.898 1.00 30.30 C ATOM 1244 O THR A 239 7.525 -17.952 5.464 1.00 32.35 O ATOM 1245 CB THR A 239 6.929 -18.643 2.561 1.00 43.67 C ATOM 1246 OG1 THR A 239 6.737 -18.291 1.177 1.00 64.77 O ATOM 1247 CG2 THR A 239 6.337 -19.995 2.832 1.00 41.49 C ATOM 1248 HG1 THR A 239 5.768 -18.250 0.980 1.00 0.00 H ATOM 1249 H THR A 239 7.871 -16.170 3.221 1.00 0.00 H ATOM 1250 N TYR A 240 5.313 -18.394 5.468 1.00 22.46 N ATOM 1251 CA TYR A 240 5.311 -18.787 6.877 1.00 21.91 C ATOM 1252 C TYR A 240 5.960 -20.161 7.007 1.00 24.46 C ATOM 1253 O TYR A 240 5.599 -21.066 6.318 1.00 26.13 O ATOM 1254 CB TYR A 240 3.893 -18.837 7.465 1.00 23.56 C ATOM 1255 CG TYR A 240 3.827 -19.477 8.834 1.00 22.94 C ATOM 1256 CD1 TYR A 240 3.975 -18.727 9.985 1.00 20.69 C ATOM 1257 CD2 TYR A 240 3.628 -20.839 8.988 1.00 23.48 C ATOM 1258 CE1 TYR A 240 3.957 -19.325 11.213 1.00 20.70 C ATOM 1259 CE2 TYR A 240 3.577 -21.435 10.243 1.00 21.12 C ATOM 1260 CZ TYR A 240 3.740 -20.656 11.377 1.00 18.77 C ATOM 1261 OH TYR A 240 3.671 -21.251 12.588 1.00 18.21 O ATOM 1262 HH TYR A 240 2.782 -21.672 12.697 1.00 0.00 H ATOM 1263 H TYR A 240 4.435 -18.456 4.913 1.00 0.00 H ATOM 1264 N LYS A 241 6.904 -20.283 7.927 1.00 23.46 N ATOM 1265 CA LYS A 241 7.389 -21.599 8.343 1.00 25.70 C ATOM 1266 C LYS A 241 7.723 -21.526 9.821 1.00 25.24 C ATOM 1267 O LYS A 241 8.311 -20.526 10.281 1.00 29.97 O ATOM 1268 CB LYS A 241 8.604 -22.024 7.539 1.00 32.37 C ATOM 1269 CG LYS A 241 9.893 -21.321 7.911 1.00 32.50 C ATOM 1270 CD LYS A 241 11.095 -22.142 7.476 1.00 32.18 C ATOM 1271 CE LYS A 241 12.396 -21.409 7.733 1.00 32.50 C ATOM 1272 NZ LYS A 241 13.514 -22.053 6.993 1.00 37.14 N ATOM 1273 HZ1 LYS A 241 13.614 -23.039 7.308 1.00 0.00 H ATOM 1274 HZ2 LYS A 241 13.311 -22.032 5.973 1.00 0.00 H ATOM 1275 HZ3 LYS A 241 14.396 -21.536 7.182 1.00 0.00 H ATOM 1276 H LYS A 241 7.308 -19.429 8.361 1.00 0.00 H ATOM 1277 N TYR A 242 7.302 -22.537 10.564 1.00 20.88 N ATOM 1278 CA TYR A 242 7.581 -22.595 11.985 1.00 22.55 C ATOM 1279 C TYR A 242 9.037 -22.801 12.223 1.00 20.22 C ATOM 1280 O TYR A 242 9.672 -23.599 11.582 1.00 22.38 O ATOM 1281 CB TYR A 242 6.801 -23.754 12.639 1.00 20.82 C ATOM 1282 CG TYR A 242 7.012 -23.765 14.134 1.00 20.05 C ATOM 1283 CD1 TYR A 242 6.388 -22.822 14.958 1.00 20.97 C ATOM 1284 CD2 TYR A 242 7.934 -24.595 14.700 1.00 21.09 C ATOM 1285 CE1 TYR A 242 6.696 -22.778 16.305 1.00 20.22 C ATOM 1286 CE2 TYR A 242 8.205 -24.556 16.057 1.00 23.19 C ATOM 1287 CZ TYR A 242 7.596 -23.634 16.846 1.00 21.90 C ATOM 1288 OH TYR A 242 7.825 -23.626 18.187 1.00 30.26 O ATOM 1289 HH TYR A 242 7.546 -24.494 18.574 1.00 0.00 H ATOM 1290 H TYR A 242 6.760 -23.305 10.119 1.00 0.00 H ATOM 1291 N VAL A 243 9.581 -22.063 13.175 1.00 17.97 N ATOM 1292 CA VAL A 243 10.897 -22.322 13.710 1.00 20.48 C ATOM 1293 C VAL A 243 10.722 -22.210 15.235 1.00 19.70 C ATOM 1294 O VAL A 243 9.891 -21.450 15.707 1.00 18.99 O ATOM 1295 CB VAL A 243 11.966 -21.344 13.205 1.00 26.44 C ATOM 1296 CG1 VAL A 243 12.005 -21.354 11.688 1.00 35.28 C ATOM 1297 CG2 VAL A 243 11.760 -19.931 13.736 1.00 26.11 C ATOM 1298 H VAL A 243 9.038 -21.262 13.555 1.00 0.00 H ATOM 1299 N ASP A 244 11.565 -22.904 15.982 1.00 21.98 N ATOM 1300 CA ASP A 244 11.468 -22.893 17.425 1.00 23.77 C ATOM 1301 C ASP A 244 11.456 -21.468 17.958 1.00 22.37 C ATOM 1302 O ASP A 244 12.417 -20.681 17.778 1.00 20.23 O ATOM 1303 CB ASP A 244 12.667 -23.642 18.039 1.00 27.13 C ATOM 1304 CG ASP A 244 12.498 -23.881 19.529 1.00 36.41 C ATOM 1305 OD1 ASP A 244 11.846 -23.040 20.243 1.00 31.45 O ATOM 1306 OD2 ASP A 244 13.040 -24.915 19.997 1.00 43.28 O ATOM 1307 H ASP A 244 12.310 -23.467 15.524 1.00 0.00 H ATOM 1308 N ILE A 245 10.358 -21.132 18.602 1.00 22.14 N ATOM 1309 CA ILE A 245 10.159 -19.737 18.977 1.00 21.68 C ATOM 1310 C ILE A 245 11.005 -19.355 20.177 1.00 22.05 C ATOM 1311 O ILE A 245 11.328 -18.166 20.361 1.00 24.73 O ATOM 1312 CB ILE A 245 8.678 -19.429 19.326 1.00 24.64 C ATOM 1313 CG1 ILE A 245 8.229 -20.382 20.426 1.00 29.65 C ATOM 1314 CG2 ILE A 245 7.778 -19.588 18.102 1.00 22.24 C ATOM 1315 CD1 ILE A 245 6.875 -20.099 21.010 1.00 37.80 C ATOM 1316 H ILE A 245 9.644 -21.850 18.839 1.00 0.00 H ATOM 1317 N ASN A 246 11.431 -20.335 20.962 1.00 22.08 N ATOM 1318 CA ASN A 246 12.213 -20.032 22.137 1.00 25.50 C ATOM 1319 C ASN A 246 13.644 -19.638 21.803 1.00 28.18 C ATOM 1320 O ASN A 246 14.301 -18.988 22.639 1.00 28.33 O ATOM 1321 CB ASN A 246 12.205 -21.231 23.071 1.00 27.43 C ATOM 1322 CG ASN A 246 10.784 -21.727 23.370 1.00 32.86 C ATOM 1323 OD1 ASN A 246 10.091 -21.165 24.233 1.00 32.62 O ATOM 1324 ND2 ASN A 246 10.331 -22.793 22.633 1.00 32.02 N ATOM 1325 HD22 ASN A 246 10.948 -23.232 21.920 1.00 0.00 H ATOM 1326 HD21 ASN A 246 9.371 -23.161 22.787 1.00 0.00 H ATOM 1327 H ASN A 246 11.202 -21.323 20.731 1.00 0.00 H ATOM 1328 N THR A 247 14.126 -20.015 20.627 1.00 21.03 N ATOM 1329 CA THR A 247 15.456 -19.634 20.171 1.00 22.76 C ATOM 1330 C THR A 247 15.430 -18.735 18.955 1.00 22.16 C ATOM 1331 O THR A 247 16.437 -18.596 18.253 1.00 24.54 O ATOM 1332 CB THR A 247 16.273 -20.915 19.858 1.00 22.51 C ATOM 1333 OG1 THR A 247 15.562 -21.663 18.877 1.00 23.95 O ATOM 1334 CG2 THR A 247 16.428 -21.741 21.178 1.00 26.34 C ATOM 1335 HG1 THR A 247 15.457 -21.116 18.059 1.00 0.00 H ATOM 1336 H THR A 247 13.533 -20.604 20.008 1.00 0.00 H ATOM 1337 N PHE A 248 14.272 -18.149 18.665 1.00 20.83 N ATOM 1338 CA PHE A 248 14.111 -17.351 17.461 1.00 19.61 C ATOM 1339 C PHE A 248 15.099 -16.207 17.405 1.00 20.41 C ATOM 1340 O PHE A 248 15.307 -15.530 18.416 1.00 24.17 O ATOM 1341 CB PHE A 248 12.710 -16.769 17.399 1.00 20.29 C ATOM 1342 CG PHE A 248 12.550 -15.771 16.312 1.00 17.28 C ATOM 1343 CD1 PHE A 248 12.344 -16.198 15.011 1.00 20.91 C ATOM 1344 CD2 PHE A 248 12.641 -14.398 16.566 1.00 20.41 C ATOM 1345 CE1 PHE A 248 12.215 -15.289 13.978 1.00 21.03 C ATOM 1346 CE2 PHE A 248 12.541 -13.483 15.523 1.00 18.71 C ATOM 1347 CZ PHE A 248 12.306 -13.908 14.228 1.00 19.19 C ATOM 1348 H PHE A 248 13.466 -18.264 19.312 1.00 0.00 H ATOM 1349 N ARG A 249 15.667 -15.958 16.211 1.00 21.24 N ATOM 1350 CA ARG A 249 16.577 -14.820 15.972 1.00 24.24 C ATOM 1351 C ARG A 249 16.314 -14.241 14.587 1.00 21.12 C ATOM 1352 O ARG A 249 16.152 -14.981 13.612 1.00 22.15 O ATOM 1353 CB ARG A 249 18.045 -15.276 16.065 1.00 25.76 C ATOM 1354 CG ARG A 249 18.582 -15.439 17.500 1.00 27.94 C ATOM 1355 CD ARG A 249 19.509 -14.269 17.887 1.00 31.35 C ATOM 1356 NE ARG A 249 20.916 -14.564 17.678 1.00 28.38 N ATOM 1357 CZ ARG A 249 21.876 -13.649 17.613 1.00 29.64 C ATOM 1358 NH1 ARG A 249 21.596 -12.358 17.713 1.00 28.91 N ATOM 1359 NH2 ARG A 249 23.104 -14.021 17.424 1.00 33.31 N ATOM 1360 HE ARG A 249 21.191 -15.561 17.572 1.00 0.00 H ATOM 1361 HH12 ARG A 249 22.360 -11.655 17.660 1.00 0.00 H ATOM 1362 HH11 ARG A 249 20.612 -12.048 17.845 1.00 0.00 H ATOM 1363 HH22 ARG A 249 23.861 -13.309 17.372 1.00 0.00 H ATOM 1364 HH21 ARG A 249 23.332 -15.031 17.324 1.00 0.00 H ATOM 1365 H ARG A 249 15.455 -16.597 15.419 1.00 0.00 H ATOM 1366 N LEU A 250 16.263 -12.902 14.494 1.00 21.53 N ATOM 1367 CA LEU A 250 16.172 -12.235 13.201 1.00 20.03 C ATOM 1368 C LEU A 250 17.351 -12.611 12.346 1.00 20.20 C ATOM 1369 O LEU A 250 18.447 -12.822 12.882 1.00 24.18 O ATOM 1370 CB LEU A 250 16.259 -10.715 13.405 1.00 18.46 C ATOM 1371 CG LEU A 250 15.076 -10.075 14.062 1.00 18.61 C ATOM 1372 CD1 LEU A 250 15.359 -8.570 14.180 1.00 18.07 C ATOM 1373 CD2 LEU A 250 13.830 -10.283 13.257 1.00 15.75 C ATOM 1374 H LEU A 250 16.289 -12.330 15.362 1.00 0.00 H ATOM 1375 N SER A 251 17.116 -12.654 11.051 1.00 22.76 N ATOM 1376 CA SER A 251 18.241 -12.896 10.102 1.00 23.78 C ATOM 1377 C SER A 251 19.041 -11.609 9.921 1.00 25.25 C ATOM 1378 O SER A 251 18.602 -10.535 10.280 1.00 24.45 O ATOM 1379 CB SER A 251 17.725 -13.407 8.782 1.00 26.71 C ATOM 1380 OG SER A 251 17.134 -12.355 8.036 1.00 29.51 O ATOM 1381 HG SER A 251 16.379 -11.972 8.549 1.00 0.00 H ATOM 1382 H SER A 251 16.149 -12.520 10.691 1.00 0.00 H ATOM 1383 N ALA A 252 20.249 -11.750 9.343 1.00 29.50 N ATOM 1384 CA ALA A 252 21.081 -10.612 9.026 1.00 28.37 C ATOM 1385 C ALA A 252 20.376 -9.717 8.044 1.00 25.95 C ATOM 1386 O ALA A 252 20.498 -8.498 8.131 1.00 30.13 O ATOM 1387 CB ALA A 252 22.434 -11.068 8.465 1.00 32.08 C ATOM 1388 H ALA A 252 20.593 -12.705 9.118 1.00 0.00 H ATOM 1389 N ASP A 253 19.600 -10.303 7.145 1.00 27.84 N ATOM 1390 CA ASP A 253 18.821 -9.489 6.172 1.00 24.78 C ATOM 1391 C ASP A 253 17.713 -8.652 6.870 1.00 25.86 C ATOM 1392 O ASP A 253 17.466 -7.499 6.509 1.00 24.99 O ATOM 1393 CB ASP A 253 18.242 -10.373 5.093 1.00 31.01 C ATOM 1394 CG ASP A 253 17.520 -9.578 4.054 1.00 38.20 C ATOM 1395 OD1 ASP A 253 18.195 -8.891 3.245 1.00 36.61 O ATOM 1396 OD2 ASP A 253 16.268 -9.579 4.084 1.00 39.13 O ATOM 1397 H ASP A 253 19.534 -11.341 7.119 1.00 0.00 H ATOM 1398 N ASP A 254 17.071 -9.232 7.883 1.00 22.34 N ATOM 1399 CA ASP A 254 16.034 -8.464 8.589 1.00 18.56 C ATOM 1400 C ASP A 254 16.674 -7.308 9.345 1.00 18.48 C ATOM 1401 O ASP A 254 16.126 -6.211 9.414 1.00 21.06 O ATOM 1402 CB ASP A 254 15.393 -9.330 9.642 1.00 19.72 C ATOM 1403 CG ASP A 254 14.579 -10.509 9.072 1.00 19.74 C ATOM 1404 OD1 ASP A 254 13.720 -10.279 8.195 1.00 19.77 O ATOM 1405 OD2 ASP A 254 14.807 -11.640 9.573 1.00 19.15 O ATOM 1406 H ASP A 254 17.298 -10.206 8.168 1.00 0.00 H ATOM 1407 N ILE A 255 17.792 -7.593 10.025 1.00 24.91 N ATOM 1408 CA ILE A 255 18.472 -6.563 10.757 1.00 24.80 C ATOM 1409 C ILE A 255 18.921 -5.446 9.820 1.00 26.41 C ATOM 1410 O ILE A 255 18.735 -4.286 10.151 1.00 26.59 O ATOM 1411 CB ILE A 255 19.586 -7.123 11.662 1.00 29.06 C ATOM 1412 CG1 ILE A 255 18.936 -7.954 12.775 1.00 25.09 C ATOM 1413 CG2 ILE A 255 20.424 -6.009 12.204 1.00 29.72 C ATOM 1414 CD1 ILE A 255 19.911 -8.594 13.730 1.00 25.71 C ATOM 1415 H ILE A 255 18.168 -8.563 10.023 1.00 0.00 H ATOM 1416 N ARG A 256 19.513 -5.815 8.676 1.00 26.41 N ATOM 1417 CA ARG A 256 19.877 -4.842 7.644 1.00 29.26 C ATOM 1418 C ARG A 256 18.663 -3.977 7.325 1.00 28.12 C ATOM 1419 O ARG A 256 18.712 -2.736 7.391 1.00 26.56 O ATOM 1420 CB ARG A 256 20.349 -5.557 6.365 1.00 32.80 C ATOM 1421 CG ARG A 256 20.610 -4.595 5.208 1.00 32.25 C ATOM 1422 CD ARG A 256 20.148 -5.119 3.850 1.00 31.86 C ATOM 1423 NE ARG A 256 18.705 -4.999 3.600 1.00 29.39 N ATOM 1424 CZ ARG A 256 18.036 -3.844 3.528 1.00 28.09 C ATOM 1425 NH1 ARG A 256 16.732 -3.837 3.252 1.00 30.04 N ATOM 1426 NH2 ARG A 256 18.649 -2.694 3.744 1.00 20.67 N ATOM 1427 HE ARG A 256 18.164 -5.878 3.469 1.00 0.00 H ATOM 1428 HH12 ARG A 256 16.217 -2.935 3.197 1.00 0.00 H ATOM 1429 HH11 ARG A 256 16.230 -4.733 3.091 1.00 0.00 H ATOM 1430 HH22 ARG A 256 18.117 -1.802 3.685 1.00 0.00 H ATOM 1431 HH21 ARG A 256 19.663 -2.680 3.973 1.00 0.00 H ATOM 1432 H ARG A 256 19.720 -6.822 8.516 1.00 0.00 H ATOM 1433 N GLY A 257 17.546 -4.635 7.029 1.00 26.79 N ATOM 1434 CA GLY A 257 16.335 -3.884 6.622 1.00 22.52 C ATOM 1435 C GLY A 257 15.842 -2.889 7.669 1.00 21.26 C ATOM 1436 O GLY A 257 15.554 -1.765 7.365 1.00 21.76 O ATOM 1437 H GLY A 257 17.522 -5.673 7.083 1.00 0.00 H ATOM 1438 N ILE A 258 15.705 -3.360 8.935 1.00 19.99 N ATOM 1439 CA ILE A 258 15.147 -2.492 9.956 1.00 18.75 C ATOM 1440 C ILE A 258 16.121 -1.374 10.296 1.00 19.91 C ATOM 1441 O ILE A 258 15.693 -0.235 10.527 1.00 17.63 O ATOM 1442 CB ILE A 258 14.664 -3.265 11.208 1.00 18.13 C ATOM 1443 CG1 ILE A 258 13.641 -2.502 11.964 1.00 16.43 C ATOM 1444 CG2 ILE A 258 15.830 -3.653 12.105 1.00 20.18 C ATOM 1445 CD1 ILE A 258 12.319 -2.275 11.236 1.00 16.11 C ATOM 1446 H ILE A 258 15.996 -4.330 9.170 1.00 0.00 H ATOM 1447 N GLN A 259 17.429 -1.659 10.254 1.00 20.80 N ATOM 1448 CA GLN A 259 18.389 -0.617 10.557 1.00 23.89 C ATOM 1449 C GLN A 259 18.552 0.374 9.378 1.00 21.33 C ATOM 1450 O GLN A 259 18.911 1.477 9.593 1.00 29.97 O ATOM 1451 CB GLN A 259 19.702 -1.217 11.140 1.00 26.34 C ATOM 1452 CG GLN A 259 19.418 -1.691 12.579 1.00 29.48 C ATOM 1453 CD GLN A 259 20.594 -2.304 13.315 1.00 34.75 C ATOM 1454 OE1 GLN A 259 20.471 -2.639 14.539 1.00 30.15 O ATOM 1455 NE2 GLN A 259 21.700 -2.489 12.629 1.00 28.48 N ATOM 1456 HE22 GLN A 259 21.748 -2.197 11.632 1.00 0.00 H ATOM 1457 HE21 GLN A 259 22.527 -2.927 13.083 1.00 0.00 H ATOM 1458 H GLN A 259 17.752 -2.616 10.007 1.00 0.00 H ATOM 1459 N SER A 260 18.086 0.013 8.170 1.00 21.72 N ATOM 1460 CA SER A 260 18.004 0.980 7.081 1.00 25.27 C ATOM 1461 C SER A 260 16.856 1.978 7.306 1.00 25.11 C ATOM 1462 O SER A 260 16.834 3.027 6.679 1.00 24.83 O ATOM 1463 CB SER A 260 17.813 0.260 5.739 1.00 34.34 C ATOM 1464 OG SER A 260 16.437 -0.030 5.547 1.00 43.04 O ATOM 1465 HG SER A 260 16.118 -0.612 6.282 1.00 0.00 H ATOM 1466 H SER A 260 17.780 -0.968 8.010 1.00 0.00 H ATOM 1467 N LEU A 261 15.878 1.644 8.166 1.00 16.51 N ATOM 1468 CA LEU A 261 14.773 2.493 8.481 1.00 16.09 C ATOM 1469 C LEU A 261 14.937 3.221 9.804 1.00 15.68 C ATOM 1470 O LEU A 261 14.345 4.312 9.952 1.00 17.21 O ATOM 1471 CB LEU A 261 13.455 1.687 8.551 1.00 15.65 C ATOM 1472 CG LEU A 261 13.054 0.947 7.288 1.00 19.25 C ATOM 1473 CD1 LEU A 261 11.782 0.124 7.503 1.00 18.54 C ATOM 1474 CD2 LEU A 261 12.855 1.915 6.173 1.00 22.61 C ATOM 1475 H LEU A 261 15.929 0.714 8.629 1.00 0.00 H ATOM 1476 N TYR A 262 15.573 2.605 10.798 1.00 16.16 N ATOM 1477 CA TYR A 262 15.645 3.166 12.142 1.00 16.63 C ATOM 1478 C TYR A 262 17.066 2.969 12.645 1.00 23.04 C ATOM 1479 O TYR A 262 17.761 1.972 12.259 1.00 29.80 O ATOM 1480 CB TYR A 262 14.649 2.456 13.138 1.00 19.02 C ATOM 1481 CG TYR A 262 13.233 2.511 12.709 1.00 14.12 C ATOM 1482 CD1 TYR A 262 12.418 3.611 13.028 1.00 13.52 C ATOM 1483 CD2 TYR A 262 12.658 1.490 11.965 1.00 13.61 C ATOM 1484 CE1 TYR A 262 11.115 3.685 12.626 1.00 12.84 C ATOM 1485 CE2 TYR A 262 11.349 1.562 11.523 1.00 10.90 C ATOM 1486 CZ TYR A 262 10.575 2.643 11.834 1.00 11.22 C ATOM 1487 OH TYR A 262 9.307 2.774 11.447 1.00 12.54 O ATOM 1488 HH TYR A 262 9.262 2.763 10.458 1.00 0.00 H ATOM 1489 H TYR A 262 16.034 1.692 10.610 1.00 0.00 H ATOM 1490 N GLY A 263 17.472 3.786 13.540 1.00 21.77 N ATOM 1491 CA GLY A 263 18.784 3.569 14.159 1.00 25.58 C ATOM 1492 C GLY A 263 20.043 3.732 13.354 1.00 32.14 C ATOM 1493 O GLY A 263 21.132 3.329 13.825 1.00 34.52 O ATOM 1494 OXT GLY A 263 20.039 4.309 12.287 1.00 29.44 O ATOM 1495 H GLY A 263 16.881 4.593 13.825 1.00 0.00 H TER 1496 GLY A 263 HETATM 1497 ZN ZN A 1 4.427 -9.908 4.747 1.00 14.38 ZN HETATM 1498 ZN ZN A 2 -7.311 -6.033 7.480 1.00 13.68 ZN HETATM 1499 CA CA A 3 -2.806 2.928 13.279 1.00 13.40 CA HETATM 1500 CA CA A 4 -9.249 -18.859 15.007 1.00 11.30 CA HETATM 1501 CA CA A 5 -6.637 -17.159 5.773 1.00 14.37 CA HETATM 1502 O HOH 6 14.400 -4.662 23.246 1.00 35.30 O HETATM 1503 O HOH 7 12.071 -10.290 24.370 1.00 34.98 O HETATM 1504 O HOH 8 25.374 -13.680 18.073 1.00 44.33 O HETATM 1505 O HOH 9 21.092 2.318 16.055 1.00 55.74 O HETATM 1506 O HOH 10 20.986 2.110 10.736 1.00 43.61 O HETATM 1507 O HOH 11 6.540 -23.971 20.284 1.00 37.08 O HETATM 1508 O HOH 12 4.484 -4.440 25.398 1.00 33.66 O HETATM 1509 O HOH 13 15.539 -16.028 20.887 1.00 40.23 O HETATM 1510 O HOH 14 -7.467 -0.273 3.344 1.00 37.87 O HETATM 1511 O HOH 15 -2.343 5.937 6.992 1.00 35.61 O HETATM 1512 O HOH 16 2.993 -23.717 12.610 1.00 24.96 O HETATM 1513 O HOH 17 3.070 6.977 20.086 1.00 19.92 O HETATM 1514 O HOH 18 3.387 -23.413 24.097 1.00 23.21 O HETATM 1515 O HOH 19 -3.038 11.506 7.843 1.00 47.98 O HETATM 1516 O HOH 20 -15.030 -16.865 7.401 1.00 29.02 O HETATM 1517 O HOH 21 -4.141 3.687 14.962 1.00 18.75 O HETATM 1518 O HOH 22 8.287 1.821 4.677 1.00 29.64 O HETATM 1519 O HOH 23 -1.209 -10.226 30.069 1.00 30.69 O HETATM 1520 O HOH 24 -0.048 -21.804 26.458 1.00 24.44 O HETATM 1521 O HOH 25 19.512 -11.208 16.627 1.00 50.24 O HETATM 1522 O HOH 26 19.864 -12.973 6.081 1.00 39.64 O HETATM 1523 O HOH 27 11.614 -17.462 6.950 1.00 32.64 O HETATM 1524 O HOH 28 -6.750 2.122 13.936 1.00 36.30 O HETATM 1525 O HOH 29 -11.586 -1.303 16.473 1.00 45.88 O HETATM 1526 O HOH 30 -8.204 -19.780 2.051 1.00 49.66 O HETATM 1527 O HOH 31 -1.307 6.207 21.519 1.00 24.74 O HETATM 1528 O HOH 32 -4.019 8.136 13.494 1.00 29.91 O HETATM 1529 O HOH 33 -4.136 -7.382 28.759 1.00 35.09 O HETATM 1530 O HOH 34 -13.715 -20.558 9.148 1.00 32.62 O HETATM 1531 O HOH 35 10.080 -12.420 28.304 1.00 40.79 O HETATM 1532 O HOH 36 10.802 -0.719 3.406 1.00 37.80 O HETATM 1533 O HOH 37 -7.351 -14.983 23.841 1.00 15.27 O HETATM 1534 O HOH 38 -5.623 -5.766 26.562 1.00 32.17 O HETATM 1535 O HOH 39 -0.567 -21.851 8.933 1.00 30.39 O HETATM 1536 O HOH 40 -0.440 7.736 18.651 1.00 42.98 O HETATM 1537 O HOH 41 -3.964 -22.228 20.596 1.00 14.74 O HETATM 1538 O HOH 42 -0.526 6.776 14.929 1.00 16.69 O HETATM 1539 O HOH 43 0.101 -19.852 29.402 1.00 32.50 O HETATM 1540 O HOH 44 -8.751 -22.488 11.895 1.00 18.54 O HETATM 1541 O HOH 45 14.528 5.426 22.272 1.00 21.03 O HETATM 1542 O HOH 46 5.100 -1.844 5.497 1.00 21.95 O HETATM 1543 O HOH 47 -2.826 -19.957 24.334 1.00 14.36 O HETATM 1544 O HOH 48 14.689 -20.706 16.365 1.00 32.01 O HETATM 1545 O HOH 49 17.953 -16.433 12.259 1.00 33.38 O HETATM 1546 O HOH 50 1.047 -7.363 24.949 1.00 13.64 O HETATM 1547 O HOH 51 -8.556 -0.121 -0.902 1.00 54.65 O HETATM 1548 O HOH 52 15.479 4.695 5.055 1.00 33.15 O HETATM 1549 O HOH 53 -11.125 -15.218 6.962 1.00 12.94 O HETATM 1550 O HOH 54 -12.080 -13.164 16.903 1.00 25.26 O HETATM 1551 O HOH 55 14.930 -12.962 19.177 1.00 32.63 O HETATM 1552 O HOH 56 2.179 6.943 5.590 1.00 43.91 O HETATM 1553 O HOH 57 -7.277 -1.543 12.155 1.00 17.02 O HETATM 1554 O HOH 58 6.611 -3.628 25.420 1.00 32.52 O HETATM 1555 O HOH 59 -9.546 -18.401 24.646 1.00 24.01 O HETATM 1556 O HOH 60 21.044 -1.271 7.405 1.00 41.89 O HETATM 1557 O HOH 61 19.412 -5.001 22.111 1.00 35.42 O HETATM 1558 O HOH 62 -4.997 -16.245 30.121 1.00 14.31 O HETATM 1559 O HOH 63 14.126 6.403 11.702 1.00 26.07 O HETATM 1560 O HOH 64 -6.668 -9.538 1.608 1.00 22.98 O HETATM 1561 O HOH 65 -4.256 -24.353 7.154 1.00 41.04 O HETATM 1562 O HOH 66 -11.768 -16.576 24.220 1.00 35.47 O HETATM 1563 O HOH 67 7.673 13.077 15.830 1.00 43.75 O HETATM 1564 O HOH 68 -11.491 -6.445 4.991 1.00 17.14 O HETATM 1565 O HOH 69 9.444 -3.855 23.173 1.00 34.34 O HETATM 1566 O HOH 70 2.721 -17.167 26.964 1.00 26.24 O HETATM 1567 O HOH 71 -1.692 5.068 13.221 1.00 14.72 O HETATM 1568 O HOH 72 -11.468 -2.935 21.908 1.00 38.17 O HETATM 1569 O HOH 73 -0.203 2.829 5.769 1.00 33.90 O HETATM 1570 O HOH 74 -0.213 -26.111 11.395 1.00 46.38 O HETATM 1571 O HOH 75 12.096 -3.741 3.483 1.00 32.23 O HETATM 1572 O HOH 76 0.918 -12.023 29.345 1.00 17.78 O HETATM 1573 O HOH 77 -4.539 -3.567 24.592 1.00 17.04 O HETATM 1574 O HOH 78 13.567 4.761 16.173 1.00 24.23 O HETATM 1575 O HOH 79 -3.277 -17.961 33.998 1.00 30.59 O HETATM 1576 O HOH 80 15.826 -9.047 18.148 1.00 21.31 O HETATM 1577 O HOH 81 12.758 -1.907 24.860 1.00 26.50 O HETATM 1578 O HOH 82 -15.696 -13.531 14.007 1.00 31.82 O HETATM 1579 O HOH 83 -16.599 -11.187 8.265 1.00 32.47 O HETATM 1580 O HOH 84 2.618 -17.502 19.655 1.00 13.42 O HETATM 1581 O HOH 85 16.946 -17.641 10.266 1.00 37.57 O HETATM 1582 O HOH 86 -6.263 2.329 18.556 1.00 29.18 O HETATM 1583 O HOH 87 2.515 -3.385 4.568 1.00 28.19 O HETATM 1584 O HOH 88 11.314 -11.283 21.895 1.00 22.92 O HETATM 1585 O HOH 89 13.353 -15.524 -3.035 1.00 34.89 O HETATM 1586 O HOH 90 14.269 -8.605 5.840 1.00 27.19 O HETATM 1587 O HOH 91 14.623 -14.944 11.144 1.00 30.14 O HETATM 1588 O HOH 92 -16.854 -11.492 4.825 1.00 25.28 O HETATM 1589 O HOH 93 2.580 9.950 14.888 1.00 21.37 O HETATM 1590 O HOH 94 -3.305 -22.538 2.359 1.00 37.71 O HETATM 1591 O HOH 95 -15.151 -4.705 4.603 1.00 36.42 O HETATM 1592 O HOH 96 -4.045 -22.127 11.254 1.00 21.29 O HETATM 1593 O HOH 97 -0.907 -23.082 24.272 1.00 24.58 O HETATM 1594 O HOH 98 -5.955 8.178 22.729 1.00 45.45 O HETATM 1595 O HOH 99 -14.435 -10.565 11.758 1.00 22.36 O HETATM 1596 O HOH 100 11.626 6.379 15.099 1.00 20.85 O HETATM 1597 O HOH 101 -12.578 -7.822 14.843 1.00 26.49 O HETATM 1598 O HOH 102 15.610 -18.443 14.722 1.00 32.68 O HETATM 1599 O HOH 103 17.828 -1.800 21.068 1.00 32.28 O HETATM 1600 O HOH 104 20.008 -12.462 2.447 1.00 46.78 O HETATM 1601 O HOH 105 -2.109 -27.833 13.387 1.00 43.23 O HETATM 1602 O HOH 106 2.604 -16.658 24.108 1.00 18.70 O HETATM 1603 O HOH 107 16.524 -11.482 17.019 1.00 23.53 O HETATM 1604 O HOH 108 6.156 3.279 24.033 1.00 19.45 O HETATM 1605 O HOH 109 -3.891 -9.353 2.575 1.00 21.50 O HETATM 1606 O HOH 110 -12.687 -11.651 19.281 1.00 18.10 O HETATM 1607 O HOH 111 0.965 -7.275 5.180 1.00 18.53 O HETATM 1608 O HOH 112 15.502 -9.170 -0.418 1.00 29.49 O HETATM 1609 O HOH 113 -0.465 8.810 7.195 1.00 39.28 O HETATM 1610 O HOH 114 10.349 10.246 20.265 1.00 13.19 O HETATM 1611 O HOH 115 -12.229 -20.165 2.275 1.00 45.35 O HETATM 1612 O HOH 116 21.379 -14.465 8.967 1.00 46.09 O HETATM 1613 O HOH 117 -13.895 -17.453 16.042 1.00 16.68 O HETATM 1614 O HOH 118 -5.049 -0.160 1.616 1.00 43.49 O HETATM 1615 O HOH 119 3.485 -2.285 27.704 1.00 27.80 O HETATM 1616 O HOH 120 -9.709 -21.117 14.296 1.00 16.67 O HETATM 1617 O HOH 121 -7.844 -16.750 28.819 1.00 18.03 O HETATM 1618 O HOH 122 -7.097 5.430 8.085 1.00 28.22 O HETATM 1619 O HOH 123 25.028 -15.764 18.916 1.00 41.18 O HETATM 1620 O HOH 124 -12.370 -21.380 6.889 1.00 28.28 O HETATM 1621 O HOH 125 2.154 -28.766 19.223 1.00 30.83 O HETATM 1622 O HOH 126 0.010 -19.737 4.072 1.00 33.14 O HETATM 1623 O HOH 127 -10.964 -4.819 11.478 1.00 36.11 O HETATM 1624 O HOH 128 0.620 -0.112 3.774 1.00 25.03 O HETATM 1625 O HOH 129 9.887 -1.655 24.136 1.00 23.56 O HETATM 1626 O HOH 130 5.848 2.884 28.955 1.00 46.08 O HETATM 1627 O HOH 131 -3.229 -24.827 20.993 1.00 17.00 O HETATM 1628 O HOH 132 7.294 -5.168 23.919 1.00 34.07 O HETATM 1629 O HOH 133 4.041 -19.609 0.781 1.00 50.83 O HETATM 1630 O HOH 134 12.323 8.198 11.624 1.00 23.92 O HETATM 1631 O HOH 135 2.591 -29.839 16.650 1.00 41.53 O HETATM 1632 O HOH 136 13.198 -24.813 14.268 1.00 31.56 O HETATM 1633 O HOH 137 2.470 -4.977 28.491 1.00 32.59 O HETATM 1634 O HOH 138 -13.527 -6.632 17.300 1.00 34.55 O HETATM 1635 O HOH 139 5.617 -22.644 23.425 1.00 37.97 O HETATM 1636 O HOH 140 11.646 1.376 2.360 1.00 46.33 O HETATM 1637 O HOH 141 -12.099 -10.080 22.719 1.00 11.71 O HETATM 1638 O HOH 142 12.390 -6.923 4.648 1.00 30.06 O HETATM 1639 O HOH 143 5.572 -24.744 9.280 1.00 33.15 O HETATM 1640 O HOH 144 -1.898 -21.659 22.214 1.00 16.09 O HETATM 1641 O HOH 145 12.638 4.685 3.670 1.00 36.17 O HETATM 1642 O HOH 146 5.215 9.293 13.499 1.00 7.68 O HETATM 1643 O HOH 147 -3.305 -24.725 11.056 1.00 33.23 O HETATM 1644 O HOH 148 14.037 -1.789 4.575 1.00 28.91 O HETATM 1645 O HOH 149 15.268 5.847 14.373 1.00 25.47 O HETATM 1646 O HOH 150 20.483 -9.430 17.896 1.00 58.20 O HETATM 1647 O HOH 151 5.859 -27.359 19.667 1.00 10.89 O HETATM 1648 O HOH 152 7.476 -24.128 22.442 1.00 32.62 O HETATM 1649 O HOH 153 4.519 8.003 9.399 1.00 47.36 O HETATM 1650 O HOH 154 -0.804 -7.326 29.492 1.00 42.31 O HETATM 1651 O HOH 155 -11.671 -19.027 15.364 1.00 14.20 O HETATM 1652 O HOH 156 -13.374 -5.475 3.141 1.00 31.03 O HETATM 1653 O HOH 157 -1.939 -4.538 3.980 1.00 32.62 O HETATM 1654 O HOH 158 13.800 5.631 6.983 1.00 42.97 O HETATM 1655 O HOH 159 19.410 0.544 16.941 1.00 31.52 O HETATM 1656 O HOH 160 1.990 -18.321 4.428 1.00 43.82 O HETATM 1657 O HOH 161 -10.634 3.999 20.448 1.00 43.56 O HETATM 1658 O HOH 162 -13.259 -12.112 14.677 1.00 24.11 O HETATM 1659 O HOH 163 -13.994 -9.649 14.338 1.00 34.78 O HETATM 1660 O HOH 164 4.421 4.951 25.158 1.00 23.26 O HETATM 1661 O HOH 165 -9.128 5.644 18.945 1.00 35.82 O HETATM 1662 O HOH 166 19.248 1.593 19.616 1.00 42.83 O HETATM 1663 O HOH 167 19.606 -1.380 18.886 1.00 44.69 O HETATM 1664 O HOH 168 21.189 -3.435 17.943 1.00 46.27 O HETATM 1665 O HOH 169 2.717 -5.660 3.432 1.00 31.27 O HETATM 1666 O HOH 170 4.727 -10.110 30.196 1.00 50.97 O HETATM 1667 O HOH 171 8.642 -16.308 21.955 1.00 43.83 O HETATM 1668 O HOH 172 -8.964 -1.323 9.666 1.00 34.02 O HETATM 1669 O HOH 173 2.721 -10.016 28.462 1.00 16.31 O HETATM 1670 O HOH 174 2.717 8.433 11.055 1.00 42.75 O HETATM 1671 O HOH 175 -2.991 7.353 15.796 1.00 46.28 O HETATM 1672 O HOH 176 -6.799 9.039 12.769 1.00 44.95 O HETATM 1673 O HOH 177 18.638 -8.878 19.493 1.00 35.05 O HETATM 1674 O HOH 178 4.100 -17.466 22.100 1.00 20.85 O HETATM 1675 O HOH 179 3.040 1.539 3.278 1.00 38.02 O HETATM 1676 O HOH 180 0.383 8.939 13.189 1.00 22.91 O HETATM 1677 O HOH 181 -16.612 -14.167 16.416 1.00 27.66 O HETATM 1678 O HOH 182 -12.586 -21.370 14.448 1.00 21.48 O HETATM 1679 O HOH 183 14.995 -18.648 12.319 1.00 46.41 O HETATM 1680 O HOH 184 1.488 -7.446 27.858 1.00 16.51 O HETATM 1681 O HOH 185 12.499 -13.550 20.603 1.00 37.40 O HETATM 1682 O HOH 186 5.168 0.536 4.432 1.00 25.79 O HETATM 1683 O HOH 187 -16.516 -14.976 7.989 1.00 49.79 O HETATM 1684 O HOH 188 -0.283 -8.116 2.823 1.00 33.50 O HETATM 1685 O HOH 189 18.370 -18.569 14.147 1.00 32.82 O HETATM 1686 O HOH 190 -9.927 -1.922 12.806 1.00 40.36 O HETATM 1687 O HOH 191 -14.306 -15.166 17.705 1.00 19.48 O HETATM 1688 O HOH 192 4.293 -19.294 26.964 1.00 46.39 O HETATM 1689 O HOH 193 -12.741 -6.045 13.096 1.00 44.23 O HETATM 1690 O HOH 194 12.106 9.386 22.290 1.00 26.33 O HETATM 1691 O HOH 195 -14.193 -6.895 0.685 1.00 38.26 O HETATM 1692 O HOH 196 4.775 2.360 30.810 1.00 38.18 O HETATM 1693 O HOH 197 2.009 -21.809 3.366 1.00 34.84 O HETATM 1694 O HOH 198 -16.965 -12.118 12.239 1.00 33.99 O HETATM 1695 O HOH 199 -17.269 -14.052 4.662 1.00 45.52 O HETATM 1696 O HOH 200 7.259 -17.281 23.569 1.00 47.78 O HETATM 1697 O HOH 201 19.114 -19.293 10.155 1.00 44.72 O HETATM 1698 O HOH 202 19.745 -21.438 8.485 1.00 40.58 O HETATM 1699 OP3 BKW A 203 2.255 -9.851 5.662 1.00 -0.57 O HETATM 1700 CZ BKW A 203 2.119 -10.615 4.673 1.00 0.05 C HETATM 1701 OP2 BKW A 203 3.113 -11.120 4.082 1.00 -0.57 O HETATM 1702 C34 BKW A 203 0.730 -11.022 4.231 1.00 0.04 C HETATM 1703 C29 BKW A 203 0.834 -11.946 3.009 1.00 -0.01 C HETATM 1704 C30 BKW A 203 1.126 -11.318 1.834 1.00 -0.06 C HETATM 1705 C31 BKW A 203 1.317 -12.061 0.710 1.00 -0.07 C HETATM 1706 C32 BKW A 203 1.188 -13.457 0.774 1.00 -0.07 C HETATM 1707 C33 BKW A 203 0.909 -14.115 1.926 1.00 -0.04 C HETATM 1708 C28 BKW A 203 0.738 -13.321 3.073 1.00 0.10 C HETATM 1709 S1 BKW A 203 0.424 -14.172 4.414 1.00 0.02 S HETATM 1710 OS1 BKW A 203 -0.706 -13.600 5.115 1.00 -0.17 O HETATM 1711 OS2 BKW A 203 0.143 -15.519 4.051 1.00 -0.17 O HETATM 1712 C1 BKW A 203 1.725 -14.268 5.301 1.00 0.09 C HETATM 1713 C6 BKW A 203 1.854 -13.677 6.523 1.00 -0.04 C HETATM 1714 C5 BKW A 203 2.936 -13.856 7.305 1.00 -0.05 C HETATM 1715 C4 BKW A 203 3.987 -14.627 6.851 1.00 -0.02 C HETATM 1716 C3 BKW A 203 3.864 -15.240 5.586 1.00 -0.05 C HETATM 1717 C2 BKW A 203 2.696 -15.050 4.825 1.00 -0.04 C HETATM 1718 H10 BKW A 203 2.586 -15.534 3.861 1.00 0.06 H HETATM 1719 H9 BKW A 203 4.668 -15.856 5.201 1.00 0.06 H HETATM 1720 C7 BKW A 203 5.191 -14.896 7.623 1.00 -0.03 C HETATM 1721 C12 BKW A 203 5.167 -15.036 9.025 1.00 -0.06 C HETATM 1722 C11 BKW A 203 6.357 -15.384 9.695 1.00 -0.03 C HETATM 1723 C10 BKW A 203 7.538 -15.569 8.991 1.00 0.09 C HETATM 1724 O13 BKW A 203 8.723 -15.822 9.632 1.00 -0.32 O HETATM 1725 C14 BKW A 203 8.969 -17.004 10.410 1.00 0.06 C HETATM 1726 H13 BKW A 203 9.990 -16.969 10.818 1.00 0.06 H HETATM 1727 H14 BKW A 203 8.860 -17.893 9.771 1.00 0.06 H HETATM 1728 H15 BKW A 203 8.246 -17.056 11.237 1.00 0.06 H HETATM 1729 C9 BKW A 203 7.551 -15.438 7.609 1.00 -0.03 C HETATM 1730 C8 BKW A 203 6.376 -15.108 6.955 1.00 -0.06 C HETATM 1731 H17 BKW A 203 6.390 -15.013 5.875 1.00 0.06 H HETATM 1732 H16 BKW A 203 8.467 -15.592 7.050 1.00 0.05 H HETATM 1733 H12 BKW A 203 6.349 -15.508 10.772 1.00 0.05 H HETATM 1734 H11 BKW A 203 4.249 -14.879 9.579 1.00 0.06 H HETATM 1735 H8 BKW A 203 2.981 -13.397 8.286 1.00 0.06 H HETATM 1736 H7 BKW A 203 1.054 -13.038 6.879 1.00 0.06 H HETATM 1737 H6 BKW A 203 0.823 -15.195 1.961 1.00 0.06 H HETATM 1738 H5 BKW A 203 1.317 -14.033 -0.135 1.00 0.06 H HETATM 1739 H4 BKW A 203 1.567 -11.578 -0.228 1.00 0.06 H HETATM 1740 H3 BKW A 203 1.205 -10.238 1.796 1.00 0.06 H HETATM 1741 H1 BKW A 203 0.152 -10.125 3.965 1.00 0.06 H HETATM 1742 H2 BKW A 203 0.225 -11.553 5.051 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 210 209 1500 CONECT 211 209 1500 CONECT 549 548 1499 CONECT 644 642 643 1498 CONECT 658 656 1498 CONECT 704 703 1501 CONECT 710 709 1501 CONECT 728 727 1501 CONECT 738 737 1501 CONECT 768 766 767 1498 CONECT 816 815 1499 CONECT 830 829 1499 CONECT 843 842 1499 CONECT 858 857 860 1498 CONECT 887 886 1500 CONECT 892 890 1500 CONECT 1070 1068 1069 1497 CONECT 1105 1103 1104 1497 CONECT 1152 1150 1151 1497 CONECT 1497 1070 1105 1152 CONECT 1498 644 658 768 858 CONECT 1499 549 816 830 843 CONECT 1500 210 211 887 892 CONECT 1501 704 710 728 738 CONECT 1699 1700 CONECT 1700 1699 1701 1702 CONECT 1701 1700 CONECT 1702 1700 1703 1741 1742 CONECT 1703 1702 1704 1708 CONECT 1704 1703 1705 1740 CONECT 1705 1704 1706 1739 CONECT 1706 1705 1707 1738 CONECT 1707 1706 1708 1737 CONECT 1708 1703 1707 1709 CONECT 1709 1708 1710 1711 1712 CONECT 1710 1709 CONECT 1711 1709 CONECT 1712 1709 1713 1717 CONECT 1713 1712 1714 1736 CONECT 1714 1713 1715 1735 CONECT 1715 1714 1716 1720 CONECT 1716 1715 1717 1719 CONECT 1717 1712 1716 1718 CONECT 1718 1717 CONECT 1719 1716 CONECT 1720 1715 1721 1730 CONECT 1721 1720 1722 1734 CONECT 1722 1721 1723 1733 CONECT 1723 1722 1724 1729 CONECT 1724 1723 1725 CONECT 1725 1724 1726 1727 1728 CONECT 1726 1725 CONECT 1727 1725 CONECT 1728 1725 CONECT 1729 1723 1730 1732 CONECT 1730 1720 1729 1731 CONECT 1731 1730 CONECT 1732 1729 CONECT 1733 1722 CONECT 1734 1721 CONECT 1735 1714 CONECT 1736 1713 CONECT 1737 1707 CONECT 1738 1706 CONECT 1739 1705 CONECT 1740 1704 CONECT 1741 1702 CONECT 1742 1702 MASTER 0 0 0 0 0 0 0 0 1741 1 72 13 END
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Related entries of code: 6eox
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
1jiz
RCSB PDB
PDBbind
166aa, >1JIZ_1|Chains... *
1rmz
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PDBbind
159aa, >1RMZ_1|Chain... at 98%
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1utt
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PDBbind
159aa, >1UTT_1|Chain... at 100%
1utz
RCSB PDB
PDBbind
159aa, >1UTZ_1|Chains... at 100%
1ycm
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PDBbind
159aa, >1YCM_1|Chain... at 98%
1z3j
RCSB PDB
PDBbind
159aa, >1Z3J_1|Chain... at 98%
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PDBbind
159aa, >2HU6_1|Chain... at 98%
2k2g
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PDBbind
165aa, >2K2G_1|Chain... at 99%
2w0d
RCSB PDB
PDBbind
164aa, >2W0D_1|Chains... at 95%
2wo8
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PDBbind
164aa, >2WO8_1|Chains... at 96%
2wo9
RCSB PDB
PDBbind
164aa, >2WO9_1|Chains... at 96%
2woa
RCSB PDB
PDBbind
164aa, >2WOA_1|Chains... at 96%
3ehx
RCSB PDB
PDBbind
158aa, >3EHX_1|Chain... at 99%
3ehy
RCSB PDB
PDBbind
158aa, >3EHY_1|Chain... at 99%
3f15
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PDBbind
158aa, >3F15_1|Chain... at 99%
3f16
RCSB PDB
PDBbind
158aa, >3F16_1|Chain... at 99%
3f17
RCSB PDB
PDBbind
158aa, >3F17_1|Chain... at 99%
3f18
RCSB PDB
PDBbind
158aa, >3F18_1|Chain... at 99%
3f19
RCSB PDB
PDBbind
158aa, >3F19_1|Chain... at 99%
3f1a
RCSB PDB
PDBbind
158aa, >3F1A_1|Chain... at 99%
3lik
RCSB PDB
PDBbind
159aa, >3LIK_1|Chain... at 98%
3lil
RCSB PDB
PDBbind
159aa, >3LIL_1|Chain... at 98%
3lir
RCSB PDB
PDBbind
159aa, >3LIR_1|Chain... at 98%
3ljg
RCSB PDB
PDBbind
159aa, >3LJG_1|Chain... at 98%
3lk8
RCSB PDB
PDBbind
158aa, >3LK8_1|Chain... at 99%
3lka
RCSB PDB
PDBbind
158aa, >3LKA_1|Chain... at 99%
3n2u
RCSB PDB
PDBbind
158aa, >3N2U_1|Chain... at 99%
3n2v
RCSB PDB
PDBbind
158aa, >3N2V_1|Chain... at 99%
3nx7
RCSB PDB
PDBbind
158aa, >3NX7_1|Chain... at 99%
3ts4
RCSB PDB
PDBbind
159aa, >3TS4_1|Chain... at 98%
3tsk
RCSB PDB
PDBbind
159aa, >3TSK_1|Chain... at 98%
4efs
RCSB PDB
PDBbind
159aa, >4EFS_1|Chain... at 98%
4gql
RCSB PDB
PDBbind
159aa, >4GQL_1|Chain... at 98%
4gr0
RCSB PDB
PDBbind
159aa, >4GR0_1|Chain... at 98%
4gr3
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PDBbind
159aa, >4GR3_1|Chain... at 98%
4gr8
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PDBbind
152aa, >4GR8_1|Chain... at 99%
5cxa
RCSB PDB
PDBbind
159aa, >5CXA_1|Chain... at 98%
5czm
RCSB PDB
PDBbind
159aa, >5CZM_1|Chain... at 98%
5d3c
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PDBbind
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5i2z
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5i3m
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159aa, >5I3M_1|Chains... at 98%
5i43
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159aa, >5I43_1|Chains... at 98%
5i4o
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5l7f
RCSB PDB
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159aa, >5L7F_1|Chains... at 98%
6ekn
RCSB PDB
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159aa, >6EKN_1|Chain... at 98%
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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
6eox
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MMP12
Ligand Name
BKW
EC.Number
E.C.-.-.-.-
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
IC50=140nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Med. Chem. Vol. 61: pp. 4421-4435
Ligand Properties
Formula
C
2
1
H
1
8
O
5
S
Molecular Weight
382.430
Exact Mass
382.087
No. of atoms
45
No. of bonds
47
Polar Surface Area
89.05
LOGP Value
5.22 (
Computed with XLOGP3
)
4.90 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
COc1ccc(cc1)c1ccc(cc1)S(=O)(=O)c1ccccc1CC(=O)O
InChI String
InChI=1S/C21H18O5S/c1-26-18-10-6-15(7-11-18)16-8-12-19(13-9-16)27(24,25)20-5-3-2-4-17(20)14-21(22)23/h2-13H,14H2,1H3,(H,22,23)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P39900
Entrez Gene ID
NCBI Entrez Gene ID:
4321
ASD
Information of known allosteric effects of PDB entries
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