USER MOD reduce.3.24.130724 H: found=0, std=0, add=648, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 HIS : no HD1:sc= -0.342 X(o=-0.34,f=0.08) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= 0.183 K(o=-0.84,f=-3.8!) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 11 SER OG : rot 180:sc= -0.537 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -147:sc= -1.55 (180deg=-2.76!) USER MOD Single : A 24 ASN : amide:sc= -0.31 X(o=-0.31,f=-0.22) USER MOD Single : A 27 SER OG : rot -53:sc= 0.913 USER MOD Single : A 32 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 33 MET CE :methyl 164:sc= -0.233 (180deg=-0.937) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.148 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0491 USER MOD Single : A 55 CYS SG : rot 70:sc= -1.2 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0666) USER MOD Single : A 68 CYS SG : rot -154:sc= 1.96 USER MOD Single : A 71 LYS NZ :NH3+ -129:sc= -0.835 (180deg=-2.08!) USER MOD Single : A 73 ASN : amide:sc= -0.981! C(o=-0.98!,f=-1.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 34:sc= 0.214 USER MOD Single : A 84 LYS NZ :NH3+ 156:sc= -0.171 (180deg=-0.752) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.19 K(o=-1.2,f=-0.25!) USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 8.387 3.268 -14.649 1.00 0.00 N ATOM 84 CA ALA A 9 7.574 4.477 -14.607 1.00 0.00 C ATOM 85 C ALA A 9 6.098 4.140 -14.424 1.00 0.00 C ATOM 86 O ALA A 9 5.462 4.590 -13.471 1.00 0.00 O ATOM 87 CB ALA A 9 7.777 5.295 -15.873 1.00 0.00 C ATOM 0 HA ALA A 9 7.894 5.070 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.163 6.195 -15.827 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.827 5.576 -15.960 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.487 4.702 -16.740 1.00 0.00 H new ATOM 93 N ALA A 10 5.559 3.346 -15.343 1.00 0.00 N ATOM 94 CA ALA A 10 4.158 2.948 -15.282 1.00 0.00 C ATOM 95 C ALA A 10 3.976 1.710 -14.411 1.00 0.00 C ATOM 96 O ALA A 10 2.983 0.994 -14.532 1.00 0.00 O ATOM 97 CB ALA A 10 3.620 2.693 -16.683 1.00 0.00 C ATOM 0 H ALA A 10 6.071 2.966 -16.139 1.00 0.00 H new ATOM 0 HA ALA A 10 3.594 3.764 -14.830 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.573 2.397 -16.622 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.706 3.603 -17.277 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.196 1.897 -17.154 1.00 0.00 H new ATOM 103 N SER A 11 4.943 1.463 -13.533 1.00 0.00 N ATOM 104 CA SER A 11 4.892 0.308 -12.644 1.00 0.00 C ATOM 105 C SER A 11 4.499 0.727 -11.231 1.00 0.00 C ATOM 106 O SER A 11 4.475 1.915 -10.907 1.00 0.00 O ATOM 107 CB SER A 11 6.247 -0.403 -12.619 1.00 0.00 C ATOM 108 OG SER A 11 6.500 -1.062 -13.848 1.00 0.00 O ATOM 0 H SER A 11 5.771 2.047 -13.418 1.00 0.00 H new ATOM 0 HA SER A 11 4.136 -0.379 -13.024 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.038 0.321 -12.422 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.267 -1.127 -11.804 1.00 0.00 H new ATOM 0 HG SER A 11 7.372 -1.507 -13.807 1.00 0.00 H new ATOM 114 N LEU A 12 4.191 -0.257 -10.393 1.00 0.00 N ATOM 115 CA LEU A 12 3.798 0.008 -9.014 1.00 0.00 C ATOM 116 C LEU A 12 4.556 -0.898 -8.048 1.00 0.00 C ATOM 117 O LEU A 12 5.021 -1.973 -8.426 1.00 0.00 O ATOM 118 CB LEU A 12 2.291 -0.194 -8.844 1.00 0.00 C ATOM 119 CG LEU A 12 1.395 0.641 -9.759 1.00 0.00 C ATOM 120 CD1 LEU A 12 -0.031 0.112 -9.738 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.428 2.106 -9.346 1.00 0.00 C ATOM 0 H LEU A 12 4.206 -1.245 -10.645 1.00 0.00 H new ATOM 0 HA LEU A 12 4.048 1.044 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.065 -1.247 -9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.029 0.029 -7.810 1.00 0.00 H new ATOM 0 HG LEU A 12 1.775 0.562 -10.778 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.654 0.719 -10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.041 -0.922 -10.082 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.422 0.160 -8.722 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.785 2.685 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.074 2.203 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.449 2.480 -9.414 1.00 0.00 H new ATOM 133 N TRP A 13 4.673 -0.457 -6.801 1.00 0.00 N ATOM 134 CA TRP A 13 5.372 -1.230 -5.780 1.00 0.00 C ATOM 135 C TRP A 13 4.389 -2.032 -4.936 1.00 0.00 C ATOM 136 O TRP A 13 3.306 -1.551 -4.604 1.00 0.00 O ATOM 137 CB TRP A 13 6.195 -0.303 -4.884 1.00 0.00 C ATOM 138 CG TRP A 13 6.539 -0.910 -3.558 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.738 -1.451 -3.190 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.673 -1.039 -2.425 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.669 -1.909 -1.896 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.414 -1.667 -1.404 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.346 -0.684 -2.172 1.00 0.00 C ATOM 144 CZ2 TRP A 13 5.869 -1.947 -0.154 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.806 -0.963 -0.930 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.567 -1.589 0.066 1.00 0.00 C ATOM 0 H TRP A 13 4.293 0.431 -6.472 1.00 0.00 H new ATOM 0 HA TRP A 13 6.042 -1.927 -6.283 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.115 -0.032 -5.401 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.639 0.620 -4.720 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.611 -1.510 -3.823 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.430 -2.357 -1.385 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.752 -0.200 -2.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.453 -2.430 0.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.781 -0.694 -0.724 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.117 -1.793 1.026 1.00 0.00 H new ATOM 157 N MET A 14 4.773 -3.257 -4.591 1.00 0.00 N ATOM 158 CA MET A 14 3.924 -4.125 -3.783 1.00 0.00 C ATOM 159 C MET A 14 4.745 -4.860 -2.729 1.00 0.00 C ATOM 160 O MET A 14 5.469 -5.805 -3.039 1.00 0.00 O ATOM 161 CB MET A 14 3.195 -5.134 -4.674 1.00 0.00 C ATOM 162 CG MET A 14 2.095 -5.896 -3.953 1.00 0.00 C ATOM 163 SD MET A 14 1.351 -7.177 -4.981 1.00 0.00 S ATOM 164 CE MET A 14 -0.158 -7.505 -4.073 1.00 0.00 C ATOM 0 H MET A 14 5.666 -3.671 -4.858 1.00 0.00 H new ATOM 0 HA MET A 14 3.188 -3.502 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.764 -4.609 -5.526 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.919 -5.846 -5.071 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.504 -6.351 -3.051 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.322 -5.196 -3.634 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.730 -8.279 -4.585 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.089 -7.843 -3.066 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.753 -6.593 -4.014 1.00 0.00 H new ATOM 174 N GLY A 15 4.627 -4.419 -1.480 1.00 0.00 N ATOM 175 CA GLY A 15 5.365 -5.047 -0.399 1.00 0.00 C ATOM 176 C GLY A 15 4.489 -5.935 0.462 1.00 0.00 C ATOM 177 O GLY A 15 3.431 -6.387 0.024 1.00 0.00 O ATOM 0 H GLY A 15 4.034 -3.639 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.179 -5.640 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.818 -4.276 0.224 1.00 0.00 H new ATOM 181 N ASP A 16 4.930 -6.188 1.689 1.00 0.00 N ATOM 182 CA ASP A 16 4.179 -7.029 2.614 1.00 0.00 C ATOM 183 C ASP A 16 3.821 -8.363 1.966 1.00 0.00 C ATOM 184 O ASP A 16 2.818 -8.987 2.317 1.00 0.00 O ATOM 185 CB ASP A 16 2.907 -6.312 3.070 1.00 0.00 C ATOM 186 CG ASP A 16 3.200 -5.139 3.984 1.00 0.00 C ATOM 187 OD1 ASP A 16 4.257 -4.499 3.808 1.00 0.00 O ATOM 188 OD2 ASP A 16 2.371 -4.861 4.876 1.00 0.00 O ATOM 0 H ASP A 16 5.804 -5.823 2.067 1.00 0.00 H new ATOM 0 HA ASP A 16 4.808 -7.224 3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.359 -5.960 2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.260 -7.020 3.588 1.00 0.00 H new ATOM 193 N LEU A 17 4.647 -8.796 1.020 1.00 0.00 N ATOM 194 CA LEU A 17 4.418 -10.056 0.322 1.00 0.00 C ATOM 195 C LEU A 17 4.962 -11.231 1.127 1.00 0.00 C ATOM 196 O LEU A 17 6.012 -11.129 1.760 1.00 0.00 O ATOM 197 CB LEU A 17 5.073 -10.023 -1.060 1.00 0.00 C ATOM 198 CG LEU A 17 4.682 -8.851 -1.961 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.404 -8.940 -3.296 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.175 -8.817 -2.167 1.00 0.00 C ATOM 0 H LEU A 17 5.482 -8.293 0.719 1.00 0.00 H new ATOM 0 HA LEU A 17 3.342 -10.187 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.155 -10.008 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.829 -10.950 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 17 4.982 -7.925 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.113 -8.098 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.481 -8.914 -3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.136 -9.872 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.915 -7.977 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.851 -9.747 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.679 -8.703 -1.203 1.00 0.00 H new ATOM 212 N GLU A 18 4.240 -12.347 1.098 1.00 0.00 N ATOM 213 CA GLU A 18 4.652 -13.542 1.825 1.00 0.00 C ATOM 214 C GLU A 18 5.872 -14.185 1.169 1.00 0.00 C ATOM 215 O GLU A 18 6.142 -13.995 -0.017 1.00 0.00 O ATOM 216 CB GLU A 18 3.503 -14.551 1.887 1.00 0.00 C ATOM 217 CG GLU A 18 2.445 -14.205 2.922 1.00 0.00 C ATOM 218 CD GLU A 18 2.839 -14.630 4.323 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.089 -15.837 4.527 1.00 0.00 O ATOM 220 OE2 GLU A 18 2.898 -13.758 5.214 1.00 0.00 O ATOM 0 H GLU A 18 3.368 -12.448 0.579 1.00 0.00 H new ATOM 0 HA GLU A 18 4.920 -13.244 2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.033 -14.614 0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.909 -15.538 2.110 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.267 -13.130 2.909 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.506 -14.687 2.651 1.00 0.00 H new ATOM 227 N PRO A 19 6.626 -14.963 1.959 1.00 0.00 N ATOM 228 CA PRO A 19 7.829 -15.649 1.478 1.00 0.00 C ATOM 229 C PRO A 19 7.503 -16.780 0.509 1.00 0.00 C ATOM 230 O PRO A 19 8.400 -17.439 -0.017 1.00 0.00 O ATOM 231 CB PRO A 19 8.456 -16.206 2.758 1.00 0.00 C ATOM 232 CG PRO A 19 7.316 -16.351 3.706 1.00 0.00 C ATOM 233 CD PRO A 19 6.363 -15.234 3.382 1.00 0.00 C ATOM 0 HA PRO A 19 8.485 -14.979 0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.944 -17.164 2.576 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.216 -15.531 3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 19 6.833 -17.321 3.590 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.657 -16.286 4.739 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.327 -15.528 3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.549 -14.355 3.999 1.00 0.00 H new ATOM 241 N TYR A 20 6.213 -17.000 0.276 1.00 0.00 N ATOM 242 CA TYR A 20 5.769 -18.054 -0.629 1.00 0.00 C ATOM 243 C TYR A 20 4.977 -17.471 -1.796 1.00 0.00 C ATOM 244 O TYR A 20 4.082 -18.118 -2.337 1.00 0.00 O ATOM 245 CB TYR A 20 4.913 -19.074 0.124 1.00 0.00 C ATOM 246 CG TYR A 20 3.433 -18.761 0.096 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.974 -17.463 0.288 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.495 -19.762 -0.122 1.00 0.00 C ATOM 249 CE1 TYR A 20 1.624 -17.173 0.264 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.143 -19.481 -0.149 1.00 0.00 C ATOM 251 CZ TYR A 20 0.712 -18.185 0.045 1.00 0.00 C ATOM 252 OH TYR A 20 -0.634 -17.900 0.020 1.00 0.00 O ATOM 0 H TYR A 20 5.457 -16.463 0.701 1.00 0.00 H new ATOM 0 HA TYR A 20 6.652 -18.554 -1.026 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.075 -20.061 -0.308 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.246 -19.121 1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.685 -16.668 0.459 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.829 -20.778 -0.273 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.284 -16.159 0.416 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.427 -20.271 -0.321 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.140 -18.723 -0.146 1.00 0.00 H new ATOM 262 N MET A 21 5.316 -16.244 -2.178 1.00 0.00 N ATOM 263 CA MET A 21 4.639 -15.574 -3.283 1.00 0.00 C ATOM 264 C MET A 21 5.530 -15.530 -4.520 1.00 0.00 C ATOM 265 O MET A 21 6.733 -15.288 -4.422 1.00 0.00 O ATOM 266 CB MET A 21 4.240 -14.154 -2.877 1.00 0.00 C ATOM 267 CG MET A 21 3.337 -14.102 -1.655 1.00 0.00 C ATOM 268 SD MET A 21 1.590 -14.241 -2.076 1.00 0.00 S ATOM 269 CE MET A 21 0.942 -12.747 -1.331 1.00 0.00 C ATOM 0 H MET A 21 6.054 -15.694 -1.739 1.00 0.00 H new ATOM 0 HA MET A 21 3.741 -16.142 -3.525 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.142 -13.575 -2.677 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.733 -13.675 -3.714 1.00 0.00 H new ATOM 0 HG2 MET A 21 3.608 -14.908 -0.973 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.505 -13.165 -1.123 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.073 -12.928 -0.977 1.00 0.00 H new ATOM 0 HE2 MET A 21 1.573 -12.456 -0.491 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.931 -11.947 -2.071 1.00 0.00 H new ATOM 279 N ASP A 22 4.932 -15.767 -5.682 1.00 0.00 N ATOM 280 CA ASP A 22 5.671 -15.754 -6.939 1.00 0.00 C ATOM 281 C ASP A 22 4.897 -15.003 -8.018 1.00 0.00 C ATOM 282 O ASP A 22 3.701 -14.750 -7.873 1.00 0.00 O ATOM 283 CB ASP A 22 5.958 -17.184 -7.402 1.00 0.00 C ATOM 284 CG ASP A 22 6.652 -18.009 -6.336 1.00 0.00 C ATOM 285 OD1 ASP A 22 6.166 -18.021 -5.186 1.00 0.00 O ATOM 286 OD2 ASP A 22 7.682 -18.641 -6.652 1.00 0.00 O ATOM 0 H ASP A 22 3.937 -15.971 -5.780 1.00 0.00 H new ATOM 0 HA ASP A 22 6.616 -15.238 -6.770 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.022 -17.668 -7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.579 -17.155 -8.297 1.00 0.00 H new ATOM 291 N GLU A 23 5.587 -14.650 -9.097 1.00 0.00 N ATOM 292 CA GLU A 23 4.963 -13.926 -10.199 1.00 0.00 C ATOM 293 C GLU A 23 3.559 -14.458 -10.474 1.00 0.00 C ATOM 294 O GLU A 23 2.615 -13.688 -10.647 1.00 0.00 O ATOM 295 CB GLU A 23 5.819 -14.038 -11.462 1.00 0.00 C ATOM 296 CG GLU A 23 7.184 -13.382 -11.333 1.00 0.00 C ATOM 297 CD GLU A 23 8.093 -13.691 -12.506 1.00 0.00 C ATOM 298 OE1 GLU A 23 7.571 -13.917 -13.618 1.00 0.00 O ATOM 299 OE2 GLU A 23 9.327 -13.708 -12.313 1.00 0.00 O ATOM 0 H GLU A 23 6.577 -14.853 -9.232 1.00 0.00 H new ATOM 0 HA GLU A 23 4.886 -12.877 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.953 -15.091 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.284 -13.582 -12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.058 -12.302 -11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.659 -13.719 -10.412 1.00 0.00 H new ATOM 306 N ASN A 24 3.431 -15.780 -10.513 1.00 0.00 N ATOM 307 CA ASN A 24 2.144 -16.416 -10.768 1.00 0.00 C ATOM 308 C ASN A 24 1.099 -15.952 -9.758 1.00 0.00 C ATOM 309 O ASN A 24 -0.057 -15.712 -10.109 1.00 0.00 O ATOM 310 CB ASN A 24 2.283 -17.939 -10.712 1.00 0.00 C ATOM 311 CG ASN A 24 3.540 -18.430 -11.405 1.00 0.00 C ATOM 312 OD1 ASN A 24 3.604 -18.483 -12.633 1.00 0.00 O ATOM 313 ND2 ASN A 24 4.546 -18.793 -10.618 1.00 0.00 N ATOM 0 H ASN A 24 4.203 -16.432 -10.371 1.00 0.00 H new ATOM 0 HA ASN A 24 1.815 -16.125 -11.765 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.295 -18.262 -9.671 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.411 -18.398 -11.178 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.417 -19.133 -11.027 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.448 -18.732 -9.605 1.00 0.00 H new ATOM 320 N PHE A 25 1.512 -15.829 -8.501 1.00 0.00 N ATOM 321 CA PHE A 25 0.612 -15.395 -7.439 1.00 0.00 C ATOM 322 C PHE A 25 0.195 -13.941 -7.640 1.00 0.00 C ATOM 323 O PHE A 25 -0.974 -13.648 -7.891 1.00 0.00 O ATOM 324 CB PHE A 25 1.283 -15.561 -6.073 1.00 0.00 C ATOM 325 CG PHE A 25 0.366 -15.280 -4.917 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.063 -13.989 -4.653 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.067 -16.307 -4.094 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.907 -13.727 -3.591 1.00 0.00 C ATOM 329 CE2 PHE A 25 -0.911 -16.051 -3.030 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.331 -14.760 -2.777 1.00 0.00 C ATOM 0 H PHE A 25 2.465 -16.024 -8.193 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.281 -16.019 -7.476 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.664 -16.579 -5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.142 -14.893 -6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.266 -13.178 -5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.259 -17.319 -4.286 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.235 -12.716 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.242 -16.861 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.989 -14.558 -1.945 1.00 0.00 H new ATOM 340 N ILE A 26 1.160 -13.034 -7.527 1.00 0.00 N ATOM 341 CA ILE A 26 0.894 -11.611 -7.697 1.00 0.00 C ATOM 342 C ILE A 26 -0.032 -11.362 -8.883 1.00 0.00 C ATOM 343 O ILE A 26 -1.021 -10.639 -8.770 1.00 0.00 O ATOM 344 CB ILE A 26 2.197 -10.815 -7.901 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.136 -11.017 -6.710 1.00 0.00 C ATOM 346 CG2 ILE A 26 1.890 -9.338 -8.096 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.631 -10.391 -5.429 1.00 0.00 C ATOM 0 H ILE A 26 2.133 -13.259 -7.319 1.00 0.00 H new ATOM 0 HA ILE A 26 0.409 -11.270 -6.783 1.00 0.00 H new ATOM 0 HB ILE A 26 2.694 -11.184 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.282 -12.085 -6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.112 -10.595 -6.951 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.821 -8.789 -8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.255 -9.211 -8.973 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.374 -8.954 -7.216 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.347 -10.574 -4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.512 -9.317 -5.571 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.670 -10.831 -5.164 1.00 0.00 H new ATOM 359 N SER A 27 0.296 -11.968 -10.020 1.00 0.00 N ATOM 360 CA SER A 27 -0.505 -11.811 -11.228 1.00 0.00 C ATOM 361 C SER A 27 -1.956 -12.207 -10.973 1.00 0.00 C ATOM 362 O SER A 27 -2.883 -11.540 -11.432 1.00 0.00 O ATOM 363 CB SER A 27 0.075 -12.658 -12.363 1.00 0.00 C ATOM 364 OG SER A 27 -0.319 -14.014 -12.240 1.00 0.00 O ATOM 0 H SER A 27 1.111 -12.572 -10.130 1.00 0.00 H new ATOM 0 HA SER A 27 -0.479 -10.761 -11.518 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.260 -12.264 -13.323 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.163 -12.590 -12.353 1.00 0.00 H new ATOM 0 HG SER A 27 -0.098 -14.339 -11.342 1.00 0.00 H new ATOM 370 N ARG A 28 -2.145 -13.298 -10.238 1.00 0.00 N ATOM 371 CA ARG A 28 -3.482 -13.785 -9.922 1.00 0.00 C ATOM 372 C ARG A 28 -4.255 -12.757 -9.100 1.00 0.00 C ATOM 373 O ARG A 28 -5.454 -12.564 -9.298 1.00 0.00 O ATOM 374 CB ARG A 28 -3.399 -15.107 -9.157 1.00 0.00 C ATOM 375 CG ARG A 28 -3.304 -16.327 -10.059 1.00 0.00 C ATOM 376 CD ARG A 28 -3.498 -17.616 -9.275 1.00 0.00 C ATOM 377 NE ARG A 28 -4.804 -17.669 -8.624 1.00 0.00 N ATOM 378 CZ ARG A 28 -5.044 -17.176 -7.414 1.00 0.00 C ATOM 379 NH1 ARG A 28 -4.070 -16.594 -6.727 1.00 0.00 N ATOM 380 NH2 ARG A 28 -6.259 -17.262 -6.889 1.00 0.00 N ATOM 0 H ARG A 28 -1.388 -13.862 -9.850 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.013 -13.949 -10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.530 -15.083 -8.500 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.278 -15.204 -8.520 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.058 -16.260 -10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.332 -16.342 -10.551 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.393 -18.468 -9.947 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.714 -17.704 -8.523 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.575 -18.109 -9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.135 -16.524 -7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.256 -16.216 -5.798 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.011 -17.707 -7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.441 -16.883 -5.960 1.00 0.00 H new ATOM 394 N ALA A 29 -3.559 -12.101 -8.177 1.00 0.00 N ATOM 395 CA ALA A 29 -4.179 -11.093 -7.327 1.00 0.00 C ATOM 396 C ALA A 29 -4.856 -10.012 -8.161 1.00 0.00 C ATOM 397 O ALA A 29 -6.058 -9.775 -8.032 1.00 0.00 O ATOM 398 CB ALA A 29 -3.143 -10.475 -6.400 1.00 0.00 C ATOM 0 H ALA A 29 -2.566 -12.250 -7.999 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.944 -11.583 -6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.620 -9.724 -5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.708 -11.252 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.358 -10.006 -6.993 1.00 0.00 H new ATOM 404 N PHE A 30 -4.079 -9.358 -9.018 1.00 0.00 N ATOM 405 CA PHE A 30 -4.604 -8.300 -9.873 1.00 0.00 C ATOM 406 C PHE A 30 -5.719 -8.829 -10.770 1.00 0.00 C ATOM 407 O PHE A 30 -6.791 -8.231 -10.863 1.00 0.00 O ATOM 408 CB PHE A 30 -3.485 -7.704 -10.730 1.00 0.00 C ATOM 409 CG PHE A 30 -2.615 -6.731 -9.987 1.00 0.00 C ATOM 410 CD1 PHE A 30 -1.503 -7.169 -9.286 1.00 0.00 C ATOM 411 CD2 PHE A 30 -2.909 -5.377 -9.990 1.00 0.00 C ATOM 412 CE1 PHE A 30 -0.700 -6.276 -8.602 1.00 0.00 C ATOM 413 CE2 PHE A 30 -2.110 -4.479 -9.308 1.00 0.00 C ATOM 414 CZ PHE A 30 -1.005 -4.929 -8.612 1.00 0.00 C ATOM 0 H PHE A 30 -3.083 -9.542 -9.139 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.016 -7.520 -9.232 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.864 -8.512 -11.117 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.926 -7.201 -11.591 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.261 -8.221 -9.274 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.772 -5.019 -10.531 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.165 -6.631 -8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.349 -3.426 -9.319 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.381 -4.229 -8.077 1.00 0.00 H new ATOM 424 N ALA A 31 -5.459 -9.954 -11.427 1.00 0.00 N ATOM 425 CA ALA A 31 -6.440 -10.565 -12.315 1.00 0.00 C ATOM 426 C ALA A 31 -7.758 -10.813 -11.589 1.00 0.00 C ATOM 427 O ALA A 31 -8.835 -10.581 -12.138 1.00 0.00 O ATOM 428 CB ALA A 31 -5.896 -11.866 -12.887 1.00 0.00 C ATOM 0 H ALA A 31 -4.577 -10.461 -11.361 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.632 -9.873 -13.135 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.639 -12.312 -13.548 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.985 -11.663 -13.450 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.674 -12.557 -12.073 1.00 0.00 H new ATOM 434 N THR A 32 -7.665 -11.289 -10.351 1.00 0.00 N ATOM 435 CA THR A 32 -8.850 -11.571 -9.550 1.00 0.00 C ATOM 436 C THR A 32 -9.630 -10.295 -9.253 1.00 0.00 C ATOM 437 O THR A 32 -10.858 -10.275 -9.331 1.00 0.00 O ATOM 438 CB THR A 32 -8.479 -12.254 -8.220 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.784 -13.479 -8.475 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.723 -12.534 -7.391 1.00 0.00 C ATOM 0 H THR A 32 -6.781 -11.487 -9.881 1.00 0.00 H new ATOM 0 HA THR A 32 -9.474 -12.246 -10.135 1.00 0.00 H new ATOM 0 HB THR A 32 -7.831 -11.580 -7.659 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.851 -13.284 -8.705 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.437 -13.016 -6.457 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.234 -11.596 -7.173 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.391 -13.190 -7.948 1.00 0.00 H new ATOM 448 N MET A 33 -8.908 -9.232 -8.914 1.00 0.00 N ATOM 449 CA MET A 33 -9.534 -7.950 -8.608 1.00 0.00 C ATOM 450 C MET A 33 -10.129 -7.322 -9.864 1.00 0.00 C ATOM 451 O MET A 33 -10.744 -6.258 -9.805 1.00 0.00 O ATOM 452 CB MET A 33 -8.515 -6.998 -7.980 1.00 0.00 C ATOM 453 CG MET A 33 -8.238 -7.284 -6.513 1.00 0.00 C ATOM 454 SD MET A 33 -9.737 -7.289 -5.511 1.00 0.00 S ATOM 455 CE MET A 33 -9.833 -5.564 -5.038 1.00 0.00 C ATOM 0 H MET A 33 -7.890 -9.232 -8.844 1.00 0.00 H new ATOM 0 HA MET A 33 -10.340 -8.128 -7.896 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.580 -7.061 -8.537 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.877 -5.975 -8.080 1.00 0.00 H new ATOM 0 HG2 MET A 33 -7.742 -8.250 -6.423 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.549 -6.534 -6.125 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.833 -5.344 -4.664 1.00 0.00 H new ATOM 0 HE2 MET A 33 -9.101 -5.360 -4.257 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.624 -4.937 -5.905 1.00 0.00 H new ATOM 465 N GLY A 34 -9.941 -7.987 -10.999 1.00 0.00 N ATOM 466 CA GLY A 34 -10.465 -7.477 -12.253 1.00 0.00 C ATOM 467 C GLY A 34 -9.499 -6.537 -12.945 1.00 0.00 C ATOM 468 O GLY A 34 -9.906 -5.513 -13.494 1.00 0.00 O ATOM 0 H GLY A 34 -9.435 -8.870 -11.073 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.691 -8.313 -12.915 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -11.404 -6.955 -12.066 1.00 0.00 H new ATOM 472 N GLU A 35 -8.215 -6.883 -12.919 1.00 0.00 N ATOM 473 CA GLU A 35 -7.189 -6.060 -13.547 1.00 0.00 C ATOM 474 C GLU A 35 -6.211 -6.921 -14.341 1.00 0.00 C ATOM 475 O GLU A 35 -5.804 -7.993 -13.892 1.00 0.00 O ATOM 476 CB GLU A 35 -6.433 -5.253 -12.489 1.00 0.00 C ATOM 477 CG GLU A 35 -7.145 -3.977 -12.073 1.00 0.00 C ATOM 478 CD GLU A 35 -7.243 -2.969 -13.202 1.00 0.00 C ATOM 479 OE1 GLU A 35 -6.377 -2.998 -14.101 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.187 -2.151 -13.186 1.00 0.00 O ATOM 0 H GLU A 35 -7.861 -7.728 -12.470 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.682 -5.373 -14.235 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.280 -5.877 -11.609 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.446 -4.999 -12.875 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.147 -4.223 -11.722 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.615 -3.527 -11.234 1.00 0.00 H new ATOM 487 N THR A 36 -5.838 -6.444 -15.524 1.00 0.00 N ATOM 488 CA THR A 36 -4.909 -7.169 -16.382 1.00 0.00 C ATOM 489 C THR A 36 -3.481 -6.672 -16.191 1.00 0.00 C ATOM 490 O THR A 36 -3.077 -5.671 -16.783 1.00 0.00 O ATOM 491 CB THR A 36 -5.294 -7.034 -17.868 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.660 -7.420 -18.057 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.392 -7.893 -18.741 1.00 0.00 C ATOM 0 H THR A 36 -6.165 -5.558 -15.910 1.00 0.00 H new ATOM 0 HA THR A 36 -4.966 -8.219 -16.094 1.00 0.00 H new ATOM 0 HB THR A 36 -5.168 -5.991 -18.160 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.897 -7.330 -19.004 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.683 -7.781 -19.785 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.356 -7.576 -18.617 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.489 -8.938 -18.447 1.00 0.00 H new ATOM 501 N VAL A 37 -2.719 -7.378 -15.362 1.00 0.00 N ATOM 502 CA VAL A 37 -1.334 -7.008 -15.095 1.00 0.00 C ATOM 503 C VAL A 37 -0.446 -7.298 -16.299 1.00 0.00 C ATOM 504 O VAL A 37 -0.678 -8.255 -17.038 1.00 0.00 O ATOM 505 CB VAL A 37 -0.780 -7.759 -13.869 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.458 -9.202 -14.227 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.450 -7.050 -13.322 1.00 0.00 C ATOM 0 H VAL A 37 -3.037 -8.209 -14.864 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.325 -5.937 -14.891 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.544 -7.765 -13.092 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.068 -9.716 -13.349 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.364 -9.703 -14.569 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.289 -9.222 -15.021 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.828 -7.594 -12.456 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.221 -7.012 -14.092 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.183 -6.036 -13.025 1.00 0.00 H new ATOM 517 N MET A 38 0.573 -6.466 -16.490 1.00 0.00 N ATOM 518 CA MET A 38 1.498 -6.635 -17.605 1.00 0.00 C ATOM 519 C MET A 38 2.619 -7.602 -17.239 1.00 0.00 C ATOM 520 O MET A 38 2.880 -8.565 -17.959 1.00 0.00 O ATOM 521 CB MET A 38 2.087 -5.284 -18.015 1.00 0.00 C ATOM 522 CG MET A 38 1.072 -4.345 -18.648 1.00 0.00 C ATOM 523 SD MET A 38 0.418 -4.977 -20.205 1.00 0.00 S ATOM 524 CE MET A 38 -1.343 -4.794 -19.931 1.00 0.00 C ATOM 0 H MET A 38 0.779 -5.669 -15.888 1.00 0.00 H new ATOM 0 HA MET A 38 0.943 -7.052 -18.446 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.517 -4.803 -17.136 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.903 -5.451 -18.718 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.249 -4.183 -17.952 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.539 -3.375 -18.821 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.886 -5.144 -20.809 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.639 -5.383 -19.063 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.577 -3.744 -19.754 1.00 0.00 H new ATOM 534 N SER A 39 3.280 -7.338 -16.117 1.00 0.00 N ATOM 535 CA SER A 39 4.376 -8.182 -15.658 1.00 0.00 C ATOM 536 C SER A 39 4.658 -7.950 -14.177 1.00 0.00 C ATOM 537 O SER A 39 4.233 -6.949 -13.602 1.00 0.00 O ATOM 538 CB SER A 39 5.638 -7.907 -16.479 1.00 0.00 C ATOM 539 OG SER A 39 6.183 -6.637 -16.165 1.00 0.00 O ATOM 0 H SER A 39 3.075 -6.545 -15.509 1.00 0.00 H new ATOM 0 HA SER A 39 4.082 -9.223 -15.795 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.379 -8.683 -16.284 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.401 -7.952 -17.542 1.00 0.00 H new ATOM 0 HG SER A 39 6.989 -6.485 -16.701 1.00 0.00 H new ATOM 545 N VAL A 40 5.380 -8.884 -13.565 1.00 0.00 N ATOM 546 CA VAL A 40 5.720 -8.782 -12.151 1.00 0.00 C ATOM 547 C VAL A 40 7.133 -9.291 -11.888 1.00 0.00 C ATOM 548 O VAL A 40 7.556 -10.302 -12.450 1.00 0.00 O ATOM 549 CB VAL A 40 4.730 -9.575 -11.276 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.366 -10.893 -11.943 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.314 -9.811 -9.892 1.00 0.00 C ATOM 0 H VAL A 40 5.740 -9.719 -14.026 1.00 0.00 H new ATOM 0 HA VAL A 40 5.661 -7.726 -11.887 1.00 0.00 H new ATOM 0 HB VAL A 40 3.818 -8.988 -11.165 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.666 -11.440 -11.311 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.904 -10.696 -12.910 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.267 -11.489 -12.086 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.602 -10.372 -9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.241 -10.378 -9.980 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.519 -8.852 -9.415 1.00 0.00 H new ATOM 561 N LYS A 41 7.861 -8.584 -11.030 1.00 0.00 N ATOM 562 CA LYS A 41 9.227 -8.964 -10.690 1.00 0.00 C ATOM 563 C LYS A 41 9.392 -9.107 -9.180 1.00 0.00 C ATOM 564 O LYS A 41 9.159 -8.159 -8.429 1.00 0.00 O ATOM 565 CB LYS A 41 10.215 -7.925 -11.225 1.00 0.00 C ATOM 566 CG LYS A 41 11.577 -8.502 -11.568 1.00 0.00 C ATOM 567 CD LYS A 41 12.341 -7.600 -12.523 1.00 0.00 C ATOM 568 CE LYS A 41 12.983 -6.431 -11.792 1.00 0.00 C ATOM 569 NZ LYS A 41 14.013 -5.753 -12.627 1.00 0.00 N ATOM 0 H LYS A 41 7.527 -7.744 -10.557 1.00 0.00 H new ATOM 0 HA LYS A 41 9.436 -9.928 -11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.793 -7.459 -12.115 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.340 -7.138 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.156 -8.639 -10.654 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.453 -9.487 -12.018 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.111 -8.178 -13.034 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.664 -7.223 -13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.214 -5.712 -11.510 1.00 0.00 H new ATOM 0 HE3 LYS A 41 13.441 -6.787 -10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 14.427 -4.962 -12.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.761 -6.432 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.572 -5.391 -13.496 1.00 0.00 H new ATOM 583 N ILE A 42 9.795 -10.295 -8.744 1.00 0.00 N ATOM 584 CA ILE A 42 9.993 -10.560 -7.324 1.00 0.00 C ATOM 585 C ILE A 42 11.453 -10.369 -6.928 1.00 0.00 C ATOM 586 O ILE A 42 12.335 -11.085 -7.404 1.00 0.00 O ATOM 587 CB ILE A 42 9.554 -11.989 -6.952 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.180 -12.296 -7.549 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.530 -12.158 -5.440 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.032 -11.703 -6.762 1.00 0.00 C ATOM 0 H ILE A 42 9.991 -11.089 -9.353 1.00 0.00 H new ATOM 0 HA ILE A 42 9.375 -9.846 -6.780 1.00 0.00 H new ATOM 0 HB ILE A 42 10.275 -12.694 -7.366 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.144 -11.917 -8.570 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.051 -13.377 -7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.218 -13.173 -5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.527 -11.976 -5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.828 -11.446 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.089 -11.961 -7.244 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.042 -12.101 -5.747 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.137 -10.619 -6.727 1.00 0.00 H new ATOM 602 N ILE A 43 11.701 -9.401 -6.052 1.00 0.00 N ATOM 603 CA ILE A 43 13.054 -9.118 -5.589 1.00 0.00 C ATOM 604 C ILE A 43 13.509 -10.147 -4.560 1.00 0.00 C ATOM 605 O ILE A 43 12.945 -10.241 -3.470 1.00 0.00 O ATOM 606 CB ILE A 43 13.155 -7.711 -4.971 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.629 -6.661 -5.952 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.593 -7.406 -4.580 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.266 -6.741 -7.322 1.00 0.00 C ATOM 0 H ILE A 43 10.983 -8.800 -5.649 1.00 0.00 H new ATOM 0 HA ILE A 43 13.704 -9.169 -6.463 1.00 0.00 H new ATOM 0 HB ILE A 43 12.541 -7.680 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.550 -6.779 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.803 -5.668 -5.537 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.648 -6.408 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.935 -8.140 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.228 -7.451 -5.465 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.845 -5.968 -7.965 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.342 -6.593 -7.232 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.070 -7.721 -7.758 1.00 0.00 H new ATOM 621 N ARG A 44 14.534 -10.916 -4.914 1.00 0.00 N ATOM 622 CA ARG A 44 15.067 -11.938 -4.021 1.00 0.00 C ATOM 623 C ARG A 44 16.589 -11.856 -3.947 1.00 0.00 C ATOM 624 O ARG A 44 17.233 -11.293 -4.831 1.00 0.00 O ATOM 625 CB ARG A 44 14.642 -13.329 -4.493 1.00 0.00 C ATOM 626 CG ARG A 44 13.198 -13.399 -4.963 1.00 0.00 C ATOM 627 CD ARG A 44 12.665 -14.822 -4.916 1.00 0.00 C ATOM 628 NE ARG A 44 11.332 -14.927 -5.502 1.00 0.00 N ATOM 629 CZ ARG A 44 11.110 -15.070 -6.804 1.00 0.00 C ATOM 630 NH1 ARG A 44 12.129 -15.126 -7.651 1.00 0.00 N ATOM 631 NH2 ARG A 44 9.867 -15.158 -7.261 1.00 0.00 N ATOM 0 H ARG A 44 15.012 -10.851 -5.813 1.00 0.00 H new ATOM 0 HA ARG A 44 14.663 -11.761 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.296 -13.642 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.785 -14.039 -3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.579 -12.757 -4.337 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.127 -13.016 -5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.348 -15.483 -5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 44 12.634 -15.163 -3.881 1.00 0.00 H new ATOM 0 HE ARG A 44 10.527 -14.888 -4.877 1.00 0.00 H new ATOM 0 HH11 ARG A 44 13.086 -15.059 -7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.956 -15.236 -8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.081 -15.116 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.698 -15.268 -8.261 1.00 0.00 H new ATOM 645 N ASN A 45 17.156 -12.422 -2.887 1.00 0.00 N ATOM 646 CA ASN A 45 18.602 -12.412 -2.697 1.00 0.00 C ATOM 647 C ASN A 45 19.276 -13.435 -3.606 1.00 0.00 C ATOM 648 O ASN A 45 18.608 -14.228 -4.269 1.00 0.00 O ATOM 649 CB ASN A 45 18.947 -12.706 -1.236 1.00 0.00 C ATOM 650 CG ASN A 45 20.231 -12.028 -0.797 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.782 -11.194 -1.516 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.712 -12.382 0.388 1.00 0.00 N ATOM 0 H ASN A 45 16.637 -12.893 -2.146 1.00 0.00 H new ATOM 0 HA ASN A 45 18.972 -11.420 -2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.128 -12.374 -0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.042 -13.783 -1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.572 -11.958 0.737 1.00 0.00 H new ATOM 0 HD22 ASN A 45 20.222 -13.078 0.950 1.00 0.00 H new ATOM 659 N ARG A 46 20.605 -13.410 -3.631 1.00 0.00 N ATOM 660 CA ARG A 46 21.371 -14.335 -4.459 1.00 0.00 C ATOM 661 C ARG A 46 21.832 -15.539 -3.645 1.00 0.00 C ATOM 662 O ARG A 46 21.845 -16.668 -4.138 1.00 0.00 O ATOM 663 CB ARG A 46 22.580 -13.624 -5.069 1.00 0.00 C ATOM 664 CG ARG A 46 22.999 -14.184 -6.419 1.00 0.00 C ATOM 665 CD ARG A 46 23.868 -15.422 -6.263 1.00 0.00 C ATOM 666 NE ARG A 46 25.141 -15.119 -5.615 1.00 0.00 N ATOM 667 CZ ARG A 46 26.146 -14.500 -6.224 1.00 0.00 C ATOM 668 NH1 ARG A 46 26.027 -14.120 -7.489 1.00 0.00 N ATOM 669 NH2 ARG A 46 27.274 -14.260 -5.568 1.00 0.00 N ATOM 0 H ARG A 46 21.173 -12.760 -3.088 1.00 0.00 H new ATOM 0 HA ARG A 46 20.723 -14.688 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.350 -12.564 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.420 -13.697 -4.378 1.00 0.00 H new ATOM 0 HG2 ARG A 46 22.112 -14.432 -7.002 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.545 -13.423 -6.976 1.00 0.00 H new ATOM 0 HD2 ARG A 46 23.332 -16.169 -5.678 1.00 0.00 H new ATOM 0 HD3 ARG A 46 24.055 -15.859 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 46 25.265 -15.398 -4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 46 25.162 -14.303 -7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 46 26.801 -13.645 -7.954 1.00 0.00 H new ATOM 0 HH21 ARG A 46 27.370 -14.551 -4.595 1.00 0.00 H new ATOM 0 HH22 ARG A 46 28.045 -13.785 -6.037 1.00 0.00 H new ATOM 683 N LEU A 47 22.211 -15.292 -2.396 1.00 0.00 N ATOM 684 CA LEU A 47 22.675 -16.357 -1.512 1.00 0.00 C ATOM 685 C LEU A 47 21.501 -17.024 -0.802 1.00 0.00 C ATOM 686 O LEU A 47 21.371 -18.249 -0.810 1.00 0.00 O ATOM 687 CB LEU A 47 23.659 -15.799 -0.482 1.00 0.00 C ATOM 688 CG LEU A 47 25.084 -15.555 -0.980 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.868 -14.731 0.030 1.00 0.00 C ATOM 690 CD2 LEU A 47 25.787 -16.876 -1.254 1.00 0.00 C ATOM 0 H LEU A 47 22.206 -14.364 -1.972 1.00 0.00 H new ATOM 0 HA LEU A 47 23.182 -17.106 -2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.262 -14.858 -0.102 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.703 -16.489 0.360 1.00 0.00 H new ATOM 0 HG LEU A 47 25.031 -14.994 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.880 -14.567 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 47 25.375 -13.770 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.912 -15.265 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.800 -16.683 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 47 25.829 -17.463 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.237 -17.430 -2.015 1.00 0.00 H new ATOM 702 N THR A 48 20.647 -16.211 -0.189 1.00 0.00 N ATOM 703 CA THR A 48 19.484 -16.721 0.525 1.00 0.00 C ATOM 704 C THR A 48 18.335 -17.014 -0.433 1.00 0.00 C ATOM 705 O THR A 48 17.503 -17.883 -0.174 1.00 0.00 O ATOM 706 CB THR A 48 19.001 -15.726 1.598 1.00 0.00 C ATOM 707 OG1 THR A 48 18.708 -14.461 0.995 1.00 0.00 O ATOM 708 CG2 THR A 48 20.053 -15.547 2.681 1.00 0.00 C ATOM 0 H THR A 48 20.739 -15.195 -0.173 1.00 0.00 H new ATOM 0 HA THR A 48 19.794 -17.646 1.011 1.00 0.00 H new ATOM 0 HB THR A 48 18.097 -16.128 2.056 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.400 -13.834 1.683 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.690 -14.840 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.252 -16.507 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.972 -15.165 2.236 1.00 0.00 H new ATOM 716 N GLY A 49 18.295 -16.283 -1.543 1.00 0.00 N ATOM 717 CA GLY A 49 17.244 -16.481 -2.525 1.00 0.00 C ATOM 718 C GLY A 49 15.878 -16.090 -1.997 1.00 0.00 C ATOM 719 O GLY A 49 14.872 -16.241 -2.690 1.00 0.00 O ATOM 0 H GLY A 49 18.971 -15.557 -1.780 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.468 -15.894 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.227 -17.528 -2.829 1.00 0.00 H new ATOM 723 N ILE A 50 15.842 -15.588 -0.767 1.00 0.00 N ATOM 724 CA ILE A 50 14.589 -15.176 -0.148 1.00 0.00 C ATOM 725 C ILE A 50 14.110 -13.842 -0.711 1.00 0.00 C ATOM 726 O ILE A 50 14.890 -12.913 -0.921 1.00 0.00 O ATOM 727 CB ILE A 50 14.730 -15.054 1.381 1.00 0.00 C ATOM 728 CG1 ILE A 50 15.124 -16.402 1.988 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.431 -14.550 1.994 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.232 -16.377 3.496 1.00 0.00 C ATOM 0 H ILE A 50 16.666 -15.457 -0.180 1.00 0.00 H new ATOM 0 HA ILE A 50 13.855 -15.949 -0.377 1.00 0.00 H new ATOM 0 HB ILE A 50 15.517 -14.333 1.602 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.388 -17.151 1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.080 -16.715 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.546 -14.469 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.189 -13.571 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.626 -15.249 1.766 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.515 -17.366 3.857 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.989 -15.652 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.270 -16.095 3.925 1.00 0.00 H new ATOM 742 N PRO A 51 12.796 -13.742 -0.960 1.00 0.00 N ATOM 743 CA PRO A 51 12.183 -12.525 -1.500 1.00 0.00 C ATOM 744 C PRO A 51 12.178 -11.382 -0.491 1.00 0.00 C ATOM 745 O PRO A 51 11.582 -11.490 0.581 1.00 0.00 O ATOM 746 CB PRO A 51 10.751 -12.961 -1.821 1.00 0.00 C ATOM 747 CG PRO A 51 10.489 -14.106 -0.904 1.00 0.00 C ATOM 748 CD PRO A 51 11.807 -14.810 -0.734 1.00 0.00 C ATOM 0 HA PRO A 51 12.729 -12.141 -2.362 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.043 -12.149 -1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.653 -13.259 -2.865 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.106 -13.758 0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.739 -14.777 -1.322 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.905 -15.245 0.261 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.923 -15.624 -1.450 1.00 0.00 H new ATOM 756 N ALA A 52 12.844 -10.287 -0.841 1.00 0.00 N ATOM 757 CA ALA A 52 12.914 -9.123 0.034 1.00 0.00 C ATOM 758 C ALA A 52 11.576 -8.872 0.722 1.00 0.00 C ATOM 759 O ALA A 52 11.526 -8.321 1.821 1.00 0.00 O ATOM 760 CB ALA A 52 13.342 -7.894 -0.755 1.00 0.00 C ATOM 0 H ALA A 52 13.343 -10.181 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 52 13.658 -9.324 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.390 -7.033 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.324 -8.068 -1.195 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.619 -7.700 -1.547 1.00 0.00 H new ATOM 766 N GLY A 53 10.493 -9.280 0.067 1.00 0.00 N ATOM 767 CA GLY A 53 9.170 -9.090 0.631 1.00 0.00 C ATOM 768 C GLY A 53 8.311 -8.162 -0.204 1.00 0.00 C ATOM 769 O GLY A 53 7.191 -7.827 0.181 1.00 0.00 O ATOM 0 H GLY A 53 10.509 -9.739 -0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.674 -10.057 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.263 -8.685 1.639 1.00 0.00 H new ATOM 773 N TYR A 54 8.837 -7.743 -1.350 1.00 0.00 N ATOM 774 CA TYR A 54 8.113 -6.844 -2.240 1.00 0.00 C ATOM 775 C TYR A 54 8.381 -7.192 -3.701 1.00 0.00 C ATOM 776 O TYR A 54 9.379 -7.838 -4.025 1.00 0.00 O ATOM 777 CB TYR A 54 8.512 -5.393 -1.968 1.00 0.00 C ATOM 778 CG TYR A 54 9.887 -5.035 -2.487 1.00 0.00 C ATOM 779 CD1 TYR A 54 11.027 -5.328 -1.749 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.045 -4.404 -3.715 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.285 -5.002 -2.219 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.299 -4.076 -4.193 1.00 0.00 C ATOM 783 CZ TYR A 54 12.415 -4.377 -3.442 1.00 0.00 C ATOM 784 OH TYR A 54 13.666 -4.051 -3.914 1.00 0.00 O ATOM 0 H TYR A 54 9.762 -8.012 -1.684 1.00 0.00 H new ATOM 0 HA TYR A 54 7.047 -6.963 -2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.777 -4.731 -2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.480 -5.211 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.928 -5.819 -0.792 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.173 -4.166 -4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.161 -5.235 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.404 -3.586 -5.150 1.00 0.00 H new ATOM 0 HH TYR A 54 13.583 -3.618 -4.789 1.00 0.00 H new ATOM 794 N CYS A 55 7.484 -6.758 -4.580 1.00 0.00 N ATOM 795 CA CYS A 55 7.622 -7.022 -6.008 1.00 0.00 C ATOM 796 C CYS A 55 7.098 -5.850 -6.831 1.00 0.00 C ATOM 797 O CYS A 55 6.212 -5.116 -6.392 1.00 0.00 O ATOM 798 CB CYS A 55 6.873 -8.301 -6.385 1.00 0.00 C ATOM 799 SG CYS A 55 5.108 -8.060 -6.691 1.00 0.00 S ATOM 0 H CYS A 55 6.653 -6.222 -4.329 1.00 0.00 H new ATOM 0 HA CYS A 55 8.682 -7.151 -6.228 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.331 -8.727 -7.278 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.996 -9.030 -5.584 1.00 0.00 H new ATOM 0 HG CYS A 55 4.946 -7.392 -7.795 1.00 0.00 H new ATOM 805 N PHE A 56 7.653 -5.678 -8.026 1.00 0.00 N ATOM 806 CA PHE A 56 7.244 -4.593 -8.910 1.00 0.00 C ATOM 807 C PHE A 56 6.268 -5.094 -9.971 1.00 0.00 C ATOM 808 O PHE A 56 6.424 -6.192 -10.506 1.00 0.00 O ATOM 809 CB PHE A 56 8.467 -3.966 -9.582 1.00 0.00 C ATOM 810 CG PHE A 56 9.355 -3.216 -8.631 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.924 -2.039 -8.042 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.622 -3.688 -8.327 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.739 -1.346 -7.166 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.441 -3.001 -7.452 1.00 0.00 C ATOM 815 CZ PHE A 56 10.999 -1.828 -6.871 1.00 0.00 C ATOM 0 H PHE A 56 8.387 -6.276 -8.405 1.00 0.00 H new ATOM 0 HA PHE A 56 6.741 -3.837 -8.307 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.048 -4.751 -10.066 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.132 -3.287 -10.366 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.939 -1.658 -8.270 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.973 -4.604 -8.779 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.391 -0.429 -6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.426 -3.380 -7.222 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.638 -1.289 -6.187 1.00 0.00 H new ATOM 825 N VAL A 57 5.259 -4.282 -10.269 1.00 0.00 N ATOM 826 CA VAL A 57 4.257 -4.641 -11.265 1.00 0.00 C ATOM 827 C VAL A 57 4.222 -3.624 -12.401 1.00 0.00 C ATOM 828 O VAL A 57 4.137 -2.420 -12.166 1.00 0.00 O ATOM 829 CB VAL A 57 2.854 -4.742 -10.638 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.558 -6.174 -10.219 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.730 -3.795 -9.455 1.00 0.00 C ATOM 0 H VAL A 57 5.114 -3.371 -9.835 1.00 0.00 H new ATOM 0 HA VAL A 57 4.541 -5.616 -11.662 1.00 0.00 H new ATOM 0 HB VAL A 57 2.118 -4.449 -11.387 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.562 -6.226 -9.778 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.603 -6.825 -11.092 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.297 -6.499 -9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.732 -3.880 -9.024 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.474 -4.055 -8.702 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.895 -2.771 -9.790 1.00 0.00 H new ATOM 841 N GLU A 58 4.288 -4.120 -13.633 1.00 0.00 N ATOM 842 CA GLU A 58 4.265 -3.253 -14.806 1.00 0.00 C ATOM 843 C GLU A 58 2.845 -3.105 -15.345 1.00 0.00 C ATOM 844 O GLU A 58 2.003 -3.984 -15.157 1.00 0.00 O ATOM 845 CB GLU A 58 5.181 -3.811 -15.898 1.00 0.00 C ATOM 846 CG GLU A 58 5.635 -2.766 -16.903 1.00 0.00 C ATOM 847 CD GLU A 58 6.990 -3.085 -17.504 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.974 -3.166 -16.739 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.067 -3.255 -18.739 1.00 0.00 O ATOM 0 H GLU A 58 4.358 -5.115 -13.844 1.00 0.00 H new ATOM 0 HA GLU A 58 4.626 -2.269 -14.506 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.058 -4.259 -15.431 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.659 -4.609 -16.426 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.897 -2.690 -17.701 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.678 -1.792 -16.415 1.00 0.00 H new ATOM 856 N PHE A 59 2.586 -1.987 -16.014 1.00 0.00 N ATOM 857 CA PHE A 59 1.268 -1.722 -16.579 1.00 0.00 C ATOM 858 C PHE A 59 1.384 -0.977 -17.905 1.00 0.00 C ATOM 859 O PHE A 59 2.485 -0.664 -18.359 1.00 0.00 O ATOM 860 CB PHE A 59 0.423 -0.908 -15.596 1.00 0.00 C ATOM 861 CG PHE A 59 -0.062 -1.706 -14.419 1.00 0.00 C ATOM 862 CD1 PHE A 59 -1.171 -2.529 -14.533 1.00 0.00 C ATOM 863 CD2 PHE A 59 0.591 -1.633 -13.200 1.00 0.00 C ATOM 864 CE1 PHE A 59 -1.620 -3.263 -13.452 1.00 0.00 C ATOM 865 CE2 PHE A 59 0.147 -2.365 -12.115 1.00 0.00 C ATOM 866 CZ PHE A 59 -0.960 -3.182 -12.241 1.00 0.00 C ATOM 0 H PHE A 59 3.271 -1.250 -16.178 1.00 0.00 H new ATOM 0 HA PHE A 59 0.780 -2.679 -16.762 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.011 -0.064 -15.235 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.437 -0.495 -16.124 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.690 -2.597 -15.478 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.457 -0.997 -13.096 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.486 -3.900 -13.554 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.665 -2.298 -11.170 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.308 -3.756 -11.395 1.00 0.00 H new ATOM 876 N ALA A 60 0.241 -0.696 -18.522 1.00 0.00 N ATOM 877 CA ALA A 60 0.214 0.013 -19.795 1.00 0.00 C ATOM 878 C ALA A 60 0.949 1.345 -19.697 1.00 0.00 C ATOM 879 O ALA A 60 1.866 1.617 -20.473 1.00 0.00 O ATOM 880 CB ALA A 60 -1.223 0.233 -20.245 1.00 0.00 C ATOM 0 H ALA A 60 -0.679 -0.949 -18.161 1.00 0.00 H new ATOM 0 HA ALA A 60 0.726 -0.601 -20.536 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.229 0.764 -21.197 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.719 -0.730 -20.363 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.752 0.824 -19.497 1.00 0.00 H new ATOM 886 N ASP A 61 0.542 2.172 -18.740 1.00 0.00 N ATOM 887 CA ASP A 61 1.163 3.476 -18.541 1.00 0.00 C ATOM 888 C ASP A 61 0.880 4.004 -17.138 1.00 0.00 C ATOM 889 O ASP A 61 0.180 3.365 -16.352 1.00 0.00 O ATOM 890 CB ASP A 61 0.656 4.471 -19.586 1.00 0.00 C ATOM 891 CG ASP A 61 0.522 3.848 -20.962 1.00 0.00 C ATOM 892 OD1 ASP A 61 1.540 3.776 -21.683 1.00 0.00 O ATOM 893 OD2 ASP A 61 -0.600 3.431 -21.317 1.00 0.00 O ATOM 0 H ASP A 61 -0.215 1.962 -18.090 1.00 0.00 H new ATOM 0 HA ASP A 61 2.241 3.359 -18.655 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.312 4.862 -19.272 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.340 5.318 -19.639 1.00 0.00 H new ATOM 898 N LEU A 62 1.429 5.174 -16.830 1.00 0.00 N ATOM 899 CA LEU A 62 1.237 5.788 -15.521 1.00 0.00 C ATOM 900 C LEU A 62 -0.247 5.962 -15.214 1.00 0.00 C ATOM 901 O LEU A 62 -0.726 5.541 -14.161 1.00 0.00 O ATOM 902 CB LEU A 62 1.943 7.144 -15.463 1.00 0.00 C ATOM 903 CG LEU A 62 1.815 7.912 -14.147 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.614 7.227 -13.049 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.274 9.352 -14.324 1.00 0.00 C ATOM 0 H LEU A 62 2.011 5.716 -17.469 1.00 0.00 H new ATOM 0 HA LEU A 62 1.670 5.127 -14.770 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.002 6.989 -15.668 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.551 7.770 -16.265 1.00 0.00 H new ATOM 0 HG LEU A 62 0.765 7.919 -13.853 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.511 7.788 -12.120 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.239 6.214 -12.905 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.665 7.188 -13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.176 9.884 -13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.317 9.365 -14.642 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.658 9.840 -15.080 1.00 0.00 H new ATOM 917 N ALA A 63 -0.969 6.583 -16.140 1.00 0.00 N ATOM 918 CA ALA A 63 -2.399 6.808 -15.971 1.00 0.00 C ATOM 919 C ALA A 63 -3.085 5.573 -15.395 1.00 0.00 C ATOM 920 O ALA A 63 -3.669 5.622 -14.312 1.00 0.00 O ATOM 921 CB ALA A 63 -3.034 7.196 -17.298 1.00 0.00 C ATOM 0 H ALA A 63 -0.587 6.940 -17.016 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.531 7.628 -15.265 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.102 7.361 -17.156 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.572 8.111 -17.669 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.884 6.395 -18.021 1.00 0.00 H new ATOM 927 N THR A 64 -3.010 4.466 -16.127 1.00 0.00 N ATOM 928 CA THR A 64 -3.625 3.219 -15.690 1.00 0.00 C ATOM 929 C THR A 64 -3.099 2.795 -14.324 1.00 0.00 C ATOM 930 O THR A 64 -3.852 2.304 -13.483 1.00 0.00 O ATOM 931 CB THR A 64 -3.371 2.083 -16.700 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.949 2.416 -17.967 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.957 0.772 -16.199 1.00 0.00 C ATOM 0 H THR A 64 -2.530 4.408 -17.025 1.00 0.00 H new ATOM 0 HA THR A 64 -4.697 3.403 -15.622 1.00 0.00 H new ATOM 0 HB THR A 64 -2.294 1.961 -16.813 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.782 1.690 -18.604 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.765 -0.015 -16.929 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.494 0.506 -15.249 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.032 0.884 -16.060 1.00 0.00 H new ATOM 941 N ALA A 65 -1.802 2.989 -14.108 1.00 0.00 N ATOM 942 CA ALA A 65 -1.177 2.629 -12.842 1.00 0.00 C ATOM 943 C ALA A 65 -1.876 3.311 -11.670 1.00 0.00 C ATOM 944 O ALA A 65 -2.124 2.689 -10.638 1.00 0.00 O ATOM 945 CB ALA A 65 0.301 2.994 -12.861 1.00 0.00 C ATOM 0 H ALA A 65 -1.164 3.393 -14.794 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.274 1.551 -12.711 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.756 2.720 -11.909 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.798 2.457 -13.669 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.409 4.067 -13.019 1.00 0.00 H new ATOM 951 N GLU A 66 -2.191 4.591 -11.839 1.00 0.00 N ATOM 952 CA GLU A 66 -2.861 5.356 -10.794 1.00 0.00 C ATOM 953 C GLU A 66 -4.192 4.713 -10.417 1.00 0.00 C ATOM 954 O GLU A 66 -4.357 4.203 -9.309 1.00 0.00 O ATOM 955 CB GLU A 66 -3.090 6.798 -11.253 1.00 0.00 C ATOM 956 CG GLU A 66 -1.937 7.732 -10.926 1.00 0.00 C ATOM 957 CD GLU A 66 -1.902 8.952 -11.825 1.00 0.00 C ATOM 958 OE1 GLU A 66 -2.760 9.843 -11.650 1.00 0.00 O ATOM 959 OE2 GLU A 66 -1.017 9.016 -12.703 1.00 0.00 O ATOM 0 H GLU A 66 -1.993 5.120 -12.689 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.218 5.361 -9.914 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.258 6.805 -12.330 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.998 7.179 -10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.018 8.053 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.997 7.189 -11.020 1.00 0.00 H new ATOM 966 N LYS A 67 -5.140 4.742 -11.347 1.00 0.00 N ATOM 967 CA LYS A 67 -6.458 4.161 -11.116 1.00 0.00 C ATOM 968 C LYS A 67 -6.342 2.700 -10.694 1.00 0.00 C ATOM 969 O LYS A 67 -7.186 2.189 -9.956 1.00 0.00 O ATOM 970 CB LYS A 67 -7.316 4.272 -12.378 1.00 0.00 C ATOM 971 CG LYS A 67 -7.549 5.703 -12.832 1.00 0.00 C ATOM 972 CD LYS A 67 -6.469 6.165 -13.796 1.00 0.00 C ATOM 973 CE LYS A 67 -7.004 7.193 -14.781 1.00 0.00 C ATOM 974 NZ LYS A 67 -7.866 6.568 -15.822 1.00 0.00 N ATOM 0 H LYS A 67 -5.021 5.162 -12.269 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.936 4.717 -10.310 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.835 3.718 -13.184 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.280 3.796 -12.195 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.524 5.779 -13.313 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.570 6.362 -11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.639 6.594 -13.235 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.075 5.307 -14.341 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.575 7.949 -14.242 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.170 7.705 -15.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.016 7.242 -16.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.402 5.713 -16.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.783 6.311 -15.405 1.00 0.00 H new ATOM 988 N CYS A 68 -5.294 2.034 -11.164 1.00 0.00 N ATOM 989 CA CYS A 68 -5.068 0.632 -10.834 1.00 0.00 C ATOM 990 C CYS A 68 -4.501 0.489 -9.425 1.00 0.00 C ATOM 991 O CYS A 68 -4.606 -0.571 -8.807 1.00 0.00 O ATOM 992 CB CYS A 68 -4.115 -0.005 -11.847 1.00 0.00 C ATOM 993 SG CYS A 68 -4.073 -1.812 -11.786 1.00 0.00 S ATOM 0 H CYS A 68 -4.587 2.442 -11.775 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.027 0.116 -10.874 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.406 0.307 -12.850 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.109 0.377 -11.674 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.922 -2.234 -12.219 1.00 0.00 H new ATOM 999 N LEU A 69 -3.899 1.561 -8.924 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.313 1.556 -7.588 1.00 0.00 C ATOM 1001 C LEU A 69 -4.301 2.093 -6.558 1.00 0.00 C ATOM 1002 O LEU A 69 -4.307 1.663 -5.404 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.032 2.392 -7.568 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.694 3.069 -6.239 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -1.053 2.075 -5.282 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.776 4.261 -6.466 1.00 0.00 C ATOM 0 H LEU A 69 -3.804 2.446 -9.423 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.071 0.526 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.198 1.749 -7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.112 3.162 -8.335 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.620 3.429 -5.791 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.819 2.574 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.744 1.253 -5.095 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.136 1.685 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.546 4.730 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.148 3.924 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.271 4.983 -7.115 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.138 3.035 -6.983 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.133 3.630 -6.098 1.00 0.00 C ATOM 1020 C HIS A 70 -7.374 2.747 -6.006 1.00 0.00 C ATOM 1021 O HIS A 70 -8.222 2.939 -5.133 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.520 5.024 -6.594 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.452 6.052 -6.382 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.599 7.124 -5.527 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.215 6.168 -6.919 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.499 7.856 -5.549 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.643 7.297 -6.385 1.00 0.00 N ATOM 0 H HIS A 70 -5.147 3.402 -7.935 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.694 3.716 -5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.755 4.970 -7.657 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.428 5.344 -6.082 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.762 5.498 -7.634 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.329 8.758 -4.980 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.709 7.647 -6.599 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.475 1.780 -6.911 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.612 0.867 -6.933 1.00 0.00 C ATOM 1037 C LYS A 71 -8.369 -0.325 -6.013 1.00 0.00 C ATOM 1038 O LYS A 71 -9.305 -1.030 -5.635 1.00 0.00 O ATOM 1039 CB LYS A 71 -8.874 0.380 -8.359 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.735 -0.437 -8.942 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.894 -1.916 -8.633 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.012 -2.540 -9.454 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.566 -3.758 -8.802 1.00 0.00 N ATOM 0 H LYS A 71 -6.783 1.608 -7.640 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.488 1.408 -6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.783 -0.222 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.057 1.242 -9.000 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.698 -0.292 -10.022 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.787 -0.080 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.957 -2.434 -8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.104 -2.046 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.809 -1.810 -9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.635 -2.798 -10.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.581 -4.541 -9.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.970 -4.019 -7.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.534 -3.566 -8.474 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.108 -0.545 -5.657 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.744 -1.651 -4.780 1.00 0.00 C ATOM 1059 C ILE A 72 -5.930 -1.161 -3.587 1.00 0.00 C ATOM 1060 O ILE A 72 -5.538 -1.947 -2.726 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.935 -2.724 -5.534 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.148 -2.088 -6.681 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.859 -3.813 -6.057 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.447 -3.096 -7.565 1.00 0.00 C ATOM 0 H ILE A 72 -6.321 0.028 -5.962 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.675 -2.093 -4.425 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.227 -3.178 -4.841 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.828 -1.493 -7.291 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.408 -1.403 -6.267 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.273 -4.564 -6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.378 -4.282 -5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.589 -3.375 -6.738 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.909 -2.574 -8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.742 -3.675 -6.968 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.184 -3.766 -8.008 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.681 0.144 -3.543 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.915 0.739 -2.454 1.00 0.00 C ATOM 1078 C ASN A 73 -5.708 0.708 -1.151 1.00 0.00 C ATOM 1079 O ASN A 73 -6.286 1.713 -0.740 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.535 2.180 -2.799 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.268 3.019 -1.564 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.079 3.865 -1.187 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.125 2.788 -0.928 1.00 0.00 N ATOM 0 H ASN A 73 -5.998 0.809 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.006 0.153 -2.319 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.648 2.177 -3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.338 2.636 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.890 3.322 -0.091 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.482 2.077 -1.276 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.729 -0.453 -0.504 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.452 -0.594 0.746 1.00 0.00 C ATOM 1092 C GLY A 74 -7.451 -1.733 0.713 1.00 0.00 C ATOM 1093 O GLY A 74 -7.938 -2.173 1.754 1.00 0.00 O ATOM 0 H GLY A 74 -5.258 -1.299 -0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.742 -0.761 1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.974 0.337 0.967 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.760 -2.213 -0.488 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.708 -3.308 -0.654 1.00 0.00 C ATOM 1099 C LYS A 75 -8.089 -4.634 -0.224 1.00 0.00 C ATOM 1100 O LYS A 75 -6.868 -4.794 -0.188 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.166 -3.396 -2.111 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.230 -2.375 -2.477 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.608 -2.814 -2.011 1.00 0.00 C ATOM 1104 CE LYS A 75 -12.569 -1.638 -1.928 1.00 0.00 C ATOM 1105 NZ LYS A 75 -13.846 -2.012 -1.259 1.00 0.00 N ATOM 0 H LYS A 75 -7.367 -1.860 -1.361 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.571 -3.108 -0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.303 -3.259 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.554 -4.397 -2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.982 -1.413 -2.028 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.240 -2.229 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.005 -3.562 -2.698 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.528 -3.290 -1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.098 -0.822 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.779 -1.269 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.474 -1.184 -1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.309 -2.774 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.648 -2.340 -0.292 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.947 -5.609 0.108 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.507 -6.939 0.540 1.00 0.00 C ATOM 1121 C PRO A 76 -7.885 -7.741 -0.598 1.00 0.00 C ATOM 1122 O PRO A 76 -8.470 -7.867 -1.675 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.800 -7.603 1.017 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.883 -6.906 0.269 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.415 -5.488 0.088 1.00 0.00 C ATOM 0 HA PRO A 76 -7.733 -6.884 1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.797 -8.672 0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.928 -7.492 2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -11.062 -7.384 -0.694 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.822 -6.939 0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.771 -5.064 -0.851 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.776 -4.840 0.887 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.696 -8.281 -0.354 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.994 -9.072 -1.359 1.00 0.00 C ATOM 1135 C LEU A 77 -6.490 -10.514 -1.361 1.00 0.00 C ATOM 1136 O LEU A 77 -6.437 -11.216 -0.350 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.486 -9.039 -1.101 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.672 -10.168 -1.733 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.740 -10.090 -3.251 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.227 -10.114 -1.259 1.00 0.00 C ATOM 0 H LEU A 77 -6.198 -8.186 0.531 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.198 -8.636 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.096 -8.089 -1.466 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.321 -9.059 -0.024 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.101 -11.119 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.155 -10.901 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.777 -10.179 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.337 -9.134 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.663 -10.925 -1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.786 -9.158 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.196 -10.220 -0.175 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.982 -10.970 -2.522 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.494 -12.334 -2.684 1.00 0.00 C ATOM 1154 C PRO A 78 -6.386 -13.379 -2.631 1.00 0.00 C ATOM 1155 O PRO A 78 -5.227 -13.084 -2.919 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.139 -12.307 -4.072 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.425 -11.222 -4.802 1.00 0.00 C ATOM 1158 CD PRO A 78 -7.076 -10.188 -3.767 1.00 0.00 C ATOM 0 HA PRO A 78 -8.182 -12.610 -1.884 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.027 -13.265 -4.579 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.208 -12.104 -4.008 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.528 -11.604 -5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.056 -10.796 -5.582 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.136 -9.688 -4.000 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.840 -9.414 -3.699 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.750 -14.603 -2.262 1.00 0.00 N ATOM 1167 CA GLY A 79 -5.775 -15.675 -2.178 1.00 0.00 C ATOM 1168 C GLY A 79 -4.930 -15.593 -0.922 1.00 0.00 C ATOM 1169 O GLY A 79 -4.801 -16.572 -0.188 1.00 0.00 O ATOM 0 H GLY A 79 -7.704 -14.872 -2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.292 -16.635 -2.203 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.125 -15.640 -3.052 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.351 -14.422 -0.675 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.515 -14.216 0.500 1.00 0.00 C ATOM 1175 C ALA A 80 -4.076 -14.956 1.710 1.00 0.00 C ATOM 1176 O ALA A 80 -5.221 -14.739 2.108 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.385 -12.730 0.802 1.00 0.00 C ATOM 0 H ALA A 80 -4.446 -13.602 -1.274 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.526 -14.620 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.758 -12.591 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.931 -12.224 -0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.373 -12.309 0.990 1.00 0.00 H new ATOM 1183 N THR A 81 -3.263 -15.833 2.291 1.00 0.00 N ATOM 1184 CA THR A 81 -3.679 -16.607 3.454 1.00 0.00 C ATOM 1185 C THR A 81 -2.868 -16.225 4.687 1.00 0.00 C ATOM 1186 O THR A 81 -1.648 -16.067 4.633 1.00 0.00 O ATOM 1187 CB THR A 81 -3.530 -18.120 3.204 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.309 -18.507 2.067 1.00 0.00 O ATOM 1189 CG2 THR A 81 -3.972 -18.915 4.424 1.00 0.00 C ATOM 0 H THR A 81 -2.312 -16.025 1.975 1.00 0.00 H new ATOM 0 HA THR A 81 -4.730 -16.377 3.628 1.00 0.00 H new ATOM 0 HB THR A 81 -2.478 -18.334 3.012 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.313 -17.780 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.858 -19.981 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.358 -18.638 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.017 -18.696 4.642 1.00 0.00 H new ATOM 1197 N PRO A 82 -3.559 -16.073 5.827 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.011 -16.258 5.902 1.00 0.00 C ATOM 1199 C PRO A 82 -5.775 -15.155 5.177 1.00 0.00 C ATOM 1200 O PRO A 82 -6.764 -15.417 4.494 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.297 -16.207 7.405 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.180 -15.404 7.977 1.00 0.00 C ATOM 1203 CD PRO A 82 -2.976 -15.708 7.129 1.00 0.00 C ATOM 0 HA PRO A 82 -5.329 -17.185 5.424 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.262 -15.743 7.609 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.326 -17.208 7.836 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.414 -14.340 7.956 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.001 -15.670 9.019 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.315 -14.845 7.046 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.385 -16.523 7.547 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.309 -13.919 5.331 1.00 0.00 N ATOM 1212 CA ALA A 83 -5.947 -12.777 4.689 1.00 0.00 C ATOM 1213 C ALA A 83 -5.132 -11.505 4.896 1.00 0.00 C ATOM 1214 O ALA A 83 -4.887 -11.090 6.029 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.360 -12.593 5.221 1.00 0.00 C ATOM 0 H ALA A 83 -4.492 -13.684 5.895 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.997 -12.975 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.824 -11.736 4.732 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.946 -13.489 5.016 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.324 -12.422 6.297 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.713 -10.890 3.795 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.926 -9.664 3.855 1.00 0.00 C ATOM 1223 C LYS A 84 -4.578 -8.558 3.033 1.00 0.00 C ATOM 1224 O LYS A 84 -5.543 -8.797 2.307 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.505 -9.921 3.348 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.724 -10.908 4.199 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.636 -11.599 3.394 1.00 0.00 C ATOM 1228 CE LYS A 84 0.626 -10.753 3.323 1.00 0.00 C ATOM 1229 NZ LYS A 84 1.215 -10.521 4.671 1.00 0.00 N ATOM 0 H LYS A 84 -4.906 -11.221 2.850 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.882 -9.341 4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.555 -10.296 2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.964 -8.975 3.314 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.276 -10.386 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.404 -11.654 4.609 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.404 -12.563 3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.999 -11.799 2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.360 -11.248 2.686 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.395 -9.795 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.230 -10.317 4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.740 -9.714 5.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.086 -11.371 5.257 1.00 0.00 H new ATOM 1243 N ARG A 85 -4.044 -7.346 3.150 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.575 -6.203 2.417 1.00 0.00 C ATOM 1245 C ARG A 85 -3.685 -5.861 1.226 1.00 0.00 C ATOM 1246 O ARG A 85 -2.525 -6.268 1.166 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.696 -4.990 3.341 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.836 -4.055 2.971 1.00 0.00 C ATOM 1249 CD ARG A 85 -7.184 -4.632 3.376 1.00 0.00 C ATOM 1250 NE ARG A 85 -7.281 -4.834 4.819 1.00 0.00 N ATOM 1251 CZ ARG A 85 -6.908 -5.953 5.431 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -6.415 -6.964 4.729 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -7.028 -6.061 6.748 1.00 0.00 N ATOM 0 H ARG A 85 -3.244 -7.131 3.745 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.565 -6.469 2.045 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.839 -5.336 4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.759 -4.433 3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.690 -3.091 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.825 -3.873 1.896 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.978 -3.961 3.050 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.340 -5.582 2.866 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.655 -4.075 5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.321 -6.884 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.129 -7.822 5.201 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -7.407 -5.285 7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.742 -6.920 7.217 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.237 -5.111 0.278 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.495 -4.716 -0.914 1.00 0.00 C ATOM 1269 C PHE A 86 -2.533 -3.574 -0.601 1.00 0.00 C ATOM 1270 O PHE A 86 -2.933 -2.412 -0.525 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.459 -4.295 -2.025 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.825 -5.415 -2.956 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.862 -6.019 -3.748 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -6.133 -5.865 -3.039 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -4.196 -7.049 -4.606 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.474 -6.896 -3.895 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.504 -7.489 -4.679 1.00 0.00 C ATOM 0 H PHE A 86 -5.196 -4.764 0.312 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.915 -5.575 -1.252 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.368 -3.896 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.007 -3.487 -2.601 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.838 -5.681 -3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.895 -5.405 -2.428 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.436 -7.510 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.497 -7.237 -3.950 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.767 -8.295 -5.348 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.261 -3.912 -0.419 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.240 -2.918 -0.115 1.00 0.00 C ATOM 1289 C LYS A 87 0.451 -2.440 -1.388 1.00 0.00 C ATOM 1290 O LYS A 87 1.346 -3.107 -1.909 1.00 0.00 O ATOM 1291 CB LYS A 87 0.795 -3.498 0.852 1.00 0.00 C ATOM 1292 CG LYS A 87 1.414 -2.462 1.775 1.00 0.00 C ATOM 1293 CD LYS A 87 0.670 -2.378 3.097 1.00 0.00 C ATOM 1294 CE LYS A 87 -0.432 -1.331 3.053 1.00 0.00 C ATOM 1295 NZ LYS A 87 -1.211 -1.291 4.321 1.00 0.00 N ATOM 0 H LYS A 87 -0.913 -4.869 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.729 -2.065 0.355 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.322 -4.273 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.586 -3.980 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.458 -2.715 1.959 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.404 -1.487 1.288 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.239 -3.351 3.335 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.371 -2.136 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 87 0.006 -0.351 2.865 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.103 -1.545 2.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.952 -0.565 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.650 -2.219 4.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.576 -1.061 5.112 1.00 0.00 H new ATOM 1309 N LEU A 88 0.032 -1.281 -1.884 1.00 0.00 N ATOM 1310 CA LEU A 88 0.612 -0.713 -3.096 1.00 0.00 C ATOM 1311 C LEU A 88 1.080 0.719 -2.857 1.00 0.00 C ATOM 1312 O LEU A 88 0.545 1.422 -2.001 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.408 -0.744 -4.236 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.163 -2.060 -4.425 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.160 -1.944 -5.568 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.190 -3.202 -4.678 1.00 0.00 C ATOM 0 H LEU A 88 -0.707 -0.716 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 88 1.476 -1.317 -3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.137 0.049 -4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.109 -0.508 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.714 -2.275 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.688 -2.890 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.877 -1.154 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.630 -1.705 -6.490 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.745 -4.131 -4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.389 -2.994 -5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.485 -3.300 -3.827 1.00 0.00 H new ATOM 1328 N ASN A 89 2.081 1.144 -3.621 1.00 0.00 N ATOM 1329 CA ASN A 89 2.620 2.493 -3.492 1.00 0.00 C ATOM 1330 C ASN A 89 3.284 2.939 -4.792 1.00 0.00 C ATOM 1331 O ASN A 89 3.449 2.148 -5.720 1.00 0.00 O ATOM 1332 CB ASN A 89 3.629 2.555 -2.344 1.00 0.00 C ATOM 1333 CG ASN A 89 2.958 2.670 -0.989 1.00 0.00 C ATOM 1334 OD1 ASN A 89 2.788 1.677 -0.282 1.00 0.00 O ATOM 1335 ND2 ASN A 89 2.571 3.886 -0.622 1.00 0.00 N ATOM 0 H ASN A 89 2.535 0.574 -4.335 1.00 0.00 H new ATOM 0 HA ASN A 89 1.793 3.169 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.252 1.661 -2.363 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.291 3.408 -2.492 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.112 4.025 0.278 1.00 0.00 H new ATOM 0 HD22 ASN A 89 2.732 4.681 -1.240 1.00 0.00 H new ATOM 1342 N TYR A 90 3.662 4.211 -4.850 1.00 0.00 N ATOM 1343 CA TYR A 90 4.306 4.764 -6.035 1.00 0.00 C ATOM 1344 C TYR A 90 5.730 4.235 -6.178 1.00 0.00 C ATOM 1345 O TYR A 90 6.509 4.251 -5.225 1.00 0.00 O ATOM 1346 CB TYR A 90 4.322 6.292 -5.968 1.00 0.00 C ATOM 1347 CG TYR A 90 3.016 6.930 -6.383 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.345 6.507 -7.524 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.452 7.956 -5.635 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.151 7.087 -7.907 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.259 8.541 -6.010 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.612 8.103 -7.147 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.577 8.684 -7.525 1.00 0.00 O ATOM 0 H TYR A 90 3.533 4.879 -4.090 1.00 0.00 H new ATOM 0 HA TYR A 90 3.732 4.452 -6.908 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.560 6.600 -4.950 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.120 6.667 -6.609 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.764 5.711 -8.122 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.956 8.302 -4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.643 6.746 -8.797 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.835 9.337 -5.416 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.819 9.383 -6.882 1.00 0.00 H new ATOM 1363 N ALA A 91 6.064 3.769 -7.377 1.00 0.00 N ATOM 1364 CA ALA A 91 7.394 3.238 -7.647 1.00 0.00 C ATOM 1365 C ALA A 91 8.476 4.154 -7.085 1.00 0.00 C ATOM 1366 O ALA A 91 9.601 3.723 -6.832 1.00 0.00 O ATOM 1367 CB ALA A 91 7.591 3.042 -9.143 1.00 0.00 C ATOM 0 H ALA A 91 5.431 3.749 -8.177 1.00 0.00 H new ATOM 0 HA ALA A 91 7.479 2.271 -7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.589 2.645 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.845 2.342 -9.519 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.480 3.999 -9.653 1.00 0.00 H new