USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 634 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 67 CYS SG : rot -10:sc= -1.29 USER MOD Set 1.2: A 70 CYS SG : rot -41:sc= -0.472 USER MOD Set 1.3: A 74 TYR OH : rot 29:sc= 0.0147 USER MOD Set 1.4: A 83 HIS : no HD1:sc= 0.277 K(o=-2,f=-6) USER MOD Set 1.5: A 88 HIS : no HD1:sc= -0.578 K(o=-2,f=-6.7!) USER MOD Set 2.1: A 39 CYS SG : rot 166:sc= -0.471 USER MOD Set 2.2: A 42 CYS SG : rot -40:sc= -1.63 USER MOD Set 2.3: A 55 HIS : no HE2:sc= -0.119 K(o=-7.4,f=-10) USER MOD Set 2.4: A 60 HIS : no HD1:sc= -5.14! C(o=-7.4!,f=-14!) USER MOD Set 3.1: A 36 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.783) USER MOD Set 3.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 12 CYS SG : rot -169:sc= 0.373 USER MOD Set 4.2: A 15 CYS SG : rot 180:sc= -3.71! USER MOD Set 4.3: A 28 HIS : no HD1:sc= -19.5! C(o=-23!,f=-31!) USER MOD Set 4.4: A 31 LYS NZ :NH3+ -161:sc= 0.149 (180deg=0) USER MOD Set 4.5: A 32 HIS : no HE2:sc= 0.0361 K(o=-23,f=-24) USER MOD Set 5.1: A 17 TYR OH : rot 150:sc= -0.714 USER MOD Set 5.2: A 19 SER OG : rot 110:sc=-0.00346 USER MOD Set 5.3: A 24 ASN : amide:sc= -0.803 K(o=-1.5,f=-3.1) USER MOD Single : A 8 LYS NZ :NH3+ -165:sc= -0.692 (180deg=-1.17) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0471) USER MOD Single : A 14 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.7!) USER MOD Single : A 16 SER OG : rot -54:sc= 0.0303 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.566 K(o=0.57,f=-0.53) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -54:sc= 0.0678 USER MOD Single : A 46 CYS SG : rot 147:sc= -0.0843 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.0619 (180deg=-0.568) USER MOD Single : A 51 HIS : no HD1:sc=-0.00955 X(o=-0.0096,f=-0.06) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.0437 X(o=-0.044,f=-0.048) USER MOD Single : A 66 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.6) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.0863 (180deg=-0.466) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 10.964 33.560 -39.349 1.00 0.00 N ATOM 67 CA LYS A 8 10.068 32.532 -38.831 1.00 0.00 C ATOM 68 C LYS A 8 10.859 31.351 -38.276 1.00 0.00 C ATOM 69 O LYS A 8 11.190 30.405 -38.990 1.00 0.00 O ATOM 70 CB LYS A 8 9.119 32.052 -39.931 1.00 0.00 C ATOM 71 CG LYS A 8 8.513 33.181 -40.747 1.00 0.00 C ATOM 72 CD LYS A 8 8.076 32.703 -42.121 1.00 0.00 C ATOM 73 CE LYS A 8 6.932 33.543 -42.666 1.00 0.00 C ATOM 74 NZ LYS A 8 5.637 33.209 -42.011 1.00 0.00 N ATOM 0 HA LYS A 8 9.484 32.969 -38.021 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.660 31.382 -40.599 1.00 0.00 H new ATOM 0 HB3 LYS A 8 8.316 31.471 -39.478 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.657 33.596 -40.216 1.00 0.00 H new ATOM 0 HG3 LYS A 8 9.241 33.985 -40.855 1.00 0.00 H new ATOM 0 HD2 LYS A 8 8.921 32.747 -42.808 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.767 31.659 -42.063 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.153 34.600 -42.515 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.846 33.386 -43.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 4.854 33.604 -42.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.534 32.176 -41.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.618 33.613 -41.053 1.00 0.00 H new ATOM 88 N PRO A 9 11.168 31.406 -36.972 1.00 0.00 N ATOM 89 CA PRO A 9 11.921 30.348 -36.292 1.00 0.00 C ATOM 90 C PRO A 9 11.113 29.062 -36.147 1.00 0.00 C ATOM 91 O PRO A 9 11.653 27.962 -36.264 1.00 0.00 O ATOM 92 CB PRO A 9 12.217 30.951 -34.917 1.00 0.00 C ATOM 93 CG PRO A 9 11.135 31.952 -34.701 1.00 0.00 C ATOM 94 CD PRO A 9 10.805 32.504 -36.060 1.00 0.00 C ATOM 0 HA PRO A 9 12.814 30.061 -36.848 1.00 0.00 H new ATOM 0 HB2 PRO A 9 12.210 30.187 -34.140 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.201 31.420 -34.894 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.260 31.489 -34.245 1.00 0.00 H new ATOM 0 HG3 PRO A 9 11.464 32.743 -34.028 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.749 32.763 -36.143 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.373 33.409 -36.275 1.00 0.00 H new ATOM 102 N TYR A 10 9.818 29.209 -35.894 1.00 0.00 N ATOM 103 CA TYR A 10 8.936 28.059 -35.732 1.00 0.00 C ATOM 104 C TYR A 10 8.833 27.264 -37.030 1.00 0.00 C ATOM 105 O TYR A 10 8.361 27.772 -38.047 1.00 0.00 O ATOM 106 CB TYR A 10 7.545 28.515 -35.288 1.00 0.00 C ATOM 107 CG TYR A 10 7.551 29.314 -34.004 1.00 0.00 C ATOM 108 CD1 TYR A 10 7.921 30.654 -33.998 1.00 0.00 C ATOM 109 CD2 TYR A 10 7.187 28.730 -32.797 1.00 0.00 C ATOM 110 CE1 TYR A 10 7.928 31.387 -32.828 1.00 0.00 C ATOM 111 CE2 TYR A 10 7.190 29.456 -31.622 1.00 0.00 C ATOM 112 CZ TYR A 10 7.562 30.785 -31.643 1.00 0.00 C ATOM 113 OH TYR A 10 7.568 31.511 -30.474 1.00 0.00 O ATOM 0 H TYR A 10 9.355 30.113 -35.797 1.00 0.00 H new ATOM 0 HA TYR A 10 9.361 27.413 -34.964 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.100 29.118 -36.079 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.909 27.639 -35.158 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.208 31.130 -34.924 1.00 0.00 H new ATOM 0 HD2 TYR A 10 6.897 27.690 -32.777 1.00 0.00 H new ATOM 0 HE1 TYR A 10 8.219 32.427 -32.841 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.903 28.987 -30.693 1.00 0.00 H new ATOM 0 HH TYR A 10 7.283 30.938 -29.732 1.00 0.00 H new ATOM 123 N LYS A 11 9.277 26.013 -36.987 1.00 0.00 N ATOM 124 CA LYS A 11 9.234 25.144 -38.157 1.00 0.00 C ATOM 125 C LYS A 11 8.197 24.041 -37.978 1.00 0.00 C ATOM 126 O LYS A 11 7.910 23.621 -36.856 1.00 0.00 O ATOM 127 CB LYS A 11 10.612 24.528 -38.411 1.00 0.00 C ATOM 128 CG LYS A 11 11.701 25.555 -38.666 1.00 0.00 C ATOM 129 CD LYS A 11 11.515 26.243 -40.008 1.00 0.00 C ATOM 130 CE LYS A 11 12.681 27.167 -40.327 1.00 0.00 C ATOM 131 NZ LYS A 11 12.362 28.096 -41.446 1.00 0.00 N ATOM 0 H LYS A 11 9.671 25.577 -36.153 1.00 0.00 H new ATOM 0 HA LYS A 11 8.949 25.749 -39.018 1.00 0.00 H new ATOM 0 HB2 LYS A 11 10.893 23.920 -37.551 1.00 0.00 H new ATOM 0 HB3 LYS A 11 10.548 23.858 -39.268 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.694 26.300 -37.870 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.676 25.068 -38.638 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.419 25.493 -40.793 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.588 26.816 -39.999 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.941 27.744 -39.439 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.556 26.571 -40.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.212 28.638 -41.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.040 27.549 -42.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.610 28.751 -41.150 1.00 0.00 H new ATOM 145 N CYS A 12 7.639 23.574 -39.089 1.00 0.00 N ATOM 146 CA CYS A 12 6.634 22.518 -39.056 1.00 0.00 C ATOM 147 C CYS A 12 7.292 21.142 -38.996 1.00 0.00 C ATOM 148 O CYS A 12 8.066 20.758 -39.873 1.00 0.00 O ATOM 149 CB CYS A 12 5.727 22.608 -40.285 1.00 0.00 C ATOM 150 SG CYS A 12 4.386 21.375 -40.312 1.00 0.00 S ATOM 0 H CYS A 12 7.866 23.910 -40.025 1.00 0.00 H new ATOM 0 HA CYS A 12 6.032 22.653 -38.158 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.290 23.606 -40.328 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.335 22.487 -41.182 1.00 0.00 H new ATOM 0 HG CYS A 12 3.824 21.370 -41.484 1.00 0.00 H new ATOM 155 N PRO A 13 6.978 20.382 -37.937 1.00 0.00 N ATOM 156 CA PRO A 13 7.527 19.037 -37.737 1.00 0.00 C ATOM 157 C PRO A 13 6.979 18.032 -38.744 1.00 0.00 C ATOM 158 O PRO A 13 7.309 16.848 -38.694 1.00 0.00 O ATOM 159 CB PRO A 13 7.073 18.676 -36.320 1.00 0.00 C ATOM 160 CG PRO A 13 5.850 19.495 -36.094 1.00 0.00 C ATOM 161 CD PRO A 13 6.063 20.776 -36.852 1.00 0.00 C ATOM 0 HA PRO A 13 8.608 19.014 -37.872 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.858 17.611 -36.232 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.845 18.907 -35.586 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.961 18.975 -36.450 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.702 19.690 -35.032 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.126 21.173 -37.241 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.499 21.549 -36.220 1.00 0.00 H new ATOM 169 N GLN A 14 6.142 18.513 -39.658 1.00 0.00 N ATOM 170 CA GLN A 14 5.549 17.655 -40.677 1.00 0.00 C ATOM 171 C GLN A 14 6.023 18.056 -42.070 1.00 0.00 C ATOM 172 O GLN A 14 6.203 17.208 -42.944 1.00 0.00 O ATOM 173 CB GLN A 14 4.022 17.722 -40.605 1.00 0.00 C ATOM 174 CG GLN A 14 3.451 17.197 -39.298 1.00 0.00 C ATOM 175 CD GLN A 14 2.080 16.572 -39.470 1.00 0.00 C ATOM 176 OE1 GLN A 14 1.789 15.960 -40.498 1.00 0.00 O ATOM 177 NE2 GLN A 14 1.230 16.723 -38.462 1.00 0.00 N ATOM 0 H GLN A 14 5.860 19.492 -39.714 1.00 0.00 H new ATOM 0 HA GLN A 14 5.870 16.631 -40.485 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.705 18.756 -40.741 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.602 17.149 -41.432 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.133 16.458 -38.879 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.386 18.014 -38.580 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.514 17.238 -37.629 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.293 16.324 -38.521 1.00 0.00 H new ATOM 186 N CYS A 15 6.223 19.355 -42.270 1.00 0.00 N ATOM 187 CA CYS A 15 6.675 19.870 -43.556 1.00 0.00 C ATOM 188 C CYS A 15 7.703 20.981 -43.366 1.00 0.00 C ATOM 189 O CYS A 15 8.117 21.273 -42.244 1.00 0.00 O ATOM 190 CB CYS A 15 5.486 20.394 -44.366 1.00 0.00 C ATOM 191 SG CYS A 15 4.990 22.094 -43.942 1.00 0.00 S ATOM 0 H CYS A 15 6.079 20.070 -41.557 1.00 0.00 H new ATOM 0 HA CYS A 15 7.146 19.052 -44.101 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.736 20.354 -45.426 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.635 19.730 -44.214 1.00 0.00 H new ATOM 0 HG CYS A 15 3.979 22.448 -44.679 1.00 0.00 H new ATOM 196 N SER A 16 8.112 21.597 -44.471 1.00 0.00 N ATOM 197 CA SER A 16 9.095 22.673 -44.427 1.00 0.00 C ATOM 198 C SER A 16 8.413 24.025 -44.238 1.00 0.00 C ATOM 199 O SER A 16 8.854 25.037 -44.783 1.00 0.00 O ATOM 200 CB SER A 16 9.928 22.684 -45.710 1.00 0.00 C ATOM 201 OG SER A 16 11.161 23.354 -45.512 1.00 0.00 O ATOM 0 H SER A 16 7.778 21.369 -45.407 1.00 0.00 H new ATOM 0 HA SER A 16 9.753 22.496 -43.576 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.115 21.660 -46.035 1.00 0.00 H new ATOM 0 HB3 SER A 16 9.368 23.174 -46.507 1.00 0.00 H new ATOM 0 HG SER A 16 10.992 24.250 -45.154 1.00 0.00 H new ATOM 207 N TYR A 17 7.334 24.032 -43.464 1.00 0.00 N ATOM 208 CA TYR A 17 6.588 25.258 -43.204 1.00 0.00 C ATOM 209 C TYR A 17 7.194 26.028 -42.035 1.00 0.00 C ATOM 210 O TYR A 17 7.838 25.446 -41.162 1.00 0.00 O ATOM 211 CB TYR A 17 5.121 24.935 -42.912 1.00 0.00 C ATOM 212 CG TYR A 17 4.357 26.089 -42.304 1.00 0.00 C ATOM 213 CD1 TYR A 17 3.739 27.039 -43.108 1.00 0.00 C ATOM 214 CD2 TYR A 17 4.254 26.231 -40.925 1.00 0.00 C ATOM 215 CE1 TYR A 17 3.040 28.096 -42.557 1.00 0.00 C ATOM 216 CE2 TYR A 17 3.556 27.284 -40.366 1.00 0.00 C ATOM 217 CZ TYR A 17 2.951 28.213 -41.186 1.00 0.00 C ATOM 218 OH TYR A 17 2.255 29.264 -40.632 1.00 0.00 O ATOM 0 H TYR A 17 6.956 23.203 -43.006 1.00 0.00 H new ATOM 0 HA TYR A 17 6.645 25.883 -44.095 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.632 24.635 -43.839 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.073 24.082 -42.235 1.00 0.00 H new ATOM 0 HD1 TYR A 17 3.806 26.950 -44.182 1.00 0.00 H new ATOM 0 HD2 TYR A 17 4.728 25.506 -40.280 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.566 28.826 -43.196 1.00 0.00 H new ATOM 0 HE2 TYR A 17 3.485 27.379 -39.293 1.00 0.00 H new ATOM 0 HH TYR A 17 1.876 28.988 -39.771 1.00 0.00 H new ATOM 228 N ALA A 18 6.982 27.340 -42.025 1.00 0.00 N ATOM 229 CA ALA A 18 7.505 28.190 -40.963 1.00 0.00 C ATOM 230 C ALA A 18 6.601 29.396 -40.731 1.00 0.00 C ATOM 231 O ALA A 18 5.842 29.794 -41.614 1.00 0.00 O ATOM 232 CB ALA A 18 8.918 28.643 -41.297 1.00 0.00 C ATOM 0 H ALA A 18 6.452 27.837 -42.741 1.00 0.00 H new ATOM 0 HA ALA A 18 7.531 27.606 -40.043 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.296 29.277 -40.495 1.00 0.00 H new ATOM 0 HB2 ALA A 18 9.564 27.771 -41.405 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.909 29.206 -42.231 1.00 0.00 H new ATOM 238 N SER A 19 6.687 29.973 -39.537 1.00 0.00 N ATOM 239 CA SER A 19 5.873 31.132 -39.187 1.00 0.00 C ATOM 240 C SER A 19 6.360 31.765 -37.887 1.00 0.00 C ATOM 241 O SER A 19 6.519 31.085 -36.874 1.00 0.00 O ATOM 242 CB SER A 19 4.404 30.727 -39.052 1.00 0.00 C ATOM 243 OG SER A 19 3.546 31.801 -39.397 1.00 0.00 O ATOM 0 H SER A 19 7.312 29.657 -38.795 1.00 0.00 H new ATOM 0 HA SER A 19 5.968 31.867 -39.986 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.198 29.872 -39.696 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.203 30.411 -38.028 1.00 0.00 H new ATOM 0 HG SER A 19 3.095 31.601 -40.244 1.00 0.00 H new ATOM 249 N ALA A 20 6.595 33.072 -37.925 1.00 0.00 N ATOM 250 CA ALA A 20 7.062 33.799 -36.750 1.00 0.00 C ATOM 251 C ALA A 20 5.936 33.988 -35.739 1.00 0.00 C ATOM 252 O ALA A 20 5.785 35.064 -35.159 1.00 0.00 O ATOM 253 CB ALA A 20 7.640 35.146 -37.158 1.00 0.00 C ATOM 0 H ALA A 20 6.470 33.650 -38.756 1.00 0.00 H new ATOM 0 HA ALA A 20 7.846 33.209 -36.275 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.985 35.678 -36.271 1.00 0.00 H new ATOM 0 HB2 ALA A 20 8.478 34.991 -37.837 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.872 35.735 -37.659 1.00 0.00 H new ATOM 259 N ILE A 21 5.149 32.938 -35.533 1.00 0.00 N ATOM 260 CA ILE A 21 4.038 32.990 -34.591 1.00 0.00 C ATOM 261 C ILE A 21 3.686 31.597 -34.079 1.00 0.00 C ATOM 262 O ILE A 21 3.481 30.669 -34.862 1.00 0.00 O ATOM 263 CB ILE A 21 2.787 33.621 -35.230 1.00 0.00 C ATOM 264 CG1 ILE A 21 3.103 35.028 -35.740 1.00 0.00 C ATOM 265 CG2 ILE A 21 1.643 33.659 -34.229 1.00 0.00 C ATOM 266 CD1 ILE A 21 1.957 35.671 -36.489 1.00 0.00 C ATOM 0 H ILE A 21 5.260 32.041 -36.006 1.00 0.00 H new ATOM 0 HA ILE A 21 4.361 33.611 -33.756 1.00 0.00 H new ATOM 0 HB ILE A 21 2.481 33.008 -36.078 1.00 0.00 H new ATOM 0 HG12 ILE A 21 3.374 35.660 -34.894 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.973 34.981 -36.394 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.766 34.108 -34.696 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.405 32.644 -33.910 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.937 34.252 -33.363 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.252 36.666 -36.821 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.700 35.061 -37.355 1.00 0.00 H new ATOM 0 HD13 ILE A 21 1.091 35.750 -35.831 1.00 0.00 H new ATOM 278 N LYS A 22 3.615 31.458 -32.760 1.00 0.00 N ATOM 279 CA LYS A 22 3.285 30.179 -32.141 1.00 0.00 C ATOM 280 C LYS A 22 1.910 29.697 -32.592 1.00 0.00 C ATOM 281 O LYS A 22 1.781 28.628 -33.189 1.00 0.00 O ATOM 282 CB LYS A 22 3.319 30.303 -30.616 1.00 0.00 C ATOM 283 CG LYS A 22 2.943 29.022 -29.894 1.00 0.00 C ATOM 284 CD LYS A 22 4.041 27.977 -30.001 1.00 0.00 C ATOM 285 CE LYS A 22 3.603 26.645 -29.414 1.00 0.00 C ATOM 286 NZ LYS A 22 4.308 25.499 -30.052 1.00 0.00 N ATOM 0 H LYS A 22 3.782 32.216 -32.098 1.00 0.00 H new ATOM 0 HA LYS A 22 4.029 29.448 -32.456 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.320 30.604 -30.307 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.638 31.097 -30.309 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.748 29.239 -28.844 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.019 28.624 -30.314 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.315 27.842 -31.047 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.932 28.329 -29.481 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.797 26.639 -28.341 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.527 26.527 -29.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.982 24.609 -29.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.102 25.489 -31.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.333 25.598 -29.907 1.00 0.00 H new ATOM 300 N ALA A 23 0.884 30.492 -32.303 1.00 0.00 N ATOM 301 CA ALA A 23 -0.480 30.147 -32.682 1.00 0.00 C ATOM 302 C ALA A 23 -0.545 29.672 -34.130 1.00 0.00 C ATOM 303 O ALA A 23 -1.284 28.744 -34.456 1.00 0.00 O ATOM 304 CB ALA A 23 -1.403 31.338 -32.474 1.00 0.00 C ATOM 0 H ALA A 23 0.972 31.379 -31.808 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.811 29.328 -32.043 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.419 31.066 -32.761 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.389 31.630 -31.424 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.064 32.173 -33.088 1.00 0.00 H new ATOM 310 N ASN A 24 0.235 30.314 -34.994 1.00 0.00 N ATOM 311 CA ASN A 24 0.265 29.957 -36.407 1.00 0.00 C ATOM 312 C ASN A 24 0.613 28.483 -36.589 1.00 0.00 C ATOM 313 O ASN A 24 -0.211 27.691 -37.049 1.00 0.00 O ATOM 314 CB ASN A 24 1.278 30.828 -37.153 1.00 0.00 C ATOM 315 CG ASN A 24 0.660 32.105 -37.689 1.00 0.00 C ATOM 316 OD1 ASN A 24 0.177 32.941 -36.926 1.00 0.00 O ATOM 317 ND2 ASN A 24 0.671 32.259 -39.008 1.00 0.00 N ATOM 0 H ASN A 24 0.854 31.084 -34.740 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.728 30.131 -36.821 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.100 31.079 -36.483 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.703 30.259 -37.980 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.268 33.097 -39.427 1.00 0.00 H new ATOM 0 HD22 ASN A 24 1.083 31.539 -39.602 1.00 0.00 H new ATOM 324 N LEU A 25 1.839 28.121 -36.226 1.00 0.00 N ATOM 325 CA LEU A 25 2.297 26.742 -36.348 1.00 0.00 C ATOM 326 C LEU A 25 1.190 25.764 -35.966 1.00 0.00 C ATOM 327 O LEU A 25 1.035 24.713 -36.586 1.00 0.00 O ATOM 328 CB LEU A 25 3.524 26.511 -35.464 1.00 0.00 C ATOM 329 CG LEU A 25 4.271 25.195 -35.683 1.00 0.00 C ATOM 330 CD1 LEU A 25 4.764 25.093 -37.118 1.00 0.00 C ATOM 331 CD2 LEU A 25 5.433 25.073 -34.708 1.00 0.00 C ATOM 0 H LEU A 25 2.533 28.764 -35.845 1.00 0.00 H new ATOM 0 HA LEU A 25 2.568 26.567 -37.389 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.222 27.333 -35.624 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.210 26.558 -34.421 1.00 0.00 H new ATOM 0 HG LEU A 25 3.580 24.372 -35.499 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.293 24.150 -37.255 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.914 25.134 -37.799 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.439 25.922 -37.331 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.953 24.130 -34.878 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.124 25.902 -34.860 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.055 25.099 -33.686 1.00 0.00 H new ATOM 343 N ASN A 26 0.421 26.120 -34.942 1.00 0.00 N ATOM 344 CA ASN A 26 -0.674 25.275 -34.478 1.00 0.00 C ATOM 345 C ASN A 26 -1.758 25.155 -35.545 1.00 0.00 C ATOM 346 O ASN A 26 -2.223 24.057 -35.852 1.00 0.00 O ATOM 347 CB ASN A 26 -1.272 25.841 -33.189 1.00 0.00 C ATOM 348 CG ASN A 26 -0.310 25.757 -32.019 1.00 0.00 C ATOM 349 OD1 ASN A 26 -0.380 24.834 -31.208 1.00 0.00 O ATOM 350 ND2 ASN A 26 0.595 26.725 -31.928 1.00 0.00 N ATOM 0 H ASN A 26 0.536 26.987 -34.418 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.273 24.281 -34.279 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.555 26.881 -33.349 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.184 25.297 -32.945 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.269 26.723 -31.163 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.616 27.471 -32.624 1.00 0.00 H new ATOM 357 N VAL A 27 -2.155 26.291 -36.107 1.00 0.00 N ATOM 358 CA VAL A 27 -3.183 26.314 -37.141 1.00 0.00 C ATOM 359 C VAL A 27 -2.684 25.665 -38.427 1.00 0.00 C ATOM 360 O VAL A 27 -3.429 24.963 -39.111 1.00 0.00 O ATOM 361 CB VAL A 27 -3.639 27.753 -37.449 1.00 0.00 C ATOM 362 CG1 VAL A 27 -2.845 28.327 -38.613 1.00 0.00 C ATOM 363 CG2 VAL A 27 -5.131 27.788 -37.741 1.00 0.00 C ATOM 0 H VAL A 27 -1.781 27.208 -35.864 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.031 25.747 -36.756 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.450 28.371 -36.572 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.181 29.344 -38.816 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.785 28.339 -38.360 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.000 27.710 -39.498 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.436 28.812 -37.956 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.348 27.156 -38.602 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.680 27.421 -36.874 1.00 0.00 H new ATOM 373 N HIS A 28 -1.417 25.904 -38.751 1.00 0.00 N ATOM 374 CA HIS A 28 -0.816 25.342 -39.955 1.00 0.00 C ATOM 375 C HIS A 28 -0.756 23.820 -39.872 1.00 0.00 C ATOM 376 O HIS A 28 -0.738 23.132 -40.894 1.00 0.00 O ATOM 377 CB HIS A 28 0.589 25.909 -40.162 1.00 0.00 C ATOM 378 CG HIS A 28 1.370 25.199 -41.225 1.00 0.00 C ATOM 379 ND1 HIS A 28 1.366 25.587 -42.548 1.00 0.00 N ATOM 380 CD2 HIS A 28 2.185 24.121 -41.153 1.00 0.00 C ATOM 381 CE1 HIS A 28 2.143 24.777 -43.245 1.00 0.00 C ATOM 382 NE2 HIS A 28 2.653 23.879 -42.422 1.00 0.00 N ATOM 0 H HIS A 28 -0.787 26.483 -38.196 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.440 25.618 -40.805 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.511 26.964 -40.423 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.137 25.853 -39.221 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.423 23.556 -40.264 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.329 24.839 -44.307 1.00 0.00 H new ATOM 0 HE2 HIS A 28 3.291 23.128 -42.686 1.00 0.00 H new ATOM 390 N LEU A 29 -0.725 23.299 -38.650 1.00 0.00 N ATOM 391 CA LEU A 29 -0.667 21.858 -38.434 1.00 0.00 C ATOM 392 C LEU A 29 -2.057 21.236 -38.525 1.00 0.00 C ATOM 393 O LEU A 29 -2.196 20.033 -38.746 1.00 0.00 O ATOM 394 CB LEU A 29 -0.048 21.552 -37.069 1.00 0.00 C ATOM 395 CG LEU A 29 1.436 21.887 -36.915 1.00 0.00 C ATOM 396 CD1 LEU A 29 1.783 22.115 -35.452 1.00 0.00 C ATOM 397 CD2 LEU A 29 2.297 20.778 -37.502 1.00 0.00 C ATOM 0 H LEU A 29 -0.739 23.853 -37.794 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.043 21.424 -39.215 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.605 22.100 -36.309 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.184 20.491 -36.860 1.00 0.00 H new ATOM 0 HG LEU A 29 1.640 22.807 -37.463 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.843 22.352 -35.362 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.192 22.944 -35.063 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.563 21.213 -34.881 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.350 21.034 -37.384 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.090 19.843 -36.982 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.069 20.662 -38.562 1.00 0.00 H new ATOM 409 N ARG A 30 -3.082 22.065 -38.356 1.00 0.00 N ATOM 410 CA ARG A 30 -4.461 21.597 -38.421 1.00 0.00 C ATOM 411 C ARG A 30 -4.708 20.807 -39.702 1.00 0.00 C ATOM 412 O ARG A 30 -5.334 19.746 -39.680 1.00 0.00 O ATOM 413 CB ARG A 30 -5.428 22.781 -38.345 1.00 0.00 C ATOM 414 CG ARG A 30 -5.508 23.414 -36.965 1.00 0.00 C ATOM 415 CD ARG A 30 -6.555 24.515 -36.918 1.00 0.00 C ATOM 416 NE ARG A 30 -7.900 24.002 -37.164 1.00 0.00 N ATOM 417 CZ ARG A 30 -9.007 24.615 -36.760 1.00 0.00 C ATOM 418 NH1 ARG A 30 -8.929 25.759 -36.094 1.00 0.00 N ATOM 419 NH2 ARG A 30 -10.195 24.086 -37.023 1.00 0.00 N ATOM 0 H ARG A 30 -2.983 23.064 -38.173 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.635 20.939 -37.570 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.119 23.538 -39.066 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -6.423 22.447 -38.640 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.749 22.650 -36.226 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.535 23.824 -36.694 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.525 25.002 -35.943 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.315 25.275 -37.662 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.995 23.124 -37.675 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.018 26.170 -35.891 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.780 26.228 -35.785 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.259 23.207 -37.536 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.044 24.558 -36.712 1.00 0.00 H new ATOM 433 N LYS A 31 -4.212 21.330 -40.819 1.00 0.00 N ATOM 434 CA LYS A 31 -4.377 20.674 -42.110 1.00 0.00 C ATOM 435 C LYS A 31 -3.586 19.371 -42.164 1.00 0.00 C ATOM 436 O LYS A 31 -3.926 18.457 -42.916 1.00 0.00 O ATOM 437 CB LYS A 31 -3.926 21.604 -43.239 1.00 0.00 C ATOM 438 CG LYS A 31 -2.525 22.158 -43.047 1.00 0.00 C ATOM 439 CD LYS A 31 -2.176 23.177 -44.119 1.00 0.00 C ATOM 440 CE LYS A 31 -1.249 24.256 -43.582 1.00 0.00 C ATOM 441 NZ LYS A 31 -0.992 25.319 -44.592 1.00 0.00 N ATOM 0 H LYS A 31 -3.692 22.207 -40.855 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.434 20.442 -42.239 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.967 21.062 -44.184 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.628 22.434 -43.317 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.448 22.622 -42.064 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.803 21.341 -43.071 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.700 22.673 -44.960 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.089 23.636 -44.497 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.689 24.702 -42.690 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.303 23.805 -43.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.135 25.847 -44.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.859 24.884 -45.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.803 25.970 -44.625 1.00 0.00 H new ATOM 455 N HIS A 32 -2.529 19.292 -41.362 1.00 0.00 N ATOM 456 CA HIS A 32 -1.691 18.100 -41.317 1.00 0.00 C ATOM 457 C HIS A 32 -2.382 16.978 -40.547 1.00 0.00 C ATOM 458 O HIS A 32 -2.250 15.803 -40.889 1.00 0.00 O ATOM 459 CB HIS A 32 -0.343 18.422 -40.671 1.00 0.00 C ATOM 460 CG HIS A 32 0.635 19.058 -41.610 1.00 0.00 C ATOM 461 ND1 HIS A 32 0.989 18.499 -42.820 1.00 0.00 N ATOM 462 CD2 HIS A 32 1.333 20.214 -41.513 1.00 0.00 C ATOM 463 CE1 HIS A 32 1.864 19.282 -43.425 1.00 0.00 C ATOM 464 NE2 HIS A 32 2.089 20.330 -42.653 1.00 0.00 N ATOM 0 H HIS A 32 -2.233 20.040 -40.735 1.00 0.00 H new ATOM 0 HA HIS A 32 -1.524 17.765 -42.341 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.506 19.088 -39.823 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.090 17.503 -40.276 1.00 0.00 H new ATOM 0 HD1 HIS A 32 0.631 17.618 -43.190 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.301 20.915 -40.692 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.318 19.097 -44.387 1.00 0.00 H new ATOM 508 N LYS A 36 -5.073 8.384 -37.619 1.00 0.00 N ATOM 509 CA LYS A 36 -5.613 7.556 -36.548 1.00 0.00 C ATOM 510 C LYS A 36 -4.543 7.247 -35.506 1.00 0.00 C ATOM 511 O LYS A 36 -3.695 6.378 -35.712 1.00 0.00 O ATOM 512 CB LYS A 36 -6.177 6.252 -37.118 1.00 0.00 C ATOM 513 CG LYS A 36 -7.573 6.395 -37.698 1.00 0.00 C ATOM 514 CD LYS A 36 -8.632 5.879 -36.738 1.00 0.00 C ATOM 515 CE LYS A 36 -8.959 6.905 -35.664 1.00 0.00 C ATOM 516 NZ LYS A 36 -9.982 6.400 -34.707 1.00 0.00 N ATOM 0 HA LYS A 36 -6.416 8.111 -36.064 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.506 5.885 -37.894 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.195 5.499 -36.330 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.767 7.443 -37.926 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.635 5.847 -38.638 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.537 5.630 -37.292 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.282 4.959 -36.269 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.050 7.164 -35.121 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.321 7.819 -36.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.870 6.882 -33.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.933 6.589 -35.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.859 5.376 -34.576 1.00 0.00 H new ATOM 530 N PHE A 37 -4.588 7.962 -34.387 1.00 0.00 N ATOM 531 CA PHE A 37 -3.622 7.763 -33.313 1.00 0.00 C ATOM 532 C PHE A 37 -4.159 6.786 -32.272 1.00 0.00 C ATOM 533 O PHE A 37 -5.080 7.106 -31.521 1.00 0.00 O ATOM 534 CB PHE A 37 -3.285 9.100 -32.648 1.00 0.00 C ATOM 535 CG PHE A 37 -2.819 10.150 -33.615 1.00 0.00 C ATOM 536 CD1 PHE A 37 -1.485 10.230 -33.982 1.00 0.00 C ATOM 537 CD2 PHE A 37 -3.715 11.057 -34.158 1.00 0.00 C ATOM 538 CE1 PHE A 37 -1.054 11.196 -34.872 1.00 0.00 C ATOM 539 CE2 PHE A 37 -3.289 12.025 -35.048 1.00 0.00 C ATOM 540 CZ PHE A 37 -1.957 12.094 -35.406 1.00 0.00 C ATOM 0 H PHE A 37 -5.283 8.685 -34.200 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.715 7.341 -33.747 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.166 9.467 -32.122 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.510 8.939 -31.898 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.774 9.530 -33.568 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.758 11.007 -33.883 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.012 11.248 -35.150 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.997 12.727 -35.463 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.622 12.849 -36.102 1.00 0.00 H new ATOM 550 N ALA A 38 -3.578 5.591 -32.235 1.00 0.00 N ATOM 551 CA ALA A 38 -3.996 4.567 -31.286 1.00 0.00 C ATOM 552 C ALA A 38 -3.326 4.767 -29.931 1.00 0.00 C ATOM 553 O ALA A 38 -2.222 5.306 -29.846 1.00 0.00 O ATOM 554 CB ALA A 38 -3.683 3.182 -31.832 1.00 0.00 C ATOM 0 H ALA A 38 -2.816 5.309 -32.852 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.073 4.656 -31.146 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.001 2.427 -31.113 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.214 3.033 -32.772 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.610 3.092 -32.003 1.00 0.00 H new ATOM 560 N CYS A 39 -4.001 4.331 -28.872 1.00 0.00 N ATOM 561 CA CYS A 39 -3.472 4.463 -27.520 1.00 0.00 C ATOM 562 C CYS A 39 -2.423 3.392 -27.239 1.00 0.00 C ATOM 563 O CYS A 39 -2.609 2.222 -27.576 1.00 0.00 O ATOM 564 CB CYS A 39 -4.604 4.365 -26.495 1.00 0.00 C ATOM 565 SG CYS A 39 -4.048 4.448 -24.763 1.00 0.00 S ATOM 0 H CYS A 39 -4.916 3.883 -28.925 1.00 0.00 H new ATOM 0 HA CYS A 39 -2.998 5.441 -27.436 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.315 5.171 -26.676 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.139 3.428 -26.649 1.00 0.00 H new ATOM 0 HG CYS A 39 -5.071 4.653 -23.988 1.00 0.00 H new ATOM 570 N ASP A 40 -1.320 3.800 -26.621 1.00 0.00 N ATOM 571 CA ASP A 40 -0.240 2.875 -26.294 1.00 0.00 C ATOM 572 C ASP A 40 -0.499 2.190 -24.956 1.00 0.00 C ATOM 573 O ASP A 40 0.427 1.705 -24.306 1.00 0.00 O ATOM 574 CB ASP A 40 1.098 3.614 -26.252 1.00 0.00 C ATOM 575 CG ASP A 40 1.803 3.611 -27.594 1.00 0.00 C ATOM 576 OD1 ASP A 40 2.393 2.570 -27.951 1.00 0.00 O ATOM 577 OD2 ASP A 40 1.766 4.650 -28.287 1.00 0.00 O ATOM 0 H ASP A 40 -1.150 4.765 -26.336 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.200 2.112 -27.071 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.931 4.643 -25.935 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.743 3.150 -25.505 1.00 0.00 H new ATOM 582 N TYR A 41 -1.763 2.155 -24.549 1.00 0.00 N ATOM 583 CA TYR A 41 -2.144 1.533 -23.287 1.00 0.00 C ATOM 584 C TYR A 41 -3.308 0.568 -23.484 1.00 0.00 C ATOM 585 O TYR A 41 -3.385 -0.473 -22.831 1.00 0.00 O ATOM 586 CB TYR A 41 -2.521 2.602 -22.260 1.00 0.00 C ATOM 587 CG TYR A 41 -1.421 3.605 -21.997 1.00 0.00 C ATOM 588 CD1 TYR A 41 -0.943 4.424 -23.012 1.00 0.00 C ATOM 589 CD2 TYR A 41 -0.859 3.733 -20.733 1.00 0.00 C ATOM 590 CE1 TYR A 41 0.063 5.341 -22.776 1.00 0.00 C ATOM 591 CE2 TYR A 41 0.147 4.648 -20.487 1.00 0.00 C ATOM 592 CZ TYR A 41 0.605 5.449 -21.512 1.00 0.00 C ATOM 593 OH TYR A 41 1.606 6.362 -21.273 1.00 0.00 O ATOM 0 H TYR A 41 -2.542 2.551 -25.076 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.288 0.969 -22.917 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.408 3.131 -22.608 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.788 2.115 -21.322 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.365 4.343 -24.003 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -1.215 3.106 -19.928 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.423 5.970 -23.577 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.572 4.735 -19.498 1.00 0.00 H new ATOM 0 HH TYR A 41 1.876 6.312 -20.332 1.00 0.00 H new ATOM 603 N CYS A 42 -4.214 0.921 -24.391 1.00 0.00 N ATOM 604 CA CYS A 42 -5.375 0.088 -24.677 1.00 0.00 C ATOM 605 C CYS A 42 -5.682 0.077 -26.172 1.00 0.00 C ATOM 606 O CYS A 42 -4.937 0.640 -26.973 1.00 0.00 O ATOM 607 CB CYS A 42 -6.593 0.590 -23.899 1.00 0.00 C ATOM 608 SG CYS A 42 -7.196 2.223 -24.435 1.00 0.00 S ATOM 0 H CYS A 42 -4.165 1.779 -24.940 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.146 -0.931 -24.363 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.400 -0.135 -24.001 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.340 0.638 -22.840 1.00 0.00 H new ATOM 0 HG CYS A 42 -6.183 2.997 -24.690 1.00 0.00 H new ATOM 613 N SER A 43 -6.785 -0.569 -26.539 1.00 0.00 N ATOM 614 CA SER A 43 -7.189 -0.656 -27.937 1.00 0.00 C ATOM 615 C SER A 43 -7.969 0.586 -28.357 1.00 0.00 C ATOM 616 O SER A 43 -8.866 0.516 -29.197 1.00 0.00 O ATOM 617 CB SER A 43 -8.039 -1.908 -28.167 1.00 0.00 C ATOM 618 OG SER A 43 -8.055 -2.268 -29.537 1.00 0.00 O ATOM 0 H SER A 43 -7.414 -1.039 -25.888 1.00 0.00 H new ATOM 0 HA SER A 43 -6.287 -0.720 -28.546 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.644 -2.734 -27.575 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.058 -1.728 -27.823 1.00 0.00 H new ATOM 0 HG SER A 43 -8.338 -1.499 -30.074 1.00 0.00 H new ATOM 624 N PHE A 44 -7.620 1.723 -27.764 1.00 0.00 N ATOM 625 CA PHE A 44 -8.288 2.982 -28.074 1.00 0.00 C ATOM 626 C PHE A 44 -7.668 3.638 -29.305 1.00 0.00 C ATOM 627 O PHE A 44 -6.494 3.426 -29.612 1.00 0.00 O ATOM 628 CB PHE A 44 -8.205 3.935 -26.880 1.00 0.00 C ATOM 629 CG PHE A 44 -8.716 5.316 -27.178 1.00 0.00 C ATOM 630 CD1 PHE A 44 -10.068 5.605 -27.081 1.00 0.00 C ATOM 631 CD2 PHE A 44 -7.845 6.325 -27.555 1.00 0.00 C ATOM 632 CE1 PHE A 44 -10.541 6.874 -27.355 1.00 0.00 C ATOM 633 CE2 PHE A 44 -8.312 7.596 -27.830 1.00 0.00 C ATOM 634 CZ PHE A 44 -9.662 7.871 -27.729 1.00 0.00 C ATOM 0 H PHE A 44 -6.879 1.799 -27.067 1.00 0.00 H new ATOM 0 HA PHE A 44 -9.335 2.766 -28.287 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.775 3.516 -26.051 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -7.168 4.003 -26.551 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.760 4.829 -26.788 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.788 6.116 -27.635 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -11.597 7.086 -27.277 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.622 8.374 -28.124 1.00 0.00 H new ATOM 0 HZ PHE A 44 -10.029 8.864 -27.942 1.00 0.00 H new ATOM 644 N THR A 45 -8.466 4.435 -30.009 1.00 0.00 N ATOM 645 CA THR A 45 -7.999 5.120 -31.207 1.00 0.00 C ATOM 646 C THR A 45 -8.720 6.449 -31.397 1.00 0.00 C ATOM 647 O THR A 45 -9.891 6.587 -31.042 1.00 0.00 O ATOM 648 CB THR A 45 -8.203 4.254 -32.465 1.00 0.00 C ATOM 649 OG1 THR A 45 -9.488 3.623 -32.423 1.00 0.00 O ATOM 650 CG2 THR A 45 -7.116 3.195 -32.575 1.00 0.00 C ATOM 0 H THR A 45 -9.440 4.622 -29.769 1.00 0.00 H new ATOM 0 HA THR A 45 -6.933 5.304 -31.070 1.00 0.00 H new ATOM 0 HB THR A 45 -8.146 4.903 -33.339 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.610 3.076 -33.227 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.281 2.596 -33.471 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.141 3.679 -32.637 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.146 2.550 -31.697 1.00 0.00 H new ATOM 658 N CYS A 46 -8.015 7.424 -31.960 1.00 0.00 N ATOM 659 CA CYS A 46 -8.589 8.744 -32.197 1.00 0.00 C ATOM 660 C CYS A 46 -8.084 9.328 -33.513 1.00 0.00 C ATOM 661 O CYS A 46 -7.114 8.836 -34.091 1.00 0.00 O ATOM 662 CB CYS A 46 -8.247 9.687 -31.043 1.00 0.00 C ATOM 663 SG CYS A 46 -9.505 10.945 -30.721 1.00 0.00 S ATOM 0 H CYS A 46 -7.045 7.326 -32.261 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.672 8.636 -32.259 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -8.098 9.098 -30.138 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -7.301 10.182 -31.261 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.546 11.202 -29.447 1.00 0.00 H new ATOM 669 N LEU A 47 -8.748 10.379 -33.981 1.00 0.00 N ATOM 670 CA LEU A 47 -8.368 11.029 -35.230 1.00 0.00 C ATOM 671 C LEU A 47 -7.484 12.244 -34.964 1.00 0.00 C ATOM 672 O LEU A 47 -6.685 12.641 -35.813 1.00 0.00 O ATOM 673 CB LEU A 47 -9.615 11.453 -36.008 1.00 0.00 C ATOM 674 CG LEU A 47 -9.497 11.428 -37.532 1.00 0.00 C ATOM 675 CD1 LEU A 47 -9.288 10.005 -38.028 1.00 0.00 C ATOM 676 CD2 LEU A 47 -10.732 12.042 -38.173 1.00 0.00 C ATOM 0 H LEU A 47 -9.552 10.799 -33.514 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.802 10.313 -35.826 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.439 10.802 -35.717 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.884 12.464 -35.701 1.00 0.00 H new ATOM 0 HG LEU A 47 -8.630 12.022 -37.820 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.206 10.007 -39.115 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.373 9.600 -37.596 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.135 9.387 -37.729 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.630 12.016 -39.258 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -11.615 11.475 -37.878 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.837 13.076 -37.844 1.00 0.00 H new ATOM 688 N SER A 48 -7.630 12.828 -33.779 1.00 0.00 N ATOM 689 CA SER A 48 -6.846 13.998 -33.402 1.00 0.00 C ATOM 690 C SER A 48 -5.928 13.680 -32.226 1.00 0.00 C ATOM 691 O SER A 48 -6.303 13.848 -31.066 1.00 0.00 O ATOM 692 CB SER A 48 -7.770 15.163 -33.041 1.00 0.00 C ATOM 693 OG SER A 48 -8.181 15.866 -34.201 1.00 0.00 O ATOM 0 H SER A 48 -8.284 12.510 -33.064 1.00 0.00 H new ATOM 0 HA SER A 48 -6.230 14.283 -34.255 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.645 14.787 -32.511 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.255 15.843 -32.363 1.00 0.00 H new ATOM 0 HG SER A 48 -8.772 16.604 -33.944 1.00 0.00 H new ATOM 699 N LYS A 49 -4.720 13.219 -32.535 1.00 0.00 N ATOM 700 CA LYS A 49 -3.745 12.877 -31.506 1.00 0.00 C ATOM 701 C LYS A 49 -3.936 13.745 -30.266 1.00 0.00 C ATOM 702 O LYS A 49 -3.841 13.262 -29.138 1.00 0.00 O ATOM 703 CB LYS A 49 -2.323 13.047 -32.046 1.00 0.00 C ATOM 704 CG LYS A 49 -2.172 14.215 -33.004 1.00 0.00 C ATOM 705 CD LYS A 49 -1.766 15.486 -32.275 1.00 0.00 C ATOM 706 CE LYS A 49 -0.254 15.640 -32.224 1.00 0.00 C ATOM 707 NZ LYS A 49 0.337 14.928 -31.057 1.00 0.00 N ATOM 0 H LYS A 49 -4.393 13.074 -33.490 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.899 11.835 -31.226 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.639 13.184 -31.208 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.024 12.130 -32.554 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.424 13.973 -33.759 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.113 14.380 -33.529 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.204 16.350 -32.775 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.165 15.469 -31.261 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.182 15.252 -33.145 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.002 16.698 -32.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.287 15.304 -30.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.266 15.070 -30.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.403 13.912 -31.268 1.00 0.00 H new ATOM 721 N GLY A 50 -4.208 15.028 -30.483 1.00 0.00 N ATOM 722 CA GLY A 50 -4.410 15.941 -29.373 1.00 0.00 C ATOM 723 C GLY A 50 -5.274 15.344 -28.280 1.00 0.00 C ATOM 724 O GLY A 50 -4.897 15.350 -27.108 1.00 0.00 O ATOM 0 H GLY A 50 -4.292 15.451 -31.407 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.443 16.220 -28.955 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.875 16.856 -29.740 1.00 0.00 H new ATOM 728 N HIS A 51 -6.438 14.828 -28.664 1.00 0.00 N ATOM 729 CA HIS A 51 -7.359 14.225 -27.707 1.00 0.00 C ATOM 730 C HIS A 51 -6.773 12.944 -27.123 1.00 0.00 C ATOM 731 O HIS A 51 -6.831 12.717 -25.913 1.00 0.00 O ATOM 732 CB HIS A 51 -8.701 13.928 -28.377 1.00 0.00 C ATOM 733 CG HIS A 51 -9.764 13.487 -27.419 1.00 0.00 C ATOM 734 ND1 HIS A 51 -10.867 12.754 -27.803 1.00 0.00 N ATOM 735 CD2 HIS A 51 -9.888 13.677 -26.084 1.00 0.00 C ATOM 736 CE1 HIS A 51 -11.624 12.514 -26.748 1.00 0.00 C ATOM 737 NE2 HIS A 51 -11.052 13.064 -25.691 1.00 0.00 N ATOM 0 H HIS A 51 -6.765 14.815 -29.630 1.00 0.00 H new ATOM 0 HA HIS A 51 -7.517 14.934 -26.894 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -9.042 14.822 -28.900 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -8.558 13.153 -29.130 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -9.199 14.212 -25.447 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -12.552 11.962 -26.749 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -11.416 13.037 -24.739 1.00 0.00 H new ATOM 745 N LEU A 52 -6.211 12.108 -27.988 1.00 0.00 N ATOM 746 CA LEU A 52 -5.615 10.848 -27.558 1.00 0.00 C ATOM 747 C LEU A 52 -4.742 11.051 -26.324 1.00 0.00 C ATOM 748 O LEU A 52 -4.758 10.240 -25.398 1.00 0.00 O ATOM 749 CB LEU A 52 -4.784 10.241 -28.691 1.00 0.00 C ATOM 750 CG LEU A 52 -3.915 9.040 -28.317 1.00 0.00 C ATOM 751 CD1 LEU A 52 -4.783 7.871 -27.875 1.00 0.00 C ATOM 752 CD2 LEU A 52 -3.029 8.637 -29.487 1.00 0.00 C ATOM 0 H LEU A 52 -6.155 12.280 -28.992 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.422 10.162 -27.300 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.461 9.939 -29.490 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.138 11.019 -29.098 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.273 9.325 -27.484 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.148 7.025 -27.613 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.374 8.164 -27.007 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.450 7.585 -28.688 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.418 7.781 -29.202 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.652 8.370 -30.340 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.382 9.471 -29.757 1.00 0.00 H new ATOM 764 N LYS A 53 -3.981 12.141 -26.317 1.00 0.00 N ATOM 765 CA LYS A 53 -3.103 12.454 -25.196 1.00 0.00 C ATOM 766 C LYS A 53 -3.899 12.577 -23.900 1.00 0.00 C ATOM 767 O LYS A 53 -3.489 12.066 -22.858 1.00 0.00 O ATOM 768 CB LYS A 53 -2.343 13.755 -25.465 1.00 0.00 C ATOM 769 CG LYS A 53 -1.707 14.356 -24.223 1.00 0.00 C ATOM 770 CD LYS A 53 -0.847 15.561 -24.565 1.00 0.00 C ATOM 771 CE LYS A 53 0.568 15.147 -24.939 1.00 0.00 C ATOM 772 NZ LYS A 53 1.411 16.320 -25.303 1.00 0.00 N ATOM 0 H LYS A 53 -3.955 12.822 -27.076 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.388 11.638 -25.087 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.566 13.566 -26.205 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.028 14.483 -25.901 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.486 14.652 -23.521 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.097 13.602 -23.724 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.298 16.108 -25.393 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.815 16.240 -23.713 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.024 14.617 -24.103 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.533 14.451 -25.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.368 15.996 -25.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.989 16.811 -26.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.465 16.973 -24.495 1.00 0.00 H new ATOM 786 N VAL A 54 -5.039 13.256 -23.973 1.00 0.00 N ATOM 787 CA VAL A 54 -5.893 13.443 -22.806 1.00 0.00 C ATOM 788 C VAL A 54 -6.511 12.123 -22.360 1.00 0.00 C ATOM 789 O VAL A 54 -6.687 11.880 -21.165 1.00 0.00 O ATOM 790 CB VAL A 54 -7.020 14.454 -23.092 1.00 0.00 C ATOM 791 CG1 VAL A 54 -7.959 14.558 -21.899 1.00 0.00 C ATOM 792 CG2 VAL A 54 -6.438 15.815 -23.443 1.00 0.00 C ATOM 0 H VAL A 54 -5.393 13.686 -24.828 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.259 13.832 -22.009 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.595 14.099 -23.947 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -8.749 15.276 -22.119 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.402 13.582 -21.698 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.400 14.890 -21.024 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.248 16.517 -23.642 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.838 16.180 -22.609 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.810 15.725 -24.330 1.00 0.00 H new ATOM 802 N HIS A 55 -6.837 11.272 -23.327 1.00 0.00 N ATOM 803 CA HIS A 55 -7.435 9.974 -23.034 1.00 0.00 C ATOM 804 C HIS A 55 -6.582 9.196 -22.036 1.00 0.00 C ATOM 805 O HIS A 55 -7.106 8.516 -21.154 1.00 0.00 O ATOM 806 CB HIS A 55 -7.603 9.164 -24.320 1.00 0.00 C ATOM 807 CG HIS A 55 -7.617 7.683 -24.097 1.00 0.00 C ATOM 808 ND1 HIS A 55 -8.748 6.989 -23.724 1.00 0.00 N ATOM 809 CD2 HIS A 55 -6.630 6.763 -24.199 1.00 0.00 C ATOM 810 CE1 HIS A 55 -8.456 5.706 -23.604 1.00 0.00 C ATOM 811 NE2 HIS A 55 -7.176 5.542 -23.888 1.00 0.00 N ATOM 0 H HIS A 55 -6.697 11.457 -24.320 1.00 0.00 H new ATOM 0 HA HIS A 55 -8.416 10.145 -22.591 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -8.533 9.459 -24.807 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.792 9.412 -25.005 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -9.667 7.402 -23.565 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.603 6.954 -24.474 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.146 4.924 -23.322 1.00 0.00 H new ATOM 819 N ILE A 56 -5.265 9.300 -22.184 1.00 0.00 N ATOM 820 CA ILE A 56 -4.340 8.607 -21.296 1.00 0.00 C ATOM 821 C ILE A 56 -4.197 9.343 -19.968 1.00 0.00 C ATOM 822 O ILE A 56 -4.060 8.721 -18.915 1.00 0.00 O ATOM 823 CB ILE A 56 -2.949 8.455 -21.939 1.00 0.00 C ATOM 824 CG1 ILE A 56 -3.057 7.702 -23.267 1.00 0.00 C ATOM 825 CG2 ILE A 56 -2.003 7.735 -20.990 1.00 0.00 C ATOM 826 CD1 ILE A 56 -1.958 8.047 -24.247 1.00 0.00 C ATOM 0 H ILE A 56 -4.815 9.857 -22.910 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.758 7.616 -21.116 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.546 9.448 -22.138 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.035 6.630 -23.071 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.022 7.922 -23.723 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.024 7.635 -21.459 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.907 8.308 -20.068 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.399 6.745 -20.763 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.097 7.477 -25.165 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.993 9.113 -24.473 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.990 7.800 -23.810 1.00 0.00 H new ATOM 838 N GLU A 57 -4.230 10.670 -20.027 1.00 0.00 N ATOM 839 CA GLU A 57 -4.105 11.491 -18.828 1.00 0.00 C ATOM 840 C GLU A 57 -5.381 11.433 -17.993 1.00 0.00 C ATOM 841 O GLU A 57 -5.416 11.913 -16.860 1.00 0.00 O ATOM 842 CB GLU A 57 -3.794 12.941 -19.206 1.00 0.00 C ATOM 843 CG GLU A 57 -2.629 13.082 -20.170 1.00 0.00 C ATOM 844 CD GLU A 57 -1.301 13.260 -19.460 1.00 0.00 C ATOM 845 OE1 GLU A 57 -0.966 12.411 -18.607 1.00 0.00 O ATOM 846 OE2 GLU A 57 -0.598 14.248 -19.756 1.00 0.00 O ATOM 0 H GLU A 57 -4.342 11.200 -20.891 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.283 11.095 -18.231 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.681 13.389 -19.653 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.575 13.505 -18.299 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.581 12.199 -20.807 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.805 13.937 -20.823 1.00 0.00 H new ATOM 853 N ARG A 58 -6.427 10.844 -18.563 1.00 0.00 N ATOM 854 CA ARG A 58 -7.706 10.726 -17.873 1.00 0.00 C ATOM 855 C ARG A 58 -8.045 9.262 -17.605 1.00 0.00 C ATOM 856 O ARG A 58 -8.676 8.934 -16.599 1.00 0.00 O ATOM 857 CB ARG A 58 -8.818 11.375 -18.699 1.00 0.00 C ATOM 858 CG ARG A 58 -9.473 10.427 -19.691 1.00 0.00 C ATOM 859 CD ARG A 58 -10.120 11.183 -20.841 1.00 0.00 C ATOM 860 NE ARG A 58 -11.470 11.632 -20.510 1.00 0.00 N ATOM 861 CZ ARG A 58 -12.557 10.894 -20.705 1.00 0.00 C ATOM 862 NH1 ARG A 58 -12.454 9.680 -21.225 1.00 0.00 N ATOM 863 NH2 ARG A 58 -13.751 11.372 -20.378 1.00 0.00 N ATOM 0 H ARG A 58 -6.414 10.441 -19.500 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.624 11.244 -16.917 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.580 11.764 -18.024 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.407 12.227 -19.241 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.727 9.736 -20.083 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -10.226 9.827 -19.180 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.505 12.045 -21.100 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.157 10.541 -21.721 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.584 12.562 -20.107 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -11.538 9.309 -21.477 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -13.291 9.116 -21.373 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.834 12.306 -19.977 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.586 10.805 -20.528 1.00 0.00 H new ATOM 877 N VAL A 59 -7.623 8.387 -18.511 1.00 0.00 N ATOM 878 CA VAL A 59 -7.882 6.958 -18.373 1.00 0.00 C ATOM 879 C VAL A 59 -6.671 6.235 -17.794 1.00 0.00 C ATOM 880 O VAL A 59 -6.746 5.639 -16.718 1.00 0.00 O ATOM 881 CB VAL A 59 -8.248 6.321 -19.726 1.00 0.00 C ATOM 882 CG1 VAL A 59 -8.462 4.823 -19.570 1.00 0.00 C ATOM 883 CG2 VAL A 59 -9.485 6.986 -20.310 1.00 0.00 C ATOM 0 H VAL A 59 -7.100 8.642 -19.349 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.726 6.853 -17.691 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.419 6.476 -20.417 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.720 4.390 -20.536 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.547 4.362 -19.198 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.272 4.643 -18.864 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -9.730 6.524 -21.266 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.322 6.864 -19.623 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.291 8.048 -20.460 1.00 0.00 H new ATOM 893 N HIS A 60 -5.555 6.290 -18.513 1.00 0.00 N ATOM 894 CA HIS A 60 -4.327 5.641 -18.070 1.00 0.00 C ATOM 895 C HIS A 60 -3.474 6.598 -17.242 1.00 0.00 C ATOM 896 O HIS A 60 -2.252 6.640 -17.386 1.00 0.00 O ATOM 897 CB HIS A 60 -3.528 5.138 -19.273 1.00 0.00 C ATOM 898 CG HIS A 60 -4.324 4.275 -20.202 1.00 0.00 C ATOM 899 ND1 HIS A 60 -4.540 2.931 -19.982 1.00 0.00 N ATOM 900 CD2 HIS A 60 -4.960 4.571 -21.360 1.00 0.00 C ATOM 901 CE1 HIS A 60 -5.272 2.437 -20.964 1.00 0.00 C ATOM 902 NE2 HIS A 60 -5.541 3.413 -21.814 1.00 0.00 N ATOM 0 H HIS A 60 -5.476 6.778 -19.405 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.600 4.792 -17.444 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.143 5.994 -19.826 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.666 4.575 -18.916 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.002 5.539 -21.838 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.596 1.411 -21.057 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.091 3.321 -22.668 1.00 0.00 H new ATOM 910 N LYS A 61 -4.126 7.366 -16.376 1.00 0.00 N ATOM 911 CA LYS A 61 -3.430 8.322 -15.525 1.00 0.00 C ATOM 912 C LYS A 61 -2.926 7.651 -14.251 1.00 0.00 C ATOM 913 O LYS A 61 -3.515 6.681 -13.773 1.00 0.00 O ATOM 914 CB LYS A 61 -4.355 9.487 -15.168 1.00 0.00 C ATOM 915 CG LYS A 61 -3.853 10.330 -14.008 1.00 0.00 C ATOM 916 CD LYS A 61 -2.644 11.160 -14.406 1.00 0.00 C ATOM 917 CE LYS A 61 -3.040 12.338 -15.284 1.00 0.00 C ATOM 918 NZ LYS A 61 -2.010 13.413 -15.267 1.00 0.00 N ATOM 0 H LYS A 61 -5.137 7.344 -16.245 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.572 8.704 -16.078 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.477 10.125 -16.044 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.341 9.094 -14.920 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.650 10.988 -13.663 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.591 9.682 -13.172 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.142 11.525 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.930 10.532 -14.939 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.189 11.994 -16.308 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.993 12.742 -14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.317 14.197 -15.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.885 13.759 -14.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.107 13.034 -15.618 1.00 0.00 H new ATOM 995 N GLN A 65 5.719 3.472 -15.603 1.00 0.00 N ATOM 996 CA GLN A 65 6.251 3.253 -16.943 1.00 0.00 C ATOM 997 C GLN A 65 7.541 2.442 -16.891 1.00 0.00 C ATOM 998 O GLN A 65 8.476 2.789 -16.169 1.00 0.00 O ATOM 999 CB GLN A 65 6.504 4.592 -17.639 1.00 0.00 C ATOM 1000 CG GLN A 65 5.232 5.349 -17.982 1.00 0.00 C ATOM 1001 CD GLN A 65 4.457 4.706 -19.116 1.00 0.00 C ATOM 1002 OE1 GLN A 65 4.968 4.558 -20.226 1.00 0.00 O ATOM 1003 NE2 GLN A 65 3.217 4.318 -18.841 1.00 0.00 N ATOM 0 HA GLN A 65 5.512 2.689 -17.512 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.125 5.215 -16.995 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.070 4.415 -18.554 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.597 5.403 -17.098 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.486 6.373 -18.256 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.833 4.460 -17.907 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.648 3.878 -19.564 1.00 0.00 H new ATOM 1012 N HIS A 66 7.585 1.359 -17.661 1.00 0.00 N ATOM 1013 CA HIS A 66 8.762 0.498 -17.702 1.00 0.00 C ATOM 1014 C HIS A 66 9.635 0.828 -18.909 1.00 0.00 C ATOM 1015 O HIS A 66 9.154 0.875 -20.042 1.00 0.00 O ATOM 1016 CB HIS A 66 8.343 -0.972 -17.749 1.00 0.00 C ATOM 1017 CG HIS A 66 7.802 -1.399 -19.079 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.519 -1.114 -19.496 1.00 0.00 N ATOM 1019 CD2 HIS A 66 8.379 -2.093 -20.087 1.00 0.00 C ATOM 1020 CE1 HIS A 66 6.330 -1.615 -20.704 1.00 0.00 C ATOM 1021 NE2 HIS A 66 7.443 -2.214 -21.085 1.00 0.00 N ATOM 0 H HIS A 66 6.820 1.057 -18.264 1.00 0.00 H new ATOM 0 HA HIS A 66 9.342 0.675 -16.796 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.202 -1.594 -17.499 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.587 -1.150 -16.984 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.387 -2.480 -20.104 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.420 -1.546 -21.281 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.585 -2.690 -21.976 1.00 0.00 H new ATOM 1029 N CYS A 67 10.919 1.057 -18.659 1.00 0.00 N ATOM 1030 CA CYS A 67 11.860 1.385 -19.724 1.00 0.00 C ATOM 1031 C CYS A 67 12.018 0.213 -20.689 1.00 0.00 C ATOM 1032 O CYS A 67 12.266 -0.918 -20.273 1.00 0.00 O ATOM 1033 CB CYS A 67 13.220 1.761 -19.134 1.00 0.00 C ATOM 1034 SG CYS A 67 14.360 2.534 -20.326 1.00 0.00 S ATOM 0 H CYS A 67 11.333 1.022 -17.727 1.00 0.00 H new ATOM 0 HA CYS A 67 11.463 2.237 -20.276 1.00 0.00 H new ATOM 0 HB2 CYS A 67 13.065 2.445 -18.300 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.689 0.864 -18.729 1.00 0.00 H new ATOM 0 HG CYS A 67 13.870 2.429 -21.526 1.00 0.00 H new ATOM 1039 N ARG A 68 11.873 0.494 -21.980 1.00 0.00 N ATOM 1040 CA ARG A 68 11.998 -0.536 -23.005 1.00 0.00 C ATOM 1041 C ARG A 68 13.463 -0.767 -23.366 1.00 0.00 C ATOM 1042 O ARG A 68 13.772 -1.336 -24.413 1.00 0.00 O ATOM 1043 CB ARG A 68 11.210 -0.140 -24.255 1.00 0.00 C ATOM 1044 CG ARG A 68 11.950 0.833 -25.159 1.00 0.00 C ATOM 1045 CD ARG A 68 12.143 2.182 -24.485 1.00 0.00 C ATOM 1046 NE ARG A 68 10.878 2.753 -24.030 1.00 0.00 N ATOM 1047 CZ ARG A 68 10.075 3.473 -24.806 1.00 0.00 C ATOM 1048 NH1 ARG A 68 10.404 3.709 -26.068 1.00 0.00 N ATOM 1049 NH2 ARG A 68 8.940 3.958 -24.319 1.00 0.00 N ATOM 0 H ARG A 68 11.669 1.426 -22.341 1.00 0.00 H new ATOM 0 HA ARG A 68 11.589 -1.464 -22.605 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.970 -1.039 -24.823 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.264 0.308 -23.951 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.921 0.416 -25.426 1.00 0.00 H new ATOM 0 HG3 ARG A 68 11.393 0.965 -26.087 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.816 2.070 -23.635 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.621 2.870 -25.182 1.00 0.00 H new ATOM 0 HE ARG A 68 10.596 2.590 -23.064 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.276 3.338 -26.446 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.786 4.262 -26.661 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.683 3.778 -23.348 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.324 4.511 -24.915 1.00 0.00 H new ATOM 1063 N PHE A 69 14.360 -0.323 -22.492 1.00 0.00 N ATOM 1064 CA PHE A 69 15.792 -0.481 -22.719 1.00 0.00 C ATOM 1065 C PHE A 69 16.430 -1.309 -21.608 1.00 0.00 C ATOM 1066 O PHE A 69 17.235 -2.204 -21.870 1.00 0.00 O ATOM 1067 CB PHE A 69 16.470 0.888 -22.804 1.00 0.00 C ATOM 1068 CG PHE A 69 16.214 1.605 -24.099 1.00 0.00 C ATOM 1069 CD1 PHE A 69 16.879 1.232 -25.255 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.307 2.650 -24.160 1.00 0.00 C ATOM 1071 CE1 PHE A 69 16.646 1.890 -26.448 1.00 0.00 C ATOM 1072 CE2 PHE A 69 15.069 3.312 -25.350 1.00 0.00 C ATOM 1073 CZ PHE A 69 15.739 2.931 -26.496 1.00 0.00 C ATOM 0 H PHE A 69 14.121 0.149 -21.620 1.00 0.00 H new ATOM 0 HA PHE A 69 15.929 -1.006 -23.664 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.121 1.509 -21.979 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.545 0.761 -22.675 1.00 0.00 H new ATOM 0 HD1 PHE A 69 17.588 0.418 -25.224 1.00 0.00 H new ATOM 0 HD2 PHE A 69 14.779 2.951 -23.267 1.00 0.00 H new ATOM 0 HE1 PHE A 69 17.173 1.591 -27.342 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.360 4.126 -25.383 1.00 0.00 H new ATOM 0 HZ PHE A 69 15.554 3.446 -27.427 1.00 0.00 H new ATOM 1083 N CYS A 70 16.066 -1.005 -20.367 1.00 0.00 N ATOM 1084 CA CYS A 70 16.603 -1.719 -19.215 1.00 0.00 C ATOM 1085 C CYS A 70 15.478 -2.245 -18.328 1.00 0.00 C ATOM 1086 O CYS A 70 15.676 -2.501 -17.141 1.00 0.00 O ATOM 1087 CB CYS A 70 17.521 -0.803 -18.403 1.00 0.00 C ATOM 1088 SG CYS A 70 16.702 0.692 -17.762 1.00 0.00 S ATOM 0 H CYS A 70 15.401 -0.268 -20.133 1.00 0.00 H new ATOM 0 HA CYS A 70 17.180 -2.568 -19.582 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.931 -1.367 -17.565 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.363 -0.504 -19.028 1.00 0.00 H new ATOM 0 HG CYS A 70 15.910 1.177 -18.672 1.00 0.00 H new ATOM 1093 N LYS A 71 14.296 -2.404 -18.914 1.00 0.00 N ATOM 1094 CA LYS A 71 13.138 -2.901 -18.180 1.00 0.00 C ATOM 1095 C LYS A 71 13.102 -2.326 -16.767 1.00 0.00 C ATOM 1096 O LYS A 71 13.019 -3.066 -15.787 1.00 0.00 O ATOM 1097 CB LYS A 71 13.165 -4.430 -18.119 1.00 0.00 C ATOM 1098 CG LYS A 71 12.792 -5.097 -19.431 1.00 0.00 C ATOM 1099 CD LYS A 71 13.925 -5.016 -20.440 1.00 0.00 C ATOM 1100 CE LYS A 71 13.581 -5.751 -21.726 1.00 0.00 C ATOM 1101 NZ LYS A 71 14.457 -5.334 -22.855 1.00 0.00 N ATOM 0 H LYS A 71 14.115 -2.196 -19.896 1.00 0.00 H new ATOM 0 HA LYS A 71 12.240 -2.580 -18.707 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.163 -4.756 -17.826 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.479 -4.767 -17.342 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.539 -6.142 -19.250 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.902 -4.620 -19.843 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.140 -3.971 -20.664 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.830 -5.442 -20.007 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.679 -6.825 -21.568 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.539 -5.561 -21.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.190 -5.858 -23.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.345 -4.314 -23.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.449 -5.539 -22.619 1.00 0.00 H new ATOM 1115 N LYS A 72 13.164 -1.002 -16.671 1.00 0.00 N ATOM 1116 CA LYS A 72 13.136 -0.327 -15.379 1.00 0.00 C ATOM 1117 C LYS A 72 11.844 0.466 -15.207 1.00 0.00 C ATOM 1118 O LYS A 72 11.543 1.360 -15.998 1.00 0.00 O ATOM 1119 CB LYS A 72 14.341 0.606 -15.241 1.00 0.00 C ATOM 1120 CG LYS A 72 14.716 0.908 -13.800 1.00 0.00 C ATOM 1121 CD LYS A 72 15.937 1.808 -13.718 1.00 0.00 C ATOM 1122 CE LYS A 72 17.227 1.002 -13.763 1.00 0.00 C ATOM 1123 NZ LYS A 72 17.395 0.157 -12.548 1.00 0.00 N ATOM 0 H LYS A 72 13.234 -0.375 -17.473 1.00 0.00 H new ATOM 0 HA LYS A 72 13.182 -1.087 -14.599 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.197 0.156 -15.744 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.125 1.543 -15.755 1.00 0.00 H new ATOM 0 HG2 LYS A 72 13.876 1.387 -13.297 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.914 -0.025 -13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.922 2.519 -14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 72 15.901 2.389 -12.796 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.228 0.368 -14.650 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.076 1.680 -13.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 18.404 -0.049 -12.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 17.024 0.664 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 16.874 -0.735 -12.670 1.00 0.00 H new ATOM 1137 N LYS A 73 11.085 0.133 -14.169 1.00 0.00 N ATOM 1138 CA LYS A 73 9.826 0.816 -13.892 1.00 0.00 C ATOM 1139 C LYS A 73 10.076 2.213 -13.333 1.00 0.00 C ATOM 1140 O LYS A 73 11.070 2.448 -12.645 1.00 0.00 O ATOM 1141 CB LYS A 73 8.988 0.002 -12.903 1.00 0.00 C ATOM 1142 CG LYS A 73 8.391 -1.259 -13.505 1.00 0.00 C ATOM 1143 CD LYS A 73 8.126 -2.312 -12.442 1.00 0.00 C ATOM 1144 CE LYS A 73 9.420 -2.924 -11.928 1.00 0.00 C ATOM 1145 NZ LYS A 73 9.820 -4.121 -12.719 1.00 0.00 N ATOM 0 H LYS A 73 11.319 -0.605 -13.505 1.00 0.00 H new ATOM 0 HA LYS A 73 9.279 0.912 -14.830 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.611 -0.272 -12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.182 0.629 -12.521 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.460 -1.014 -14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.070 -1.662 -14.256 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.580 -1.863 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.491 -3.096 -12.855 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.215 -2.180 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 73 9.299 -3.204 -10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.706 -4.509 -12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.073 -4.842 -12.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.961 -3.849 -13.713 1.00 0.00 H new ATOM 1159 N TYR A 74 9.169 3.136 -13.632 1.00 0.00 N ATOM 1160 CA TYR A 74 9.292 4.510 -13.160 1.00 0.00 C ATOM 1161 C TYR A 74 7.950 5.037 -12.661 1.00 0.00 C ATOM 1162 O TYR A 74 6.936 4.342 -12.722 1.00 0.00 O ATOM 1163 CB TYR A 74 9.823 5.409 -14.277 1.00 0.00 C ATOM 1164 CG TYR A 74 11.332 5.441 -14.364 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.051 4.304 -14.712 1.00 0.00 C ATOM 1166 CD2 TYR A 74 12.039 6.607 -14.098 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.430 4.327 -14.792 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.418 6.640 -14.177 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.109 5.498 -14.524 1.00 0.00 C ATOM 1170 OH TYR A 74 15.482 5.527 -14.603 1.00 0.00 O ATOM 0 H TYR A 74 8.340 2.958 -14.199 1.00 0.00 H new ATOM 0 HA TYR A 74 9.997 4.520 -12.329 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.420 5.066 -15.230 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.455 6.423 -14.121 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.523 3.386 -14.924 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.501 7.503 -13.825 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.973 3.434 -15.063 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.952 7.555 -13.968 1.00 0.00 H new ATOM 0 HH TYR A 74 15.786 4.867 -15.261 1.00 0.00 H new ATOM 1180 N SER A 75 7.953 6.271 -12.168 1.00 0.00 N ATOM 1181 CA SER A 75 6.737 6.892 -11.656 1.00 0.00 C ATOM 1182 C SER A 75 6.220 7.953 -12.623 1.00 0.00 C ATOM 1183 O SER A 75 5.046 7.950 -12.994 1.00 0.00 O ATOM 1184 CB SER A 75 6.999 7.520 -10.285 1.00 0.00 C ATOM 1185 OG SER A 75 7.252 6.525 -9.308 1.00 0.00 O ATOM 0 H SER A 75 8.784 6.861 -12.112 1.00 0.00 H new ATOM 0 HA SER A 75 5.977 6.117 -11.554 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.851 8.197 -10.348 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.139 8.118 -9.985 1.00 0.00 H new ATOM 0 HG SER A 75 7.418 6.952 -8.442 1.00 0.00 H new ATOM 1191 N ASP A 76 7.104 8.858 -13.027 1.00 0.00 N ATOM 1192 CA ASP A 76 6.739 9.925 -13.951 1.00 0.00 C ATOM 1193 C ASP A 76 7.296 9.651 -15.345 1.00 0.00 C ATOM 1194 O ASP A 76 8.499 9.774 -15.579 1.00 0.00 O ATOM 1195 CB ASP A 76 7.252 11.271 -13.439 1.00 0.00 C ATOM 1196 CG ASP A 76 6.314 12.414 -13.775 1.00 0.00 C ATOM 1197 OD1 ASP A 76 5.085 12.224 -13.665 1.00 0.00 O ATOM 1198 OD2 ASP A 76 6.809 13.498 -14.149 1.00 0.00 O ATOM 0 H ASP A 76 8.079 8.874 -12.729 1.00 0.00 H new ATOM 0 HA ASP A 76 5.651 9.960 -14.014 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.384 11.219 -12.358 1.00 0.00 H new ATOM 0 HB3 ASP A 76 8.233 11.471 -13.871 1.00 0.00 H new ATOM 1203 N VAL A 77 6.415 9.277 -16.267 1.00 0.00 N ATOM 1204 CA VAL A 77 6.819 8.986 -17.637 1.00 0.00 C ATOM 1205 C VAL A 77 7.790 10.038 -18.159 1.00 0.00 C ATOM 1206 O VAL A 77 8.694 9.733 -18.937 1.00 0.00 O ATOM 1207 CB VAL A 77 5.601 8.914 -18.578 1.00 0.00 C ATOM 1208 CG1 VAL A 77 4.981 10.292 -18.754 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.001 8.324 -19.922 1.00 0.00 C ATOM 0 H VAL A 77 5.416 9.168 -16.090 1.00 0.00 H new ATOM 0 HA VAL A 77 7.314 8.015 -17.622 1.00 0.00 H new ATOM 0 HB VAL A 77 4.853 8.260 -18.128 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.122 10.222 -19.422 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.657 10.672 -17.785 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.719 10.971 -19.182 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.129 8.280 -20.574 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.766 8.950 -20.381 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.395 7.318 -19.775 1.00 0.00 H new ATOM 1219 N LYS A 78 7.598 11.279 -17.726 1.00 0.00 N ATOM 1220 CA LYS A 78 8.457 12.379 -18.148 1.00 0.00 C ATOM 1221 C LYS A 78 9.916 12.092 -17.805 1.00 0.00 C ATOM 1222 O LYS A 78 10.787 12.137 -18.672 1.00 0.00 O ATOM 1223 CB LYS A 78 8.014 13.684 -17.483 1.00 0.00 C ATOM 1224 CG LYS A 78 6.737 14.262 -18.070 1.00 0.00 C ATOM 1225 CD LYS A 78 7.026 15.146 -19.271 1.00 0.00 C ATOM 1226 CE LYS A 78 5.752 15.489 -20.030 1.00 0.00 C ATOM 1227 NZ LYS A 78 6.014 15.719 -21.477 1.00 0.00 N ATOM 0 H LYS A 78 6.854 11.549 -17.082 1.00 0.00 H new ATOM 0 HA LYS A 78 8.369 12.481 -19.230 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.867 13.508 -16.417 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.813 14.420 -17.577 1.00 0.00 H new ATOM 0 HG2 LYS A 78 6.072 13.451 -18.366 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.215 14.841 -17.308 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.512 16.064 -18.940 1.00 0.00 H new ATOM 0 HD3 LYS A 78 7.723 14.639 -19.938 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.032 14.679 -19.916 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.300 16.381 -19.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 5.122 15.950 -21.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.682 16.509 -21.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.422 14.859 -21.897 1.00 0.00 H new ATOM 1241 N ASN A 79 10.173 11.796 -16.535 1.00 0.00 N ATOM 1242 CA ASN A 79 11.526 11.501 -16.078 1.00 0.00 C ATOM 1243 C ASN A 79 12.085 10.273 -16.791 1.00 0.00 C ATOM 1244 O ASN A 79 13.288 10.181 -17.041 1.00 0.00 O ATOM 1245 CB ASN A 79 11.538 11.274 -14.565 1.00 0.00 C ATOM 1246 CG ASN A 79 11.582 12.575 -13.786 1.00 0.00 C ATOM 1247 OD1 ASN A 79 12.590 12.903 -13.160 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.486 13.323 -13.821 1.00 0.00 N ATOM 0 H ASN A 79 9.462 11.754 -15.804 1.00 0.00 H new ATOM 0 HA ASN A 79 12.157 12.357 -16.316 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.650 10.711 -14.278 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.402 10.665 -14.298 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.457 14.209 -13.316 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.673 13.012 -14.353 1.00 0.00 H new ATOM 1255 N LEU A 80 11.205 9.333 -17.117 1.00 0.00 N ATOM 1256 CA LEU A 80 11.610 8.111 -17.802 1.00 0.00 C ATOM 1257 C LEU A 80 12.258 8.429 -19.146 1.00 0.00 C ATOM 1258 O LEU A 80 13.252 7.812 -19.529 1.00 0.00 O ATOM 1259 CB LEU A 80 10.402 7.195 -18.010 1.00 0.00 C ATOM 1260 CG LEU A 80 10.653 5.929 -18.829 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.670 5.037 -18.136 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.350 5.176 -19.060 1.00 0.00 C ATOM 0 H LEU A 80 10.206 9.394 -16.918 1.00 0.00 H new ATOM 0 HA LEU A 80 12.343 7.600 -17.178 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.021 6.901 -17.032 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.615 7.770 -18.499 1.00 0.00 H new ATOM 0 HG LEU A 80 11.058 6.221 -19.798 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.835 4.141 -18.734 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.610 5.577 -18.023 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.295 4.753 -17.153 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.548 4.278 -19.645 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.916 4.896 -18.100 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.652 5.815 -19.601 1.00 0.00 H new ATOM 1274 N ILE A 81 11.689 9.397 -19.857 1.00 0.00 N ATOM 1275 CA ILE A 81 12.213 9.799 -21.156 1.00 0.00 C ATOM 1276 C ILE A 81 13.660 10.265 -21.045 1.00 0.00 C ATOM 1277 O ILE A 81 14.530 9.810 -21.788 1.00 0.00 O ATOM 1278 CB ILE A 81 11.369 10.927 -21.779 1.00 0.00 C ATOM 1279 CG1 ILE A 81 9.891 10.530 -21.810 1.00 0.00 C ATOM 1280 CG2 ILE A 81 11.866 11.249 -23.180 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.636 9.203 -22.489 1.00 0.00 C ATOM 0 H ILE A 81 10.865 9.917 -19.555 1.00 0.00 H new ATOM 0 HA ILE A 81 12.165 8.921 -21.801 1.00 0.00 H new ATOM 0 HB ILE A 81 11.473 11.821 -21.164 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.514 10.485 -20.788 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.325 11.307 -22.324 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.259 12.048 -23.607 1.00 0.00 H new ATOM 0 HG22 ILE A 81 12.907 11.570 -23.132 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.789 10.361 -23.807 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.568 8.986 -22.474 1.00 0.00 H new ATOM 0 HD12 ILE A 81 9.982 9.250 -23.521 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.174 8.415 -21.962 1.00 0.00 H new ATOM 1293 N LYS A 82 13.913 11.175 -20.110 1.00 0.00 N ATOM 1294 CA LYS A 82 15.256 11.701 -19.897 1.00 0.00 C ATOM 1295 C LYS A 82 16.223 10.586 -19.515 1.00 0.00 C ATOM 1296 O LYS A 82 17.369 10.562 -19.967 1.00 0.00 O ATOM 1297 CB LYS A 82 15.239 12.773 -18.804 1.00 0.00 C ATOM 1298 CG LYS A 82 16.244 13.889 -19.030 1.00 0.00 C ATOM 1299 CD LYS A 82 15.603 15.086 -19.711 1.00 0.00 C ATOM 1300 CE LYS A 82 15.693 14.980 -21.226 1.00 0.00 C ATOM 1301 NZ LYS A 82 14.798 15.958 -21.905 1.00 0.00 N ATOM 0 H LYS A 82 13.205 11.564 -19.487 1.00 0.00 H new ATOM 0 HA LYS A 82 15.596 12.148 -20.831 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.239 13.203 -18.744 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.442 12.302 -17.842 1.00 0.00 H new ATOM 0 HG2 LYS A 82 16.668 14.197 -18.074 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.068 13.520 -19.641 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.557 15.159 -19.412 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.094 16.001 -19.379 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.722 15.150 -21.541 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.428 13.969 -21.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.888 15.854 -22.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.813 15.780 -21.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.067 16.924 -21.630 1.00 0.00 H new ATOM 1315 N HIS A 83 15.756 9.662 -18.681 1.00 0.00 N ATOM 1316 CA HIS A 83 16.580 8.542 -18.240 1.00 0.00 C ATOM 1317 C HIS A 83 17.257 7.865 -19.428 1.00 0.00 C ATOM 1318 O HIS A 83 18.458 7.598 -19.400 1.00 0.00 O ATOM 1319 CB HIS A 83 15.730 7.527 -17.476 1.00 0.00 C ATOM 1320 CG HIS A 83 16.229 6.120 -17.593 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.378 5.675 -16.974 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.727 5.055 -18.261 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.563 4.398 -17.258 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.574 3.997 -18.037 1.00 0.00 N ATOM 0 H HIS A 83 14.811 9.667 -18.297 1.00 0.00 H new ATOM 0 HA HIS A 83 17.353 8.930 -17.577 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.702 7.808 -16.423 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.705 7.572 -17.845 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.828 5.040 -18.859 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.383 3.786 -16.912 1.00 0.00 H new ATOM 0 HE2 HIS A 83 16.458 3.055 -18.411 1.00 0.00 H new ATOM 1332 N ILE A 84 16.478 7.591 -20.469 1.00 0.00 N ATOM 1333 CA ILE A 84 17.003 6.946 -21.666 1.00 0.00 C ATOM 1334 C ILE A 84 17.973 7.862 -22.404 1.00 0.00 C ATOM 1335 O ILE A 84 18.962 7.403 -22.977 1.00 0.00 O ATOM 1336 CB ILE A 84 15.871 6.535 -22.627 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.918 5.557 -21.938 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.448 5.919 -23.893 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.503 5.617 -22.470 1.00 0.00 C ATOM 0 H ILE A 84 15.482 7.806 -20.508 1.00 0.00 H new ATOM 0 HA ILE A 84 17.531 6.052 -21.336 1.00 0.00 H new ATOM 0 HB ILE A 84 15.308 7.426 -22.905 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.300 4.543 -22.059 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.905 5.767 -20.869 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.636 5.634 -24.562 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.090 6.645 -24.391 1.00 0.00 H new ATOM 0 HG23 ILE A 84 17.032 5.036 -23.634 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.883 4.897 -21.936 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.102 6.620 -22.325 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.504 5.377 -23.533 1.00 0.00 H new ATOM 1351 N ARG A 85 17.686 9.159 -22.383 1.00 0.00 N ATOM 1352 CA ARG A 85 18.534 10.140 -23.049 1.00 0.00 C ATOM 1353 C ARG A 85 19.854 10.313 -22.304 1.00 0.00 C ATOM 1354 O ARG A 85 20.856 10.732 -22.885 1.00 0.00 O ATOM 1355 CB ARG A 85 17.812 11.485 -23.149 1.00 0.00 C ATOM 1356 CG ARG A 85 16.393 11.377 -23.683 1.00 0.00 C ATOM 1357 CD ARG A 85 16.353 11.542 -25.194 1.00 0.00 C ATOM 1358 NE ARG A 85 14.998 11.414 -25.723 1.00 0.00 N ATOM 1359 CZ ARG A 85 14.706 11.469 -27.018 1.00 0.00 C ATOM 1360 NH1 ARG A 85 15.669 11.650 -27.911 1.00 0.00 N ATOM 1361 NH2 ARG A 85 13.448 11.344 -27.421 1.00 0.00 N ATOM 0 H ARG A 85 16.873 9.555 -21.912 1.00 0.00 H new ATOM 0 HA ARG A 85 18.749 9.775 -24.053 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.786 11.948 -22.162 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.385 12.148 -23.797 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.973 10.409 -23.410 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.768 12.138 -23.216 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.756 12.518 -25.463 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.995 10.793 -25.658 1.00 0.00 H new ATOM 0 HE ARG A 85 14.234 11.275 -25.062 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.637 11.747 -27.605 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.442 11.692 -28.905 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.705 11.206 -26.736 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.224 11.386 -28.415 1.00 0.00 H new ATOM 1375 N ASP A 86 19.847 9.989 -21.016 1.00 0.00 N ATOM 1376 CA ASP A 86 21.044 10.107 -20.191 1.00 0.00 C ATOM 1377 C ASP A 86 21.790 8.779 -20.122 1.00 0.00 C ATOM 1378 O ASP A 86 22.941 8.679 -20.548 1.00 0.00 O ATOM 1379 CB ASP A 86 20.674 10.572 -18.782 1.00 0.00 C ATOM 1380 CG ASP A 86 20.360 12.055 -18.725 1.00 0.00 C ATOM 1381 OD1 ASP A 86 21.087 12.840 -19.369 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.387 12.429 -18.038 1.00 0.00 O ATOM 0 H ASP A 86 19.026 9.642 -20.520 1.00 0.00 H new ATOM 0 HA ASP A 86 21.699 10.847 -20.649 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.810 10.007 -18.431 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.497 10.351 -18.102 1.00 0.00 H new ATOM 1387 N ALA A 87 21.128 7.761 -19.582 1.00 0.00 N ATOM 1388 CA ALA A 87 21.728 6.439 -19.458 1.00 0.00 C ATOM 1389 C ALA A 87 21.845 5.759 -20.818 1.00 0.00 C ATOM 1390 O ALA A 87 22.919 5.293 -21.200 1.00 0.00 O ATOM 1391 CB ALA A 87 20.914 5.577 -18.504 1.00 0.00 C ATOM 0 H ALA A 87 20.175 7.827 -19.223 1.00 0.00 H new ATOM 0 HA ALA A 87 22.733 6.560 -19.054 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.374 4.592 -18.421 1.00 0.00 H new ATOM 0 HB2 ALA A 87 20.886 6.048 -17.522 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.898 5.472 -18.885 1.00 0.00 H new ATOM 1397 N HIS A 88 20.734 5.705 -21.545 1.00 0.00 N ATOM 1398 CA HIS A 88 20.712 5.082 -22.864 1.00 0.00 C ATOM 1399 C HIS A 88 20.927 6.121 -23.960 1.00 0.00 C ATOM 1400 O HIS A 88 20.347 6.026 -25.041 1.00 0.00 O ATOM 1401 CB HIS A 88 19.385 4.356 -23.086 1.00 0.00 C ATOM 1402 CG HIS A 88 19.016 3.426 -21.972 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.845 2.417 -21.529 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.901 3.357 -21.209 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.255 1.767 -20.542 1.00 0.00 C ATOM 1406 NE2 HIS A 88 18.074 2.317 -20.328 1.00 0.00 N ATOM 0 H HIS A 88 19.837 6.085 -21.243 1.00 0.00 H new ATOM 0 HA HIS A 88 21.526 4.358 -22.910 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.593 5.094 -23.209 1.00 0.00 H new ATOM 0 HB3 HIS A 88 19.441 3.791 -24.016 1.00 0.00 H new ATOM 0 HD2 HIS A 88 17.036 4.000 -21.279 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.668 0.928 -20.002 1.00 0.00 H new ATOM 0 HE2 HIS A 88 17.400 2.018 -19.623 1.00 0.00 H new ATOM 1414 N ASP A 89 21.764 7.112 -23.672 1.00 0.00 N ATOM 1415 CA ASP A 89 22.056 8.170 -24.633 1.00 0.00 C ATOM 1416 C ASP A 89 22.740 7.603 -25.873 1.00 0.00 C ATOM 1417 O ASP A 89 23.879 7.137 -25.826 1.00 0.00 O ATOM 1418 CB ASP A 89 22.940 9.241 -23.992 1.00 0.00 C ATOM 1419 CG ASP A 89 24.403 8.846 -23.968 1.00 0.00 C ATOM 1420 OD1 ASP A 89 24.723 7.788 -23.385 1.00 0.00 O ATOM 1421 OD2 ASP A 89 25.228 9.593 -24.533 1.00 0.00 O ATOM 0 H ASP A 89 22.252 7.205 -22.781 1.00 0.00 H new ATOM 0 HA ASP A 89 21.112 8.623 -24.936 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.828 10.176 -24.541 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.600 9.426 -22.973 1.00 0.00 H new