USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=26 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 170:sc= -0.658 USER MOD Set 1.2: A 70 CYS SG : rot -93:sc= -1.25! USER MOD Set 1.3: A 74 TYR OH : rot 174:sc= -0.865 USER MOD Set 1.4: A 83 HIS : no HE2:sc= 0.271 K(o=-3.9,f=-7.6) USER MOD Set 1.5: A 88 HIS : no HE2:sc= -1.4 K(o=-3.9,f=-10!) USER MOD Set 2.1: A 46 CYS SG : rot 153:sc= -0.368 USER MOD Set 2.2: A 51 HIS : no HE2:sc= -0.18 K(o=-0.55,f=-2.6) USER MOD Set 3.1: A 39 CYS SG : rot 176:sc= -1.35 USER MOD Set 3.2: A 42 CYS SG : rot -41:sc= -1.67 USER MOD Set 3.3: A 55 HIS : no HE2:sc= -1.95 K(o=-5.3,f=-7.2) USER MOD Set 3.4: A 60 HIS : no HD1:sc= -0.285 K(o=-5.3,f=-8.7) USER MOD Set 4.1: A 12 CYS SG : rot -167:sc= 0.0738 USER MOD Set 4.2: A 15 CYS SG : rot 140:sc= -3.13! USER MOD Set 4.3: A 28 HIS : no HD1:sc= -17.7! C(o=-22!,f=-24!) USER MOD Set 4.4: A 31 LYS NZ :NH3+ -131:sc= -1.5! (180deg=0) USER MOD Set 4.5: A 32 HIS : no HE2:sc= 0.0795 K(o=-22,f=-24) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -119:sc= -0.118 (180deg=-2.74!) USER MOD Single : A 14 GLN : amide:sc= -2.3 K(o=-2.3,f=-4.4!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 150:sc= -0.718 USER MOD Single : A 19 SER OG : rot -79:sc= 0.606! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.6) USER MOD Single : A 26 ASN : amide:sc= -2.77! K(o=-2.8!,f=-1.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 38:sc= 1.27 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.714 K(o=-0.71,f=-2.5!) USER MOD Single : A 66 HIS : no HD1:sc= -0.967 X(o=-0.97,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 140:sc= -0.629 (180deg=-2.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -177:sc= 0 (180deg=-0.00457) USER MOD Single : A 79 ASN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -35.184 11.350 -13.249 1.00 0.00 N ATOM 67 CA LYS A 8 -34.664 12.562 -13.870 1.00 0.00 C ATOM 68 C LYS A 8 -35.615 13.071 -14.949 1.00 0.00 C ATOM 69 O LYS A 8 -35.702 12.518 -16.045 1.00 0.00 O ATOM 70 CB LYS A 8 -33.284 12.299 -14.475 1.00 0.00 C ATOM 71 CG LYS A 8 -32.301 11.674 -13.500 1.00 0.00 C ATOM 72 CD LYS A 8 -32.405 10.159 -13.498 1.00 0.00 C ATOM 73 CE LYS A 8 -31.536 9.542 -12.412 1.00 0.00 C ATOM 74 NZ LYS A 8 -30.087 9.638 -12.741 1.00 0.00 N ATOM 0 HA LYS A 8 -34.575 13.326 -13.098 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -33.394 11.642 -15.338 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -32.872 13.239 -14.841 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -31.286 11.970 -13.766 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -32.491 12.054 -12.496 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -33.443 9.865 -13.346 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -32.103 9.771 -14.471 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -31.727 10.045 -11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -31.810 8.495 -12.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -29.528 9.207 -11.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -29.899 9.137 -13.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -29.820 10.638 -12.843 1.00 0.00 H new ATOM 88 N PRO A 9 -36.345 14.152 -14.633 1.00 0.00 N ATOM 89 CA PRO A 9 -37.301 14.760 -15.563 1.00 0.00 C ATOM 90 C PRO A 9 -36.611 15.448 -16.737 1.00 0.00 C ATOM 91 O PRO A 9 -37.024 15.297 -17.887 1.00 0.00 O ATOM 92 CB PRO A 9 -38.033 15.788 -14.697 1.00 0.00 C ATOM 93 CG PRO A 9 -37.071 16.122 -13.610 1.00 0.00 C ATOM 94 CD PRO A 9 -36.293 14.863 -13.345 1.00 0.00 C ATOM 0 HA PRO A 9 -37.958 14.017 -16.015 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -38.301 16.673 -15.274 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -38.959 15.378 -14.294 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -36.409 16.934 -13.911 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -37.595 16.453 -12.713 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -35.267 15.080 -13.047 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -36.740 14.275 -12.543 1.00 0.00 H new ATOM 102 N TYR A 10 -35.559 16.201 -16.439 1.00 0.00 N ATOM 103 CA TYR A 10 -34.812 16.913 -17.470 1.00 0.00 C ATOM 104 C TYR A 10 -34.233 15.941 -18.493 1.00 0.00 C ATOM 105 O TYR A 10 -33.217 15.292 -18.244 1.00 0.00 O ATOM 106 CB TYR A 10 -33.688 17.737 -16.838 1.00 0.00 C ATOM 107 CG TYR A 10 -34.078 18.391 -15.532 1.00 0.00 C ATOM 108 CD1 TYR A 10 -35.412 18.599 -15.207 1.00 0.00 C ATOM 109 CD2 TYR A 10 -33.110 18.799 -14.622 1.00 0.00 C ATOM 110 CE1 TYR A 10 -35.772 19.197 -14.014 1.00 0.00 C ATOM 111 CE2 TYR A 10 -33.461 19.397 -13.427 1.00 0.00 C ATOM 112 CZ TYR A 10 -34.793 19.594 -13.128 1.00 0.00 C ATOM 113 OH TYR A 10 -35.147 20.189 -11.938 1.00 0.00 O ATOM 0 H TYR A 10 -35.204 16.335 -15.492 1.00 0.00 H new ATOM 0 HA TYR A 10 -35.500 17.584 -17.984 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -32.827 17.091 -16.668 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -33.374 18.508 -17.542 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -36.181 18.288 -15.898 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -32.066 18.646 -14.853 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -36.814 19.352 -13.777 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -32.696 19.709 -12.731 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.339 20.407 -11.428 1.00 0.00 H new ATOM 123 N LYS A 11 -34.887 15.846 -19.645 1.00 0.00 N ATOM 124 CA LYS A 11 -34.438 14.956 -20.709 1.00 0.00 C ATOM 125 C LYS A 11 -33.559 15.701 -21.708 1.00 0.00 C ATOM 126 O LYS A 11 -33.711 16.907 -21.905 1.00 0.00 O ATOM 127 CB LYS A 11 -35.640 14.342 -21.430 1.00 0.00 C ATOM 128 CG LYS A 11 -36.810 14.037 -20.510 1.00 0.00 C ATOM 129 CD LYS A 11 -36.432 13.021 -19.446 1.00 0.00 C ATOM 130 CE LYS A 11 -36.721 11.599 -19.904 1.00 0.00 C ATOM 131 NZ LYS A 11 -35.579 11.018 -20.663 1.00 0.00 N ATOM 0 H LYS A 11 -35.731 16.375 -19.866 1.00 0.00 H new ATOM 0 HA LYS A 11 -33.848 14.159 -20.256 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -35.972 15.025 -22.212 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -35.326 13.422 -21.923 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -37.148 14.957 -20.032 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -37.646 13.657 -21.097 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -35.373 13.119 -19.208 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -36.985 13.229 -18.530 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -36.936 10.975 -19.037 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -37.613 11.593 -20.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -35.888 10.781 -21.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -34.804 11.710 -20.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -35.247 10.156 -20.185 1.00 0.00 H new ATOM 145 N CYS A 12 -32.640 14.976 -22.338 1.00 0.00 N ATOM 146 CA CYS A 12 -31.737 15.568 -23.317 1.00 0.00 C ATOM 147 C CYS A 12 -32.414 15.685 -24.680 1.00 0.00 C ATOM 148 O CYS A 12 -32.914 14.708 -25.239 1.00 0.00 O ATOM 149 CB CYS A 12 -30.463 14.730 -23.439 1.00 0.00 C ATOM 150 SG CYS A 12 -29.219 15.429 -24.572 1.00 0.00 S ATOM 0 H CYS A 12 -32.501 13.977 -22.187 1.00 0.00 H new ATOM 0 HA CYS A 12 -31.474 16.569 -22.974 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -30.017 14.620 -22.450 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -30.730 13.730 -23.782 1.00 0.00 H new ATOM 0 HG CYS A 12 -28.304 14.538 -24.814 1.00 0.00 H new ATOM 155 N PRO A 13 -32.432 16.909 -25.229 1.00 0.00 N ATOM 156 CA PRO A 13 -33.043 17.183 -26.532 1.00 0.00 C ATOM 157 C PRO A 13 -32.253 16.571 -27.684 1.00 0.00 C ATOM 158 O PRO A 13 -32.643 16.685 -28.845 1.00 0.00 O ATOM 159 CB PRO A 13 -33.021 18.711 -26.620 1.00 0.00 C ATOM 160 CG PRO A 13 -31.895 19.125 -25.736 1.00 0.00 C ATOM 161 CD PRO A 13 -31.856 18.119 -24.619 1.00 0.00 C ATOM 0 HA PRO A 13 -34.041 16.752 -26.612 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -32.863 19.046 -27.645 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -33.965 19.140 -26.286 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -30.953 19.137 -26.284 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -32.052 20.132 -25.349 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -30.838 17.947 -24.269 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -32.437 18.451 -23.759 1.00 0.00 H new ATOM 169 N GLN A 14 -31.141 15.923 -27.353 1.00 0.00 N ATOM 170 CA GLN A 14 -30.296 15.293 -28.361 1.00 0.00 C ATOM 171 C GLN A 14 -30.385 13.773 -28.274 1.00 0.00 C ATOM 172 O GLN A 14 -30.309 13.077 -29.287 1.00 0.00 O ATOM 173 CB GLN A 14 -28.843 15.742 -28.192 1.00 0.00 C ATOM 174 CG GLN A 14 -28.647 17.241 -28.348 1.00 0.00 C ATOM 175 CD GLN A 14 -27.265 17.599 -28.856 1.00 0.00 C ATOM 176 OE1 GLN A 14 -26.625 16.813 -29.556 1.00 0.00 O ATOM 177 NE2 GLN A 14 -26.795 18.791 -28.506 1.00 0.00 N ATOM 0 H GLN A 14 -30.804 15.820 -26.396 1.00 0.00 H new ATOM 0 HA GLN A 14 -30.653 15.603 -29.343 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -28.490 15.439 -27.206 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -28.224 15.225 -28.925 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -29.396 17.632 -29.037 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -28.814 17.727 -27.387 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -27.359 19.411 -27.925 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -25.870 19.086 -28.819 1.00 0.00 H new ATOM 186 N CYS A 15 -30.546 13.264 -27.057 1.00 0.00 N ATOM 187 CA CYS A 15 -30.644 11.826 -26.837 1.00 0.00 C ATOM 188 C CYS A 15 -31.681 11.510 -25.762 1.00 0.00 C ATOM 189 O CYS A 15 -32.370 12.403 -25.269 1.00 0.00 O ATOM 190 CB CYS A 15 -29.283 11.257 -26.431 1.00 0.00 C ATOM 191 SG CYS A 15 -28.800 11.637 -24.716 1.00 0.00 S ATOM 0 H CYS A 15 -30.611 13.826 -26.208 1.00 0.00 H new ATOM 0 HA CYS A 15 -30.961 11.361 -27.771 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -29.300 10.175 -26.561 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -28.522 11.647 -27.107 1.00 0.00 H new ATOM 0 HG CYS A 15 -28.233 10.595 -24.184 1.00 0.00 H new ATOM 196 N SER A 16 -31.785 10.234 -25.405 1.00 0.00 N ATOM 197 CA SER A 16 -32.739 9.800 -24.392 1.00 0.00 C ATOM 198 C SER A 16 -32.138 9.914 -22.994 1.00 0.00 C ATOM 199 O SER A 16 -32.467 9.135 -22.099 1.00 0.00 O ATOM 200 CB SER A 16 -33.174 8.357 -24.656 1.00 0.00 C ATOM 201 OG SER A 16 -32.053 7.497 -24.759 1.00 0.00 O ATOM 0 H SER A 16 -31.220 9.483 -25.802 1.00 0.00 H new ATOM 0 HA SER A 16 -33.611 10.451 -24.448 1.00 0.00 H new ATOM 0 HB2 SER A 16 -33.824 8.017 -23.850 1.00 0.00 H new ATOM 0 HB3 SER A 16 -33.756 8.312 -25.576 1.00 0.00 H new ATOM 0 HG SER A 16 -32.358 6.581 -24.926 1.00 0.00 H new ATOM 207 N TYR A 17 -31.254 10.889 -22.815 1.00 0.00 N ATOM 208 CA TYR A 17 -30.604 11.105 -21.528 1.00 0.00 C ATOM 209 C TYR A 17 -31.508 11.895 -20.587 1.00 0.00 C ATOM 210 O TYR A 17 -32.395 12.625 -21.027 1.00 0.00 O ATOM 211 CB TYR A 17 -29.278 11.844 -21.721 1.00 0.00 C ATOM 212 CG TYR A 17 -28.654 12.315 -20.426 1.00 0.00 C ATOM 213 CD1 TYR A 17 -27.937 11.440 -19.620 1.00 0.00 C ATOM 214 CD2 TYR A 17 -28.784 13.634 -20.009 1.00 0.00 C ATOM 215 CE1 TYR A 17 -27.365 11.866 -18.436 1.00 0.00 C ATOM 216 CE2 TYR A 17 -28.215 14.068 -18.828 1.00 0.00 C ATOM 217 CZ TYR A 17 -27.507 13.181 -18.045 1.00 0.00 C ATOM 218 OH TYR A 17 -26.940 13.610 -16.867 1.00 0.00 O ATOM 0 H TYR A 17 -30.971 11.543 -23.545 1.00 0.00 H new ATOM 0 HA TYR A 17 -30.408 10.131 -21.080 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -28.577 11.187 -22.235 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -29.442 12.704 -22.370 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -27.825 10.410 -19.923 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -29.339 14.331 -20.619 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -26.810 11.173 -17.821 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -28.324 15.097 -18.519 1.00 0.00 H new ATOM 0 HH TYR A 17 -26.701 14.557 -16.945 1.00 0.00 H new ATOM 228 N ALA A 18 -31.274 11.743 -19.287 1.00 0.00 N ATOM 229 CA ALA A 18 -32.064 12.444 -18.282 1.00 0.00 C ATOM 230 C ALA A 18 -31.211 12.814 -17.073 1.00 0.00 C ATOM 231 O ALA A 18 -30.262 12.108 -16.732 1.00 0.00 O ATOM 232 CB ALA A 18 -33.249 11.591 -17.854 1.00 0.00 C ATOM 0 H ALA A 18 -30.544 11.141 -18.906 1.00 0.00 H new ATOM 0 HA ALA A 18 -32.436 13.367 -18.726 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -33.830 12.126 -17.103 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -33.878 11.382 -18.719 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -32.888 10.653 -17.432 1.00 0.00 H new ATOM 238 N SER A 19 -31.555 13.924 -16.430 1.00 0.00 N ATOM 239 CA SER A 19 -30.818 14.390 -15.261 1.00 0.00 C ATOM 240 C SER A 19 -31.698 15.270 -14.379 1.00 0.00 C ATOM 241 O SER A 19 -32.173 16.321 -14.808 1.00 0.00 O ATOM 242 CB SER A 19 -29.573 15.166 -15.694 1.00 0.00 C ATOM 243 OG SER A 19 -29.762 15.768 -16.963 1.00 0.00 O ATOM 0 H SER A 19 -32.340 14.518 -16.698 1.00 0.00 H new ATOM 0 HA SER A 19 -30.512 13.518 -14.683 1.00 0.00 H new ATOM 0 HB2 SER A 19 -29.344 15.933 -14.955 1.00 0.00 H new ATOM 0 HB3 SER A 19 -28.716 14.493 -15.731 1.00 0.00 H new ATOM 0 HG SER A 19 -29.639 15.096 -17.666 1.00 0.00 H new ATOM 249 N ALA A 20 -31.912 14.831 -13.143 1.00 0.00 N ATOM 250 CA ALA A 20 -32.734 15.578 -12.198 1.00 0.00 C ATOM 251 C ALA A 20 -31.953 16.739 -11.590 1.00 0.00 C ATOM 252 O ALA A 20 -32.177 17.114 -10.439 1.00 0.00 O ATOM 253 CB ALA A 20 -33.250 14.656 -11.104 1.00 0.00 C ATOM 0 H ALA A 20 -31.528 13.962 -12.772 1.00 0.00 H new ATOM 0 HA ALA A 20 -33.584 15.991 -12.741 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -33.862 15.227 -10.406 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -33.851 13.864 -11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -32.407 14.216 -10.572 1.00 0.00 H new ATOM 259 N ILE A 21 -31.036 17.301 -12.370 1.00 0.00 N ATOM 260 CA ILE A 21 -30.223 18.419 -11.907 1.00 0.00 C ATOM 261 C ILE A 21 -29.773 19.292 -13.074 1.00 0.00 C ATOM 262 O ILE A 21 -28.881 18.918 -13.836 1.00 0.00 O ATOM 263 CB ILE A 21 -28.981 17.932 -11.137 1.00 0.00 C ATOM 264 CG1 ILE A 21 -29.395 16.995 -10.000 1.00 0.00 C ATOM 265 CG2 ILE A 21 -28.195 19.116 -10.596 1.00 0.00 C ATOM 266 CD1 ILE A 21 -28.224 16.342 -9.299 1.00 0.00 C ATOM 0 H ILE A 21 -30.837 17.001 -13.324 1.00 0.00 H new ATOM 0 HA ILE A 21 -30.849 19.007 -11.236 1.00 0.00 H new ATOM 0 HB ILE A 21 -28.339 17.379 -11.823 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -29.977 17.557 -9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -30.048 16.219 -10.399 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -27.321 18.755 -10.054 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -27.874 19.748 -11.424 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -28.826 19.694 -9.921 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -28.592 15.692 -8.505 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -27.654 15.752 -10.016 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -27.582 17.111 -8.870 1.00 0.00 H new ATOM 278 N LYS A 22 -30.396 20.458 -13.208 1.00 0.00 N ATOM 279 CA LYS A 22 -30.059 21.387 -14.280 1.00 0.00 C ATOM 280 C LYS A 22 -28.571 21.323 -14.608 1.00 0.00 C ATOM 281 O LYS A 22 -28.188 21.105 -15.757 1.00 0.00 O ATOM 282 CB LYS A 22 -30.444 22.815 -13.885 1.00 0.00 C ATOM 283 CG LYS A 22 -30.433 23.055 -12.385 1.00 0.00 C ATOM 284 CD LYS A 22 -31.816 22.872 -11.781 1.00 0.00 C ATOM 285 CE LYS A 22 -31.735 22.466 -10.318 1.00 0.00 C ATOM 286 NZ LYS A 22 -31.311 23.599 -9.450 1.00 0.00 N ATOM 0 H LYS A 22 -31.137 20.782 -12.587 1.00 0.00 H new ATOM 0 HA LYS A 22 -30.621 21.098 -15.168 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -29.755 23.513 -14.361 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -31.439 23.034 -14.272 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -29.734 22.367 -11.911 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -30.076 24.064 -12.180 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -32.380 23.801 -11.871 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -32.361 22.112 -12.341 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -32.707 22.100 -9.988 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -31.031 21.641 -10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -31.268 23.281 -8.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -30.372 23.932 -9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -31.997 24.376 -9.534 1.00 0.00 H new ATOM 300 N ALA A 23 -27.737 21.513 -13.591 1.00 0.00 N ATOM 301 CA ALA A 23 -26.291 21.473 -13.771 1.00 0.00 C ATOM 302 C ALA A 23 -25.875 20.264 -14.602 1.00 0.00 C ATOM 303 O ALA A 23 -25.093 20.387 -15.544 1.00 0.00 O ATOM 304 CB ALA A 23 -25.591 21.454 -12.420 1.00 0.00 C ATOM 0 H ALA A 23 -28.038 21.696 -12.634 1.00 0.00 H new ATOM 0 HA ALA A 23 -25.992 22.372 -14.310 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -24.512 21.424 -12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -25.855 22.352 -11.861 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -25.904 20.573 -11.860 1.00 0.00 H new ATOM 310 N ASN A 24 -26.401 19.097 -14.246 1.00 0.00 N ATOM 311 CA ASN A 24 -26.083 17.866 -14.959 1.00 0.00 C ATOM 312 C ASN A 24 -26.382 18.006 -16.448 1.00 0.00 C ATOM 313 O ASN A 24 -25.476 17.969 -17.281 1.00 0.00 O ATOM 314 CB ASN A 24 -26.876 16.694 -14.375 1.00 0.00 C ATOM 315 CG ASN A 24 -26.273 16.173 -13.085 1.00 0.00 C ATOM 316 OD1 ASN A 24 -25.301 16.729 -12.572 1.00 0.00 O ATOM 317 ND2 ASN A 24 -26.847 15.100 -12.555 1.00 0.00 N ATOM 0 H ASN A 24 -27.050 18.978 -13.468 1.00 0.00 H new ATOM 0 HA ASN A 24 -25.017 17.671 -14.838 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -27.903 17.010 -14.191 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -26.917 15.886 -15.106 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -26.484 14.703 -11.688 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -27.651 14.672 -13.015 1.00 0.00 H new ATOM 324 N LEU A 25 -27.660 18.167 -16.776 1.00 0.00 N ATOM 325 CA LEU A 25 -28.080 18.313 -18.165 1.00 0.00 C ATOM 326 C LEU A 25 -27.122 19.220 -18.931 1.00 0.00 C ATOM 327 O LEU A 25 -26.827 18.980 -20.101 1.00 0.00 O ATOM 328 CB LEU A 25 -29.500 18.879 -18.232 1.00 0.00 C ATOM 329 CG LEU A 25 -30.182 18.820 -19.599 1.00 0.00 C ATOM 330 CD1 LEU A 25 -30.265 17.385 -20.093 1.00 0.00 C ATOM 331 CD2 LEU A 25 -31.569 19.443 -19.530 1.00 0.00 C ATOM 0 H LEU A 25 -28.422 18.200 -16.099 1.00 0.00 H new ATOM 0 HA LEU A 25 -28.066 17.327 -18.629 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -30.119 18.339 -17.516 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -29.471 19.919 -17.907 1.00 0.00 H new ATOM 0 HG LEU A 25 -29.583 19.392 -20.307 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -30.753 17.363 -21.067 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -29.260 16.972 -20.182 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -30.841 16.789 -19.385 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -32.040 19.392 -20.512 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -32.177 18.898 -18.807 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -31.485 20.485 -19.221 1.00 0.00 H new ATOM 343 N ASN A 26 -26.639 20.261 -18.262 1.00 0.00 N ATOM 344 CA ASN A 26 -25.713 21.204 -18.879 1.00 0.00 C ATOM 345 C ASN A 26 -24.392 20.522 -19.224 1.00 0.00 C ATOM 346 O ASN A 26 -23.882 20.659 -20.336 1.00 0.00 O ATOM 347 CB ASN A 26 -25.458 22.388 -17.945 1.00 0.00 C ATOM 348 CG ASN A 26 -26.676 23.280 -17.797 1.00 0.00 C ATOM 349 OD1 ASN A 26 -27.007 24.051 -18.698 1.00 0.00 O ATOM 350 ND2 ASN A 26 -27.349 23.178 -16.657 1.00 0.00 N ATOM 0 H ASN A 26 -26.873 20.473 -17.292 1.00 0.00 H new ATOM 0 HA ASN A 26 -26.167 21.568 -19.801 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -25.162 22.016 -16.964 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -24.624 22.977 -18.328 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -28.177 23.753 -16.500 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -27.038 22.525 -15.938 1.00 0.00 H new ATOM 357 N VAL A 27 -23.844 19.785 -18.263 1.00 0.00 N ATOM 358 CA VAL A 27 -22.584 19.080 -18.465 1.00 0.00 C ATOM 359 C VAL A 27 -22.753 17.921 -19.442 1.00 0.00 C ATOM 360 O VAL A 27 -21.813 17.542 -20.141 1.00 0.00 O ATOM 361 CB VAL A 27 -22.024 18.539 -17.136 1.00 0.00 C ATOM 362 CG1 VAL A 27 -22.519 17.122 -16.885 1.00 0.00 C ATOM 363 CG2 VAL A 27 -20.504 18.588 -17.139 1.00 0.00 C ATOM 0 H VAL A 27 -24.253 19.661 -17.337 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.881 19.802 -18.880 1.00 0.00 H new ATOM 0 HB VAL A 27 -22.384 19.173 -16.326 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.113 16.757 -15.942 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -23.608 17.120 -16.836 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -22.191 16.473 -17.697 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -20.126 18.202 -16.192 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -20.122 17.979 -17.958 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -20.173 19.619 -17.269 1.00 0.00 H new ATOM 373 N HIS A 28 -23.958 17.362 -19.485 1.00 0.00 N ATOM 374 CA HIS A 28 -24.252 16.246 -20.377 1.00 0.00 C ATOM 375 C HIS A 28 -24.269 16.705 -21.832 1.00 0.00 C ATOM 376 O HIS A 28 -23.780 16.005 -22.720 1.00 0.00 O ATOM 377 CB HIS A 28 -25.596 15.615 -20.014 1.00 0.00 C ATOM 378 CG HIS A 28 -26.047 14.567 -20.984 1.00 0.00 C ATOM 379 ND1 HIS A 28 -25.697 13.238 -20.873 1.00 0.00 N ATOM 380 CD2 HIS A 28 -26.827 14.658 -22.086 1.00 0.00 C ATOM 381 CE1 HIS A 28 -26.240 12.557 -21.866 1.00 0.00 C ATOM 382 NE2 HIS A 28 -26.931 13.396 -22.617 1.00 0.00 N ATOM 0 H HIS A 28 -24.747 17.663 -18.913 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.466 15.501 -20.258 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -25.524 15.172 -19.021 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -26.353 16.398 -19.960 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -27.283 15.556 -22.475 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -26.137 11.495 -22.035 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -27.456 13.147 -23.455 1.00 0.00 H new ATOM 390 N LEU A 29 -24.835 17.883 -22.070 1.00 0.00 N ATOM 391 CA LEU A 29 -24.916 18.434 -23.418 1.00 0.00 C ATOM 392 C LEU A 29 -23.532 18.812 -23.936 1.00 0.00 C ATOM 393 O LEU A 29 -23.332 18.972 -25.140 1.00 0.00 O ATOM 394 CB LEU A 29 -25.831 19.660 -23.434 1.00 0.00 C ATOM 395 CG LEU A 29 -27.277 19.424 -22.995 1.00 0.00 C ATOM 396 CD1 LEU A 29 -27.888 20.709 -22.458 1.00 0.00 C ATOM 397 CD2 LEU A 29 -28.104 18.881 -24.151 1.00 0.00 C ATOM 0 H LEU A 29 -25.245 18.475 -21.347 1.00 0.00 H new ATOM 0 HA LEU A 29 -25.332 17.668 -24.073 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -25.396 20.422 -22.787 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -25.841 20.068 -24.445 1.00 0.00 H new ATOM 0 HG LEU A 29 -27.277 18.683 -22.195 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -28.917 20.522 -22.151 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -27.311 21.056 -21.601 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -27.875 21.471 -23.237 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -29.130 18.719 -23.820 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -28.096 19.598 -24.972 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -27.679 17.936 -24.490 1.00 0.00 H new ATOM 409 N ARG A 30 -22.580 18.951 -23.019 1.00 0.00 N ATOM 410 CA ARG A 30 -21.215 19.309 -23.384 1.00 0.00 C ATOM 411 C ARG A 30 -20.632 18.299 -24.368 1.00 0.00 C ATOM 412 O ARG A 30 -20.030 18.672 -25.375 1.00 0.00 O ATOM 413 CB ARG A 30 -20.335 19.387 -22.135 1.00 0.00 C ATOM 414 CG ARG A 30 -20.669 20.559 -21.226 1.00 0.00 C ATOM 415 CD ARG A 30 -19.667 20.686 -20.089 1.00 0.00 C ATOM 416 NE ARG A 30 -18.414 21.294 -20.529 1.00 0.00 N ATOM 417 CZ ARG A 30 -17.546 21.867 -19.703 1.00 0.00 C ATOM 418 NH1 ARG A 30 -17.792 21.908 -18.401 1.00 0.00 N ATOM 419 NH2 ARG A 30 -16.427 22.399 -20.180 1.00 0.00 N ATOM 0 H ARG A 30 -22.729 18.821 -22.018 1.00 0.00 H new ATOM 0 HA ARG A 30 -21.239 20.287 -23.866 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -20.437 18.460 -21.571 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -19.291 19.461 -22.440 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -20.679 21.481 -21.808 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -21.671 20.429 -20.817 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -20.100 21.287 -19.289 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -19.464 19.699 -19.672 1.00 0.00 H new ATOM 0 HE ARG A 30 -18.194 21.278 -21.525 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.650 21.499 -18.031 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -17.123 22.349 -17.769 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -16.234 22.368 -21.181 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.761 22.839 -19.545 1.00 0.00 H new ATOM 433 N LYS A 31 -20.815 17.017 -24.069 1.00 0.00 N ATOM 434 CA LYS A 31 -20.309 15.952 -24.926 1.00 0.00 C ATOM 435 C LYS A 31 -21.017 15.958 -26.277 1.00 0.00 C ATOM 436 O LYS A 31 -20.522 15.389 -27.251 1.00 0.00 O ATOM 437 CB LYS A 31 -20.494 14.592 -24.248 1.00 0.00 C ATOM 438 CG LYS A 31 -21.865 13.980 -24.476 1.00 0.00 C ATOM 439 CD LYS A 31 -22.197 12.946 -23.414 1.00 0.00 C ATOM 440 CE LYS A 31 -23.685 12.926 -23.101 1.00 0.00 C ATOM 441 NZ LYS A 31 -24.418 11.949 -23.953 1.00 0.00 N ATOM 0 H LYS A 31 -21.310 16.691 -23.239 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.246 16.127 -25.091 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -19.733 13.905 -24.617 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -20.329 14.704 -23.176 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -22.621 14.765 -24.469 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -21.898 13.515 -25.461 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -21.883 11.959 -23.754 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.636 13.163 -22.505 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -23.832 12.674 -22.051 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -24.101 13.922 -23.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -25.254 12.409 -24.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -23.793 11.615 -24.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -24.720 11.140 -23.373 1.00 0.00 H new ATOM 455 N HIS A 32 -22.176 16.606 -26.330 1.00 0.00 N ATOM 456 CA HIS A 32 -22.951 16.688 -27.563 1.00 0.00 C ATOM 457 C HIS A 32 -22.456 17.833 -28.441 1.00 0.00 C ATOM 458 O HIS A 32 -23.183 18.329 -29.302 1.00 0.00 O ATOM 459 CB HIS A 32 -24.435 16.877 -27.246 1.00 0.00 C ATOM 460 CG HIS A 32 -25.129 15.611 -26.848 1.00 0.00 C ATOM 461 ND1 HIS A 32 -25.049 14.446 -27.581 1.00 0.00 N ATOM 462 CD2 HIS A 32 -25.916 15.330 -25.783 1.00 0.00 C ATOM 463 CE1 HIS A 32 -25.759 13.504 -26.987 1.00 0.00 C ATOM 464 NE2 HIS A 32 -26.296 14.015 -25.893 1.00 0.00 N ATOM 0 H HIS A 32 -22.599 17.082 -25.533 1.00 0.00 H new ATOM 0 HA HIS A 32 -22.820 15.753 -28.108 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -24.536 17.605 -26.441 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -24.934 17.296 -28.120 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -24.523 14.330 -28.447 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -26.193 16.013 -24.994 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -25.880 12.489 -27.336 1.00 0.00 H new ATOM 508 N LYS A 36 -13.138 16.461 -31.084 1.00 0.00 N ATOM 509 CA LYS A 36 -12.966 15.074 -30.667 1.00 0.00 C ATOM 510 C LYS A 36 -11.557 14.837 -30.133 1.00 0.00 C ATOM 511 O LYS A 36 -10.617 14.634 -30.902 1.00 0.00 O ATOM 512 CB LYS A 36 -13.244 14.130 -31.839 1.00 0.00 C ATOM 513 CG LYS A 36 -14.717 13.805 -32.021 1.00 0.00 C ATOM 514 CD LYS A 36 -15.071 12.461 -31.405 1.00 0.00 C ATOM 515 CE LYS A 36 -16.548 12.141 -31.578 1.00 0.00 C ATOM 516 NZ LYS A 36 -16.812 11.407 -32.846 1.00 0.00 N ATOM 0 HA LYS A 36 -13.678 14.870 -29.867 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.864 14.581 -32.756 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.692 13.203 -31.687 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.323 14.587 -31.563 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.960 13.795 -33.084 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.471 11.678 -31.868 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -14.821 12.468 -30.344 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -16.891 11.543 -30.734 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.124 13.067 -31.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -17.830 11.208 -32.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.508 11.988 -33.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.283 10.512 -32.845 1.00 0.00 H new ATOM 530 N PHE A 37 -11.417 14.863 -28.812 1.00 0.00 N ATOM 531 CA PHE A 37 -10.123 14.650 -28.176 1.00 0.00 C ATOM 532 C PHE A 37 -9.900 13.171 -27.878 1.00 0.00 C ATOM 533 O PHE A 37 -10.521 12.607 -26.977 1.00 0.00 O ATOM 534 CB PHE A 37 -10.027 15.463 -26.882 1.00 0.00 C ATOM 535 CG PHE A 37 -10.443 16.897 -27.043 1.00 0.00 C ATOM 536 CD1 PHE A 37 -11.779 17.257 -26.969 1.00 0.00 C ATOM 537 CD2 PHE A 37 -9.499 17.885 -27.268 1.00 0.00 C ATOM 538 CE1 PHE A 37 -12.166 18.576 -27.116 1.00 0.00 C ATOM 539 CE2 PHE A 37 -9.879 19.205 -27.416 1.00 0.00 C ATOM 540 CZ PHE A 37 -11.214 19.551 -27.341 1.00 0.00 C ATOM 0 H PHE A 37 -12.184 15.030 -28.161 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.348 14.984 -28.866 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -10.652 14.995 -26.121 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -9.001 15.430 -26.517 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.527 16.498 -26.794 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -8.454 17.621 -27.328 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -13.211 18.843 -27.055 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -9.133 19.966 -27.590 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.513 20.582 -27.458 1.00 0.00 H new ATOM 550 N ALA A 38 -9.009 12.547 -28.641 1.00 0.00 N ATOM 551 CA ALA A 38 -8.702 11.134 -28.459 1.00 0.00 C ATOM 552 C ALA A 38 -7.723 10.929 -27.309 1.00 0.00 C ATOM 553 O ALA A 38 -6.849 11.762 -27.067 1.00 0.00 O ATOM 554 CB ALA A 38 -8.139 10.546 -29.745 1.00 0.00 C ATOM 0 H ALA A 38 -8.487 12.998 -29.392 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.628 10.616 -28.210 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.914 9.490 -29.594 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.872 10.650 -30.544 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.226 11.076 -30.018 1.00 0.00 H new ATOM 560 N CYS A 39 -7.874 9.814 -26.601 1.00 0.00 N ATOM 561 CA CYS A 39 -7.004 9.499 -25.474 1.00 0.00 C ATOM 562 C CYS A 39 -5.590 9.180 -25.951 1.00 0.00 C ATOM 563 O CYS A 39 -5.403 8.511 -26.968 1.00 0.00 O ATOM 564 CB CYS A 39 -7.566 8.316 -24.683 1.00 0.00 C ATOM 565 SG CYS A 39 -6.542 7.818 -23.262 1.00 0.00 S ATOM 0 H CYS A 39 -8.591 9.113 -26.788 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.961 10.374 -24.825 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.564 8.572 -24.326 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.677 7.464 -25.354 1.00 0.00 H new ATOM 0 HG CYS A 39 -7.139 6.865 -22.609 1.00 0.00 H new ATOM 570 N ASP A 40 -4.599 9.661 -25.210 1.00 0.00 N ATOM 571 CA ASP A 40 -3.201 9.426 -25.556 1.00 0.00 C ATOM 572 C ASP A 40 -2.712 8.105 -24.972 1.00 0.00 C ATOM 573 O ASP A 40 -1.509 7.887 -24.825 1.00 0.00 O ATOM 574 CB ASP A 40 -2.328 10.576 -25.050 1.00 0.00 C ATOM 575 CG ASP A 40 -1.044 10.719 -25.843 1.00 0.00 C ATOM 576 OD1 ASP A 40 -1.125 10.962 -27.065 1.00 0.00 O ATOM 577 OD2 ASP A 40 0.042 10.589 -25.240 1.00 0.00 O ATOM 0 H ASP A 40 -4.737 10.216 -24.366 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.125 9.373 -26.642 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.891 11.508 -25.105 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -2.087 10.411 -24.000 1.00 0.00 H new ATOM 582 N TYR A 41 -3.652 7.226 -24.640 1.00 0.00 N ATOM 583 CA TYR A 41 -3.317 5.927 -24.069 1.00 0.00 C ATOM 584 C TYR A 41 -4.001 4.801 -24.838 1.00 0.00 C ATOM 585 O TYR A 41 -3.445 3.714 -24.995 1.00 0.00 O ATOM 586 CB TYR A 41 -3.723 5.874 -22.595 1.00 0.00 C ATOM 587 CG TYR A 41 -3.027 6.907 -21.737 1.00 0.00 C ATOM 588 CD1 TYR A 41 -3.200 8.265 -21.972 1.00 0.00 C ATOM 589 CD2 TYR A 41 -2.196 6.523 -20.692 1.00 0.00 C ATOM 590 CE1 TYR A 41 -2.565 9.211 -21.191 1.00 0.00 C ATOM 591 CE2 TYR A 41 -1.558 7.462 -19.905 1.00 0.00 C ATOM 592 CZ TYR A 41 -1.745 8.805 -20.159 1.00 0.00 C ATOM 593 OH TYR A 41 -1.112 9.744 -19.378 1.00 0.00 O ATOM 0 H TYR A 41 -4.652 7.390 -24.757 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.238 5.792 -24.146 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.801 6.017 -22.518 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.505 4.881 -22.202 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.842 8.587 -22.779 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.046 5.472 -20.492 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.710 10.263 -21.387 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.916 7.147 -19.095 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.573 9.292 -18.695 1.00 0.00 H new ATOM 603 N CYS A 42 -5.211 5.070 -25.316 1.00 0.00 N ATOM 604 CA CYS A 42 -5.973 4.082 -26.069 1.00 0.00 C ATOM 605 C CYS A 42 -6.716 4.737 -27.230 1.00 0.00 C ATOM 606 O CYS A 42 -6.580 5.937 -27.469 1.00 0.00 O ATOM 607 CB CYS A 42 -6.968 3.367 -25.152 1.00 0.00 C ATOM 608 SG CYS A 42 -8.233 4.462 -24.430 1.00 0.00 S ATOM 0 H CYS A 42 -5.685 5.965 -25.195 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.272 3.352 -26.474 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.465 2.579 -25.717 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.419 2.883 -24.345 1.00 0.00 H new ATOM 0 HG CYS A 42 -7.680 5.579 -24.061 1.00 0.00 H new ATOM 613 N SER A 43 -7.500 3.940 -27.949 1.00 0.00 N ATOM 614 CA SER A 43 -8.261 4.441 -29.087 1.00 0.00 C ATOM 615 C SER A 43 -9.581 5.055 -28.630 1.00 0.00 C ATOM 616 O SER A 43 -10.592 4.973 -29.328 1.00 0.00 O ATOM 617 CB SER A 43 -8.530 3.312 -30.084 1.00 0.00 C ATOM 618 OG SER A 43 -9.521 2.425 -29.597 1.00 0.00 O ATOM 0 H SER A 43 -7.625 2.945 -27.763 1.00 0.00 H new ATOM 0 HA SER A 43 -7.669 5.215 -29.576 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.851 3.733 -31.037 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.608 2.763 -30.273 1.00 0.00 H new ATOM 0 HG SER A 43 -9.675 1.714 -30.254 1.00 0.00 H new ATOM 624 N PHE A 44 -9.563 5.672 -27.453 1.00 0.00 N ATOM 625 CA PHE A 44 -10.758 6.300 -26.901 1.00 0.00 C ATOM 626 C PHE A 44 -10.893 7.738 -27.393 1.00 0.00 C ATOM 627 O PHE A 44 -9.906 8.376 -27.761 1.00 0.00 O ATOM 628 CB PHE A 44 -10.713 6.274 -25.372 1.00 0.00 C ATOM 629 CG PHE A 44 -11.712 7.191 -24.727 1.00 0.00 C ATOM 630 CD1 PHE A 44 -11.412 8.528 -24.519 1.00 0.00 C ATOM 631 CD2 PHE A 44 -12.952 6.717 -24.328 1.00 0.00 C ATOM 632 CE1 PHE A 44 -12.330 9.375 -23.927 1.00 0.00 C ATOM 633 CE2 PHE A 44 -13.873 7.559 -23.736 1.00 0.00 C ATOM 634 CZ PHE A 44 -13.562 8.890 -23.533 1.00 0.00 C ATOM 0 H PHE A 44 -8.734 5.751 -26.863 1.00 0.00 H new ATOM 0 HA PHE A 44 -11.626 5.735 -27.242 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.892 5.255 -25.029 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -9.712 6.550 -25.041 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -10.450 8.913 -24.823 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -13.201 5.677 -24.482 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -12.084 10.415 -23.773 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -14.836 7.177 -23.432 1.00 0.00 H new ATOM 0 HZ PHE A 44 -14.280 9.549 -23.068 1.00 0.00 H new ATOM 644 N THR A 45 -12.123 8.243 -27.397 1.00 0.00 N ATOM 645 CA THR A 45 -12.389 9.604 -27.845 1.00 0.00 C ATOM 646 C THR A 45 -13.540 10.225 -27.062 1.00 0.00 C ATOM 647 O THR A 45 -14.395 9.516 -26.529 1.00 0.00 O ATOM 648 CB THR A 45 -12.723 9.646 -29.348 1.00 0.00 C ATOM 649 OG1 THR A 45 -13.669 8.619 -29.668 1.00 0.00 O ATOM 650 CG2 THR A 45 -11.467 9.466 -30.187 1.00 0.00 C ATOM 0 H THR A 45 -12.951 7.729 -27.095 1.00 0.00 H new ATOM 0 HA THR A 45 -11.480 10.179 -27.667 1.00 0.00 H new ATOM 0 HB THR A 45 -13.155 10.621 -29.575 1.00 0.00 H new ATOM 0 HG1 THR A 45 -13.878 8.653 -30.625 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.728 9.499 -31.245 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.761 10.266 -29.962 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.010 8.504 -29.956 1.00 0.00 H new ATOM 658 N CYS A 46 -13.557 11.552 -26.996 1.00 0.00 N ATOM 659 CA CYS A 46 -14.605 12.269 -26.278 1.00 0.00 C ATOM 660 C CYS A 46 -14.906 13.606 -26.947 1.00 0.00 C ATOM 661 O CYS A 46 -14.180 14.041 -27.842 1.00 0.00 O ATOM 662 CB CYS A 46 -14.191 12.494 -24.823 1.00 0.00 C ATOM 663 SG CYS A 46 -15.580 12.623 -23.672 1.00 0.00 S ATOM 0 H CYS A 46 -12.857 12.153 -27.431 1.00 0.00 H new ATOM 0 HA CYS A 46 -15.509 11.661 -26.301 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -13.547 11.673 -24.508 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -13.597 13.406 -24.762 1.00 0.00 H new ATOM 0 HG CYS A 46 -15.200 12.243 -22.489 1.00 0.00 H new ATOM 669 N LEU A 47 -15.980 14.252 -26.509 1.00 0.00 N ATOM 670 CA LEU A 47 -16.379 15.539 -27.067 1.00 0.00 C ATOM 671 C LEU A 47 -16.147 16.663 -26.062 1.00 0.00 C ATOM 672 O LEU A 47 -16.924 17.615 -25.990 1.00 0.00 O ATOM 673 CB LEU A 47 -17.852 15.505 -27.479 1.00 0.00 C ATOM 674 CG LEU A 47 -18.164 14.796 -28.797 1.00 0.00 C ATOM 675 CD1 LEU A 47 -17.559 15.555 -29.968 1.00 0.00 C ATOM 676 CD2 LEU A 47 -17.651 13.363 -28.767 1.00 0.00 C ATOM 0 H LEU A 47 -16.591 13.906 -25.769 1.00 0.00 H new ATOM 0 HA LEU A 47 -15.766 15.731 -27.948 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -18.419 15.019 -26.685 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -18.213 16.531 -27.547 1.00 0.00 H new ATOM 0 HG LEU A 47 -19.246 14.771 -28.926 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -17.791 15.035 -30.898 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.974 16.562 -30.002 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -16.477 15.612 -29.845 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.882 12.874 -29.713 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.572 13.366 -28.614 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -18.131 12.822 -27.952 1.00 0.00 H new ATOM 688 N SER A 48 -15.071 16.547 -25.290 1.00 0.00 N ATOM 689 CA SER A 48 -14.736 17.553 -24.289 1.00 0.00 C ATOM 690 C SER A 48 -13.364 17.279 -23.681 1.00 0.00 C ATOM 691 O SER A 48 -13.202 16.370 -22.867 1.00 0.00 O ATOM 692 CB SER A 48 -15.798 17.579 -23.188 1.00 0.00 C ATOM 693 OG SER A 48 -16.835 18.493 -23.501 1.00 0.00 O ATOM 0 H SER A 48 -14.416 15.766 -25.339 1.00 0.00 H new ATOM 0 HA SER A 48 -14.708 18.525 -24.781 1.00 0.00 H new ATOM 0 HB2 SER A 48 -16.216 16.581 -23.058 1.00 0.00 H new ATOM 0 HB3 SER A 48 -15.337 17.858 -22.240 1.00 0.00 H new ATOM 0 HG SER A 48 -17.026 18.455 -24.461 1.00 0.00 H new ATOM 699 N LYS A 49 -12.377 18.072 -24.083 1.00 0.00 N ATOM 700 CA LYS A 49 -11.017 17.918 -23.579 1.00 0.00 C ATOM 701 C LYS A 49 -11.022 17.630 -22.081 1.00 0.00 C ATOM 702 O LYS A 49 -10.346 16.714 -21.614 1.00 0.00 O ATOM 703 CB LYS A 49 -10.200 19.181 -23.864 1.00 0.00 C ATOM 704 CG LYS A 49 -10.965 20.469 -23.616 1.00 0.00 C ATOM 705 CD LYS A 49 -10.176 21.683 -24.077 1.00 0.00 C ATOM 706 CE LYS A 49 -11.096 22.815 -24.508 1.00 0.00 C ATOM 707 NZ LYS A 49 -10.423 24.141 -24.423 1.00 0.00 N ATOM 0 H LYS A 49 -12.493 18.829 -24.757 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.559 17.073 -24.092 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.306 19.174 -23.241 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.866 19.161 -24.901 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -11.920 20.433 -24.141 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -11.189 20.561 -22.553 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -9.529 22.026 -23.269 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.528 21.403 -24.908 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.429 22.642 -25.531 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -11.986 22.819 -23.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -11.083 24.885 -24.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -10.127 24.318 -23.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.588 24.147 -25.043 1.00 0.00 H new ATOM 721 N GLY A 50 -11.789 18.417 -21.334 1.00 0.00 N ATOM 722 CA GLY A 50 -11.868 18.229 -19.897 1.00 0.00 C ATOM 723 C GLY A 50 -12.178 16.795 -19.516 1.00 0.00 C ATOM 724 O GLY A 50 -11.478 16.197 -18.698 1.00 0.00 O ATOM 0 H GLY A 50 -12.357 19.182 -21.698 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.923 18.526 -19.442 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.638 18.884 -19.490 1.00 0.00 H new ATOM 728 N HIS A 51 -13.231 16.241 -20.109 1.00 0.00 N ATOM 729 CA HIS A 51 -13.633 14.868 -19.826 1.00 0.00 C ATOM 730 C HIS A 51 -12.499 13.895 -20.136 1.00 0.00 C ATOM 731 O HIS A 51 -12.190 13.011 -19.337 1.00 0.00 O ATOM 732 CB HIS A 51 -14.873 14.500 -20.641 1.00 0.00 C ATOM 733 CG HIS A 51 -15.749 13.485 -19.973 1.00 0.00 C ATOM 734 ND1 HIS A 51 -16.792 12.852 -20.615 1.00 0.00 N ATOM 735 CD2 HIS A 51 -15.730 12.992 -18.712 1.00 0.00 C ATOM 736 CE1 HIS A 51 -17.379 12.015 -19.777 1.00 0.00 C ATOM 737 NE2 HIS A 51 -16.753 12.081 -18.616 1.00 0.00 N ATOM 0 H HIS A 51 -13.821 16.722 -20.788 1.00 0.00 H new ATOM 0 HA HIS A 51 -13.870 14.796 -18.765 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -15.455 15.402 -20.829 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -14.559 14.115 -21.611 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -17.068 13.006 -21.585 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -15.039 13.264 -17.928 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -18.226 11.385 -20.003 1.00 0.00 H new ATOM 745 N LEU A 52 -11.883 14.064 -21.301 1.00 0.00 N ATOM 746 CA LEU A 52 -10.784 13.200 -21.717 1.00 0.00 C ATOM 747 C LEU A 52 -9.809 12.968 -20.568 1.00 0.00 C ATOM 748 O LEU A 52 -9.335 11.851 -20.357 1.00 0.00 O ATOM 749 CB LEU A 52 -10.048 13.816 -22.909 1.00 0.00 C ATOM 750 CG LEU A 52 -8.720 13.161 -23.289 1.00 0.00 C ATOM 751 CD1 LEU A 52 -8.928 11.696 -23.640 1.00 0.00 C ATOM 752 CD2 LEU A 52 -8.072 13.903 -24.449 1.00 0.00 C ATOM 0 H LEU A 52 -12.126 14.791 -21.974 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.203 12.238 -22.014 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.708 13.781 -23.776 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.862 14.868 -22.692 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.051 13.216 -22.430 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.972 11.247 -23.908 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.347 11.172 -22.781 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.614 11.618 -24.483 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.128 13.423 -24.706 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.737 13.881 -25.312 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.886 14.938 -24.161 1.00 0.00 H new ATOM 764 N LYS A 53 -9.515 14.029 -19.825 1.00 0.00 N ATOM 765 CA LYS A 53 -8.599 13.942 -18.693 1.00 0.00 C ATOM 766 C LYS A 53 -9.095 12.925 -17.669 1.00 0.00 C ATOM 767 O LYS A 53 -8.330 12.087 -17.191 1.00 0.00 O ATOM 768 CB LYS A 53 -8.441 15.312 -18.032 1.00 0.00 C ATOM 769 CG LYS A 53 -7.755 15.259 -16.677 1.00 0.00 C ATOM 770 CD LYS A 53 -7.401 16.649 -16.176 1.00 0.00 C ATOM 771 CE LYS A 53 -6.148 17.183 -16.853 1.00 0.00 C ATOM 772 NZ LYS A 53 -6.087 18.670 -16.814 1.00 0.00 N ATOM 0 H LYS A 53 -9.898 14.961 -19.986 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.630 13.612 -19.066 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -7.869 15.962 -18.694 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.425 15.765 -17.914 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.408 14.767 -15.956 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.850 14.656 -16.750 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.234 17.327 -16.362 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.249 16.620 -15.097 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.266 16.770 -16.362 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.123 16.846 -17.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.219 18.994 -17.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.915 19.064 -17.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.085 18.992 -15.825 1.00 0.00 H new ATOM 786 N VAL A 54 -10.380 13.005 -17.337 1.00 0.00 N ATOM 787 CA VAL A 54 -10.978 12.091 -16.372 1.00 0.00 C ATOM 788 C VAL A 54 -10.824 10.642 -16.819 1.00 0.00 C ATOM 789 O VAL A 54 -10.553 9.756 -16.009 1.00 0.00 O ATOM 790 CB VAL A 54 -12.473 12.396 -16.162 1.00 0.00 C ATOM 791 CG1 VAL A 54 -13.092 11.395 -15.198 1.00 0.00 C ATOM 792 CG2 VAL A 54 -12.660 13.819 -15.659 1.00 0.00 C ATOM 0 H VAL A 54 -11.026 13.694 -17.722 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.450 12.235 -15.430 1.00 0.00 H new ATOM 0 HB VAL A 54 -12.983 12.304 -17.121 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.148 11.626 -15.062 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.990 10.388 -15.604 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -12.581 11.452 -14.237 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -13.722 14.018 -15.516 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.137 13.941 -14.711 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.255 14.519 -16.390 1.00 0.00 H new ATOM 802 N HIS A 55 -10.999 10.407 -18.116 1.00 0.00 N ATOM 803 CA HIS A 55 -10.878 9.064 -18.673 1.00 0.00 C ATOM 804 C HIS A 55 -9.547 8.430 -18.279 1.00 0.00 C ATOM 805 O HIS A 55 -9.480 7.236 -17.987 1.00 0.00 O ATOM 806 CB HIS A 55 -11.006 9.107 -20.196 1.00 0.00 C ATOM 807 CG HIS A 55 -10.447 7.896 -20.878 1.00 0.00 C ATOM 808 ND1 HIS A 55 -11.174 6.742 -21.078 1.00 0.00 N ATOM 809 CD2 HIS A 55 -9.223 7.666 -21.409 1.00 0.00 C ATOM 810 CE1 HIS A 55 -10.421 5.853 -21.702 1.00 0.00 C ATOM 811 NE2 HIS A 55 -9.233 6.389 -21.914 1.00 0.00 N ATOM 0 H HIS A 55 -11.225 11.129 -18.800 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.685 8.454 -18.266 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.058 9.210 -20.461 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.494 9.994 -20.571 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -12.142 6.597 -20.790 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -8.394 8.358 -21.431 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.726 4.858 -21.990 1.00 0.00 H new ATOM 819 N ILE A 56 -8.492 9.237 -18.276 1.00 0.00 N ATOM 820 CA ILE A 56 -7.163 8.755 -17.918 1.00 0.00 C ATOM 821 C ILE A 56 -7.005 8.653 -16.405 1.00 0.00 C ATOM 822 O ILE A 56 -6.270 7.802 -15.905 1.00 0.00 O ATOM 823 CB ILE A 56 -6.062 9.674 -18.478 1.00 0.00 C ATOM 824 CG1 ILE A 56 -6.185 9.787 -19.999 1.00 0.00 C ATOM 825 CG2 ILE A 56 -4.687 9.149 -18.090 1.00 0.00 C ATOM 826 CD1 ILE A 56 -5.625 11.077 -20.556 1.00 0.00 C ATOM 0 H ILE A 56 -8.531 10.227 -18.517 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.056 7.764 -18.359 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.186 10.668 -18.048 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.667 8.946 -20.461 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.236 9.706 -20.278 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.919 9.809 -18.493 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.604 9.116 -17.004 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.553 8.146 -18.495 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.746 11.088 -21.639 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.159 11.923 -20.122 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.566 11.151 -20.308 1.00 0.00 H new ATOM 838 N GLU A 57 -7.700 9.525 -15.682 1.00 0.00 N ATOM 839 CA GLU A 57 -7.636 9.531 -14.225 1.00 0.00 C ATOM 840 C GLU A 57 -8.487 8.409 -13.638 1.00 0.00 C ATOM 841 O GLU A 57 -8.438 8.141 -12.438 1.00 0.00 O ATOM 842 CB GLU A 57 -8.106 10.881 -13.678 1.00 0.00 C ATOM 843 CG GLU A 57 -7.429 12.073 -14.334 1.00 0.00 C ATOM 844 CD GLU A 57 -6.178 12.511 -13.599 1.00 0.00 C ATOM 845 OE1 GLU A 57 -6.260 12.738 -12.373 1.00 0.00 O ATOM 846 OE2 GLU A 57 -5.117 12.628 -14.248 1.00 0.00 O ATOM 0 H GLU A 57 -8.313 10.236 -16.081 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.599 9.368 -13.932 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.184 10.964 -13.817 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.919 10.913 -12.605 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.172 11.819 -15.362 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.131 12.906 -14.377 1.00 0.00 H new ATOM 853 N ARG A 58 -9.267 7.756 -14.494 1.00 0.00 N ATOM 854 CA ARG A 58 -10.130 6.664 -14.061 1.00 0.00 C ATOM 855 C ARG A 58 -9.731 5.355 -14.737 1.00 0.00 C ATOM 856 O ARG A 58 -9.768 4.290 -14.120 1.00 0.00 O ATOM 857 CB ARG A 58 -11.593 6.987 -14.374 1.00 0.00 C ATOM 858 CG ARG A 58 -12.019 6.584 -15.776 1.00 0.00 C ATOM 859 CD ARG A 58 -13.390 7.142 -16.123 1.00 0.00 C ATOM 860 NE ARG A 58 -13.864 6.664 -17.419 1.00 0.00 N ATOM 861 CZ ARG A 58 -15.142 6.663 -17.780 1.00 0.00 C ATOM 862 NH1 ARG A 58 -16.070 7.114 -16.947 1.00 0.00 N ATOM 863 NH2 ARG A 58 -15.494 6.212 -18.977 1.00 0.00 N ATOM 0 H ARG A 58 -9.319 7.965 -15.491 1.00 0.00 H new ATOM 0 HA ARG A 58 -10.013 6.547 -12.984 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.231 6.480 -13.650 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.755 8.057 -14.248 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -11.285 6.943 -16.498 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.037 5.497 -15.854 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.103 6.858 -15.349 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.346 8.231 -16.132 1.00 0.00 H new ATOM 0 HE ARG A 58 -13.175 6.311 -18.084 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.803 7.463 -16.026 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -17.051 7.112 -17.227 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.783 5.866 -19.621 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -16.476 6.212 -19.253 1.00 0.00 H new ATOM 877 N VAL A 59 -9.352 5.443 -16.007 1.00 0.00 N ATOM 878 CA VAL A 59 -8.945 4.267 -16.767 1.00 0.00 C ATOM 879 C VAL A 59 -7.451 4.004 -16.616 1.00 0.00 C ATOM 880 O VAL A 59 -7.042 2.989 -16.051 1.00 0.00 O ATOM 881 CB VAL A 59 -9.280 4.421 -18.262 1.00 0.00 C ATOM 882 CG1 VAL A 59 -8.834 3.191 -19.039 1.00 0.00 C ATOM 883 CG2 VAL A 59 -10.769 4.670 -18.452 1.00 0.00 C ATOM 0 H VAL A 59 -9.318 6.317 -16.532 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.502 3.421 -16.363 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.738 5.283 -18.650 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.079 3.318 -20.093 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.757 3.062 -18.930 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -9.346 2.310 -18.651 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -10.987 4.776 -19.515 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -11.333 3.829 -18.048 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.055 5.583 -17.930 1.00 0.00 H new ATOM 893 N HIS A 60 -6.640 4.926 -17.125 1.00 0.00 N ATOM 894 CA HIS A 60 -5.189 4.795 -17.046 1.00 0.00 C ATOM 895 C HIS A 60 -4.635 5.595 -15.871 1.00 0.00 C ATOM 896 O HIS A 60 -3.675 6.352 -16.019 1.00 0.00 O ATOM 897 CB HIS A 60 -4.542 5.266 -18.349 1.00 0.00 C ATOM 898 CG HIS A 60 -5.314 4.883 -19.574 1.00 0.00 C ATOM 899 ND1 HIS A 60 -5.161 3.670 -20.212 1.00 0.00 N ATOM 900 CD2 HIS A 60 -6.251 5.561 -20.277 1.00 0.00 C ATOM 901 CE1 HIS A 60 -5.969 3.619 -21.255 1.00 0.00 C ATOM 902 NE2 HIS A 60 -6.642 4.754 -21.317 1.00 0.00 N ATOM 0 H HIS A 60 -6.962 5.771 -17.596 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.951 3.743 -16.891 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.436 6.350 -18.321 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -3.537 4.849 -18.418 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -6.622 6.552 -20.060 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.064 2.790 -21.941 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.339 4.992 -22.023 1.00 0.00 H new ATOM 910 N LYS A 61 -5.245 5.422 -14.703 1.00 0.00 N ATOM 911 CA LYS A 61 -4.813 6.126 -13.502 1.00 0.00 C ATOM 912 C LYS A 61 -3.574 5.470 -12.902 1.00 0.00 C ATOM 913 O LYS A 61 -3.596 4.295 -12.535 1.00 0.00 O ATOM 914 CB LYS A 61 -5.941 6.151 -12.467 1.00 0.00 C ATOM 915 CG LYS A 61 -5.457 6.380 -11.046 1.00 0.00 C ATOM 916 CD LYS A 61 -4.761 7.723 -10.903 1.00 0.00 C ATOM 917 CE LYS A 61 -5.734 8.878 -11.090 1.00 0.00 C ATOM 918 NZ LYS A 61 -5.322 10.080 -10.315 1.00 0.00 N ATOM 0 H LYS A 61 -6.041 4.800 -14.563 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.561 7.149 -13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.649 6.937 -12.732 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.483 5.206 -12.510 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.303 6.333 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.771 5.582 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.299 7.791 -9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.959 7.799 -11.638 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.797 9.132 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.731 8.568 -10.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.010 10.845 -10.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.286 9.845 -9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.382 10.392 -10.632 1.00 0.00 H new ATOM 995 N GLN A 65 5.341 3.200 -16.223 1.00 0.00 N ATOM 996 CA GLN A 65 6.266 3.348 -17.341 1.00 0.00 C ATOM 997 C GLN A 65 7.542 2.549 -17.101 1.00 0.00 C ATOM 998 O GLN A 65 8.428 2.982 -16.363 1.00 0.00 O ATOM 999 CB GLN A 65 6.606 4.824 -17.556 1.00 0.00 C ATOM 1000 CG GLN A 65 5.416 5.667 -17.985 1.00 0.00 C ATOM 1001 CD GLN A 65 4.806 5.195 -19.291 1.00 0.00 C ATOM 1002 OE1 GLN A 65 5.388 4.372 -19.999 1.00 0.00 O ATOM 1003 NE2 GLN A 65 3.628 5.714 -19.616 1.00 0.00 N ATOM 0 HA GLN A 65 5.780 2.960 -18.236 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.015 5.232 -16.632 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.387 4.902 -18.312 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.657 5.641 -17.203 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.730 6.705 -18.090 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.182 6.393 -18.999 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.169 5.434 -20.483 1.00 0.00 H new ATOM 1012 N HIS A 66 7.630 1.381 -17.729 1.00 0.00 N ATOM 1013 CA HIS A 66 8.800 0.521 -17.584 1.00 0.00 C ATOM 1014 C HIS A 66 9.674 0.577 -18.833 1.00 0.00 C ATOM 1015 O HIS A 66 9.287 0.091 -19.896 1.00 0.00 O ATOM 1016 CB HIS A 66 8.368 -0.920 -17.313 1.00 0.00 C ATOM 1017 CG HIS A 66 7.547 -1.517 -18.414 1.00 0.00 C ATOM 1018 ND1 HIS A 66 6.192 -1.296 -18.546 1.00 0.00 N ATOM 1019 CD2 HIS A 66 7.896 -2.328 -19.439 1.00 0.00 C ATOM 1020 CE1 HIS A 66 5.743 -1.948 -19.604 1.00 0.00 C ATOM 1021 NE2 HIS A 66 6.758 -2.582 -20.164 1.00 0.00 N ATOM 0 H HIS A 66 6.906 1.008 -18.343 1.00 0.00 H new ATOM 0 HA HIS A 66 9.384 0.883 -16.738 1.00 0.00 H new ATOM 0 HB2 HIS A 66 9.256 -1.534 -17.159 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.795 -0.950 -16.386 1.00 0.00 H new ATOM 0 HD2 HIS A 66 8.886 -2.706 -19.648 1.00 0.00 H new ATOM 0 HE1 HIS A 66 4.721 -1.961 -19.952 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.705 -3.165 -20.999 1.00 0.00 H new ATOM 1029 N CYS A 67 10.853 1.174 -18.698 1.00 0.00 N ATOM 1030 CA CYS A 67 11.782 1.295 -19.815 1.00 0.00 C ATOM 1031 C CYS A 67 11.945 -0.041 -20.534 1.00 0.00 C ATOM 1032 O CYS A 67 12.307 -1.046 -19.922 1.00 0.00 O ATOM 1033 CB CYS A 67 13.143 1.792 -19.323 1.00 0.00 C ATOM 1034 SG CYS A 67 14.282 2.282 -20.657 1.00 0.00 S ATOM 0 H CYS A 67 11.188 1.582 -17.825 1.00 0.00 H new ATOM 0 HA CYS A 67 11.372 2.019 -20.519 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.989 2.644 -18.660 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.612 1.007 -18.730 1.00 0.00 H new ATOM 0 HG CYS A 67 15.318 2.879 -20.146 1.00 0.00 H new ATOM 1039 N ARG A 68 11.677 -0.043 -21.836 1.00 0.00 N ATOM 1040 CA ARG A 68 11.793 -1.255 -22.638 1.00 0.00 C ATOM 1041 C ARG A 68 13.234 -1.473 -23.088 1.00 0.00 C ATOM 1042 O ARG A 68 13.487 -2.114 -24.108 1.00 0.00 O ATOM 1043 CB ARG A 68 10.873 -1.175 -23.857 1.00 0.00 C ATOM 1044 CG ARG A 68 11.405 -0.279 -24.964 1.00 0.00 C ATOM 1045 CD ARG A 68 11.511 1.167 -24.507 1.00 0.00 C ATOM 1046 NE ARG A 68 11.605 2.092 -25.634 1.00 0.00 N ATOM 1047 CZ ARG A 68 10.596 2.353 -26.457 1.00 0.00 C ATOM 1048 NH1 ARG A 68 9.422 1.762 -26.280 1.00 0.00 N ATOM 1049 NH2 ARG A 68 10.759 3.206 -27.460 1.00 0.00 N ATOM 0 H ARG A 68 11.378 0.781 -22.358 1.00 0.00 H new ATOM 0 HA ARG A 68 11.492 -2.100 -22.019 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.722 -2.179 -24.254 1.00 0.00 H new ATOM 0 HB3 ARG A 68 9.897 -0.807 -23.541 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.385 -0.634 -25.282 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.747 -0.340 -25.831 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.641 1.421 -23.902 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.387 1.282 -23.869 1.00 0.00 H new ATOM 0 HE ARG A 68 12.495 2.563 -25.798 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.293 1.105 -25.510 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.649 1.964 -26.914 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.660 3.662 -27.600 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.983 3.405 -28.091 1.00 0.00 H new ATOM 1063 N PHE A 69 14.176 -0.934 -22.321 1.00 0.00 N ATOM 1064 CA PHE A 69 15.593 -1.067 -22.642 1.00 0.00 C ATOM 1065 C PHE A 69 16.343 -1.761 -21.509 1.00 0.00 C ATOM 1066 O PHE A 69 17.168 -2.645 -21.745 1.00 0.00 O ATOM 1067 CB PHE A 69 16.209 0.307 -22.910 1.00 0.00 C ATOM 1068 CG PHE A 69 15.678 0.970 -24.149 1.00 0.00 C ATOM 1069 CD1 PHE A 69 15.615 0.279 -25.348 1.00 0.00 C ATOM 1070 CD2 PHE A 69 15.243 2.285 -24.114 1.00 0.00 C ATOM 1071 CE1 PHE A 69 15.128 0.887 -26.489 1.00 0.00 C ATOM 1072 CE2 PHE A 69 14.754 2.899 -25.253 1.00 0.00 C ATOM 1073 CZ PHE A 69 14.696 2.198 -26.441 1.00 0.00 C ATOM 0 H PHE A 69 13.984 -0.401 -21.473 1.00 0.00 H new ATOM 0 HA PHE A 69 15.681 -1.677 -23.541 1.00 0.00 H new ATOM 0 HB2 PHE A 69 16.022 0.954 -22.053 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.290 0.201 -22.999 1.00 0.00 H new ATOM 0 HD1 PHE A 69 15.950 -0.747 -25.391 1.00 0.00 H new ATOM 0 HD2 PHE A 69 15.286 2.837 -23.187 1.00 0.00 H new ATOM 0 HE1 PHE A 69 15.085 0.338 -27.418 1.00 0.00 H new ATOM 0 HE2 PHE A 69 14.418 3.925 -25.213 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.313 2.674 -27.332 1.00 0.00 H new ATOM 1083 N CYS A 70 16.052 -1.355 -20.278 1.00 0.00 N ATOM 1084 CA CYS A 70 16.699 -1.935 -19.107 1.00 0.00 C ATOM 1085 C CYS A 70 15.664 -2.373 -18.075 1.00 0.00 C ATOM 1086 O CYS A 70 16.007 -2.740 -16.951 1.00 0.00 O ATOM 1087 CB CYS A 70 17.665 -0.928 -18.481 1.00 0.00 C ATOM 1088 SG CYS A 70 16.960 0.736 -18.252 1.00 0.00 S ATOM 0 H CYS A 70 15.371 -0.626 -20.065 1.00 0.00 H new ATOM 0 HA CYS A 70 17.259 -2.813 -19.430 1.00 0.00 H new ATOM 0 HB2 CYS A 70 17.993 -1.308 -17.513 1.00 0.00 H new ATOM 0 HB3 CYS A 70 18.552 -0.852 -19.110 1.00 0.00 H new ATOM 0 HG CYS A 70 17.231 1.469 -19.291 1.00 0.00 H new ATOM 1093 N LYS A 71 14.394 -2.332 -18.464 1.00 0.00 N ATOM 1094 CA LYS A 71 13.307 -2.725 -17.575 1.00 0.00 C ATOM 1095 C LYS A 71 13.258 -1.825 -16.345 1.00 0.00 C ATOM 1096 O LYS A 71 12.861 -2.257 -15.262 1.00 0.00 O ATOM 1097 CB LYS A 71 13.475 -4.185 -17.146 1.00 0.00 C ATOM 1098 CG LYS A 71 13.246 -5.180 -18.270 1.00 0.00 C ATOM 1099 CD LYS A 71 11.779 -5.252 -18.660 1.00 0.00 C ATOM 1100 CE LYS A 71 11.014 -6.223 -17.774 1.00 0.00 C ATOM 1101 NZ LYS A 71 10.645 -5.610 -16.469 1.00 0.00 N ATOM 0 H LYS A 71 14.092 -2.030 -19.390 1.00 0.00 H new ATOM 0 HA LYS A 71 12.369 -2.618 -18.119 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.480 -4.324 -16.748 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.779 -4.399 -16.335 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.841 -4.894 -19.138 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.590 -6.167 -17.960 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.332 -4.260 -18.585 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.693 -5.563 -19.701 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.111 -6.551 -18.289 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.622 -7.111 -17.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.684 -5.906 -16.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.316 -5.921 -15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.678 -4.574 -16.551 1.00 0.00 H new ATOM 1115 N LYS A 72 13.662 -0.571 -16.519 1.00 0.00 N ATOM 1116 CA LYS A 72 13.661 0.392 -15.424 1.00 0.00 C ATOM 1117 C LYS A 72 12.266 0.971 -15.209 1.00 0.00 C ATOM 1118 O LYS A 72 11.668 1.534 -16.126 1.00 0.00 O ATOM 1119 CB LYS A 72 14.654 1.520 -15.709 1.00 0.00 C ATOM 1120 CG LYS A 72 15.125 2.247 -14.461 1.00 0.00 C ATOM 1121 CD LYS A 72 16.311 1.544 -13.821 1.00 0.00 C ATOM 1122 CE LYS A 72 16.562 2.049 -12.409 1.00 0.00 C ATOM 1123 NZ LYS A 72 17.475 3.226 -12.395 1.00 0.00 N ATOM 0 H LYS A 72 13.994 -0.198 -17.408 1.00 0.00 H new ATOM 0 HA LYS A 72 13.963 -0.129 -14.515 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.520 1.108 -16.228 1.00 0.00 H new ATOM 0 HB3 LYS A 72 14.190 2.239 -16.385 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.402 3.270 -14.717 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.307 2.308 -13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.129 0.470 -13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 72 17.201 1.703 -14.429 1.00 0.00 H new ATOM 0 HE2 LYS A 72 15.613 2.320 -11.946 1.00 0.00 H new ATOM 0 HE3 LYS A 72 16.993 1.248 -11.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.621 3.540 -11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 18.389 2.961 -12.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.053 4.000 -12.947 1.00 0.00 H new ATOM 1137 N LYS A 73 11.753 0.829 -13.992 1.00 0.00 N ATOM 1138 CA LYS A 73 10.429 1.340 -13.655 1.00 0.00 C ATOM 1139 C LYS A 73 10.483 2.835 -13.355 1.00 0.00 C ATOM 1140 O LYS A 73 11.521 3.359 -12.950 1.00 0.00 O ATOM 1141 CB LYS A 73 9.861 0.587 -12.450 1.00 0.00 C ATOM 1142 CG LYS A 73 8.955 -0.571 -12.828 1.00 0.00 C ATOM 1143 CD LYS A 73 7.573 -0.088 -13.236 1.00 0.00 C ATOM 1144 CE LYS A 73 6.663 0.082 -12.029 1.00 0.00 C ATOM 1145 NZ LYS A 73 6.038 -1.206 -11.620 1.00 0.00 N ATOM 0 H LYS A 73 12.234 0.364 -13.222 1.00 0.00 H new ATOM 0 HA LYS A 73 9.777 1.183 -14.514 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.686 0.209 -11.846 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.303 1.285 -11.826 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.403 -1.131 -13.649 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.868 -1.256 -11.985 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.660 0.861 -13.764 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.128 -0.800 -13.931 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.237 0.488 -11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.883 0.807 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.425 -1.048 -10.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.470 -1.581 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.782 -1.890 -11.373 1.00 0.00 H new ATOM 1159 N TYR A 74 9.359 3.514 -13.554 1.00 0.00 N ATOM 1160 CA TYR A 74 9.279 4.949 -13.306 1.00 0.00 C ATOM 1161 C TYR A 74 7.850 5.365 -12.974 1.00 0.00 C ATOM 1162 O TYR A 74 6.895 4.901 -13.598 1.00 0.00 O ATOM 1163 CB TYR A 74 9.780 5.727 -14.523 1.00 0.00 C ATOM 1164 CG TYR A 74 11.287 5.822 -14.604 1.00 0.00 C ATOM 1165 CD1 TYR A 74 12.033 4.826 -15.222 1.00 0.00 C ATOM 1166 CD2 TYR A 74 11.965 6.907 -14.060 1.00 0.00 C ATOM 1167 CE1 TYR A 74 13.410 4.908 -15.297 1.00 0.00 C ATOM 1168 CE2 TYR A 74 13.341 6.998 -14.132 1.00 0.00 C ATOM 1169 CZ TYR A 74 14.059 5.996 -14.752 1.00 0.00 C ATOM 1170 OH TYR A 74 15.431 6.082 -14.824 1.00 0.00 O ATOM 0 H TYR A 74 8.491 3.094 -13.886 1.00 0.00 H new ATOM 0 HA TYR A 74 9.913 5.180 -12.450 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.406 5.249 -15.428 1.00 0.00 H new ATOM 0 HB3 TYR A 74 9.362 6.733 -14.497 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.528 3.973 -15.651 1.00 0.00 H new ATOM 0 HD2 TYR A 74 11.406 7.692 -13.573 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.975 4.124 -15.780 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.852 7.848 -13.706 1.00 0.00 H new ATOM 0 HH TYR A 74 15.723 6.952 -14.480 1.00 0.00 H new ATOM 1180 N SER A 75 7.710 6.245 -11.987 1.00 0.00 N ATOM 1181 CA SER A 75 6.397 6.723 -11.569 1.00 0.00 C ATOM 1182 C SER A 75 5.847 7.740 -12.565 1.00 0.00 C ATOM 1183 O SER A 75 4.678 7.683 -12.945 1.00 0.00 O ATOM 1184 CB SER A 75 6.479 7.349 -10.176 1.00 0.00 C ATOM 1185 OG SER A 75 5.193 7.467 -9.593 1.00 0.00 O ATOM 0 H SER A 75 8.490 6.641 -11.462 1.00 0.00 H new ATOM 0 HA SER A 75 5.720 5.869 -11.537 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.117 6.739 -9.537 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.943 8.333 -10.243 1.00 0.00 H new ATOM 0 HG SER A 75 5.273 7.868 -8.703 1.00 0.00 H new ATOM 1191 N ASP A 76 6.699 8.669 -12.983 1.00 0.00 N ATOM 1192 CA ASP A 76 6.301 9.699 -13.936 1.00 0.00 C ATOM 1193 C ASP A 76 7.092 9.574 -15.234 1.00 0.00 C ATOM 1194 O ASP A 76 8.322 9.605 -15.229 1.00 0.00 O ATOM 1195 CB ASP A 76 6.505 11.089 -13.331 1.00 0.00 C ATOM 1196 CG ASP A 76 5.918 11.207 -11.938 1.00 0.00 C ATOM 1197 OD1 ASP A 76 6.487 10.607 -11.003 1.00 0.00 O ATOM 1198 OD2 ASP A 76 4.888 11.897 -11.784 1.00 0.00 O ATOM 0 H ASP A 76 7.670 8.730 -12.677 1.00 0.00 H new ATOM 0 HA ASP A 76 5.244 9.561 -14.162 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.571 11.312 -13.293 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.046 11.835 -13.980 1.00 0.00 H new ATOM 1203 N VAL A 77 6.376 9.431 -16.345 1.00 0.00 N ATOM 1204 CA VAL A 77 7.011 9.302 -17.652 1.00 0.00 C ATOM 1205 C VAL A 77 8.036 10.407 -17.877 1.00 0.00 C ATOM 1206 O VAL A 77 9.095 10.178 -18.461 1.00 0.00 O ATOM 1207 CB VAL A 77 5.971 9.342 -18.787 1.00 0.00 C ATOM 1208 CG1 VAL A 77 5.242 10.676 -18.797 1.00 0.00 C ATOM 1209 CG2 VAL A 77 6.638 9.079 -20.129 1.00 0.00 C ATOM 0 H VAL A 77 5.357 9.402 -16.366 1.00 0.00 H new ATOM 0 HA VAL A 77 7.515 8.336 -17.665 1.00 0.00 H new ATOM 0 HB VAL A 77 5.237 8.556 -18.611 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.511 10.685 -19.606 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.731 10.819 -17.845 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.960 11.482 -18.948 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.889 9.111 -20.920 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.395 9.841 -20.315 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.109 8.096 -20.115 1.00 0.00 H new ATOM 1219 N LYS A 78 7.715 11.609 -17.409 1.00 0.00 N ATOM 1220 CA LYS A 78 8.607 12.752 -17.557 1.00 0.00 C ATOM 1221 C LYS A 78 10.048 12.362 -17.242 1.00 0.00 C ATOM 1222 O LYS A 78 10.968 12.696 -17.987 1.00 0.00 O ATOM 1223 CB LYS A 78 8.165 13.893 -16.638 1.00 0.00 C ATOM 1224 CG LYS A 78 7.101 14.788 -17.249 1.00 0.00 C ATOM 1225 CD LYS A 78 6.904 16.056 -16.435 1.00 0.00 C ATOM 1226 CE LYS A 78 6.091 15.790 -15.177 1.00 0.00 C ATOM 1227 NZ LYS A 78 4.636 15.669 -15.472 1.00 0.00 N ATOM 0 H LYS A 78 6.842 11.816 -16.923 1.00 0.00 H new ATOM 0 HA LYS A 78 8.557 13.088 -18.593 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.784 13.472 -15.708 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.034 14.499 -16.381 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.386 15.049 -18.268 1.00 0.00 H new ATOM 0 HG3 LYS A 78 6.158 14.244 -17.311 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.875 16.469 -16.161 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.399 16.806 -17.044 1.00 0.00 H new ATOM 0 HE2 LYS A 78 6.443 14.873 -14.704 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.251 16.598 -14.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.111 15.539 -14.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.305 16.533 -15.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 4.475 14.850 -16.092 1.00 0.00 H new ATOM 1241 N ASN A 79 10.235 11.651 -16.134 1.00 0.00 N ATOM 1242 CA ASN A 79 11.564 11.214 -15.722 1.00 0.00 C ATOM 1243 C ASN A 79 12.128 10.189 -16.701 1.00 0.00 C ATOM 1244 O ASN A 79 13.258 10.321 -17.173 1.00 0.00 O ATOM 1245 CB ASN A 79 11.514 10.618 -14.314 1.00 0.00 C ATOM 1246 CG ASN A 79 11.492 11.684 -13.235 1.00 0.00 C ATOM 1247 OD1 ASN A 79 12.442 11.822 -12.465 1.00 0.00 O ATOM 1248 ND2 ASN A 79 10.404 12.443 -13.176 1.00 0.00 N ATOM 0 H ASN A 79 9.483 11.366 -15.506 1.00 0.00 H new ATOM 0 HA ASN A 79 12.220 12.084 -15.718 1.00 0.00 H new ATOM 0 HB2 ASN A 79 10.628 9.991 -14.219 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.379 9.972 -14.165 1.00 0.00 H new ATOM 0 HD21 ASN A 79 10.332 13.177 -12.471 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.641 12.292 -13.836 1.00 0.00 H new ATOM 1255 N LEU A 80 11.333 9.168 -17.002 1.00 0.00 N ATOM 1256 CA LEU A 80 11.752 8.119 -17.926 1.00 0.00 C ATOM 1257 C LEU A 80 12.416 8.716 -19.163 1.00 0.00 C ATOM 1258 O LEU A 80 13.430 8.206 -19.641 1.00 0.00 O ATOM 1259 CB LEU A 80 10.550 7.267 -18.339 1.00 0.00 C ATOM 1260 CG LEU A 80 10.817 6.204 -19.405 1.00 0.00 C ATOM 1261 CD1 LEU A 80 11.737 5.122 -18.862 1.00 0.00 C ATOM 1262 CD2 LEU A 80 9.509 5.598 -19.892 1.00 0.00 C ATOM 0 H LEU A 80 10.395 9.044 -16.620 1.00 0.00 H new ATOM 0 HA LEU A 80 12.479 7.488 -17.415 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.158 6.772 -17.450 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.767 7.931 -18.705 1.00 0.00 H new ATOM 0 HG LEU A 80 11.311 6.682 -20.251 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.915 4.374 -19.635 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.686 5.568 -18.562 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.270 4.647 -17.999 1.00 0.00 H new ATOM 0 HD21 LEU A 80 9.718 4.843 -20.650 1.00 0.00 H new ATOM 0 HD22 LEU A 80 8.988 5.136 -19.054 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.883 6.380 -20.321 1.00 0.00 H new ATOM 1274 N ILE A 81 11.839 9.798 -19.673 1.00 0.00 N ATOM 1275 CA ILE A 81 12.377 10.466 -20.852 1.00 0.00 C ATOM 1276 C ILE A 81 13.836 10.859 -20.643 1.00 0.00 C ATOM 1277 O ILE A 81 14.692 10.579 -21.483 1.00 0.00 O ATOM 1278 CB ILE A 81 11.564 11.725 -21.206 1.00 0.00 C ATOM 1279 CG1 ILE A 81 10.081 11.378 -21.348 1.00 0.00 C ATOM 1280 CG2 ILE A 81 12.091 12.353 -22.488 1.00 0.00 C ATOM 1281 CD1 ILE A 81 9.775 10.508 -22.547 1.00 0.00 C ATOM 0 H ILE A 81 10.999 10.231 -19.289 1.00 0.00 H new ATOM 0 HA ILE A 81 12.308 9.756 -21.676 1.00 0.00 H new ATOM 0 HB ILE A 81 11.673 12.449 -20.398 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.748 10.867 -20.445 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.506 12.301 -21.423 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.506 13.242 -22.725 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.136 12.632 -22.354 1.00 0.00 H new ATOM 0 HG23 ILE A 81 12.009 11.636 -23.305 1.00 0.00 H new ATOM 0 HD11 ILE A 81 8.705 10.302 -22.584 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.077 11.025 -23.458 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.322 9.569 -22.464 1.00 0.00 H new ATOM 1293 N LYS A 82 14.113 11.507 -19.517 1.00 0.00 N ATOM 1294 CA LYS A 82 15.469 11.937 -19.195 1.00 0.00 C ATOM 1295 C LYS A 82 16.405 10.738 -19.077 1.00 0.00 C ATOM 1296 O LYS A 82 17.537 10.773 -19.560 1.00 0.00 O ATOM 1297 CB LYS A 82 15.476 12.734 -17.888 1.00 0.00 C ATOM 1298 CG LYS A 82 16.832 13.326 -17.545 1.00 0.00 C ATOM 1299 CD LYS A 82 16.725 14.353 -16.429 1.00 0.00 C ATOM 1300 CE LYS A 82 16.582 13.686 -15.070 1.00 0.00 C ATOM 1301 NZ LYS A 82 16.067 14.630 -14.040 1.00 0.00 N ATOM 0 H LYS A 82 13.416 11.746 -18.811 1.00 0.00 H new ATOM 0 HA LYS A 82 15.824 12.575 -20.004 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.745 13.539 -17.959 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.156 12.084 -17.074 1.00 0.00 H new ATOM 0 HG2 LYS A 82 17.512 12.529 -17.244 1.00 0.00 H new ATOM 0 HG3 LYS A 82 17.261 13.794 -18.431 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.610 14.989 -16.432 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.867 15.000 -16.610 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.906 12.835 -15.153 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.549 13.296 -14.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.984 14.137 -13.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.724 15.430 -13.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.133 14.983 -14.329 1.00 0.00 H new ATOM 1315 N HIS A 83 15.926 9.679 -18.433 1.00 0.00 N ATOM 1316 CA HIS A 83 16.720 8.469 -18.254 1.00 0.00 C ATOM 1317 C HIS A 83 17.278 7.983 -19.588 1.00 0.00 C ATOM 1318 O HIS A 83 18.492 7.867 -19.759 1.00 0.00 O ATOM 1319 CB HIS A 83 15.875 7.369 -17.610 1.00 0.00 C ATOM 1320 CG HIS A 83 16.302 5.985 -17.991 1.00 0.00 C ATOM 1321 ND1 HIS A 83 17.413 5.367 -17.458 1.00 0.00 N ATOM 1322 CD2 HIS A 83 15.759 5.098 -18.858 1.00 0.00 C ATOM 1323 CE1 HIS A 83 17.536 4.160 -17.981 1.00 0.00 C ATOM 1324 NE2 HIS A 83 16.545 3.972 -18.833 1.00 0.00 N ATOM 0 H HIS A 83 14.992 9.634 -18.026 1.00 0.00 H new ATOM 0 HA HIS A 83 17.556 8.707 -17.596 1.00 0.00 H new ATOM 0 HB2 HIS A 83 15.926 7.471 -16.526 1.00 0.00 H new ATOM 0 HB3 HIS A 83 14.832 7.510 -17.894 1.00 0.00 H new ATOM 0 HD1 HIS A 83 18.042 5.777 -16.768 1.00 0.00 H new ATOM 0 HD2 HIS A 83 14.873 5.248 -19.457 1.00 0.00 H new ATOM 0 HE1 HIS A 83 18.315 3.448 -17.751 1.00 0.00 H new ATOM 1332 N ILE A 84 16.384 7.700 -20.530 1.00 0.00 N ATOM 1333 CA ILE A 84 16.788 7.227 -21.848 1.00 0.00 C ATOM 1334 C ILE A 84 17.874 8.117 -22.442 1.00 0.00 C ATOM 1335 O ILE A 84 18.899 7.629 -22.920 1.00 0.00 O ATOM 1336 CB ILE A 84 15.593 7.177 -22.818 1.00 0.00 C ATOM 1337 CG1 ILE A 84 14.673 6.005 -22.469 1.00 0.00 C ATOM 1338 CG2 ILE A 84 16.082 7.063 -24.255 1.00 0.00 C ATOM 1339 CD1 ILE A 84 13.241 6.209 -22.910 1.00 0.00 C ATOM 0 H ILE A 84 15.376 7.790 -20.405 1.00 0.00 H new ATOM 0 HA ILE A 84 17.180 6.219 -21.715 1.00 0.00 H new ATOM 0 HB ILE A 84 15.025 8.102 -22.719 1.00 0.00 H new ATOM 0 HG12 ILE A 84 15.062 5.098 -22.932 1.00 0.00 H new ATOM 0 HG13 ILE A 84 14.693 5.846 -21.391 1.00 0.00 H new ATOM 0 HG21 ILE A 84 15.226 7.029 -24.929 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.701 7.927 -24.498 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.670 6.152 -24.368 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.647 5.339 -22.630 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.834 7.097 -22.427 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.208 6.338 -23.992 1.00 0.00 H new ATOM 1351 N ARG A 85 17.644 9.426 -22.408 1.00 0.00 N ATOM 1352 CA ARG A 85 18.603 10.385 -22.943 1.00 0.00 C ATOM 1353 C ARG A 85 19.889 10.382 -22.123 1.00 0.00 C ATOM 1354 O ARG A 85 20.903 10.944 -22.538 1.00 0.00 O ATOM 1355 CB ARG A 85 17.997 11.789 -22.958 1.00 0.00 C ATOM 1356 CG ARG A 85 16.644 11.862 -23.647 1.00 0.00 C ATOM 1357 CD ARG A 85 15.873 13.104 -23.230 1.00 0.00 C ATOM 1358 NE ARG A 85 15.017 13.603 -24.303 1.00 0.00 N ATOM 1359 CZ ARG A 85 15.441 14.415 -25.265 1.00 0.00 C ATOM 1360 NH1 ARG A 85 16.704 14.818 -25.287 1.00 0.00 N ATOM 1361 NH2 ARG A 85 14.602 14.826 -26.207 1.00 0.00 N ATOM 0 H ARG A 85 16.802 9.846 -22.015 1.00 0.00 H new ATOM 0 HA ARG A 85 18.844 10.090 -23.964 1.00 0.00 H new ATOM 0 HB2 ARG A 85 17.892 12.141 -21.932 1.00 0.00 H new ATOM 0 HB3 ARG A 85 18.687 12.468 -23.459 1.00 0.00 H new ATOM 0 HG2 ARG A 85 16.785 11.866 -24.728 1.00 0.00 H new ATOM 0 HG3 ARG A 85 16.062 10.973 -23.404 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.263 12.875 -22.356 1.00 0.00 H new ATOM 0 HD3 ARG A 85 16.575 13.884 -22.934 1.00 0.00 H new ATOM 0 HE ARG A 85 14.039 13.312 -24.314 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.352 14.504 -24.564 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.028 15.441 -26.027 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.630 14.519 -26.193 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.929 15.450 -26.945 1.00 0.00 H new ATOM 1375 N ASP A 86 19.840 9.747 -20.957 1.00 0.00 N ATOM 1376 CA ASP A 86 21.001 9.671 -20.078 1.00 0.00 C ATOM 1377 C ASP A 86 21.765 8.370 -20.299 1.00 0.00 C ATOM 1378 O ASP A 86 22.922 8.382 -20.719 1.00 0.00 O ATOM 1379 CB ASP A 86 20.567 9.781 -18.615 1.00 0.00 C ATOM 1380 CG ASP A 86 20.039 11.159 -18.269 1.00 0.00 C ATOM 1381 OD1 ASP A 86 20.241 12.092 -19.075 1.00 0.00 O ATOM 1382 OD2 ASP A 86 19.422 11.305 -17.193 1.00 0.00 O ATOM 0 H ASP A 86 19.008 9.277 -20.599 1.00 0.00 H new ATOM 0 HA ASP A 86 21.662 10.504 -20.316 1.00 0.00 H new ATOM 0 HB2 ASP A 86 19.796 9.038 -18.411 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.414 9.547 -17.970 1.00 0.00 H new ATOM 1387 N ALA A 87 21.111 7.249 -20.011 1.00 0.00 N ATOM 1388 CA ALA A 87 21.729 5.940 -20.179 1.00 0.00 C ATOM 1389 C ALA A 87 21.673 5.490 -21.635 1.00 0.00 C ATOM 1390 O ALA A 87 22.686 5.091 -22.212 1.00 0.00 O ATOM 1391 CB ALA A 87 21.049 4.916 -19.282 1.00 0.00 C ATOM 0 H ALA A 87 20.154 7.222 -19.660 1.00 0.00 H new ATOM 0 HA ALA A 87 22.777 6.021 -19.890 1.00 0.00 H new ATOM 0 HB1 ALA A 87 21.521 3.943 -19.418 1.00 0.00 H new ATOM 0 HB2 ALA A 87 21.145 5.224 -18.241 1.00 0.00 H new ATOM 0 HB3 ALA A 87 19.993 4.847 -19.544 1.00 0.00 H new ATOM 1397 N HIS A 88 20.484 5.554 -22.225 1.00 0.00 N ATOM 1398 CA HIS A 88 20.297 5.153 -23.615 1.00 0.00 C ATOM 1399 C HIS A 88 20.376 6.360 -24.544 1.00 0.00 C ATOM 1400 O HIS A 88 19.540 6.528 -25.432 1.00 0.00 O ATOM 1401 CB HIS A 88 18.950 4.449 -23.787 1.00 0.00 C ATOM 1402 CG HIS A 88 18.697 3.382 -22.768 1.00 0.00 C ATOM 1403 ND1 HIS A 88 19.496 2.266 -22.632 1.00 0.00 N ATOM 1404 CD2 HIS A 88 17.728 3.265 -21.830 1.00 0.00 C ATOM 1405 CE1 HIS A 88 19.029 1.509 -21.656 1.00 0.00 C ATOM 1406 NE2 HIS A 88 17.956 2.092 -21.153 1.00 0.00 N ATOM 0 H HIS A 88 19.635 5.880 -21.762 1.00 0.00 H new ATOM 0 HA HIS A 88 21.097 4.461 -23.879 1.00 0.00 H new ATOM 0 HB2 HIS A 88 18.152 5.190 -23.731 1.00 0.00 H new ATOM 0 HB3 HIS A 88 18.905 4.007 -24.782 1.00 0.00 H new ATOM 0 HD1 HIS A 88 20.319 2.058 -23.197 1.00 0.00 H new ATOM 0 HD2 HIS A 88 16.925 3.964 -21.648 1.00 0.00 H new ATOM 0 HE1 HIS A 88 19.453 0.572 -21.325 1.00 0.00 H new ATOM 1414 N ASP A 89 21.386 7.197 -24.334 1.00 0.00 N ATOM 1415 CA ASP A 89 21.575 8.389 -25.153 1.00 0.00 C ATOM 1416 C ASP A 89 21.892 8.011 -26.597 1.00 0.00 C ATOM 1417 O ASP A 89 22.911 7.387 -26.891 1.00 0.00 O ATOM 1418 CB ASP A 89 22.698 9.254 -24.581 1.00 0.00 C ATOM 1419 CG ASP A 89 23.924 8.442 -24.213 1.00 0.00 C ATOM 1420 OD1 ASP A 89 24.161 7.400 -24.858 1.00 0.00 O ATOM 1421 OD2 ASP A 89 24.647 8.849 -23.278 1.00 0.00 O ATOM 0 H ASP A 89 22.087 7.072 -23.603 1.00 0.00 H new ATOM 0 HA ASP A 89 20.646 8.959 -25.141 1.00 0.00 H new ATOM 0 HB2 ASP A 89 22.975 10.014 -25.311 1.00 0.00 H new ATOM 0 HB3 ASP A 89 22.335 9.779 -23.697 1.00 0.00 H new