USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 719 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 11 LYS NZ :NH3+ 159:sc= 0.388! (180deg=0) USER MOD Set 1.2: A 58 TYR OH : rot 165:sc= -0.355! USER MOD Set 2.1: A 14 HIS : no HD1:sc= -1.26 K(o=-6.8,f=-21!) USER MOD Set 2.2: A 49 SER OG : rot 78:sc= -1.36! USER MOD Set 2.3: A 86 SER OG : rot -152:sc= -0.652! USER MOD Set 2.4: A 91 HIS : no HE2:sc= -3.53! C(o=-6.8!,f=-28!) USER MOD Set 3.1: A 27 GLN : amide:sc= -6.78! C(o=-6.6!,f=-26!) USER MOD Set 3.2: A 31 LYS NZ :NH3+ -159:sc= 0.131! (180deg=-0.705!) USER MOD Set 4.1: A 20 GLN : amide:sc= 0.0213! K(o=2.1!,f=0.79) USER MOD Set 4.2: A 85 LYS NZ :NH3+ -111:sc= 0.7! (180deg=0.129) USER MOD Set 4.3: A 90 TYR OH : rot -76:sc= 1.39 USER MOD Single : A 9 LYS NZ :NH3+ -164:sc= -0.173 (180deg=-0.753) USER MOD Single : A 12 CYS SG : rot -107:sc= -4.21! USER MOD Single : A 13 SER OG : rot 180:sc= -0.13 USER MOD Single : A 18 LYS NZ :NH3+ 162:sc= -0.0795 (180deg=-0.579) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0.706 (180deg=0.687) USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= -0.103 (180deg=-0.675) USER MOD Single : A 38 LYS NZ :NH3+ -145:sc= -0.999 (180deg=-6.56!) USER MOD Single : A 41 LYS NZ :NH3+ -114:sc= 1.16! (180deg=-3.58!) USER MOD Single : A 44 SER OG : rot -175:sc= -3.25 USER MOD Single : A 51 LYS NZ :NH3+ 163:sc= -0.0216 (180deg=-0.303) USER MOD Single : A 55 SER OG : rot 101:sc= 0.721 USER MOD Single : A 63 LYS NZ :NH3+ 170:sc=-0.00716 (180deg=-0.154) USER MOD Single : A 64 MET CE :methyl -142:sc= -3.08 (180deg=-6.11!) USER MOD Single : A 66 LYS NZ :NH3+ -144:sc= -1.05! (180deg=-2.79!) USER MOD Single : A 76 GLN : amide:sc= 0.811 K(o=0.81,f=-0.58) USER MOD Single : A 81 SER OG : rot 160:sc= 0.466 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 96 N LYS A 9 -11.855 9.142 0.655 1.00 0.00 N ATOM 97 CA LYS A 9 -10.660 8.460 1.076 1.00 0.00 C ATOM 98 C LYS A 9 -10.496 7.179 0.291 1.00 0.00 C ATOM 99 O LYS A 9 -11.446 6.707 -0.347 1.00 0.00 O ATOM 100 CB LYS A 9 -10.729 8.187 2.572 1.00 0.00 C ATOM 101 CG LYS A 9 -10.871 9.532 3.286 1.00 0.00 C ATOM 102 CD LYS A 9 -10.906 9.355 4.806 1.00 0.00 C ATOM 103 CE LYS A 9 -11.289 10.697 5.460 1.00 0.00 C ATOM 104 NZ LYS A 9 -10.770 11.829 4.645 1.00 0.00 N ATOM 0 HA LYS A 9 -9.790 9.087 0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.575 7.540 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.831 7.669 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.039 10.181 3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.784 10.027 2.954 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.627 8.584 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.933 9.024 5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.373 10.770 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.881 10.748 6.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.788 12.701 5.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.793 11.627 4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.366 11.951 3.801 1.00 0.00 H new ATOM 118 N ILE A 10 -9.302 6.634 0.313 1.00 0.00 N ATOM 119 CA ILE A 10 -8.997 5.442 -0.455 1.00 0.00 C ATOM 120 C ILE A 10 -8.914 4.276 0.470 1.00 0.00 C ATOM 121 O ILE A 10 -8.201 4.331 1.462 1.00 0.00 O ATOM 122 CB ILE A 10 -7.641 5.586 -1.174 1.00 0.00 C ATOM 123 CG1 ILE A 10 -7.622 6.832 -2.054 1.00 0.00 C ATOM 124 CG2 ILE A 10 -7.381 4.353 -2.052 1.00 0.00 C ATOM 125 CD1 ILE A 10 -8.650 6.686 -3.177 1.00 0.00 C ATOM 0 H ILE A 10 -8.519 6.997 0.857 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.783 5.298 -1.196 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.864 5.674 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.846 7.715 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.627 6.976 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -6.421 4.462 -2.557 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.364 3.459 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.173 4.262 -2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.634 7.578 -3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.406 5.813 -3.782 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.644 6.563 -2.747 1.00 0.00 H new ATOM 137 N LYS A 11 -9.622 3.219 0.132 1.00 0.00 N ATOM 138 CA LYS A 11 -9.564 2.010 0.907 1.00 0.00 C ATOM 139 C LYS A 11 -8.440 1.166 0.357 1.00 0.00 C ATOM 140 O LYS A 11 -8.564 0.612 -0.730 1.00 0.00 O ATOM 141 CB LYS A 11 -10.870 1.248 0.750 1.00 0.00 C ATOM 142 CG LYS A 11 -12.027 2.091 1.266 1.00 0.00 C ATOM 143 CD LYS A 11 -13.350 1.374 0.984 1.00 0.00 C ATOM 144 CE LYS A 11 -13.556 0.248 2.015 1.00 0.00 C ATOM 145 NZ LYS A 11 -15.002 0.030 2.230 1.00 0.00 N ATOM 0 H LYS A 11 -10.243 3.178 -0.676 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.402 2.239 1.960 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.031 0.997 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.821 0.308 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.916 2.263 2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.021 3.069 0.784 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.177 2.082 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -13.344 0.961 -0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.088 -0.671 1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -13.074 0.511 2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.155 -0.920 2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -15.366 0.743 2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.504 0.114 1.323 1.00 0.00 H new ATOM 159 N CYS A 12 -7.327 1.117 1.046 1.00 0.00 N ATOM 160 CA CYS A 12 -6.187 0.386 0.524 1.00 0.00 C ATOM 161 C CYS A 12 -5.393 -0.294 1.596 1.00 0.00 C ATOM 162 O CYS A 12 -5.562 -0.027 2.795 1.00 0.00 O ATOM 163 CB CYS A 12 -5.284 1.296 -0.330 1.00 0.00 C ATOM 164 SG CYS A 12 -3.665 1.494 0.458 1.00 0.00 S ATOM 0 H CYS A 12 -7.181 1.563 1.952 1.00 0.00 H new ATOM 0 HA CYS A 12 -6.593 -0.399 -0.115 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -5.162 0.868 -1.325 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -5.755 2.270 -0.458 1.00 0.00 H new ATOM 0 HG CYS A 12 -3.567 2.692 0.953 1.00 0.00 H new ATOM 170 N SER A 13 -4.482 -1.119 1.150 1.00 0.00 N ATOM 171 CA SER A 13 -3.558 -1.791 2.003 1.00 0.00 C ATOM 172 C SER A 13 -2.165 -1.546 1.459 1.00 0.00 C ATOM 173 O SER A 13 -1.970 -1.572 0.236 1.00 0.00 O ATOM 174 CB SER A 13 -3.860 -3.289 2.024 1.00 0.00 C ATOM 175 OG SER A 13 -5.278 -3.480 2.122 1.00 0.00 O ATOM 0 H SER A 13 -4.366 -1.342 0.162 1.00 0.00 H new ATOM 0 HA SER A 13 -3.638 -1.416 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.478 -3.762 1.119 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.358 -3.762 2.868 1.00 0.00 H new ATOM 0 HG SER A 13 -5.479 -4.439 2.134 1.00 0.00 H new ATOM 181 N HIS A 14 -1.210 -1.273 2.330 1.00 0.00 N ATOM 182 CA HIS A 14 0.141 -1.001 1.866 1.00 0.00 C ATOM 183 C HIS A 14 1.183 -1.752 2.655 1.00 0.00 C ATOM 184 O HIS A 14 1.015 -2.021 3.853 1.00 0.00 O ATOM 185 CB HIS A 14 0.439 0.519 1.827 1.00 0.00 C ATOM 186 CG HIS A 14 1.243 0.981 3.029 1.00 0.00 C ATOM 187 ND1 HIS A 14 2.405 1.741 2.889 1.00 0.00 N ATOM 188 CD2 HIS A 14 1.069 0.813 4.382 1.00 0.00 C ATOM 189 CE1 HIS A 14 2.868 2.009 4.126 1.00 0.00 C ATOM 190 NE2 HIS A 14 2.097 1.465 5.075 1.00 0.00 N ATOM 0 H HIS A 14 -1.338 -1.234 3.341 1.00 0.00 H new ATOM 0 HA HIS A 14 0.198 -1.371 0.842 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.986 0.756 0.914 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -0.501 1.070 1.788 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.262 0.262 4.841 1.00 0.00 H new ATOM 0 HE1 HIS A 14 3.754 2.592 4.327 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.229 1.514 6.085 1.00 0.00 H new ATOM 198 N ILE A 15 2.262 -2.066 1.976 1.00 0.00 N ATOM 199 CA ILE A 15 3.385 -2.745 2.565 1.00 0.00 C ATOM 200 C ILE A 15 4.613 -1.878 2.353 1.00 0.00 C ATOM 201 O ILE A 15 4.898 -1.473 1.227 1.00 0.00 O ATOM 202 CB ILE A 15 3.553 -4.118 1.884 1.00 0.00 C ATOM 203 CG1 ILE A 15 2.285 -4.951 2.119 1.00 0.00 C ATOM 204 CG2 ILE A 15 4.760 -4.871 2.467 1.00 0.00 C ATOM 205 CD1 ILE A 15 2.313 -6.203 1.243 1.00 0.00 C ATOM 0 H ILE A 15 2.383 -1.853 0.986 1.00 0.00 H new ATOM 0 HA ILE A 15 3.237 -2.909 3.632 1.00 0.00 H new ATOM 0 HB ILE A 15 3.717 -3.963 0.818 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.215 -5.233 3.169 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.401 -4.356 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.860 -5.837 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.666 -4.286 2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.611 -5.025 3.536 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.410 -6.788 1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.361 -5.912 0.194 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.188 -6.803 1.494 1.00 0.00 H new ATOM 217 N LEU A 16 5.301 -1.548 3.430 1.00 0.00 N ATOM 218 CA LEU A 16 6.469 -0.681 3.350 1.00 0.00 C ATOM 219 C LEU A 16 7.717 -1.520 3.508 1.00 0.00 C ATOM 220 O LEU A 16 7.848 -2.266 4.485 1.00 0.00 O ATOM 221 CB LEU A 16 6.403 0.383 4.459 1.00 0.00 C ATOM 222 CG LEU A 16 7.547 1.407 4.304 1.00 0.00 C ATOM 223 CD1 LEU A 16 7.435 2.136 2.965 1.00 0.00 C ATOM 224 CD2 LEU A 16 7.466 2.433 5.442 1.00 0.00 C ATOM 0 H LEU A 16 5.074 -1.866 4.372 1.00 0.00 H new ATOM 0 HA LEU A 16 6.490 -0.178 2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.442 0.896 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.469 -0.098 5.435 1.00 0.00 H new ATOM 0 HG LEU A 16 8.499 0.878 4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.250 2.854 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.494 1.413 2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.481 2.661 2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.273 3.158 5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.507 2.949 5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.561 1.922 6.400 1.00 0.00 H new ATOM 236 N VAL A 17 8.600 -1.443 2.533 1.00 0.00 N ATOM 237 CA VAL A 17 9.802 -2.255 2.529 1.00 0.00 C ATOM 238 C VAL A 17 11.037 -1.422 2.235 1.00 0.00 C ATOM 239 O VAL A 17 10.961 -0.364 1.597 1.00 0.00 O ATOM 240 CB VAL A 17 9.664 -3.396 1.501 1.00 0.00 C ATOM 241 CG1 VAL A 17 8.277 -4.032 1.623 1.00 0.00 C ATOM 242 CG2 VAL A 17 9.828 -2.844 0.076 1.00 0.00 C ATOM 0 H VAL A 17 8.508 -0.823 1.728 1.00 0.00 H new ATOM 0 HA VAL A 17 9.924 -2.683 3.524 1.00 0.00 H new ATOM 0 HB VAL A 17 10.436 -4.140 1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.181 -4.838 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.148 -4.433 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.513 -3.278 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.729 -3.657 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.059 -2.095 -0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.812 -2.387 -0.026 1.00 0.00 H new ATOM 252 N LYS A 18 12.162 -1.901 2.708 1.00 0.00 N ATOM 253 CA LYS A 18 13.438 -1.246 2.490 1.00 0.00 C ATOM 254 C LYS A 18 13.889 -1.354 1.040 1.00 0.00 C ATOM 255 O LYS A 18 14.579 -0.472 0.542 1.00 0.00 O ATOM 256 CB LYS A 18 14.512 -1.834 3.416 1.00 0.00 C ATOM 257 CG LYS A 18 14.194 -1.499 4.886 1.00 0.00 C ATOM 258 CD LYS A 18 14.483 -0.013 5.159 1.00 0.00 C ATOM 259 CE LYS A 18 14.183 0.307 6.627 1.00 0.00 C ATOM 260 NZ LYS A 18 15.076 -0.489 7.506 1.00 0.00 N ATOM 0 H LYS A 18 12.223 -2.758 3.257 1.00 0.00 H new ATOM 0 HA LYS A 18 13.302 -0.190 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.562 -2.915 3.285 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.490 -1.435 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.149 -1.720 5.101 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.794 -2.123 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.525 0.213 4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.872 0.612 4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.327 1.371 6.814 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.141 0.082 6.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.095 -0.066 8.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.722 -1.465 7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 16.038 -0.494 7.110 1.00 0.00 H new ATOM 274 N LYS A 19 13.679 -2.518 0.444 1.00 0.00 N ATOM 275 CA LYS A 19 14.264 -2.819 -0.862 1.00 0.00 C ATOM 276 C LYS A 19 13.233 -2.870 -1.980 1.00 0.00 C ATOM 277 O LYS A 19 12.143 -3.417 -1.825 1.00 0.00 O ATOM 278 CB LYS A 19 15.032 -4.142 -0.790 1.00 0.00 C ATOM 279 CG LYS A 19 16.413 -3.902 -0.156 1.00 0.00 C ATOM 280 CD LYS A 19 16.368 -4.201 1.351 1.00 0.00 C ATOM 281 CE LYS A 19 17.160 -5.479 1.651 1.00 0.00 C ATOM 282 NZ LYS A 19 16.416 -6.648 1.121 1.00 0.00 N ATOM 0 H LYS A 19 13.112 -3.269 0.838 1.00 0.00 H new ATOM 0 HA LYS A 19 14.944 -2.003 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.471 -4.868 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.147 -4.562 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.157 -4.537 -0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.721 -2.869 -0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.786 -3.364 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.335 -4.318 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.148 -5.424 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.310 -5.585 2.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.007 -7.500 1.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.542 -6.781 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 16.176 -6.483 0.122 1.00 0.00 H new ATOM 296 N GLN A 20 13.652 -2.413 -3.147 1.00 0.00 N ATOM 297 CA GLN A 20 12.830 -2.477 -4.343 1.00 0.00 C ATOM 298 C GLN A 20 12.550 -3.928 -4.692 1.00 0.00 C ATOM 299 O GLN A 20 11.436 -4.283 -5.085 1.00 0.00 O ATOM 300 CB GLN A 20 13.551 -1.800 -5.516 1.00 0.00 C ATOM 301 CG GLN A 20 13.659 -0.293 -5.245 1.00 0.00 C ATOM 302 CD GLN A 20 14.419 0.397 -6.370 1.00 0.00 C ATOM 303 OE1 GLN A 20 14.564 1.632 -6.361 1.00 0.00 O ATOM 304 NE2 GLN A 20 14.909 -0.307 -7.348 1.00 0.00 N ATOM 0 H GLN A 20 14.568 -1.989 -3.292 1.00 0.00 H new ATOM 0 HA GLN A 20 11.890 -1.958 -4.154 1.00 0.00 H new ATOM 0 HB2 GLN A 20 14.544 -2.230 -5.644 1.00 0.00 H new ATOM 0 HB3 GLN A 20 13.006 -1.976 -6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 20 12.662 0.139 -5.153 1.00 0.00 H new ATOM 0 HG3 GLN A 20 14.168 -0.123 -4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 20 14.791 -1.320 -7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.412 0.154 -8.106 1.00 0.00 H new ATOM 313 N GLY A 21 13.558 -4.771 -4.523 1.00 0.00 N ATOM 314 CA GLY A 21 13.408 -6.192 -4.800 1.00 0.00 C ATOM 315 C GLY A 21 12.332 -6.784 -3.923 1.00 0.00 C ATOM 316 O GLY A 21 11.501 -7.562 -4.385 1.00 0.00 O ATOM 0 H GLY A 21 14.485 -4.497 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.154 -6.340 -5.850 1.00 0.00 H new ATOM 0 HA3 GLY A 21 14.353 -6.706 -4.625 1.00 0.00 H new ATOM 320 N GLU A 22 12.293 -6.334 -2.682 1.00 0.00 N ATOM 321 CA GLU A 22 11.272 -6.757 -1.750 1.00 0.00 C ATOM 322 C GLU A 22 9.904 -6.274 -2.228 1.00 0.00 C ATOM 323 O GLU A 22 8.929 -7.036 -2.258 1.00 0.00 O ATOM 324 CB GLU A 22 11.581 -6.162 -0.373 1.00 0.00 C ATOM 325 CG GLU A 22 12.852 -6.809 0.203 1.00 0.00 C ATOM 326 CD GLU A 22 13.292 -6.103 1.483 1.00 0.00 C ATOM 327 OE1 GLU A 22 12.747 -5.069 1.796 1.00 0.00 O ATOM 328 OE2 GLU A 22 14.205 -6.592 2.116 1.00 0.00 O ATOM 0 H GLU A 22 12.965 -5.670 -2.297 1.00 0.00 H new ATOM 0 HA GLU A 22 11.258 -7.845 -1.686 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.717 -5.084 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.741 -6.327 0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.666 -7.863 0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.653 -6.765 -0.535 1.00 0.00 H new ATOM 335 N ALA A 23 9.854 -5.022 -2.655 1.00 0.00 N ATOM 336 CA ALA A 23 8.616 -4.444 -3.161 1.00 0.00 C ATOM 337 C ALA A 23 8.126 -5.219 -4.380 1.00 0.00 C ATOM 338 O ALA A 23 6.966 -5.631 -4.447 1.00 0.00 O ATOM 339 CB ALA A 23 8.825 -2.973 -3.530 1.00 0.00 C ATOM 0 H ALA A 23 10.652 -4.387 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 23 7.863 -4.508 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.891 -2.556 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 23 9.141 -2.418 -2.647 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.593 -2.897 -4.300 1.00 0.00 H new ATOM 345 N LEU A 24 9.025 -5.460 -5.319 1.00 0.00 N ATOM 346 CA LEU A 24 8.677 -6.237 -6.493 1.00 0.00 C ATOM 347 C LEU A 24 8.320 -7.663 -6.113 1.00 0.00 C ATOM 348 O LEU A 24 7.408 -8.257 -6.682 1.00 0.00 O ATOM 349 CB LEU A 24 9.786 -6.207 -7.537 1.00 0.00 C ATOM 350 CG LEU A 24 9.882 -4.795 -8.135 1.00 0.00 C ATOM 351 CD1 LEU A 24 11.086 -4.720 -9.059 1.00 0.00 C ATOM 352 CD2 LEU A 24 8.611 -4.482 -8.946 1.00 0.00 C ATOM 0 H LEU A 24 9.991 -5.132 -5.292 1.00 0.00 H new ATOM 0 HA LEU A 24 7.797 -5.776 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.736 -6.487 -7.083 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.581 -6.934 -8.323 1.00 0.00 H new ATOM 0 HG LEU A 24 9.986 -4.072 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.156 -3.719 -9.485 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.992 -4.939 -8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.974 -5.449 -9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.686 -3.479 -9.367 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.506 -5.208 -9.753 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.740 -4.537 -8.293 1.00 0.00 H new ATOM 364 N ALA A 25 9.067 -8.223 -5.172 1.00 0.00 N ATOM 365 CA ALA A 25 8.835 -9.597 -4.747 1.00 0.00 C ATOM 366 C ALA A 25 7.403 -9.771 -4.286 1.00 0.00 C ATOM 367 O ALA A 25 6.690 -10.657 -4.771 1.00 0.00 O ATOM 368 CB ALA A 25 9.803 -9.992 -3.627 1.00 0.00 C ATOM 0 H ALA A 25 9.833 -7.752 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 25 9.012 -10.252 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.611 -11.022 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.829 -9.904 -3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.659 -9.331 -2.772 1.00 0.00 H new ATOM 374 N VAL A 26 6.942 -8.876 -3.423 1.00 0.00 N ATOM 375 CA VAL A 26 5.550 -8.924 -2.999 1.00 0.00 C ATOM 376 C VAL A 26 4.638 -8.646 -4.182 1.00 0.00 C ATOM 377 O VAL A 26 3.601 -9.290 -4.350 1.00 0.00 O ATOM 378 CB VAL A 26 5.260 -7.962 -1.830 1.00 0.00 C ATOM 379 CG1 VAL A 26 6.187 -8.284 -0.660 1.00 0.00 C ATOM 380 CG2 VAL A 26 5.487 -6.517 -2.259 1.00 0.00 C ATOM 0 H VAL A 26 7.496 -8.125 -3.011 1.00 0.00 H new ATOM 0 HA VAL A 26 5.349 -9.929 -2.627 1.00 0.00 H new ATOM 0 HB VAL A 26 4.220 -8.086 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.981 -7.603 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.019 -9.311 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.224 -8.169 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.278 -5.852 -1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.523 -6.389 -2.574 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.823 -6.275 -3.089 1.00 0.00 H new ATOM 390 N GLN A 27 5.066 -7.726 -5.034 1.00 0.00 N ATOM 391 CA GLN A 27 4.310 -7.393 -6.230 1.00 0.00 C ATOM 392 C GLN A 27 4.029 -8.645 -7.046 1.00 0.00 C ATOM 393 O GLN A 27 2.880 -8.899 -7.427 1.00 0.00 O ATOM 394 CB GLN A 27 5.096 -6.381 -7.074 1.00 0.00 C ATOM 395 CG GLN A 27 4.397 -5.026 -7.072 1.00 0.00 C ATOM 396 CD GLN A 27 3.237 -5.037 -8.047 1.00 0.00 C ATOM 397 OE1 GLN A 27 3.012 -6.029 -8.738 1.00 0.00 O ATOM 398 NE2 GLN A 27 2.496 -4.000 -8.153 1.00 0.00 N ATOM 0 H GLN A 27 5.931 -7.198 -4.919 1.00 0.00 H new ATOM 0 HA GLN A 27 3.358 -6.952 -5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.106 -6.276 -6.679 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.190 -6.747 -8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.037 -4.795 -6.069 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.104 -4.243 -7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.684 -3.178 -7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.717 -3.995 -8.811 1.00 0.00 H new ATOM 407 N GLU A 28 5.060 -9.446 -7.269 1.00 0.00 N ATOM 408 CA GLU A 28 4.910 -10.711 -7.985 1.00 0.00 C ATOM 409 C GLU A 28 4.155 -11.726 -7.136 1.00 0.00 C ATOM 410 O GLU A 28 3.312 -12.478 -7.635 1.00 0.00 O ATOM 411 CB GLU A 28 6.288 -11.289 -8.326 1.00 0.00 C ATOM 412 CG GLU A 28 6.986 -10.404 -9.369 1.00 0.00 C ATOM 413 CD GLU A 28 8.384 -10.923 -9.679 1.00 0.00 C ATOM 414 OE1 GLU A 28 8.820 -11.856 -9.030 1.00 0.00 O ATOM 415 OE2 GLU A 28 9.003 -10.388 -10.569 1.00 0.00 O ATOM 0 H GLU A 28 6.013 -9.245 -6.965 1.00 0.00 H new ATOM 0 HA GLU A 28 4.349 -10.514 -8.899 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.898 -11.353 -7.425 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.181 -12.303 -8.711 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.393 -10.377 -10.283 1.00 0.00 H new ATOM 0 HG3 GLU A 28 7.048 -9.380 -8.999 1.00 0.00 H new ATOM 422 N ARG A 29 4.518 -11.780 -5.872 1.00 0.00 N ATOM 423 CA ARG A 29 3.982 -12.766 -4.947 1.00 0.00 C ATOM 424 C ARG A 29 2.477 -12.610 -4.796 1.00 0.00 C ATOM 425 O ARG A 29 1.734 -13.592 -4.790 1.00 0.00 O ATOM 426 CB ARG A 29 4.706 -12.678 -3.606 1.00 0.00 C ATOM 427 CG ARG A 29 4.237 -13.801 -2.680 1.00 0.00 C ATOM 428 CD ARG A 29 5.123 -13.810 -1.434 1.00 0.00 C ATOM 429 NE ARG A 29 4.818 -14.963 -0.613 1.00 0.00 N ATOM 430 CZ ARG A 29 5.628 -15.386 0.348 1.00 0.00 C ATOM 431 NH1 ARG A 29 6.743 -14.748 0.602 1.00 0.00 N ATOM 432 NH2 ARG A 29 5.299 -16.443 1.033 1.00 0.00 N ATOM 0 H ARG A 29 5.194 -11.142 -5.452 1.00 0.00 H new ATOM 0 HA ARG A 29 4.157 -13.762 -5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.783 -12.749 -3.760 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.514 -11.710 -3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.194 -13.650 -2.401 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.294 -14.762 -3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.173 -13.829 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.968 -12.895 -0.862 1.00 0.00 H new ATOM 0 HE ARG A 29 3.948 -15.469 -0.780 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.992 -13.921 0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.362 -15.078 1.342 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.429 -16.933 0.827 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.912 -16.781 1.775 1.00 0.00 H new ATOM 446 N LEU A 30 2.018 -11.377 -4.755 1.00 0.00 N ATOM 447 CA LEU A 30 0.592 -11.113 -4.681 1.00 0.00 C ATOM 448 C LEU A 30 -0.106 -11.681 -5.894 1.00 0.00 C ATOM 449 O LEU A 30 -1.221 -12.185 -5.791 1.00 0.00 O ATOM 450 CB LEU A 30 0.300 -9.613 -4.535 1.00 0.00 C ATOM 451 CG LEU A 30 0.218 -9.210 -3.045 1.00 0.00 C ATOM 452 CD1 LEU A 30 -1.174 -9.559 -2.509 1.00 0.00 C ATOM 453 CD2 LEU A 30 1.279 -9.947 -2.211 1.00 0.00 C ATOM 0 H LEU A 30 2.606 -10.544 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 30 0.205 -11.606 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.082 -9.036 -5.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.638 -9.371 -5.034 1.00 0.00 H new ATOM 0 HG LEU A 30 0.401 -8.138 -2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.240 -9.278 -1.458 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.929 -9.017 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.344 -10.631 -2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.197 -9.643 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.121 -11.023 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.272 -9.698 -2.584 1.00 0.00 H new ATOM 465 N LYS A 31 0.565 -11.651 -7.028 1.00 0.00 N ATOM 466 CA LYS A 31 0.008 -12.232 -8.241 1.00 0.00 C ATOM 467 C LYS A 31 -0.171 -13.722 -8.018 1.00 0.00 C ATOM 468 O LYS A 31 -1.141 -14.320 -8.482 1.00 0.00 O ATOM 469 CB LYS A 31 0.937 -12.023 -9.444 1.00 0.00 C ATOM 470 CG LYS A 31 1.388 -10.560 -9.517 1.00 0.00 C ATOM 471 CD LYS A 31 0.183 -9.609 -9.441 1.00 0.00 C ATOM 472 CE LYS A 31 0.594 -8.223 -9.945 1.00 0.00 C ATOM 473 NZ LYS A 31 1.980 -7.943 -9.495 1.00 0.00 N ATOM 0 H LYS A 31 1.490 -11.235 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.943 -11.744 -8.455 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.806 -12.675 -9.359 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.421 -12.298 -10.364 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.077 -10.347 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.933 -10.389 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.639 -9.997 -10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.177 -9.542 -8.414 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.535 -8.184 -11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.088 -7.464 -9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.148 -6.917 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.111 -8.304 -8.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.654 -8.412 -10.134 1.00 0.00 H new ATOM 487 N ALA A 32 0.746 -14.307 -7.244 1.00 0.00 N ATOM 488 CA ALA A 32 0.655 -15.712 -6.883 1.00 0.00 C ATOM 489 C ALA A 32 -0.639 -15.957 -6.134 1.00 0.00 C ATOM 490 O ALA A 32 -1.169 -17.073 -6.131 1.00 0.00 O ATOM 491 CB ALA A 32 1.850 -16.142 -6.019 1.00 0.00 C ATOM 0 H ALA A 32 1.558 -13.824 -6.858 1.00 0.00 H new ATOM 0 HA ALA A 32 0.670 -16.306 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.754 -17.198 -5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.775 -15.985 -6.574 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.870 -15.549 -5.105 1.00 0.00 H new ATOM 497 N GLY A 33 -1.161 -14.899 -5.536 1.00 0.00 N ATOM 498 CA GLY A 33 -2.421 -14.947 -4.822 1.00 0.00 C ATOM 499 C GLY A 33 -2.223 -15.029 -3.318 1.00 0.00 C ATOM 500 O GLY A 33 -3.195 -15.073 -2.571 1.00 0.00 O ATOM 0 H GLY A 33 -0.719 -13.980 -5.534 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.007 -14.060 -5.062 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.996 -15.810 -5.159 1.00 0.00 H new ATOM 504 N GLU A 34 -0.976 -15.016 -2.863 1.00 0.00 N ATOM 505 CA GLU A 34 -0.723 -15.109 -1.429 1.00 0.00 C ATOM 506 C GLU A 34 -1.256 -13.883 -0.720 1.00 0.00 C ATOM 507 O GLU A 34 -1.537 -12.857 -1.358 1.00 0.00 O ATOM 508 CB GLU A 34 0.760 -15.333 -1.107 1.00 0.00 C ATOM 509 CG GLU A 34 1.236 -16.584 -1.853 1.00 0.00 C ATOM 510 CD GLU A 34 2.603 -17.021 -1.371 1.00 0.00 C ATOM 511 OE1 GLU A 34 3.017 -16.579 -0.319 1.00 0.00 O ATOM 512 OE2 GLU A 34 3.213 -17.803 -2.052 1.00 0.00 O ATOM 0 H GLU A 34 -0.143 -14.944 -3.448 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.255 -15.987 -1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.348 -14.466 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.900 -15.456 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.520 -17.393 -1.706 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.273 -16.381 -2.923 1.00 0.00 H new ATOM 519 N LYS A 35 -1.546 -14.038 0.557 1.00 0.00 N ATOM 520 CA LYS A 35 -2.220 -12.995 1.307 1.00 0.00 C ATOM 521 C LYS A 35 -1.384 -11.722 1.348 1.00 0.00 C ATOM 522 O LYS A 35 -0.261 -11.716 1.867 1.00 0.00 O ATOM 523 CB LYS A 35 -2.494 -13.475 2.735 1.00 0.00 C ATOM 524 CG LYS A 35 -3.744 -12.795 3.291 1.00 0.00 C ATOM 525 CD LYS A 35 -4.080 -13.396 4.661 1.00 0.00 C ATOM 526 CE LYS A 35 -5.399 -12.807 5.172 1.00 0.00 C ATOM 527 NZ LYS A 35 -5.349 -11.320 5.107 1.00 0.00 N ATOM 0 H LYS A 35 -1.326 -14.875 1.097 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.163 -12.773 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.626 -14.557 2.743 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.637 -13.253 3.371 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.578 -11.722 3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.581 -12.931 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.160 -14.480 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.278 -13.185 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.230 -13.178 4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.578 -13.129 6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.078 -10.920 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.412 -10.990 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.522 -11.009 4.130 1.00 0.00 H new ATOM 541 N PHE A 36 -2.001 -10.624 0.946 1.00 0.00 N ATOM 542 CA PHE A 36 -1.381 -9.315 1.026 1.00 0.00 C ATOM 543 C PHE A 36 -1.021 -9.056 2.473 1.00 0.00 C ATOM 544 O PHE A 36 0.099 -8.663 2.794 1.00 0.00 O ATOM 545 CB PHE A 36 -2.371 -8.238 0.532 1.00 0.00 C ATOM 546 CG PHE A 36 -1.692 -6.886 0.466 1.00 0.00 C ATOM 547 CD1 PHE A 36 -1.001 -6.507 -0.690 1.00 0.00 C ATOM 548 CD2 PHE A 36 -1.757 -6.014 1.556 1.00 0.00 C ATOM 549 CE1 PHE A 36 -0.377 -5.258 -0.757 1.00 0.00 C ATOM 550 CE2 PHE A 36 -1.130 -4.767 1.490 1.00 0.00 C ATOM 551 CZ PHE A 36 -0.442 -4.389 0.332 1.00 0.00 C ATOM 0 H PHE A 36 -2.943 -10.616 0.556 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.488 -9.279 0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.751 -8.509 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.229 -8.189 1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.950 -7.181 -1.532 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.291 -6.304 2.449 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.155 -4.966 -1.651 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.177 -4.094 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.039 -3.423 0.281 1.00 0.00 H new ATOM 561 N GLY A 37 -1.962 -9.359 3.345 1.00 0.00 N ATOM 562 CA GLY A 37 -1.755 -9.201 4.766 1.00 0.00 C ATOM 563 C GLY A 37 -0.594 -10.049 5.254 1.00 0.00 C ATOM 564 O GLY A 37 0.217 -9.589 6.058 1.00 0.00 O ATOM 0 H GLY A 37 -2.882 -9.718 3.090 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.562 -8.152 4.993 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.662 -9.481 5.301 1.00 0.00 H new ATOM 568 N LYS A 38 -0.463 -11.268 4.726 1.00 0.00 N ATOM 569 CA LYS A 38 0.659 -12.118 5.127 1.00 0.00 C ATOM 570 C LYS A 38 1.954 -11.427 4.767 1.00 0.00 C ATOM 571 O LYS A 38 2.903 -11.385 5.567 1.00 0.00 O ATOM 572 CB LYS A 38 0.617 -13.501 4.457 1.00 0.00 C ATOM 573 CG LYS A 38 1.742 -14.372 5.050 1.00 0.00 C ATOM 574 CD LYS A 38 2.924 -14.462 4.073 1.00 0.00 C ATOM 575 CE LYS A 38 4.187 -14.873 4.843 1.00 0.00 C ATOM 576 NZ LYS A 38 4.386 -13.953 6.007 1.00 0.00 N ATOM 0 H LYS A 38 -1.098 -11.679 4.041 1.00 0.00 H new ATOM 0 HA LYS A 38 0.588 -12.275 6.203 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.352 -13.972 4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.744 -13.403 3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.077 -13.949 5.997 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.362 -15.371 5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.709 -15.189 3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.079 -13.501 3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.094 -15.902 5.191 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.055 -14.836 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.403 -13.801 6.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.925 -13.041 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.968 -14.377 6.860 1.00 0.00 H new ATOM 590 N LEU A 39 1.990 -10.860 3.571 1.00 0.00 N ATOM 591 CA LEU A 39 3.146 -10.096 3.138 1.00 0.00 C ATOM 592 C LEU A 39 3.320 -8.885 4.029 1.00 0.00 C ATOM 593 O LEU A 39 4.442 -8.538 4.412 1.00 0.00 O ATOM 594 CB LEU A 39 3.024 -9.661 1.666 1.00 0.00 C ATOM 595 CG LEU A 39 3.489 -10.785 0.713 1.00 0.00 C ATOM 596 CD1 LEU A 39 4.947 -11.172 1.015 1.00 0.00 C ATOM 597 CD2 LEU A 39 2.588 -12.016 0.846 1.00 0.00 C ATOM 0 H LEU A 39 1.235 -10.915 2.887 1.00 0.00 H new ATOM 0 HA LEU A 39 4.023 -10.738 3.218 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.989 -9.398 1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.623 -8.766 1.497 1.00 0.00 H new ATOM 0 HG LEU A 39 3.423 -10.412 -0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.261 -11.965 0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.590 -10.302 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.024 -11.524 2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.933 -12.795 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.626 -12.386 1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.562 -11.745 0.596 1.00 0.00 H new ATOM 609 N ALA A 40 2.207 -8.244 4.370 1.00 0.00 N ATOM 610 CA ALA A 40 2.256 -7.074 5.220 1.00 0.00 C ATOM 611 C ALA A 40 2.856 -7.427 6.562 1.00 0.00 C ATOM 612 O ALA A 40 3.725 -6.719 7.063 1.00 0.00 O ATOM 613 CB ALA A 40 0.870 -6.485 5.411 1.00 0.00 C ATOM 0 H ALA A 40 1.271 -8.517 4.071 1.00 0.00 H new ATOM 0 HA ALA A 40 2.884 -6.327 4.734 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.933 -5.607 6.054 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.460 -6.197 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.220 -7.227 5.874 1.00 0.00 H new ATOM 619 N LYS A 41 2.441 -8.560 7.110 1.00 0.00 N ATOM 620 CA LYS A 41 3.016 -9.052 8.353 1.00 0.00 C ATOM 621 C LYS A 41 4.481 -9.382 8.122 1.00 0.00 C ATOM 622 O LYS A 41 5.300 -9.316 9.040 1.00 0.00 O ATOM 623 CB LYS A 41 2.307 -10.332 8.832 1.00 0.00 C ATOM 624 CG LYS A 41 0.831 -10.072 9.185 1.00 0.00 C ATOM 625 CD LYS A 41 0.702 -9.043 10.322 1.00 0.00 C ATOM 626 CE LYS A 41 -0.682 -9.198 10.973 1.00 0.00 C ATOM 627 NZ LYS A 41 -1.176 -7.888 11.461 1.00 0.00 N ATOM 0 H LYS A 41 1.711 -9.154 6.715 1.00 0.00 H new ATOM 0 HA LYS A 41 2.898 -8.277 9.111 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.366 -11.093 8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.825 -10.729 9.705 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.302 -9.711 8.303 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.355 -11.007 9.482 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.487 -9.197 11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.825 -8.032 9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.386 -9.613 10.251 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.623 -9.903 11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.236 -7.904 12.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.521 -7.137 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.119 -7.702 11.063 1.00 0.00 H new ATOM 641 N GLU A 42 4.762 -9.897 6.935 1.00 0.00 N ATOM 642 CA GLU A 42 6.078 -10.420 6.606 1.00 0.00 C ATOM 643 C GLU A 42 7.097 -9.298 6.482 1.00 0.00 C ATOM 644 O GLU A 42 8.165 -9.344 7.095 1.00 0.00 O ATOM 645 CB GLU A 42 5.992 -11.155 5.248 1.00 0.00 C ATOM 646 CG GLU A 42 7.341 -11.806 4.880 1.00 0.00 C ATOM 647 CD GLU A 42 7.619 -13.026 5.736 1.00 0.00 C ATOM 648 OE1 GLU A 42 6.728 -13.457 6.436 1.00 0.00 O ATOM 649 OE2 GLU A 42 8.714 -13.528 5.667 1.00 0.00 O ATOM 0 H GLU A 42 4.086 -9.964 6.174 1.00 0.00 H new ATOM 0 HA GLU A 42 6.393 -11.095 7.402 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.217 -11.920 5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.700 -10.451 4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.334 -12.092 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.144 -11.080 5.007 1.00 0.00 H new ATOM 656 N LEU A 43 6.840 -8.387 5.574 1.00 0.00 N ATOM 657 CA LEU A 43 7.812 -7.360 5.229 1.00 0.00 C ATOM 658 C LEU A 43 7.648 -6.087 5.993 1.00 0.00 C ATOM 659 O LEU A 43 8.631 -5.493 6.443 1.00 0.00 O ATOM 660 CB LEU A 43 7.663 -7.023 3.769 1.00 0.00 C ATOM 661 CG LEU A 43 8.656 -7.814 2.961 1.00 0.00 C ATOM 662 CD1 LEU A 43 8.079 -8.021 1.587 1.00 0.00 C ATOM 663 CD2 LEU A 43 9.943 -7.003 2.863 1.00 0.00 C ATOM 0 H LEU A 43 5.964 -8.330 5.055 1.00 0.00 H new ATOM 0 HA LEU A 43 8.790 -7.773 5.476 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.649 -7.246 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.822 -5.956 3.614 1.00 0.00 H new ATOM 0 HG LEU A 43 8.865 -8.779 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.781 -8.593 0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.139 -8.567 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.899 -7.053 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.679 -7.557 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.737 -6.051 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.335 -6.820 3.864 1.00 0.00 H new ATOM 675 N SER A 44 6.470 -5.541 5.866 1.00 0.00 N ATOM 676 CA SER A 44 6.205 -4.183 6.257 1.00 0.00 C ATOM 677 C SER A 44 7.083 -3.699 7.402 1.00 0.00 C ATOM 678 O SER A 44 6.987 -4.192 8.529 1.00 0.00 O ATOM 679 CB SER A 44 4.763 -4.047 6.624 1.00 0.00 C ATOM 680 OG SER A 44 3.975 -4.685 5.644 1.00 0.00 O ATOM 0 H SER A 44 5.660 -6.030 5.485 1.00 0.00 H new ATOM 0 HA SER A 44 6.445 -3.552 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.580 -4.493 7.602 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.492 -2.994 6.698 1.00 0.00 H new ATOM 0 HG SER A 44 3.026 -4.533 5.837 1.00 0.00 H new ATOM 686 N ILE A 45 7.845 -2.656 7.139 1.00 0.00 N ATOM 687 CA ILE A 45 8.619 -2.006 8.180 1.00 0.00 C ATOM 688 C ILE A 45 7.706 -1.045 8.925 1.00 0.00 C ATOM 689 O ILE A 45 8.008 -0.600 10.038 1.00 0.00 O ATOM 690 CB ILE A 45 9.822 -1.265 7.578 1.00 0.00 C ATOM 691 CG1 ILE A 45 9.342 -0.200 6.589 1.00 0.00 C ATOM 692 CG2 ILE A 45 10.729 -2.261 6.841 1.00 0.00 C ATOM 693 CD1 ILE A 45 10.544 0.608 6.090 1.00 0.00 C ATOM 0 H ILE A 45 7.945 -2.240 6.213 1.00 0.00 H new ATOM 0 HA ILE A 45 9.011 -2.751 8.872 1.00 0.00 H new ATOM 0 HB ILE A 45 10.378 -0.787 8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.832 -0.671 5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.620 0.460 7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.581 -1.731 6.415 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.085 -3.017 7.542 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.166 -2.743 6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.205 1.367 5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.034 1.091 6.935 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.250 -0.058 5.594 1.00 0.00 H new ATOM 705 N ASP A 46 6.538 -0.824 8.333 1.00 0.00 N ATOM 706 CA ASP A 46 5.490 -0.028 8.934 1.00 0.00 C ATOM 707 C ASP A 46 4.716 -0.895 9.910 1.00 0.00 C ATOM 708 O ASP A 46 3.810 -1.643 9.513 1.00 0.00 O ATOM 709 CB ASP A 46 4.549 0.484 7.829 1.00 0.00 C ATOM 710 CG ASP A 46 3.421 1.345 8.387 1.00 0.00 C ATOM 711 OD1 ASP A 46 3.163 1.289 9.570 1.00 0.00 O ATOM 712 OD2 ASP A 46 2.802 2.035 7.603 1.00 0.00 O ATOM 0 H ASP A 46 6.296 -1.198 7.415 1.00 0.00 H new ATOM 0 HA ASP A 46 5.918 0.823 9.463 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.122 1.064 7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.125 -0.365 7.293 1.00 0.00 H new ATOM 717 N GLY A 47 5.097 -0.826 11.168 1.00 0.00 N ATOM 718 CA GLY A 47 4.470 -1.642 12.199 1.00 0.00 C ATOM 719 C GLY A 47 3.000 -1.306 12.326 1.00 0.00 C ATOM 720 O GLY A 47 2.146 -2.198 12.366 1.00 0.00 O ATOM 0 H GLY A 47 5.839 -0.214 11.507 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.587 -2.698 11.955 1.00 0.00 H new ATOM 0 HA3 GLY A 47 4.970 -1.478 13.154 1.00 0.00 H new ATOM 724 N GLY A 48 2.690 -0.021 12.296 1.00 0.00 N ATOM 725 CA GLY A 48 1.309 0.413 12.392 1.00 0.00 C ATOM 726 C GLY A 48 0.487 -0.261 11.320 1.00 0.00 C ATOM 727 O GLY A 48 -0.557 -0.851 11.603 1.00 0.00 O ATOM 0 H GLY A 48 3.370 0.734 12.207 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.909 0.170 13.377 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.250 1.496 12.282 1.00 0.00 H new ATOM 731 N SER A 49 1.015 -0.278 10.119 1.00 0.00 N ATOM 732 CA SER A 49 0.392 -0.978 9.021 1.00 0.00 C ATOM 733 C SER A 49 0.464 -2.490 9.233 1.00 0.00 C ATOM 734 O SER A 49 -0.447 -3.224 8.837 1.00 0.00 O ATOM 735 CB SER A 49 1.051 -0.582 7.705 1.00 0.00 C ATOM 736 OG SER A 49 0.701 0.770 7.407 1.00 0.00 O ATOM 0 H SER A 49 1.887 0.192 9.876 1.00 0.00 H new ATOM 0 HA SER A 49 -0.660 -0.696 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 49 2.134 -0.685 7.778 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.722 -1.243 6.903 1.00 0.00 H new ATOM 0 HG SER A 49 1.239 1.376 7.958 1.00 0.00 H new ATOM 742 N ALA A 50 1.537 -2.954 9.877 1.00 0.00 N ATOM 743 CA ALA A 50 1.713 -4.381 10.137 1.00 0.00 C ATOM 744 C ALA A 50 0.609 -4.882 11.040 1.00 0.00 C ATOM 745 O ALA A 50 0.061 -5.964 10.832 1.00 0.00 O ATOM 746 CB ALA A 50 3.077 -4.661 10.775 1.00 0.00 C ATOM 0 H ALA A 50 2.293 -2.364 10.226 1.00 0.00 H new ATOM 0 HA ALA A 50 1.668 -4.908 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.181 -5.731 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.868 -4.329 10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.154 -4.123 11.720 1.00 0.00 H new ATOM 752 N LYS A 51 0.220 -4.056 11.983 1.00 0.00 N ATOM 753 CA LYS A 51 -0.899 -4.374 12.854 1.00 0.00 C ATOM 754 C LYS A 51 -2.176 -4.474 12.039 1.00 0.00 C ATOM 755 O LYS A 51 -3.083 -5.228 12.375 1.00 0.00 O ATOM 756 CB LYS A 51 -1.044 -3.338 13.970 1.00 0.00 C ATOM 757 CG LYS A 51 0.161 -3.405 14.926 1.00 0.00 C ATOM 758 CD LYS A 51 0.218 -4.783 15.618 1.00 0.00 C ATOM 759 CE LYS A 51 1.405 -4.821 16.595 1.00 0.00 C ATOM 760 NZ LYS A 51 1.134 -3.918 17.734 1.00 0.00 N ATOM 0 H LYS A 51 0.660 -3.155 12.171 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.706 -5.338 13.326 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.120 -2.339 13.540 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.966 -3.517 14.524 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.083 -3.230 14.372 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.084 -2.617 15.675 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.713 -4.971 16.153 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.322 -5.571 14.873 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.563 -5.838 16.953 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.319 -4.517 16.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.775 -4.149 18.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.288 -2.932 17.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.149 -4.037 18.044 1.00 0.00 H new ATOM 774 N ARG A 52 -2.209 -3.753 10.934 1.00 0.00 N ATOM 775 CA ARG A 52 -3.351 -3.780 10.028 1.00 0.00 C ATOM 776 C ARG A 52 -3.122 -4.756 8.891 1.00 0.00 C ATOM 777 O ARG A 52 -3.887 -4.785 7.930 1.00 0.00 O ATOM 778 CB ARG A 52 -3.575 -2.403 9.424 1.00 0.00 C ATOM 779 CG ARG A 52 -4.171 -1.444 10.445 1.00 0.00 C ATOM 780 CD ARG A 52 -4.302 -0.065 9.794 1.00 0.00 C ATOM 781 NE ARG A 52 -5.253 0.752 10.522 1.00 0.00 N ATOM 782 CZ ARG A 52 -6.565 0.679 10.267 1.00 0.00 C ATOM 783 NH1 ARG A 52 -7.005 -0.171 9.364 1.00 0.00 N ATOM 784 NH2 ARG A 52 -7.399 1.441 10.914 1.00 0.00 N ATOM 0 H ARG A 52 -1.453 -3.135 10.637 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.220 -4.090 10.609 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.629 -2.006 9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.241 -2.484 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.146 -1.801 10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.535 -1.387 11.328 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.330 0.428 9.774 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.625 -0.174 8.759 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.917 1.393 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.348 -0.769 8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.003 -0.232 9.165 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.053 2.095 11.616 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.398 1.384 10.719 1.00 0.00 H new ATOM 798 N ASP A 53 -2.033 -5.489 8.946 1.00 0.00 N ATOM 799 CA ASP A 53 -1.685 -6.398 7.861 1.00 0.00 C ATOM 800 C ASP A 53 -1.571 -5.589 6.588 1.00 0.00 C ATOM 801 O ASP A 53 -1.994 -6.024 5.515 1.00 0.00 O ATOM 802 CB ASP A 53 -2.766 -7.484 7.668 1.00 0.00 C ATOM 803 CG ASP A 53 -3.014 -8.262 8.944 1.00 0.00 C ATOM 804 OD1 ASP A 53 -3.072 -7.654 9.992 1.00 0.00 O ATOM 805 OD2 ASP A 53 -3.167 -9.455 8.859 1.00 0.00 O ATOM 0 H ASP A 53 -1.372 -5.479 9.723 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.745 -6.894 8.103 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.695 -7.018 7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.457 -8.169 6.879 1.00 0.00 H new ATOM 810 N GLY A 54 -1.125 -4.356 6.732 1.00 0.00 N ATOM 811 CA GLY A 54 -1.038 -3.437 5.611 1.00 0.00 C ATOM 812 C GLY A 54 -2.398 -2.831 5.293 1.00 0.00 C ATOM 813 O GLY A 54 -2.478 -1.812 4.618 1.00 0.00 O ATOM 0 H GLY A 54 -0.815 -3.964 7.621 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.328 -2.643 5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.656 -3.962 4.735 1.00 0.00 H new ATOM 817 N SER A 55 -3.460 -3.445 5.797 1.00 0.00 N ATOM 818 CA SER A 55 -4.818 -2.974 5.547 1.00 0.00 C ATOM 819 C SER A 55 -5.051 -1.607 6.196 1.00 0.00 C ATOM 820 O SER A 55 -5.638 -1.495 7.281 1.00 0.00 O ATOM 821 CB SER A 55 -5.824 -4.005 6.074 1.00 0.00 C ATOM 822 OG SER A 55 -5.242 -5.308 5.984 1.00 0.00 O ATOM 0 H SER A 55 -3.407 -4.276 6.386 1.00 0.00 H new ATOM 0 HA SER A 55 -4.959 -2.857 4.472 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.087 -3.780 7.108 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.746 -3.963 5.494 1.00 0.00 H new ATOM 0 HG SER A 55 -4.913 -5.581 6.866 1.00 0.00 H new ATOM 828 N LEU A 56 -4.606 -0.572 5.515 1.00 0.00 N ATOM 829 CA LEU A 56 -4.728 0.784 6.002 1.00 0.00 C ATOM 830 C LEU A 56 -6.186 1.132 6.155 1.00 0.00 C ATOM 831 O LEU A 56 -6.572 1.849 7.075 1.00 0.00 O ATOM 832 CB LEU A 56 -4.099 1.748 4.996 1.00 0.00 C ATOM 833 CG LEU A 56 -2.586 1.523 4.913 1.00 0.00 C ATOM 834 CD1 LEU A 56 -2.012 2.373 3.784 1.00 0.00 C ATOM 835 CD2 LEU A 56 -1.929 1.926 6.232 1.00 0.00 C ATOM 0 H LEU A 56 -4.149 -0.648 4.606 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.220 0.866 6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.549 1.603 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.304 2.777 5.292 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.389 0.469 4.720 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.935 2.216 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.476 2.086 2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.214 3.426 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.853 1.764 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.126 2.980 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.339 1.322 7.042 1.00 0.00 H new ATOM 847 N GLY A 57 -6.969 0.707 5.190 1.00 0.00 N ATOM 848 CA GLY A 57 -8.365 1.071 5.149 1.00 0.00 C ATOM 849 C GLY A 57 -8.506 2.334 4.337 1.00 0.00 C ATOM 850 O GLY A 57 -7.841 2.478 3.313 1.00 0.00 O ATOM 0 H GLY A 57 -6.662 0.109 4.423 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.953 0.268 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.746 1.225 6.158 1.00 0.00 H new ATOM 854 N TYR A 58 -9.325 3.256 4.809 1.00 0.00 N ATOM 855 CA TYR A 58 -9.539 4.517 4.115 1.00 0.00 C ATOM 856 C TYR A 58 -8.451 5.503 4.490 1.00 0.00 C ATOM 857 O TYR A 58 -8.198 5.718 5.677 1.00 0.00 O ATOM 858 CB TYR A 58 -10.847 5.155 4.579 1.00 0.00 C ATOM 859 CG TYR A 58 -12.037 4.273 4.298 1.00 0.00 C ATOM 860 CD1 TYR A 58 -12.342 3.216 5.163 1.00 0.00 C ATOM 861 CD2 TYR A 58 -12.854 4.534 3.200 1.00 0.00 C ATOM 862 CE1 TYR A 58 -13.462 2.424 4.927 1.00 0.00 C ATOM 863 CE2 TYR A 58 -13.972 3.739 2.961 1.00 0.00 C ATOM 864 CZ TYR A 58 -14.279 2.686 3.824 1.00 0.00 C ATOM 865 OH TYR A 58 -15.388 1.911 3.589 1.00 0.00 O ATOM 0 H TYR A 58 -9.856 3.156 5.674 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.548 4.307 3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -10.791 5.359 5.648 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -10.980 6.114 4.078 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.708 3.015 6.014 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -12.620 5.352 2.535 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.699 1.609 5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -14.602 3.938 2.107 1.00 0.00 H new ATOM 0 HH TYR A 58 -15.970 2.361 2.941 1.00 0.00 H new ATOM 875 N PHE A 59 -7.951 6.226 3.515 1.00 0.00 N ATOM 876 CA PHE A 59 -7.063 7.349 3.788 1.00 0.00 C ATOM 877 C PHE A 59 -7.251 8.454 2.773 1.00 0.00 C ATOM 878 O PHE A 59 -7.586 8.197 1.608 1.00 0.00 O ATOM 879 CB PHE A 59 -5.602 6.902 3.842 1.00 0.00 C ATOM 880 CG PHE A 59 -5.260 6.199 2.564 1.00 0.00 C ATOM 881 CD1 PHE A 59 -4.800 6.917 1.455 1.00 0.00 C ATOM 882 CD2 PHE A 59 -5.412 4.818 2.492 1.00 0.00 C ATOM 883 CE1 PHE A 59 -4.490 6.237 0.271 1.00 0.00 C ATOM 884 CE2 PHE A 59 -5.107 4.145 1.321 1.00 0.00 C ATOM 885 CZ PHE A 59 -4.646 4.845 0.204 1.00 0.00 C ATOM 0 H PHE A 59 -8.139 6.063 2.526 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.327 7.745 4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -4.950 7.764 3.984 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.443 6.238 4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.685 7.989 1.512 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.769 4.270 3.351 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.131 6.783 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.226 3.073 1.271 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.411 4.316 -0.708 1.00 0.00 H new ATOM 895 N GLY A 60 -7.053 9.676 3.211 1.00 0.00 N ATOM 896 CA GLY A 60 -7.201 10.836 2.352 1.00 0.00 C ATOM 897 C GLY A 60 -5.845 11.301 1.851 1.00 0.00 C ATOM 898 O GLY A 60 -4.806 10.849 2.351 1.00 0.00 O ATOM 0 H GLY A 60 -6.785 9.897 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.843 10.590 1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.689 11.642 2.900 1.00 0.00 H new ATOM 902 N ARG A 61 -5.846 12.212 0.894 1.00 0.00 N ATOM 903 CA ARG A 61 -4.606 12.734 0.337 1.00 0.00 C ATOM 904 C ARG A 61 -4.020 13.802 1.247 1.00 0.00 C ATOM 905 O ARG A 61 -4.732 14.396 2.059 1.00 0.00 O ATOM 906 CB ARG A 61 -4.840 13.308 -1.059 1.00 0.00 C ATOM 907 CG ARG A 61 -5.324 12.197 -2.004 1.00 0.00 C ATOM 908 CD ARG A 61 -5.391 12.742 -3.430 1.00 0.00 C ATOM 909 NE ARG A 61 -6.303 13.883 -3.503 1.00 0.00 N ATOM 910 CZ ARG A 61 -7.611 13.753 -3.716 1.00 0.00 C ATOM 911 NH1 ARG A 61 -8.132 12.575 -3.871 1.00 0.00 N ATOM 912 NH2 ARG A 61 -8.365 14.812 -3.770 1.00 0.00 N ATOM 0 H ARG A 61 -6.692 12.608 0.484 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.897 11.910 0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.579 14.108 -1.014 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.918 13.747 -1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.646 11.345 -1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.306 11.840 -1.692 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.396 13.044 -3.757 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.726 11.958 -4.109 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.920 14.821 -3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.539 11.746 -3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.134 12.478 -4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.954 15.738 -3.649 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.367 14.717 -3.933 1.00 0.00 H new ATOM 926 N GLY A 62 -2.730 14.011 1.149 1.00 0.00 N ATOM 927 CA GLY A 62 -2.044 14.969 1.993 1.00 0.00 C ATOM 928 C GLY A 62 -1.261 14.240 3.067 1.00 0.00 C ATOM 929 O GLY A 62 -0.036 14.383 3.163 1.00 0.00 O ATOM 0 H GLY A 62 -2.125 13.526 0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.371 15.581 1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.765 15.645 2.452 1.00 0.00 H new ATOM 933 N LYS A 63 -1.953 13.355 3.781 1.00 0.00 N ATOM 934 CA LYS A 63 -1.307 12.495 4.768 1.00 0.00 C ATOM 935 C LYS A 63 -0.274 11.618 4.105 1.00 0.00 C ATOM 936 O LYS A 63 0.812 11.383 4.651 1.00 0.00 O ATOM 937 CB LYS A 63 -2.345 11.601 5.467 1.00 0.00 C ATOM 938 CG LYS A 63 -1.634 10.676 6.482 1.00 0.00 C ATOM 939 CD LYS A 63 -2.662 9.771 7.159 1.00 0.00 C ATOM 940 CE LYS A 63 -1.954 8.749 8.058 1.00 0.00 C ATOM 941 NZ LYS A 63 -1.226 9.424 9.161 1.00 0.00 N ATOM 0 H LYS A 63 -2.960 13.215 3.694 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.824 13.135 5.506 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.085 12.217 5.978 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.881 11.004 4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.882 10.072 5.974 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.112 11.273 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.352 10.371 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.255 9.254 6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.686 8.055 8.472 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.256 8.159 7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.899 8.714 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.407 9.935 8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.861 10.097 9.635 1.00 0.00 H new ATOM 955 N MET A 64 -0.658 11.050 2.985 1.00 0.00 N ATOM 956 CA MET A 64 0.178 10.107 2.281 1.00 0.00 C ATOM 957 C MET A 64 1.083 10.846 1.324 1.00 0.00 C ATOM 958 O MET A 64 0.696 11.865 0.765 1.00 0.00 O ATOM 959 CB MET A 64 -0.686 9.115 1.500 1.00 0.00 C ATOM 960 CG MET A 64 -1.941 8.755 2.311 1.00 0.00 C ATOM 961 SD MET A 64 -1.477 7.986 3.883 1.00 0.00 S ATOM 962 CE MET A 64 -1.671 6.263 3.364 1.00 0.00 C ATOM 0 H MET A 64 -1.557 11.229 2.538 1.00 0.00 H new ATOM 0 HA MET A 64 0.780 9.561 3.007 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.974 9.548 0.542 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.113 8.214 1.283 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.531 9.652 2.498 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.570 8.074 1.737 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.095 5.682 4.183 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.337 6.215 2.503 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.698 5.853 3.093 1.00 0.00 H new ATOM 972 N VAL A 65 2.264 10.319 1.105 1.00 0.00 N ATOM 973 CA VAL A 65 3.190 10.927 0.173 1.00 0.00 C ATOM 974 C VAL A 65 2.658 10.787 -1.255 1.00 0.00 C ATOM 975 O VAL A 65 2.051 9.765 -1.604 1.00 0.00 O ATOM 976 CB VAL A 65 4.588 10.303 0.318 1.00 0.00 C ATOM 977 CG1 VAL A 65 5.094 10.531 1.744 1.00 0.00 C ATOM 978 CG2 VAL A 65 4.529 8.792 0.039 1.00 0.00 C ATOM 0 H VAL A 65 2.608 9.472 1.557 1.00 0.00 H new ATOM 0 HA VAL A 65 3.281 11.989 0.399 1.00 0.00 H new ATOM 0 HB VAL A 65 5.262 10.771 -0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.085 10.091 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.148 11.601 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.409 10.064 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.525 8.363 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.852 8.317 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.168 8.623 -0.975 1.00 0.00 H new ATOM 988 N LYS A 66 2.806 11.845 -2.044 1.00 0.00 N ATOM 989 CA LYS A 66 2.247 11.876 -3.395 1.00 0.00 C ATOM 990 C LYS A 66 2.497 10.569 -4.155 1.00 0.00 C ATOM 991 O LYS A 66 1.595 10.058 -4.827 1.00 0.00 O ATOM 992 CB LYS A 66 2.784 13.079 -4.176 1.00 0.00 C ATOM 993 CG LYS A 66 2.289 14.381 -3.512 1.00 0.00 C ATOM 994 CD LYS A 66 0.977 14.842 -4.171 1.00 0.00 C ATOM 995 CE LYS A 66 0.191 15.737 -3.199 1.00 0.00 C ATOM 996 NZ LYS A 66 -0.131 14.974 -1.961 1.00 0.00 N ATOM 0 H LYS A 66 3.307 12.692 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 66 1.167 11.983 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.874 13.058 -4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.447 13.035 -5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.132 14.218 -2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.047 15.159 -3.608 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.193 15.389 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.376 13.977 -4.450 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.777 16.622 -2.950 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.727 16.085 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.070 15.256 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.131 13.955 -2.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.583 15.177 -1.232 1.00 0.00 H new ATOM 1010 N PRO A 67 3.675 9.988 -4.035 1.00 0.00 N ATOM 1011 CA PRO A 67 3.936 8.669 -4.691 1.00 0.00 C ATOM 1012 C PRO A 67 2.900 7.640 -4.246 1.00 0.00 C ATOM 1013 O PRO A 67 2.319 6.906 -5.061 1.00 0.00 O ATOM 1014 CB PRO A 67 5.315 8.283 -4.144 1.00 0.00 C ATOM 1015 CG PRO A 67 6.014 9.578 -3.867 1.00 0.00 C ATOM 1016 CD PRO A 67 4.928 10.616 -3.556 1.00 0.00 C ATOM 0 HA PRO A 67 3.889 8.713 -5.779 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.224 7.685 -3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 67 5.870 7.684 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 67 6.700 9.474 -3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.608 9.887 -4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 67 4.881 10.835 -2.489 1.00 0.00 H new ATOM 0 HD3 PRO A 67 5.121 11.559 -4.067 1.00 0.00 H new ATOM 1024 N PHE A 68 2.648 7.633 -2.950 1.00 0.00 N ATOM 1025 CA PHE A 68 1.672 6.746 -2.347 1.00 0.00 C ATOM 1026 C PHE A 68 0.283 7.042 -2.886 1.00 0.00 C ATOM 1027 O PHE A 68 -0.470 6.134 -3.250 1.00 0.00 O ATOM 1028 CB PHE A 68 1.691 6.912 -0.829 1.00 0.00 C ATOM 1029 CG PHE A 68 0.870 5.830 -0.185 1.00 0.00 C ATOM 1030 CD1 PHE A 68 -0.510 5.987 -0.024 1.00 0.00 C ATOM 1031 CD2 PHE A 68 1.498 4.666 0.268 1.00 0.00 C ATOM 1032 CE1 PHE A 68 -1.254 4.976 0.584 1.00 0.00 C ATOM 1033 CE2 PHE A 68 0.752 3.664 0.872 1.00 0.00 C ATOM 1034 CZ PHE A 68 -0.624 3.815 1.033 1.00 0.00 C ATOM 0 H PHE A 68 3.117 8.246 -2.283 1.00 0.00 H new ATOM 0 HA PHE A 68 1.929 5.717 -2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.717 6.869 -0.463 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.296 7.891 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.998 6.887 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.565 4.547 0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.321 5.092 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.239 2.764 1.218 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.202 3.034 1.505 1.00 0.00 H new ATOM 1044 N GLU A 69 -0.056 8.323 -2.929 1.00 0.00 N ATOM 1045 CA GLU A 69 -1.369 8.752 -3.391 1.00 0.00 C ATOM 1046 C GLU A 69 -1.563 8.348 -4.834 1.00 0.00 C ATOM 1047 O GLU A 69 -2.599 7.784 -5.206 1.00 0.00 O ATOM 1048 CB GLU A 69 -1.479 10.281 -3.296 1.00 0.00 C ATOM 1049 CG GLU A 69 -1.509 10.731 -1.830 1.00 0.00 C ATOM 1050 CD GLU A 69 -1.480 12.254 -1.735 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -1.326 12.905 -2.756 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -1.592 12.754 -0.654 1.00 0.00 O ATOM 0 H GLU A 69 0.562 9.085 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.129 8.282 -2.767 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.635 10.744 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.383 10.618 -3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.407 10.348 -1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.655 10.312 -1.298 1.00 0.00 H new ATOM 1059 N ASP A 70 -0.548 8.602 -5.636 1.00 0.00 N ATOM 1060 CA ASP A 70 -0.613 8.275 -7.041 1.00 0.00 C ATOM 1061 C ASP A 70 -0.848 6.792 -7.219 1.00 0.00 C ATOM 1062 O ASP A 70 -1.723 6.380 -7.975 1.00 0.00 O ATOM 1063 CB ASP A 70 0.689 8.685 -7.737 1.00 0.00 C ATOM 1064 CG ASP A 70 0.603 8.394 -9.217 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -0.260 8.954 -9.857 1.00 0.00 O ATOM 1066 OD2 ASP A 70 1.395 7.616 -9.696 1.00 0.00 O ATOM 0 H ASP A 70 0.327 9.032 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 70 -1.442 8.821 -7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.876 9.747 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.529 8.144 -7.301 1.00 0.00 H new ATOM 1071 N ALA A 71 -0.105 5.991 -6.479 1.00 0.00 N ATOM 1072 CA ALA A 71 -0.264 4.550 -6.554 1.00 0.00 C ATOM 1073 C ALA A 71 -1.674 4.128 -6.154 1.00 0.00 C ATOM 1074 O ALA A 71 -2.293 3.293 -6.819 1.00 0.00 O ATOM 1075 CB ALA A 71 0.769 3.851 -5.663 1.00 0.00 C ATOM 0 H ALA A 71 0.609 6.309 -5.824 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.101 4.249 -7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.636 2.771 -5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.773 4.115 -5.995 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.633 4.169 -4.629 1.00 0.00 H new ATOM 1081 N ALA A 72 -2.164 4.678 -5.046 1.00 0.00 N ATOM 1082 CA ALA A 72 -3.476 4.305 -4.530 1.00 0.00 C ATOM 1083 C ALA A 72 -4.593 4.639 -5.512 1.00 0.00 C ATOM 1084 O ALA A 72 -5.462 3.809 -5.782 1.00 0.00 O ATOM 1085 CB ALA A 72 -3.734 4.986 -3.188 1.00 0.00 C ATOM 0 H ALA A 72 -1.674 5.380 -4.491 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.474 3.224 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.717 4.697 -2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.971 4.680 -2.472 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -3.698 6.068 -3.316 1.00 0.00 H new ATOM 1091 N PHE A 73 -4.590 5.863 -6.018 1.00 0.00 N ATOM 1092 CA PHE A 73 -5.631 6.290 -6.947 1.00 0.00 C ATOM 1093 C PHE A 73 -5.556 5.552 -8.275 1.00 0.00 C ATOM 1094 O PHE A 73 -6.592 5.215 -8.869 1.00 0.00 O ATOM 1095 CB PHE A 73 -5.636 7.812 -7.144 1.00 0.00 C ATOM 1096 CG PHE A 73 -6.298 8.461 -5.944 1.00 0.00 C ATOM 1097 CD1 PHE A 73 -5.548 8.774 -4.807 1.00 0.00 C ATOM 1098 CD2 PHE A 73 -7.671 8.740 -5.971 1.00 0.00 C ATOM 1099 CE1 PHE A 73 -6.168 9.360 -3.701 1.00 0.00 C ATOM 1100 CE2 PHE A 73 -8.286 9.331 -4.865 1.00 0.00 C ATOM 1101 CZ PHE A 73 -7.534 9.640 -3.729 1.00 0.00 C ATOM 0 H PHE A 73 -3.888 6.572 -5.806 1.00 0.00 H new ATOM 0 HA PHE A 73 -6.583 6.022 -6.490 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -4.617 8.181 -7.257 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.172 8.072 -8.057 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.489 8.563 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -8.254 8.498 -6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.588 9.597 -2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.343 9.549 -4.888 1.00 0.00 H new ATOM 0 HZ PHE A 73 -8.010 10.095 -2.873 1.00 0.00 H new ATOM 1111 N ARG A 74 -4.348 5.299 -8.753 1.00 0.00 N ATOM 1112 CA ARG A 74 -4.191 4.608 -10.028 1.00 0.00 C ATOM 1113 C ARG A 74 -4.799 3.210 -9.980 1.00 0.00 C ATOM 1114 O ARG A 74 -5.484 2.796 -10.912 1.00 0.00 O ATOM 1115 CB ARG A 74 -2.701 4.481 -10.368 1.00 0.00 C ATOM 1116 CG ARG A 74 -2.112 5.843 -10.765 1.00 0.00 C ATOM 1117 CD ARG A 74 -0.594 5.692 -10.897 1.00 0.00 C ATOM 1118 NE ARG A 74 -0.257 4.726 -11.948 1.00 0.00 N ATOM 1119 CZ ARG A 74 0.664 3.766 -11.774 1.00 0.00 C ATOM 1120 NH1 ARG A 74 1.216 3.585 -10.605 1.00 0.00 N ATOM 1121 NH2 ARG A 74 0.990 2.992 -12.764 1.00 0.00 N ATOM 0 H ARG A 74 -3.476 5.555 -8.290 1.00 0.00 H new ATOM 0 HA ARG A 74 -4.709 5.193 -10.789 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -2.160 4.083 -9.509 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.569 3.771 -11.185 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.543 6.183 -11.707 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.355 6.595 -10.014 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.146 6.659 -11.128 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.172 5.364 -9.947 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.741 4.786 -12.844 1.00 0.00 H new ATOM 0 HH11 ARG A 74 0.948 4.175 -9.817 1.00 0.00 H new ATOM 0 HH12 ARG A 74 1.916 2.853 -10.479 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.546 3.114 -13.674 1.00 0.00 H new ATOM 0 HH22 ARG A 74 1.690 2.262 -12.632 1.00 0.00 H new ATOM 1135 N LEU A 75 -4.495 2.464 -8.926 1.00 0.00 N ATOM 1136 CA LEU A 75 -4.956 1.073 -8.826 1.00 0.00 C ATOM 1137 C LEU A 75 -6.173 0.871 -7.942 1.00 0.00 C ATOM 1138 O LEU A 75 -6.313 -0.177 -7.301 1.00 0.00 O ATOM 1139 CB LEU A 75 -3.828 0.111 -8.466 1.00 0.00 C ATOM 1140 CG LEU A 75 -2.720 0.203 -9.529 1.00 0.00 C ATOM 1141 CD1 LEU A 75 -1.693 -0.892 -9.284 1.00 0.00 C ATOM 1142 CD2 LEU A 75 -3.306 0.042 -10.936 1.00 0.00 C ATOM 0 H LEU A 75 -3.939 2.787 -8.134 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.293 0.827 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.426 0.356 -7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.209 -0.909 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.247 1.182 -9.456 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.907 -0.828 -10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.257 -0.767 -8.293 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.178 -1.866 -9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.506 0.110 -11.673 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.793 -0.929 -11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -4.036 0.831 -11.119 1.00 0.00 H new ATOM 1154 N GLN A 76 -7.071 1.831 -7.933 1.00 0.00 N ATOM 1155 CA GLN A 76 -8.284 1.713 -7.132 1.00 0.00 C ATOM 1156 C GLN A 76 -9.020 0.411 -7.448 1.00 0.00 C ATOM 1157 O GLN A 76 -9.812 -0.079 -6.640 1.00 0.00 O ATOM 1158 CB GLN A 76 -9.185 2.926 -7.340 1.00 0.00 C ATOM 1159 CG GLN A 76 -8.518 4.144 -6.697 1.00 0.00 C ATOM 1160 CD GLN A 76 -9.268 5.405 -7.073 1.00 0.00 C ATOM 1161 OE1 GLN A 76 -10.250 5.761 -6.431 1.00 0.00 O ATOM 1162 NE2 GLN A 76 -8.858 6.110 -8.073 1.00 0.00 N ATOM 0 H GLN A 76 -6.992 2.698 -8.464 1.00 0.00 H new ATOM 0 HA GLN A 76 -8.001 1.684 -6.080 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -9.346 3.100 -8.404 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -10.164 2.751 -6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.502 4.030 -5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -7.481 4.216 -7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.041 5.812 -8.606 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.351 6.965 -8.330 1.00 0.00 H new ATOM 1171 N VAL A 77 -8.718 -0.152 -8.608 1.00 0.00 N ATOM 1172 CA VAL A 77 -9.283 -1.419 -9.054 1.00 0.00 C ATOM 1173 C VAL A 77 -8.927 -2.566 -8.090 1.00 0.00 C ATOM 1174 O VAL A 77 -9.648 -3.564 -8.010 1.00 0.00 O ATOM 1175 CB VAL A 77 -8.804 -1.734 -10.487 1.00 0.00 C ATOM 1176 CG1 VAL A 77 -7.277 -1.897 -10.514 1.00 0.00 C ATOM 1177 CG2 VAL A 77 -9.461 -3.027 -10.995 1.00 0.00 C ATOM 0 H VAL A 77 -8.066 0.262 -9.275 1.00 0.00 H new ATOM 0 HA VAL A 77 -10.369 -1.326 -9.058 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.090 -0.905 -11.134 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.953 -2.119 -11.531 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.806 -0.974 -10.176 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.987 -2.714 -9.854 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.115 -3.238 -12.007 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.191 -3.855 -10.339 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -10.544 -2.907 -11.000 1.00 0.00 H new ATOM 1187 N GLY A 78 -7.809 -2.433 -7.381 1.00 0.00 N ATOM 1188 CA GLY A 78 -7.382 -3.472 -6.435 1.00 0.00 C ATOM 1189 C GLY A 78 -6.093 -4.139 -6.880 1.00 0.00 C ATOM 1190 O GLY A 78 -5.641 -5.103 -6.266 1.00 0.00 O ATOM 0 H GLY A 78 -7.186 -1.628 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.242 -3.031 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.167 -4.223 -6.340 1.00 0.00 H new ATOM 1194 N GLU A 79 -5.507 -3.619 -7.935 1.00 0.00 N ATOM 1195 CA GLU A 79 -4.262 -4.155 -8.459 1.00 0.00 C ATOM 1196 C GLU A 79 -3.090 -3.675 -7.605 1.00 0.00 C ATOM 1197 O GLU A 79 -3.180 -2.633 -6.953 1.00 0.00 O ATOM 1198 CB GLU A 79 -4.090 -3.721 -9.922 1.00 0.00 C ATOM 1199 CG GLU A 79 -2.860 -4.390 -10.535 1.00 0.00 C ATOM 1200 CD GLU A 79 -2.733 -3.992 -11.985 1.00 0.00 C ATOM 1201 OE1 GLU A 79 -2.339 -2.880 -12.240 1.00 0.00 O ATOM 1202 OE2 GLU A 79 -3.030 -4.808 -12.831 1.00 0.00 O ATOM 0 H GLU A 79 -5.872 -2.820 -8.453 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.287 -5.244 -8.422 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.979 -3.987 -10.494 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.988 -2.637 -9.977 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.964 -4.097 -9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.944 -5.474 -10.451 1.00 0.00 H new ATOM 1209 N VAL A 80 -2.007 -4.447 -7.583 1.00 0.00 N ATOM 1210 CA VAL A 80 -0.846 -4.076 -6.784 1.00 0.00 C ATOM 1211 C VAL A 80 -0.091 -2.946 -7.468 1.00 0.00 C ATOM 1212 O VAL A 80 0.216 -3.019 -8.667 1.00 0.00 O ATOM 1213 CB VAL A 80 0.098 -5.280 -6.586 1.00 0.00 C ATOM 1214 CG1 VAL A 80 1.166 -4.932 -5.551 1.00 0.00 C ATOM 1215 CG2 VAL A 80 -0.680 -6.496 -6.095 1.00 0.00 C ATOM 0 H VAL A 80 -1.910 -5.320 -8.101 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.197 -3.747 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 80 0.563 -5.512 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.831 -5.785 -5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.743 -4.074 -5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.688 -4.688 -4.602 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.003 -7.335 -5.961 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.158 -6.262 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.441 -6.761 -6.828 1.00 0.00 H new ATOM 1225 N SER A 81 0.216 -1.915 -6.713 1.00 0.00 N ATOM 1226 CA SER A 81 0.955 -0.786 -7.243 1.00 0.00 C ATOM 1227 C SER A 81 2.401 -1.167 -7.479 1.00 0.00 C ATOM 1228 O SER A 81 2.961 -2.002 -6.741 1.00 0.00 O ATOM 1229 CB SER A 81 0.887 0.382 -6.255 1.00 0.00 C ATOM 1230 OG SER A 81 1.578 0.029 -5.048 1.00 0.00 O ATOM 0 H SER A 81 -0.034 -1.833 -5.728 1.00 0.00 H new ATOM 0 HA SER A 81 0.510 -0.489 -8.192 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.336 1.272 -6.696 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.152 0.625 -6.034 1.00 0.00 H new ATOM 0 HG SER A 81 1.816 0.843 -4.557 1.00 0.00 H new ATOM 1236 N GLU A 82 3.051 -0.481 -8.404 1.00 0.00 N ATOM 1237 CA GLU A 82 4.473 -0.671 -8.568 1.00 0.00 C ATOM 1238 C GLU A 82 5.145 -0.224 -7.290 1.00 0.00 C ATOM 1239 O GLU A 82 4.533 0.491 -6.490 1.00 0.00 O ATOM 1240 CB GLU A 82 4.990 0.153 -9.749 1.00 0.00 C ATOM 1241 CG GLU A 82 4.078 -0.073 -10.959 1.00 0.00 C ATOM 1242 CD GLU A 82 3.081 1.063 -11.111 1.00 0.00 C ATOM 1243 OE1 GLU A 82 2.672 1.626 -10.109 1.00 0.00 O ATOM 1244 OE2 GLU A 82 2.732 1.365 -12.224 1.00 0.00 O ATOM 0 H GLU A 82 2.625 0.196 -9.037 1.00 0.00 H new ATOM 0 HA GLU A 82 4.693 -1.719 -8.771 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.012 1.211 -9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.013 -0.137 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.681 -0.155 -11.863 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.544 -1.017 -10.845 1.00 0.00 H new ATOM 1251 N PRO A 83 6.377 -0.564 -7.084 1.00 0.00 N ATOM 1252 CA PRO A 83 7.065 -0.104 -5.859 1.00 0.00 C ATOM 1253 C PRO A 83 7.003 1.413 -5.781 1.00 0.00 C ATOM 1254 O PRO A 83 7.296 2.104 -6.764 1.00 0.00 O ATOM 1255 CB PRO A 83 8.505 -0.571 -6.071 1.00 0.00 C ATOM 1256 CG PRO A 83 8.392 -1.785 -6.938 1.00 0.00 C ATOM 1257 CD PRO A 83 7.158 -1.570 -7.823 1.00 0.00 C ATOM 0 HA PRO A 83 6.627 -0.487 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.105 0.203 -6.551 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.988 -0.806 -5.123 1.00 0.00 H new ATOM 0 HG2 PRO A 83 9.288 -1.914 -7.545 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.285 -2.686 -6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 83 7.433 -1.215 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.596 -2.494 -7.959 1.00 0.00 H new ATOM 1265 N VAL A 84 6.613 1.923 -4.634 1.00 0.00 N ATOM 1266 CA VAL A 84 6.488 3.351 -4.442 1.00 0.00 C ATOM 1267 C VAL A 84 7.634 3.841 -3.591 1.00 0.00 C ATOM 1268 O VAL A 84 7.684 3.556 -2.401 1.00 0.00 O ATOM 1269 CB VAL A 84 5.152 3.668 -3.747 1.00 0.00 C ATOM 1270 CG1 VAL A 84 4.957 5.180 -3.635 1.00 0.00 C ATOM 1271 CG2 VAL A 84 3.990 3.066 -4.539 1.00 0.00 C ATOM 0 H VAL A 84 6.375 1.365 -3.814 1.00 0.00 H new ATOM 0 HA VAL A 84 6.512 3.852 -5.410 1.00 0.00 H new ATOM 0 HB VAL A 84 5.173 3.233 -2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.008 5.389 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.772 5.610 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.952 5.621 -4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.050 3.297 -4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.978 3.487 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.113 1.985 -4.600 1.00 0.00 H new ATOM 1281 N LYS A 85 8.552 4.570 -4.195 1.00 0.00 N ATOM 1282 CA LYS A 85 9.698 5.083 -3.462 1.00 0.00 C ATOM 1283 C LYS A 85 9.289 6.324 -2.702 1.00 0.00 C ATOM 1284 O LYS A 85 8.582 7.177 -3.241 1.00 0.00 O ATOM 1285 CB LYS A 85 10.832 5.422 -4.429 1.00 0.00 C ATOM 1286 CG LYS A 85 12.106 5.755 -3.648 1.00 0.00 C ATOM 1287 CD LYS A 85 13.236 6.028 -4.634 1.00 0.00 C ATOM 1288 CE LYS A 85 14.525 6.333 -3.869 1.00 0.00 C ATOM 1289 NZ LYS A 85 15.151 5.059 -3.450 1.00 0.00 N ATOM 0 H LYS A 85 8.530 4.820 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 85 10.047 4.323 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.015 4.580 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.547 6.269 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.942 6.626 -3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.372 4.927 -2.991 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.382 5.164 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 85 12.976 6.869 -5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.211 6.900 -4.498 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.308 6.950 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.088 4.965 -2.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.655 4.264 -3.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.150 5.052 -3.738 1.00 0.00 H new ATOM 1303 N SER A 86 9.676 6.407 -1.450 1.00 0.00 N ATOM 1304 CA SER A 86 9.290 7.524 -0.623 1.00 0.00 C ATOM 1305 C SER A 86 10.323 7.740 0.464 1.00 0.00 C ATOM 1306 O SER A 86 11.142 6.852 0.744 1.00 0.00 O ATOM 1307 CB SER A 86 7.939 7.232 0.022 1.00 0.00 C ATOM 1308 OG SER A 86 8.159 6.474 1.207 1.00 0.00 O ATOM 0 H SER A 86 10.259 5.713 -0.982 1.00 0.00 H new ATOM 0 HA SER A 86 9.221 8.420 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.423 8.163 0.258 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.301 6.680 -0.668 1.00 0.00 H new ATOM 0 HG SER A 86 7.373 5.919 1.391 1.00 0.00 H new ATOM 1314 N GLU A 87 10.222 8.862 1.143 1.00 0.00 N ATOM 1315 CA GLU A 87 11.071 9.136 2.289 1.00 0.00 C ATOM 1316 C GLU A 87 10.837 8.072 3.359 1.00 0.00 C ATOM 1317 O GLU A 87 11.743 7.710 4.110 1.00 0.00 O ATOM 1318 CB GLU A 87 10.774 10.527 2.856 1.00 0.00 C ATOM 1319 CG GLU A 87 9.257 10.723 3.037 1.00 0.00 C ATOM 1320 CD GLU A 87 8.874 12.129 2.660 1.00 0.00 C ATOM 1321 OE1 GLU A 87 9.018 12.467 1.505 1.00 0.00 O ATOM 1322 OE2 GLU A 87 8.456 12.859 3.527 1.00 0.00 O ATOM 0 H GLU A 87 9.558 9.604 0.922 1.00 0.00 H new ATOM 0 HA GLU A 87 12.114 9.110 1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.280 10.651 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 87 11.168 11.291 2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.713 10.010 2.418 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.977 10.525 4.072 1.00 0.00 H new ATOM 1329 N PHE A 88 9.624 7.550 3.388 1.00 0.00 N ATOM 1330 CA PHE A 88 9.267 6.463 4.286 1.00 0.00 C ATOM 1331 C PHE A 88 10.008 5.199 3.908 1.00 0.00 C ATOM 1332 O PHE A 88 10.388 4.407 4.776 1.00 0.00 O ATOM 1333 CB PHE A 88 7.757 6.194 4.231 1.00 0.00 C ATOM 1334 CG PHE A 88 7.000 7.258 4.998 1.00 0.00 C ATOM 1335 CD1 PHE A 88 6.918 7.190 6.397 1.00 0.00 C ATOM 1336 CD2 PHE A 88 6.379 8.311 4.316 1.00 0.00 C ATOM 1337 CE1 PHE A 88 6.214 8.169 7.108 1.00 0.00 C ATOM 1338 CE2 PHE A 88 5.676 9.290 5.032 1.00 0.00 C ATOM 1339 CZ PHE A 88 5.596 9.216 6.426 1.00 0.00 C ATOM 0 H PHE A 88 8.859 7.866 2.792 1.00 0.00 H new ATOM 0 HA PHE A 88 9.546 6.758 5.298 1.00 0.00 H new ATOM 0 HB2 PHE A 88 7.422 6.178 3.194 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.541 5.212 4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.399 6.381 6.926 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.441 8.369 3.239 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.150 8.113 8.185 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.196 10.102 4.506 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.054 9.972 6.976 1.00 0.00 H new ATOM 1349 N GLY A 89 10.140 4.983 2.617 1.00 0.00 N ATOM 1350 CA GLY A 89 10.759 3.777 2.088 1.00 0.00 C ATOM 1351 C GLY A 89 10.075 3.405 0.794 1.00 0.00 C ATOM 1352 O GLY A 89 9.489 4.268 0.129 1.00 0.00 O ATOM 0 H GLY A 89 9.823 5.636 1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.823 3.942 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 89 10.674 2.963 2.807 1.00 0.00 H new ATOM 1356 N TYR A 90 10.041 2.115 0.486 1.00 0.00 N ATOM 1357 CA TYR A 90 9.324 1.646 -0.686 1.00 0.00 C ATOM 1358 C TYR A 90 7.994 1.049 -0.277 1.00 0.00 C ATOM 1359 O TYR A 90 7.951 0.144 0.551 1.00 0.00 O ATOM 1360 CB TYR A 90 10.149 0.594 -1.441 1.00 0.00 C ATOM 1361 CG TYR A 90 11.245 1.269 -2.234 1.00 0.00 C ATOM 1362 CD1 TYR A 90 10.997 1.683 -3.545 1.00 0.00 C ATOM 1363 CD2 TYR A 90 12.504 1.475 -1.665 1.00 0.00 C ATOM 1364 CE1 TYR A 90 12.001 2.303 -4.286 1.00 0.00 C ATOM 1365 CE2 TYR A 90 13.514 2.098 -2.411 1.00 0.00 C ATOM 1366 CZ TYR A 90 13.259 2.512 -3.721 1.00 0.00 C ATOM 1367 OH TYR A 90 14.252 3.121 -4.459 1.00 0.00 O ATOM 0 H TYR A 90 10.498 1.382 1.028 1.00 0.00 H new ATOM 0 HA TYR A 90 9.152 2.497 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.583 -0.115 -0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.503 0.024 -2.109 1.00 0.00 H new ATOM 0 HD1 TYR A 90 10.024 1.522 -3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.699 1.155 -0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 90 11.805 2.622 -5.299 1.00 0.00 H new ATOM 0 HE2 TYR A 90 14.488 2.258 -1.974 1.00 0.00 H new ATOM 0 HH TYR A 90 14.612 2.484 -5.111 1.00 0.00 H new ATOM 1377 N HIS A 91 6.909 1.534 -0.873 1.00 0.00 N ATOM 1378 CA HIS A 91 5.581 1.012 -0.561 1.00 0.00 C ATOM 1379 C HIS A 91 5.045 0.173 -1.689 1.00 0.00 C ATOM 1380 O HIS A 91 5.145 0.555 -2.861 1.00 0.00 O ATOM 1381 CB HIS A 91 4.553 2.131 -0.287 1.00 0.00 C ATOM 1382 CG HIS A 91 5.106 3.192 0.617 1.00 0.00 C ATOM 1383 ND1 HIS A 91 4.505 3.505 1.821 1.00 0.00 N ATOM 1384 CD2 HIS A 91 6.172 4.036 0.499 1.00 0.00 C ATOM 1385 CE1 HIS A 91 5.208 4.504 2.373 1.00 0.00 C ATOM 1386 NE2 HIS A 91 6.229 4.866 1.607 1.00 0.00 N ATOM 0 H HIS A 91 6.921 2.280 -1.568 1.00 0.00 H new ATOM 0 HA HIS A 91 5.710 0.411 0.339 1.00 0.00 H new ATOM 0 HB2 HIS A 91 4.248 2.582 -1.231 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.659 1.700 0.164 1.00 0.00 H new ATOM 0 HD1 HIS A 91 3.678 3.058 2.217 1.00 0.00 H new ATOM 0 HD2 HIS A 91 6.864 4.054 -0.330 1.00 0.00 H new ATOM 0 HE1 HIS A 91 4.972 4.958 3.324 1.00 0.00 H new ATOM 1394 N VAL A 92 4.321 -0.857 -1.327 1.00 0.00 N ATOM 1395 CA VAL A 92 3.534 -1.618 -2.265 1.00 0.00 C ATOM 1396 C VAL A 92 2.085 -1.476 -1.841 1.00 0.00 C ATOM 1397 O VAL A 92 1.772 -1.642 -0.651 1.00 0.00 O ATOM 1398 CB VAL A 92 3.964 -3.086 -2.237 1.00 0.00 C ATOM 1399 CG1 VAL A 92 3.173 -3.875 -3.284 1.00 0.00 C ATOM 1400 CG2 VAL A 92 5.465 -3.185 -2.539 1.00 0.00 C ATOM 0 H VAL A 92 4.261 -1.193 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 92 3.672 -1.255 -3.283 1.00 0.00 H new ATOM 0 HB VAL A 92 3.766 -3.503 -1.250 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.482 -4.920 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.108 -3.806 -3.063 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.366 -3.461 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.772 -4.231 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.666 -2.766 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.025 -2.628 -1.788 1.00 0.00 H new ATOM 1410 N ILE A 93 1.225 -1.058 -2.758 1.00 0.00 N ATOM 1411 CA ILE A 93 -0.157 -0.776 -2.409 1.00 0.00 C ATOM 1412 C ILE A 93 -1.120 -1.684 -3.146 1.00 0.00 C ATOM 1413 O ILE A 93 -1.134 -1.719 -4.380 1.00 0.00 O ATOM 1414 CB ILE A 93 -0.498 0.693 -2.713 1.00 0.00 C ATOM 1415 CG1 ILE A 93 0.365 1.617 -1.853 1.00 0.00 C ATOM 1416 CG2 ILE A 93 -1.980 0.965 -2.412 1.00 0.00 C ATOM 1417 CD1 ILE A 93 0.169 3.063 -2.310 1.00 0.00 C ATOM 0 H ILE A 93 1.458 -0.908 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.265 -0.963 -1.341 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.301 0.885 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.092 1.515 -0.803 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.415 1.336 -1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.210 2.008 -2.631 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.602 0.318 -3.031 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.181 0.762 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.783 3.724 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.464 3.157 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.880 3.340 -2.202 1.00 0.00 H new ATOM 1429 N LYS A 94 -2.017 -2.299 -2.389 1.00 0.00 N ATOM 1430 CA LYS A 94 -3.137 -3.021 -2.960 1.00 0.00 C ATOM 1431 C LYS A 94 -4.418 -2.387 -2.464 1.00 0.00 C ATOM 1432 O LYS A 94 -4.493 -1.969 -1.307 1.00 0.00 O ATOM 1433 CB LYS A 94 -3.108 -4.515 -2.609 1.00 0.00 C ATOM 1434 CG LYS A 94 -4.293 -5.203 -3.312 1.00 0.00 C ATOM 1435 CD LYS A 94 -4.278 -6.701 -3.042 1.00 0.00 C ATOM 1436 CE LYS A 94 -5.467 -7.345 -3.778 1.00 0.00 C ATOM 1437 NZ LYS A 94 -5.444 -8.818 -3.582 1.00 0.00 N ATOM 0 H LYS A 94 -1.987 -2.310 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 94 -3.074 -2.957 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -2.166 -4.961 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.176 -4.652 -1.530 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.231 -4.774 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.242 -5.021 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.340 -7.138 -3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.347 -6.893 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -6.404 -6.934 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.419 -7.110 -4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.249 -9.247 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.556 -9.205 -3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.511 -9.034 -2.567 1.00 0.00 H new ATOM 1451 N ARG A 95 -5.413 -2.276 -3.325 1.00 0.00 N ATOM 1452 CA ARG A 95 -6.659 -1.636 -2.913 1.00 0.00 C ATOM 1453 C ARG A 95 -7.532 -2.567 -2.094 1.00 0.00 C ATOM 1454 O ARG A 95 -7.541 -3.777 -2.308 1.00 0.00 O ATOM 1455 CB ARG A 95 -7.441 -1.021 -4.079 1.00 0.00 C ATOM 1456 CG ARG A 95 -8.034 0.321 -3.612 1.00 0.00 C ATOM 1457 CD ARG A 95 -9.481 0.132 -3.170 1.00 0.00 C ATOM 1458 NE ARG A 95 -10.339 -0.181 -4.299 1.00 0.00 N ATOM 1459 CZ ARG A 95 -11.606 -0.549 -4.121 1.00 0.00 C ATOM 1460 NH1 ARG A 95 -12.078 -0.723 -2.908 1.00 0.00 N ATOM 1461 NH2 ARG A 95 -12.360 -0.761 -5.155 1.00 0.00 N ATOM 0 H ARG A 95 -5.391 -2.609 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 95 -6.363 -0.806 -2.272 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -6.786 -0.868 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -8.235 -1.695 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.444 0.721 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -7.985 1.050 -4.421 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.537 -0.670 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.836 1.039 -2.681 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.964 -0.118 -5.246 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -11.474 -0.576 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -13.049 -1.005 -2.774 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.981 -0.645 -6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.332 -1.043 -5.028 1.00 0.00 H new ATOM 1475 N LEU A 96 -8.209 -1.990 -1.119 1.00 0.00 N ATOM 1476 CA LEU A 96 -9.054 -2.716 -0.204 1.00 0.00 C ATOM 1477 C LEU A 96 -10.514 -2.328 -0.425 1.00 0.00 C ATOM 1478 O LEU A 96 -10.824 -1.170 -0.719 1.00 0.00 O ATOM 1479 CB LEU A 96 -8.630 -2.413 1.243 1.00 0.00 C ATOM 1480 CG LEU A 96 -9.558 -3.130 2.229 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -9.357 -4.640 2.117 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -9.232 -2.687 3.660 1.00 0.00 C ATOM 0 H LEU A 96 -8.183 -0.986 -0.942 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.948 -3.786 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -7.601 -2.734 1.403 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.660 -1.338 1.421 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.592 -2.878 1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.018 -5.148 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.588 -4.964 1.102 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.321 -4.887 2.350 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.894 -3.199 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.197 -2.937 3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.374 -1.610 3.749 1.00 0.00 H new ATOM 1494 N GLY A 97 -11.394 -3.302 -0.347 1.00 0.00 N ATOM 1495 CA GLY A 97 -12.821 -3.074 -0.549 1.00 0.00 C ATOM 1496 C GLY A 97 -13.609 -3.500 0.679 1.00 0.00 C ATOM 1497 O GLY A 97 -14.584 -2.857 0.984 1.00 0.00 O ATOM 1498 OXT GLY A 97 -13.225 -4.468 1.296 1.00 0.00 O ATOM 0 H GLY A 97 -11.150 -4.271 -0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -13.001 -2.019 -0.755 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.164 -3.632 -1.420 1.00 0.00 H new