USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 676 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 62 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-2.5) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0462) USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0807 (180deg=-0.494) USER MOD Single : A 21 GLN : amide:sc= -0.612 K(o=-0.61,f=-2.3) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -77:sc= 0.228 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.962 K(o=-0.96,f=-1.8) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -1.8! K(o=-1.8!,f=-0.67) USER MOD Single : A 51 LYS NZ :NH3+ -153:sc= -0.365 (180deg=-1.3) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc=-0.00952 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc=-0.00509 X(o=-0.0051,f=0) USER MOD Single : A 66 ASN : amide:sc= -6.74! C(o=-6.7!,f=-8.2!) USER MOD Single : A 68 GLN : amide:sc= -2.29 K(o=-2.3,f=-3.6!) USER MOD Single : A 69 LYS NZ :NH3+ -108:sc= -0.29 (180deg=-1.82!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -1.38 K(o=-1.4,f=-5.3!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 9.688 5.782 12.942 1.00 0.00 N ATOM 107 CA LYS A 10 8.272 5.537 13.187 1.00 0.00 C ATOM 108 C LYS A 10 7.770 4.366 12.349 1.00 0.00 C ATOM 109 O LYS A 10 8.404 3.973 11.369 1.00 0.00 O ATOM 110 CB LYS A 10 7.454 6.792 12.873 1.00 0.00 C ATOM 111 CG LYS A 10 6.107 6.830 13.574 1.00 0.00 C ATOM 112 CD LYS A 10 5.473 8.208 13.487 1.00 0.00 C ATOM 113 CE LYS A 10 6.300 9.250 14.225 1.00 0.00 C ATOM 114 NZ LYS A 10 5.498 10.459 14.561 1.00 0.00 N ATOM 0 HA LYS A 10 8.149 5.286 14.240 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.029 7.672 13.161 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.296 6.853 11.796 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.441 6.093 13.125 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.232 6.551 14.620 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.371 8.497 12.441 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.468 8.175 13.908 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.700 8.814 15.140 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.152 9.539 13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.097 11.145 15.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.137 10.890 13.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.699 10.188 15.169 1.00 0.00 H new ATOM 128 N LEU A 11 6.626 3.814 12.738 1.00 0.00 N ATOM 129 CA LEU A 11 6.037 2.688 12.021 1.00 0.00 C ATOM 130 C LEU A 11 4.602 2.998 11.606 1.00 0.00 C ATOM 131 O LEU A 11 3.812 3.512 12.398 1.00 0.00 O ATOM 132 CB LEU A 11 6.067 1.431 12.892 1.00 0.00 C ATOM 133 CG LEU A 11 7.417 0.722 13.000 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.992 0.455 11.617 1.00 0.00 C ATOM 135 CD2 LEU A 11 8.388 1.546 13.833 1.00 0.00 C ATOM 0 H LEU A 11 6.088 4.128 13.546 1.00 0.00 H new ATOM 0 HA LEU A 11 6.627 2.513 11.121 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.740 1.701 13.896 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.338 0.723 12.498 1.00 0.00 H new ATOM 0 HG LEU A 11 7.264 -0.235 13.499 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.953 -0.050 11.714 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.305 -0.176 11.053 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.130 1.400 11.092 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.343 1.025 13.899 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.536 2.518 13.363 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.981 1.685 14.834 1.00 0.00 H new ATOM 147 N VAL A 12 4.271 2.681 10.358 1.00 0.00 N ATOM 148 CA VAL A 12 2.931 2.922 9.838 1.00 0.00 C ATOM 149 C VAL A 12 2.289 1.628 9.351 1.00 0.00 C ATOM 150 O VAL A 12 2.888 0.878 8.579 1.00 0.00 O ATOM 151 CB VAL A 12 2.953 3.939 8.681 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.885 5.096 9.004 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.362 3.259 7.383 1.00 0.00 C ATOM 0 H VAL A 12 4.913 2.257 9.689 1.00 0.00 H new ATOM 0 HA VAL A 12 2.341 3.329 10.659 1.00 0.00 H new ATOM 0 HB VAL A 12 1.948 4.340 8.553 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.887 5.804 8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.542 5.598 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.895 4.717 9.160 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.372 3.992 6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.357 2.829 7.495 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.650 2.469 7.146 1.00 0.00 H new ATOM 163 N ARG A 13 1.067 1.372 9.806 1.00 0.00 N ATOM 164 CA ARG A 13 0.343 0.168 9.417 1.00 0.00 C ATOM 165 C ARG A 13 -0.524 0.427 8.189 1.00 0.00 C ATOM 166 O ARG A 13 -1.037 1.531 8.001 1.00 0.00 O ATOM 167 CB ARG A 13 -0.527 -0.326 10.574 1.00 0.00 C ATOM 168 CG ARG A 13 0.265 -0.685 11.821 1.00 0.00 C ATOM 169 CD ARG A 13 -0.582 -0.549 13.077 1.00 0.00 C ATOM 170 NE ARG A 13 0.218 -0.173 14.239 1.00 0.00 N ATOM 171 CZ ARG A 13 -0.195 -0.318 15.494 1.00 0.00 C ATOM 172 NH1 ARG A 13 -1.391 -0.830 15.746 1.00 0.00 N ATOM 173 NH2 ARG A 13 0.591 0.048 16.498 1.00 0.00 N ATOM 0 H ARG A 13 0.557 1.983 10.445 1.00 0.00 H new ATOM 0 HA ARG A 13 1.075 -0.600 9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.255 0.446 10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.090 -1.200 10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.633 -1.708 11.738 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.138 -0.037 11.898 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.356 0.200 12.912 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.089 -1.493 13.276 1.00 0.00 H new ATOM 0 HE ARG A 13 1.144 0.223 14.079 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.997 -1.114 14.976 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.706 -0.940 16.710 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.513 0.441 16.307 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.274 -0.063 17.461 1.00 0.00 H new ATOM 187 N ILE A 14 -0.683 -0.596 7.356 1.00 0.00 N ATOM 188 CA ILE A 14 -1.489 -0.478 6.147 1.00 0.00 C ATOM 189 C ILE A 14 -2.415 -1.679 5.985 1.00 0.00 C ATOM 190 O ILE A 14 -1.964 -2.792 5.714 1.00 0.00 O ATOM 191 CB ILE A 14 -0.606 -0.352 4.892 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.401 0.787 5.063 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.467 -0.124 3.659 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.237 2.158 5.099 1.00 0.00 C ATOM 0 H ILE A 14 -0.264 -1.516 7.496 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.087 0.427 6.253 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.055 -1.283 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.960 0.631 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.120 0.751 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.828 -0.037 2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.148 -0.965 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.042 0.794 3.782 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.536 2.916 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.773 2.335 4.166 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.935 2.213 5.934 1.00 0.00 H new ATOM 206 N TYR A 15 -3.712 -1.445 6.150 1.00 0.00 N ATOM 207 CA TYR A 15 -4.703 -2.508 6.023 1.00 0.00 C ATOM 208 C TYR A 15 -4.973 -2.827 4.555 1.00 0.00 C ATOM 209 O TYR A 15 -5.703 -2.106 3.875 1.00 0.00 O ATOM 210 CB TYR A 15 -6.005 -2.106 6.717 1.00 0.00 C ATOM 211 CG TYR A 15 -5.811 -1.636 8.141 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.410 -2.519 9.136 1.00 0.00 C ATOM 213 CD2 TYR A 15 -6.031 -0.310 8.492 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.233 -2.094 10.439 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.855 0.124 9.791 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.456 -0.772 10.761 1.00 0.00 C ATOM 217 OH TYR A 15 -5.280 -0.344 12.057 1.00 0.00 O ATOM 0 H TYR A 15 -4.102 -0.529 6.372 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.305 -3.402 6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.483 -1.312 6.143 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.687 -2.957 6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.234 -3.555 8.887 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.345 0.394 7.736 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.922 -2.793 11.201 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.029 1.159 10.046 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.477 0.614 12.115 1.00 0.00 H new ATOM 227 N THR A 16 -4.379 -3.914 4.074 1.00 0.00 N ATOM 228 CA THR A 16 -4.554 -4.330 2.688 1.00 0.00 C ATOM 229 C THR A 16 -5.988 -4.776 2.425 1.00 0.00 C ATOM 230 O THR A 16 -6.637 -5.360 3.293 1.00 0.00 O ATOM 231 CB THR A 16 -3.596 -5.479 2.321 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.657 -5.737 0.914 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.949 -6.744 3.089 1.00 0.00 C ATOM 0 H THR A 16 -3.772 -4.522 4.624 1.00 0.00 H new ATOM 0 HA THR A 16 -4.326 -3.464 2.067 1.00 0.00 H new ATOM 0 HB THR A 16 -2.584 -5.179 2.592 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.044 -6.468 0.688 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.259 -7.541 2.813 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.874 -6.553 4.159 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.968 -7.045 2.845 1.00 0.00 H new ATOM 241 N LYS A 17 -6.477 -4.498 1.221 1.00 0.00 N ATOM 242 CA LYS A 17 -7.835 -4.872 0.841 1.00 0.00 C ATOM 243 C LYS A 17 -7.822 -5.851 -0.328 1.00 0.00 C ATOM 244 O LYS A 17 -7.799 -5.461 -1.496 1.00 0.00 O ATOM 245 CB LYS A 17 -8.644 -3.628 0.470 1.00 0.00 C ATOM 246 CG LYS A 17 -10.144 -3.812 0.615 1.00 0.00 C ATOM 247 CD LYS A 17 -10.907 -2.605 0.093 1.00 0.00 C ATOM 248 CE LYS A 17 -12.411 -2.806 0.204 1.00 0.00 C ATOM 249 NZ LYS A 17 -12.908 -3.822 -0.764 1.00 0.00 N ATOM 0 H LYS A 17 -5.953 -4.015 0.491 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.304 -5.360 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.326 -2.797 1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.418 -3.352 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.456 -4.704 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.392 -3.975 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.615 -1.718 0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.639 -2.426 -0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.662 -3.117 1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.918 -1.857 0.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.948 -3.833 -0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.575 -3.583 -1.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.549 -4.761 -0.497 1.00 0.00 H new ATOM 263 N PRO A 18 -7.839 -7.155 -0.010 1.00 0.00 N ATOM 264 CA PRO A 18 -7.833 -8.216 -1.021 1.00 0.00 C ATOM 265 C PRO A 18 -9.144 -8.287 -1.796 1.00 0.00 C ATOM 266 O PRO A 18 -10.209 -8.504 -1.216 1.00 0.00 O ATOM 267 CB PRO A 18 -7.629 -9.490 -0.197 1.00 0.00 C ATOM 268 CG PRO A 18 -8.155 -9.154 1.156 1.00 0.00 C ATOM 269 CD PRO A 18 -7.867 -7.692 1.360 1.00 0.00 C ATOM 0 HA PRO A 18 -7.065 -8.053 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.165 -10.333 -0.632 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.576 -9.770 -0.154 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.225 -9.354 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.672 -9.758 1.924 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.637 -7.211 1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.917 -7.537 1.872 1.00 0.00 H new ATOM 277 N LYS A 19 -9.061 -8.104 -3.109 1.00 0.00 N ATOM 278 CA LYS A 19 -10.241 -8.148 -3.965 1.00 0.00 C ATOM 279 C LYS A 19 -11.148 -9.313 -3.580 1.00 0.00 C ATOM 280 O LYS A 19 -10.739 -10.472 -3.623 1.00 0.00 O ATOM 281 CB LYS A 19 -9.827 -8.274 -5.433 1.00 0.00 C ATOM 282 CG LYS A 19 -9.096 -9.567 -5.750 1.00 0.00 C ATOM 283 CD LYS A 19 -8.235 -9.430 -6.995 1.00 0.00 C ATOM 284 CE LYS A 19 -7.460 -10.707 -7.280 1.00 0.00 C ATOM 285 NZ LYS A 19 -6.736 -11.198 -6.074 1.00 0.00 N ATOM 0 H LYS A 19 -8.188 -7.924 -3.604 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.794 -7.219 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.716 -8.206 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -9.187 -7.431 -5.695 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.470 -9.849 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.820 -10.369 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.866 -9.188 -7.850 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.539 -8.601 -6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.146 -11.478 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.746 -10.527 -8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.018 -11.894 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.273 -10.398 -5.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.411 -11.646 -5.422 1.00 0.00 H new ATOM 299 N GLY A 20 -12.384 -8.996 -3.204 1.00 0.00 N ATOM 300 CA GLY A 20 -13.330 -10.027 -2.819 1.00 0.00 C ATOM 301 C GLY A 20 -13.456 -10.164 -1.315 1.00 0.00 C ATOM 302 O GLY A 20 -14.553 -10.060 -0.766 1.00 0.00 O ATOM 0 H GLY A 20 -12.747 -8.044 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.307 -9.796 -3.243 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.016 -10.981 -3.243 1.00 0.00 H new ATOM 306 N GLN A 21 -12.332 -10.400 -0.647 1.00 0.00 N ATOM 307 CA GLN A 21 -12.323 -10.555 0.803 1.00 0.00 C ATOM 308 C GLN A 21 -12.177 -9.203 1.494 1.00 0.00 C ATOM 309 O GLN A 21 -11.778 -8.217 0.873 1.00 0.00 O ATOM 310 CB GLN A 21 -11.186 -11.485 1.231 1.00 0.00 C ATOM 311 CG GLN A 21 -11.409 -12.937 0.843 1.00 0.00 C ATOM 312 CD GLN A 21 -11.288 -13.167 -0.651 1.00 0.00 C ATOM 313 OE1 GLN A 21 -10.489 -12.518 -1.327 1.00 0.00 O ATOM 314 NE2 GLN A 21 -12.081 -14.095 -1.174 1.00 0.00 N ATOM 0 H GLN A 21 -11.416 -10.488 -1.086 1.00 0.00 H new ATOM 0 HA GLN A 21 -13.275 -10.995 1.102 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -10.255 -11.137 0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.063 -11.421 2.312 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.684 -13.564 1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.398 -13.250 1.176 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.728 -14.609 -0.576 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -12.043 -14.294 -2.174 1.00 0.00 H new ATOM 323 N LEU A 22 -12.503 -9.164 2.781 1.00 0.00 N ATOM 324 CA LEU A 22 -12.409 -7.932 3.557 1.00 0.00 C ATOM 325 C LEU A 22 -10.963 -7.640 3.942 1.00 0.00 C ATOM 326 O LEU A 22 -10.134 -8.542 4.068 1.00 0.00 O ATOM 327 CB LEU A 22 -13.275 -8.031 4.814 1.00 0.00 C ATOM 328 CG LEU A 22 -14.787 -7.983 4.594 1.00 0.00 C ATOM 329 CD1 LEU A 22 -15.522 -8.026 5.925 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.173 -6.738 3.809 1.00 0.00 C ATOM 0 H LEU A 22 -12.835 -9.971 3.309 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.772 -7.112 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.032 -8.962 5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.000 -7.217 5.485 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.078 -8.858 4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.597 -7.991 5.748 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.270 -8.948 6.450 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.226 -7.170 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.253 -6.721 3.662 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.868 -5.850 4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.675 -6.750 2.839 1.00 0.00 H new ATOM 342 N PRO A 23 -10.650 -6.351 4.138 1.00 0.00 N ATOM 343 CA PRO A 23 -9.304 -5.911 4.516 1.00 0.00 C ATOM 344 C PRO A 23 -8.939 -6.316 5.940 1.00 0.00 C ATOM 345 O PRO A 23 -9.634 -5.964 6.893 1.00 0.00 O ATOM 346 CB PRO A 23 -9.383 -4.387 4.398 1.00 0.00 C ATOM 347 CG PRO A 23 -10.825 -4.066 4.590 1.00 0.00 C ATOM 348 CD PRO A 23 -11.588 -5.223 4.007 1.00 0.00 C ATOM 0 HA PRO A 23 -8.537 -6.362 3.887 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.765 -3.899 5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.028 -4.046 3.425 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.059 -3.937 5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.087 -3.134 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.516 -5.407 4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.857 -5.043 2.966 1.00 0.00 H new ATOM 356 N ASP A 24 -7.846 -7.058 6.077 1.00 0.00 N ATOM 357 CA ASP A 24 -7.388 -7.511 7.385 1.00 0.00 C ATOM 358 C ASP A 24 -6.994 -6.327 8.263 1.00 0.00 C ATOM 359 O ASP A 24 -5.996 -5.653 8.002 1.00 0.00 O ATOM 360 CB ASP A 24 -6.203 -8.465 7.233 1.00 0.00 C ATOM 361 CG ASP A 24 -6.335 -9.363 6.019 1.00 0.00 C ATOM 362 OD1 ASP A 24 -6.439 -8.830 4.894 1.00 0.00 O ATOM 363 OD2 ASP A 24 -6.335 -10.600 6.193 1.00 0.00 O ATOM 0 H ASP A 24 -7.260 -7.359 5.298 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.210 -8.040 7.866 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.282 -7.887 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.118 -9.080 8.129 1.00 0.00 H new ATOM 368 N TYR A 25 -7.784 -6.078 9.301 1.00 0.00 N ATOM 369 CA TYR A 25 -7.519 -4.972 10.215 1.00 0.00 C ATOM 370 C TYR A 25 -6.701 -5.441 11.414 1.00 0.00 C ATOM 371 O TYR A 25 -6.240 -4.633 12.221 1.00 0.00 O ATOM 372 CB TYR A 25 -8.833 -4.352 10.691 1.00 0.00 C ATOM 373 CG TYR A 25 -9.566 -3.584 9.614 1.00 0.00 C ATOM 374 CD1 TYR A 25 -8.954 -2.531 8.946 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.870 -3.911 9.265 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.619 -1.826 7.962 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.543 -3.213 8.281 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.913 -2.171 7.633 1.00 0.00 C ATOM 379 OH TYR A 25 -11.581 -1.472 6.653 1.00 0.00 O ATOM 0 H TYR A 25 -8.613 -6.626 9.531 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.943 -4.219 9.678 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.482 -5.142 11.068 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.628 -3.683 11.527 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.940 -2.259 9.201 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.367 -4.725 9.772 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.128 -1.009 7.453 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.556 -3.482 8.021 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.482 -1.843 6.543 1.00 0.00 H new ATOM 389 N THR A 26 -6.524 -6.754 11.525 1.00 0.00 N ATOM 390 CA THR A 26 -5.762 -7.332 12.625 1.00 0.00 C ATOM 391 C THR A 26 -4.415 -7.859 12.143 1.00 0.00 C ATOM 392 O THR A 26 -3.490 -8.040 12.934 1.00 0.00 O ATOM 393 CB THR A 26 -6.536 -8.478 13.303 1.00 0.00 C ATOM 394 OG1 THR A 26 -5.773 -9.007 14.393 1.00 0.00 O ATOM 395 CG2 THR A 26 -6.843 -9.587 12.308 1.00 0.00 C ATOM 0 H THR A 26 -6.898 -7.437 10.866 1.00 0.00 H new ATOM 0 HA THR A 26 -5.599 -6.535 13.350 1.00 0.00 H new ATOM 0 HB THR A 26 -7.478 -8.078 13.679 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.273 -9.734 14.820 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.390 -10.385 12.810 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.449 -9.188 11.494 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.911 -9.983 11.906 1.00 0.00 H new ATOM 403 N SER A 27 -4.312 -8.104 10.841 1.00 0.00 N ATOM 404 CA SER A 27 -3.078 -8.613 10.254 1.00 0.00 C ATOM 405 C SER A 27 -2.512 -7.627 9.237 1.00 0.00 C ATOM 406 O SER A 27 -2.120 -7.994 8.130 1.00 0.00 O ATOM 407 CB SER A 27 -3.327 -9.966 9.585 1.00 0.00 C ATOM 408 OG SER A 27 -2.151 -10.756 9.577 1.00 0.00 O ATOM 0 H SER A 27 -5.068 -7.958 10.172 1.00 0.00 H new ATOM 0 HA SER A 27 -2.350 -8.740 11.055 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.121 -10.495 10.112 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.672 -9.812 8.563 1.00 0.00 H new ATOM 0 HG SER A 27 -2.337 -11.616 9.145 1.00 0.00 H new ATOM 414 N PRO A 28 -2.467 -6.343 9.622 1.00 0.00 N ATOM 415 CA PRO A 28 -1.950 -5.276 8.759 1.00 0.00 C ATOM 416 C PRO A 28 -0.442 -5.370 8.561 1.00 0.00 C ATOM 417 O PRO A 28 0.231 -6.173 9.208 1.00 0.00 O ATOM 418 CB PRO A 28 -2.310 -3.998 9.522 1.00 0.00 C ATOM 419 CG PRO A 28 -2.402 -4.421 10.947 1.00 0.00 C ATOM 420 CD PRO A 28 -2.917 -5.833 10.928 1.00 0.00 C ATOM 0 HA PRO A 28 -2.372 -5.324 7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.550 -3.228 9.386 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.254 -3.580 9.171 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.428 -4.368 11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.073 -3.768 11.505 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.509 -6.420 11.751 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.003 -5.866 11.020 1.00 0.00 H new ATOM 428 N VAL A 29 0.085 -4.546 7.661 1.00 0.00 N ATOM 429 CA VAL A 29 1.515 -4.536 7.378 1.00 0.00 C ATOM 430 C VAL A 29 2.183 -3.298 7.967 1.00 0.00 C ATOM 431 O VAL A 29 1.853 -2.169 7.605 1.00 0.00 O ATOM 432 CB VAL A 29 1.788 -4.581 5.863 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.201 -3.356 5.178 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.282 -4.687 5.594 1.00 0.00 C ATOM 0 H VAL A 29 -0.457 -3.876 7.115 1.00 0.00 H new ATOM 0 HA VAL A 29 1.936 -5.428 7.842 1.00 0.00 H new ATOM 0 HB VAL A 29 1.304 -5.466 5.450 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.404 -3.405 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.124 -3.328 5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.654 -2.455 5.592 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.457 -4.718 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.791 -3.822 6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.670 -5.597 6.051 1.00 0.00 H new ATOM 444 N VAL A 30 3.126 -3.518 8.878 1.00 0.00 N ATOM 445 CA VAL A 30 3.843 -2.421 9.517 1.00 0.00 C ATOM 446 C VAL A 30 5.080 -2.032 8.716 1.00 0.00 C ATOM 447 O VAL A 30 6.141 -2.641 8.857 1.00 0.00 O ATOM 448 CB VAL A 30 4.268 -2.788 10.951 1.00 0.00 C ATOM 449 CG1 VAL A 30 4.773 -1.558 11.690 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.111 -3.432 11.701 1.00 0.00 C ATOM 0 H VAL A 30 3.411 -4.446 9.190 1.00 0.00 H new ATOM 0 HA VAL A 30 3.157 -1.575 9.555 1.00 0.00 H new ATOM 0 HB VAL A 30 5.083 -3.510 10.896 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.069 -1.837 12.701 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.632 -1.144 11.162 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.981 -0.811 11.737 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.429 -3.685 12.712 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.274 -2.735 11.747 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.800 -4.338 11.181 1.00 0.00 H new ATOM 460 N LEU A 31 4.937 -1.014 7.874 1.00 0.00 N ATOM 461 CA LEU A 31 6.044 -0.543 7.049 1.00 0.00 C ATOM 462 C LEU A 31 6.810 0.573 7.752 1.00 0.00 C ATOM 463 O LEU A 31 6.238 1.399 8.464 1.00 0.00 O ATOM 464 CB LEU A 31 5.525 -0.048 5.698 1.00 0.00 C ATOM 465 CG LEU A 31 4.985 -1.121 4.753 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.202 -0.485 3.614 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.123 -1.973 4.209 1.00 0.00 C ATOM 0 H LEU A 31 4.066 -0.499 7.745 1.00 0.00 H new ATOM 0 HA LEU A 31 6.724 -1.379 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.734 0.679 5.880 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.333 0.480 5.192 1.00 0.00 H new ATOM 0 HG LEU A 31 4.310 -1.766 5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.825 -1.264 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.364 0.082 4.020 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.855 0.184 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.721 -2.732 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.823 -1.340 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.642 -2.458 5.036 1.00 0.00 H new ATOM 479 N PRO A 32 8.135 0.602 7.548 1.00 0.00 N ATOM 480 CA PRO A 32 9.008 1.614 8.151 1.00 0.00 C ATOM 481 C PRO A 32 8.787 3.000 7.555 1.00 0.00 C ATOM 482 O PRO A 32 8.678 3.152 6.338 1.00 0.00 O ATOM 483 CB PRO A 32 10.416 1.109 7.824 1.00 0.00 C ATOM 484 CG PRO A 32 10.245 0.278 6.599 1.00 0.00 C ATOM 485 CD PRO A 32 8.884 -0.351 6.711 1.00 0.00 C ATOM 0 HA PRO A 32 8.820 1.731 9.218 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.103 1.937 7.648 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.827 0.523 8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.319 0.889 5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.022 -0.483 6.532 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.419 -0.479 5.734 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.934 -1.338 7.172 1.00 0.00 H new ATOM 493 N TYR A 33 8.723 4.007 8.418 1.00 0.00 N ATOM 494 CA TYR A 33 8.514 5.380 7.976 1.00 0.00 C ATOM 495 C TYR A 33 9.512 5.760 6.887 1.00 0.00 C ATOM 496 O TYR A 33 9.127 6.129 5.777 1.00 0.00 O ATOM 497 CB TYR A 33 8.640 6.343 9.158 1.00 0.00 C ATOM 498 CG TYR A 33 8.141 7.739 8.858 1.00 0.00 C ATOM 499 CD1 TYR A 33 8.828 8.570 7.982 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.982 8.226 9.450 1.00 0.00 C ATOM 501 CE1 TYR A 33 8.376 9.846 7.705 1.00 0.00 C ATOM 502 CE2 TYR A 33 6.522 9.500 9.178 1.00 0.00 C ATOM 503 CZ TYR A 33 7.223 10.306 8.306 1.00 0.00 C ATOM 504 OH TYR A 33 6.769 11.576 8.032 1.00 0.00 O ATOM 0 H TYR A 33 8.813 3.898 9.428 1.00 0.00 H new ATOM 0 HA TYR A 33 7.508 5.452 7.562 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.083 5.941 10.004 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.685 6.397 9.462 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.731 8.213 7.509 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.431 7.598 10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.922 10.479 7.022 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.619 9.863 9.646 1.00 0.00 H new ATOM 0 HH TYR A 33 5.945 11.744 8.535 1.00 0.00 H new ATOM 514 N SER A 34 10.797 5.668 7.213 1.00 0.00 N ATOM 515 CA SER A 34 11.853 6.004 6.265 1.00 0.00 C ATOM 516 C SER A 34 11.496 5.524 4.862 1.00 0.00 C ATOM 517 O SER A 34 11.930 6.103 3.866 1.00 0.00 O ATOM 518 CB SER A 34 13.180 5.386 6.706 1.00 0.00 C ATOM 519 OG SER A 34 14.196 5.621 5.747 1.00 0.00 O ATOM 0 H SER A 34 11.132 5.363 8.127 1.00 0.00 H new ATOM 0 HA SER A 34 11.956 7.089 6.244 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.479 5.805 7.667 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.054 4.313 6.852 1.00 0.00 H new ATOM 0 HG SER A 34 15.035 5.217 6.053 1.00 0.00 H new ATOM 525 N ARG A 35 10.701 4.461 4.791 1.00 0.00 N ATOM 526 CA ARG A 35 10.286 3.900 3.511 1.00 0.00 C ATOM 527 C ARG A 35 8.780 3.659 3.486 1.00 0.00 C ATOM 528 O ARG A 35 8.301 2.605 3.907 1.00 0.00 O ATOM 529 CB ARG A 35 11.028 2.590 3.239 1.00 0.00 C ATOM 530 CG ARG A 35 12.505 2.779 2.933 1.00 0.00 C ATOM 531 CD ARG A 35 12.727 3.167 1.480 1.00 0.00 C ATOM 532 NE ARG A 35 12.606 4.608 1.274 1.00 0.00 N ATOM 533 CZ ARG A 35 13.423 5.500 1.823 1.00 0.00 C ATOM 534 NH1 ARG A 35 14.414 5.102 2.607 1.00 0.00 N ATOM 535 NH2 ARG A 35 13.248 6.795 1.588 1.00 0.00 N ATOM 0 H ARG A 35 10.331 3.971 5.606 1.00 0.00 H new ATOM 0 HA ARG A 35 10.535 4.619 2.730 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.926 1.938 4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.554 2.081 2.400 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.917 3.550 3.584 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.044 1.857 3.151 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.717 2.837 1.164 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.003 2.649 0.852 1.00 0.00 H new ATOM 0 HE ARG A 35 11.853 4.948 0.676 1.00 0.00 H new ATOM 0 HH11 ARG A 35 14.551 4.108 2.791 1.00 0.00 H new ATOM 0 HH12 ARG A 35 15.040 5.789 3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.486 7.106 0.986 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.876 7.479 2.010 1.00 0.00 H new ATOM 549 N THR A 36 8.036 4.643 2.990 1.00 0.00 N ATOM 550 CA THR A 36 6.585 4.539 2.911 1.00 0.00 C ATOM 551 C THR A 36 6.082 4.900 1.518 1.00 0.00 C ATOM 552 O THR A 36 6.062 6.071 1.137 1.00 0.00 O ATOM 553 CB THR A 36 5.899 5.453 3.944 1.00 0.00 C ATOM 554 OG1 THR A 36 6.602 6.697 4.040 1.00 0.00 O ATOM 555 CG2 THR A 36 5.851 4.785 5.310 1.00 0.00 C ATOM 0 H THR A 36 8.415 5.521 2.637 1.00 0.00 H new ATOM 0 HA THR A 36 6.331 3.502 3.129 1.00 0.00 H new ATOM 0 HB THR A 36 4.878 5.638 3.612 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.418 6.572 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.362 5.449 6.023 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.291 3.853 5.240 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.866 4.574 5.648 1.00 0.00 H new ATOM 563 N THR A 37 5.676 3.887 0.759 1.00 0.00 N ATOM 564 CA THR A 37 5.174 4.097 -0.593 1.00 0.00 C ATOM 565 C THR A 37 4.472 2.850 -1.119 1.00 0.00 C ATOM 566 O THR A 37 4.886 1.726 -0.834 1.00 0.00 O ATOM 567 CB THR A 37 6.309 4.481 -1.560 1.00 0.00 C ATOM 568 OG1 THR A 37 7.537 3.878 -1.138 1.00 0.00 O ATOM 569 CG2 THR A 37 6.476 5.992 -1.627 1.00 0.00 C ATOM 0 H THR A 37 5.685 2.912 1.058 1.00 0.00 H new ATOM 0 HA THR A 37 4.459 4.918 -0.541 1.00 0.00 H new ATOM 0 HB THR A 37 6.049 4.116 -2.554 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.253 4.126 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.284 6.239 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.549 6.445 -1.977 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.716 6.376 -0.635 1.00 0.00 H new ATOM 577 N VAL A 38 3.409 3.056 -1.890 1.00 0.00 N ATOM 578 CA VAL A 38 2.651 1.947 -2.459 1.00 0.00 C ATOM 579 C VAL A 38 3.580 0.867 -3.000 1.00 0.00 C ATOM 580 O VAL A 38 3.369 -0.322 -2.763 1.00 0.00 O ATOM 581 CB VAL A 38 1.723 2.425 -3.591 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.090 1.237 -4.299 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.655 3.361 -3.045 1.00 0.00 C ATOM 0 H VAL A 38 3.053 3.980 -2.135 1.00 0.00 H new ATOM 0 HA VAL A 38 2.045 1.531 -1.654 1.00 0.00 H new ATOM 0 HB VAL A 38 2.319 2.976 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.437 1.594 -5.096 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.872 0.608 -4.725 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.506 0.656 -3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.008 3.689 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.060 2.837 -2.297 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.131 4.228 -2.588 1.00 0.00 H new ATOM 593 N GLU A 39 4.610 1.289 -3.727 1.00 0.00 N ATOM 594 CA GLU A 39 5.572 0.356 -4.302 1.00 0.00 C ATOM 595 C GLU A 39 6.242 -0.476 -3.212 1.00 0.00 C ATOM 596 O GLU A 39 6.526 -1.658 -3.404 1.00 0.00 O ATOM 597 CB GLU A 39 6.632 1.112 -5.106 1.00 0.00 C ATOM 598 CG GLU A 39 7.730 1.716 -4.247 1.00 0.00 C ATOM 599 CD GLU A 39 8.412 2.894 -4.916 1.00 0.00 C ATOM 600 OE1 GLU A 39 7.875 4.018 -4.828 1.00 0.00 O ATOM 601 OE2 GLU A 39 9.482 2.691 -5.527 1.00 0.00 O ATOM 0 H GLU A 39 4.800 2.270 -3.932 1.00 0.00 H new ATOM 0 HA GLU A 39 5.032 -0.317 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.081 0.432 -5.830 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.148 1.907 -5.674 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.306 2.038 -3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.473 0.951 -4.022 1.00 0.00 H new ATOM 608 N ASP A 40 6.492 0.151 -2.068 1.00 0.00 N ATOM 609 CA ASP A 40 7.128 -0.530 -0.946 1.00 0.00 C ATOM 610 C ASP A 40 6.235 -1.644 -0.409 1.00 0.00 C ATOM 611 O ASP A 40 6.719 -2.695 0.011 1.00 0.00 O ATOM 612 CB ASP A 40 7.447 0.467 0.169 1.00 0.00 C ATOM 613 CG ASP A 40 8.426 -0.092 1.183 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.060 -1.049 1.896 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.558 0.429 1.264 1.00 0.00 O ATOM 0 H ASP A 40 6.264 1.130 -1.893 1.00 0.00 H new ATOM 0 HA ASP A 40 8.057 -0.974 -1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.860 1.376 -0.268 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.524 0.748 0.676 1.00 0.00 H new ATOM 620 N PHE A 41 4.927 -1.406 -0.424 1.00 0.00 N ATOM 621 CA PHE A 41 3.966 -2.388 0.063 1.00 0.00 C ATOM 622 C PHE A 41 3.892 -3.589 -0.875 1.00 0.00 C ATOM 623 O PHE A 41 4.046 -4.734 -0.448 1.00 0.00 O ATOM 624 CB PHE A 41 2.581 -1.752 0.204 1.00 0.00 C ATOM 625 CG PHE A 41 1.483 -2.750 0.433 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.003 -3.523 -0.612 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.931 -2.916 1.693 1.00 0.00 C ATOM 628 CE1 PHE A 41 -0.008 -4.443 -0.405 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.080 -3.835 1.906 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.550 -4.598 0.855 1.00 0.00 C ATOM 0 H PHE A 41 4.509 -0.542 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 41 4.302 -2.733 1.041 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.597 -1.045 1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.359 -1.180 -0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.424 -3.405 -1.600 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.294 -2.321 2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.373 -5.040 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.502 -3.956 2.893 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.341 -5.315 1.019 1.00 0.00 H new ATOM 640 N CYS A 42 3.656 -3.320 -2.154 1.00 0.00 N ATOM 641 CA CYS A 42 3.560 -4.378 -3.154 1.00 0.00 C ATOM 642 C CYS A 42 4.694 -5.384 -2.990 1.00 0.00 C ATOM 643 O CYS A 42 4.517 -6.578 -3.230 1.00 0.00 O ATOM 644 CB CYS A 42 3.591 -3.782 -4.562 1.00 0.00 C ATOM 645 SG CYS A 42 2.099 -2.861 -5.006 1.00 0.00 S ATOM 0 H CYS A 42 3.527 -2.378 -2.524 1.00 0.00 H new ATOM 0 HA CYS A 42 2.613 -4.897 -3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.453 -3.120 -4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.736 -4.587 -5.283 1.00 0.00 H new ATOM 0 HG CYS A 42 2.220 -2.394 -6.213 1.00 0.00 H new ATOM 651 N MET A 43 5.860 -4.894 -2.581 1.00 0.00 N ATOM 652 CA MET A 43 7.023 -5.751 -2.386 1.00 0.00 C ATOM 653 C MET A 43 6.803 -6.710 -1.220 1.00 0.00 C ATOM 654 O MET A 43 7.046 -7.911 -1.336 1.00 0.00 O ATOM 655 CB MET A 43 8.272 -4.903 -2.135 1.00 0.00 C ATOM 656 CG MET A 43 8.643 -4.007 -3.305 1.00 0.00 C ATOM 657 SD MET A 43 9.385 -4.920 -4.671 1.00 0.00 S ATOM 658 CE MET A 43 8.445 -4.280 -6.056 1.00 0.00 C ATOM 0 H MET A 43 6.024 -3.908 -2.378 1.00 0.00 H new ATOM 0 HA MET A 43 7.167 -6.337 -3.293 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.110 -4.285 -1.252 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.111 -5.563 -1.913 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.751 -3.491 -3.660 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.340 -3.241 -2.964 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.788 -4.751 -6.977 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.387 -4.498 -5.910 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.587 -3.201 -6.125 1.00 0.00 H new ATOM 668 N LYS A 44 6.341 -6.171 -0.096 1.00 0.00 N ATOM 669 CA LYS A 44 6.086 -6.978 1.091 1.00 0.00 C ATOM 670 C LYS A 44 5.388 -8.283 0.722 1.00 0.00 C ATOM 671 O LYS A 44 5.748 -9.352 1.217 1.00 0.00 O ATOM 672 CB LYS A 44 5.232 -6.196 2.091 1.00 0.00 C ATOM 673 CG LYS A 44 6.047 -5.349 3.054 1.00 0.00 C ATOM 674 CD LYS A 44 6.561 -6.173 4.223 1.00 0.00 C ATOM 675 CE LYS A 44 6.858 -5.300 5.433 1.00 0.00 C ATOM 676 NZ LYS A 44 7.227 -6.112 6.625 1.00 0.00 N ATOM 0 H LYS A 44 6.136 -5.178 0.017 1.00 0.00 H new ATOM 0 HA LYS A 44 7.045 -7.217 1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.546 -5.550 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.623 -6.897 2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.889 -4.902 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.434 -4.529 3.427 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.821 -6.928 4.490 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.465 -6.704 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.671 -4.614 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.984 -4.691 5.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.422 -5.481 7.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.442 -6.749 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.076 -6.674 6.413 1.00 0.00 H new ATOM 690 N ILE A 45 4.389 -8.189 -0.149 1.00 0.00 N ATOM 691 CA ILE A 45 3.643 -9.363 -0.585 1.00 0.00 C ATOM 692 C ILE A 45 4.339 -10.054 -1.753 1.00 0.00 C ATOM 693 O ILE A 45 4.819 -11.180 -1.626 1.00 0.00 O ATOM 694 CB ILE A 45 2.207 -8.994 -1.003 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.605 -7.997 -0.011 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.345 -10.244 -1.095 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.841 -8.367 1.437 1.00 0.00 C ATOM 0 H ILE A 45 4.078 -7.312 -0.567 1.00 0.00 H new ATOM 0 HA ILE A 45 3.602 -10.044 0.265 1.00 0.00 H new ATOM 0 HB ILE A 45 2.239 -8.525 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.028 -7.010 -0.199 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.532 -7.923 -0.188 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.333 -9.967 -1.391 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.767 -10.923 -1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.316 -10.738 -0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.387 -7.616 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.394 -9.340 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.913 -8.412 1.631 1.00 0.00 H new ATOM 709 N HIS A 46 4.391 -9.370 -2.892 1.00 0.00 N ATOM 710 CA HIS A 46 5.030 -9.917 -4.084 1.00 0.00 C ATOM 711 C HIS A 46 5.701 -8.812 -4.896 1.00 0.00 C ATOM 712 O HIS A 46 5.071 -7.813 -5.243 1.00 0.00 O ATOM 713 CB HIS A 46 4.004 -10.650 -4.948 1.00 0.00 C ATOM 714 CG HIS A 46 4.585 -11.785 -5.734 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.387 -11.601 -6.840 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.478 -13.124 -5.567 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.747 -12.778 -7.321 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.208 -13.719 -6.566 1.00 0.00 N ATOM 0 H HIS A 46 3.999 -8.437 -3.015 1.00 0.00 H new ATOM 0 HA HIS A 46 5.795 -10.624 -3.764 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.209 -11.032 -4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.546 -9.939 -5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.922 -13.630 -4.792 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.375 -12.943 -8.184 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.317 -14.724 -6.703 1.00 0.00 H new ATOM 727 N LYS A 47 6.982 -8.999 -5.194 1.00 0.00 N ATOM 728 CA LYS A 47 7.739 -8.020 -5.965 1.00 0.00 C ATOM 729 C LYS A 47 7.128 -7.828 -7.349 1.00 0.00 C ATOM 730 O LYS A 47 6.747 -6.719 -7.721 1.00 0.00 O ATOM 731 CB LYS A 47 9.198 -8.461 -6.096 1.00 0.00 C ATOM 732 CG LYS A 47 9.920 -8.581 -4.765 1.00 0.00 C ATOM 733 CD LYS A 47 11.413 -8.348 -4.917 1.00 0.00 C ATOM 734 CE LYS A 47 12.147 -8.555 -3.601 1.00 0.00 C ATOM 735 NZ LYS A 47 11.910 -7.432 -2.652 1.00 0.00 N ATOM 0 H LYS A 47 7.518 -9.820 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 47 7.700 -7.068 -5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.233 -9.423 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.729 -7.747 -6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.508 -7.859 -4.060 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.747 -9.571 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.814 -9.028 -5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.589 -7.335 -5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.820 -9.490 -3.146 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.216 -8.650 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.427 -7.610 -1.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.245 -6.543 -3.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.893 -7.357 -2.449 1.00 0.00 H new ATOM 749 N ASN A 48 7.037 -8.916 -8.107 1.00 0.00 N ATOM 750 CA ASN A 48 6.472 -8.867 -9.451 1.00 0.00 C ATOM 751 C ASN A 48 5.156 -8.094 -9.459 1.00 0.00 C ATOM 752 O ASN A 48 4.736 -7.573 -10.493 1.00 0.00 O ATOM 753 CB ASN A 48 6.247 -10.283 -9.984 1.00 0.00 C ATOM 754 CG ASN A 48 5.174 -10.334 -11.054 1.00 0.00 C ATOM 755 OD1 ASN A 48 5.474 -10.429 -12.245 1.00 0.00 O ATOM 756 ND2 ASN A 48 3.916 -10.272 -10.634 1.00 0.00 N ATOM 0 H ASN A 48 7.347 -9.842 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 48 7.181 -8.351 -10.098 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.182 -10.668 -10.392 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.966 -10.938 -9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.151 -10.303 -11.308 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.714 -10.194 -9.637 1.00 0.00 H new ATOM 763 N LEU A 49 4.511 -8.022 -8.300 1.00 0.00 N ATOM 764 CA LEU A 49 3.244 -7.312 -8.173 1.00 0.00 C ATOM 765 C LEU A 49 3.318 -5.941 -8.837 1.00 0.00 C ATOM 766 O LEU A 49 2.457 -5.582 -9.640 1.00 0.00 O ATOM 767 CB LEU A 49 2.869 -7.157 -6.697 1.00 0.00 C ATOM 768 CG LEU A 49 1.483 -6.577 -6.414 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.431 -7.266 -7.270 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.142 -6.708 -4.937 1.00 0.00 C ATOM 0 H LEU A 49 4.845 -8.447 -7.435 1.00 0.00 H new ATOM 0 HA LEU A 49 2.476 -7.898 -8.678 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.935 -8.135 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.612 -6.519 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 49 1.494 -5.518 -6.671 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.549 -6.840 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.667 -7.120 -8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.420 -8.333 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.152 -6.290 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.150 -7.761 -4.654 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.880 -6.167 -4.344 1.00 0.00 H new ATOM 782 N ILE A 50 4.354 -5.180 -8.497 1.00 0.00 N ATOM 783 CA ILE A 50 4.542 -3.850 -9.063 1.00 0.00 C ATOM 784 C ILE A 50 4.490 -3.889 -10.586 1.00 0.00 C ATOM 785 O ILE A 50 4.014 -2.951 -11.226 1.00 0.00 O ATOM 786 CB ILE A 50 5.884 -3.236 -8.622 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.913 -1.739 -8.936 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.043 -3.948 -9.304 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.036 -0.912 -8.022 1.00 0.00 C ATOM 0 H ILE A 50 5.075 -5.462 -7.833 1.00 0.00 H new ATOM 0 HA ILE A 50 3.727 -3.229 -8.690 1.00 0.00 H new ATOM 0 HB ILE A 50 5.988 -3.364 -7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.940 -1.381 -8.863 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.595 -1.586 -9.967 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.984 -3.502 -8.982 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.031 -5.004 -9.034 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.946 -3.848 -10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.106 0.139 -8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.002 -1.243 -8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.367 -1.035 -6.991 1.00 0.00 H new ATOM 801 N LYS A 51 4.981 -4.980 -11.162 1.00 0.00 N ATOM 802 CA LYS A 51 4.988 -5.145 -12.611 1.00 0.00 C ATOM 803 C LYS A 51 3.567 -5.243 -13.154 1.00 0.00 C ATOM 804 O LYS A 51 3.298 -4.850 -14.289 1.00 0.00 O ATOM 805 CB LYS A 51 5.782 -6.394 -12.999 1.00 0.00 C ATOM 806 CG LYS A 51 7.198 -6.410 -12.450 1.00 0.00 C ATOM 807 CD LYS A 51 8.125 -7.242 -13.321 1.00 0.00 C ATOM 808 CE LYS A 51 8.736 -6.409 -14.438 1.00 0.00 C ATOM 809 NZ LYS A 51 7.826 -6.303 -15.612 1.00 0.00 N ATOM 0 H LYS A 51 5.380 -5.765 -10.647 1.00 0.00 H new ATOM 0 HA LYS A 51 5.465 -4.269 -13.049 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.252 -7.277 -12.641 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.822 -6.466 -14.086 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.576 -5.390 -12.386 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.192 -6.812 -11.437 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.919 -7.667 -12.707 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.571 -8.077 -13.750 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.964 -5.411 -14.064 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.680 -6.856 -14.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.388 -6.155 -16.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.275 -7.180 -15.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.179 -5.500 -15.478 1.00 0.00 H new ATOM 823 N GLU A 52 2.660 -5.769 -12.336 1.00 0.00 N ATOM 824 CA GLU A 52 1.266 -5.918 -12.736 1.00 0.00 C ATOM 825 C GLU A 52 0.385 -4.892 -12.030 1.00 0.00 C ATOM 826 O GLU A 52 -0.797 -4.749 -12.346 1.00 0.00 O ATOM 827 CB GLU A 52 0.771 -7.332 -12.426 1.00 0.00 C ATOM 828 CG GLU A 52 1.823 -8.407 -12.645 1.00 0.00 C ATOM 829 CD GLU A 52 1.945 -8.815 -14.100 1.00 0.00 C ATOM 830 OE1 GLU A 52 2.660 -8.123 -14.853 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.325 -9.829 -14.485 1.00 0.00 O ATOM 0 H GLU A 52 2.866 -6.099 -11.393 1.00 0.00 H new ATOM 0 HA GLU A 52 1.203 -5.747 -13.811 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.434 -7.371 -11.390 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.095 -7.550 -13.051 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.788 -8.044 -12.291 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.573 -9.282 -12.046 1.00 0.00 H new ATOM 838 N PHE A 53 0.968 -4.181 -11.071 1.00 0.00 N ATOM 839 CA PHE A 53 0.236 -3.169 -10.317 1.00 0.00 C ATOM 840 C PHE A 53 -0.257 -2.056 -11.237 1.00 0.00 C ATOM 841 O PHE A 53 0.532 -1.411 -11.929 1.00 0.00 O ATOM 842 CB PHE A 53 1.123 -2.581 -9.217 1.00 0.00 C ATOM 843 CG PHE A 53 0.568 -1.326 -8.607 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.420 -1.389 -7.638 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.035 -0.083 -9.003 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.932 -0.236 -7.074 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.527 1.074 -8.442 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.458 0.997 -7.477 1.00 0.00 C ATOM 0 H PHE A 53 1.945 -4.286 -10.797 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.629 -3.648 -9.859 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.259 -3.327 -8.434 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.109 -2.369 -9.631 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.795 -2.351 -7.320 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.804 -0.017 -9.758 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.702 -0.299 -6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 53 0.900 2.037 -8.758 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.857 1.900 -7.038 1.00 0.00 H new ATOM 858 N LYS A 54 -1.567 -1.836 -11.241 1.00 0.00 N ATOM 859 CA LYS A 54 -2.168 -0.802 -12.074 1.00 0.00 C ATOM 860 C LYS A 54 -2.407 0.473 -11.272 1.00 0.00 C ATOM 861 O LYS A 54 -2.090 1.573 -11.726 1.00 0.00 O ATOM 862 CB LYS A 54 -3.488 -1.299 -12.668 1.00 0.00 C ATOM 863 CG LYS A 54 -3.911 -0.551 -13.920 1.00 0.00 C ATOM 864 CD LYS A 54 -5.275 -1.010 -14.409 1.00 0.00 C ATOM 865 CE LYS A 54 -5.949 0.055 -15.260 1.00 0.00 C ATOM 866 NZ LYS A 54 -5.515 -0.015 -16.683 1.00 0.00 N ATOM 0 H LYS A 54 -2.234 -2.361 -10.675 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.475 -0.576 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.395 -2.359 -12.902 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.273 -1.206 -11.917 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.938 0.519 -13.714 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.171 -0.706 -14.705 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.165 -1.926 -14.990 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.908 -1.249 -13.554 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.031 -0.066 -15.204 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.718 1.041 -14.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.997 0.727 -17.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.486 0.126 -16.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.759 -0.947 -17.075 1.00 0.00 H new ATOM 880 N TYR A 55 -2.966 0.318 -10.077 1.00 0.00 N ATOM 881 CA TYR A 55 -3.248 1.457 -9.211 1.00 0.00 C ATOM 882 C TYR A 55 -3.651 0.994 -7.815 1.00 0.00 C ATOM 883 O TYR A 55 -3.826 -0.200 -7.571 1.00 0.00 O ATOM 884 CB TYR A 55 -4.358 2.320 -9.814 1.00 0.00 C ATOM 885 CG TYR A 55 -5.675 1.593 -9.967 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.549 1.467 -8.894 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.044 1.031 -11.182 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.753 0.802 -9.028 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.247 0.366 -11.326 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.098 0.255 -10.246 1.00 0.00 C ATOM 891 OH TYR A 55 -9.296 -0.408 -10.385 1.00 0.00 O ATOM 0 H TYR A 55 -3.233 -0.585 -9.686 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.338 2.052 -9.128 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.508 3.197 -9.184 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.036 2.681 -10.791 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.283 1.896 -7.939 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.379 1.115 -12.029 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.420 0.711 -8.183 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.519 -0.064 -12.278 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.386 -0.732 -11.306 1.00 0.00 H new ATOM 901 N ALA A 56 -3.796 1.948 -6.901 1.00 0.00 N ATOM 902 CA ALA A 56 -4.180 1.639 -5.529 1.00 0.00 C ATOM 903 C ALA A 56 -5.205 2.641 -5.008 1.00 0.00 C ATOM 904 O ALA A 56 -5.066 3.848 -5.207 1.00 0.00 O ATOM 905 CB ALA A 56 -2.954 1.620 -4.629 1.00 0.00 C ATOM 0 H ALA A 56 -3.653 2.941 -7.086 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.639 0.650 -5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.256 1.388 -3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.255 0.862 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.471 2.597 -4.651 1.00 0.00 H new ATOM 911 N LEU A 57 -6.236 2.132 -4.341 1.00 0.00 N ATOM 912 CA LEU A 57 -7.286 2.983 -3.791 1.00 0.00 C ATOM 913 C LEU A 57 -7.056 3.240 -2.305 1.00 0.00 C ATOM 914 O LEU A 57 -7.349 2.389 -1.465 1.00 0.00 O ATOM 915 CB LEU A 57 -8.656 2.336 -4.003 1.00 0.00 C ATOM 916 CG LEU A 57 -8.988 1.922 -5.437 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.098 0.882 -5.449 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.384 3.136 -6.265 1.00 0.00 C ATOM 0 H LEU A 57 -6.367 1.135 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.257 3.939 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.721 1.453 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.421 3.033 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.097 1.479 -5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.321 0.599 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.778 0.001 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.992 1.299 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.617 2.822 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.260 3.609 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.559 3.848 -6.285 1.00 0.00 H new ATOM 930 N VAL A 58 -6.533 4.420 -1.988 1.00 0.00 N ATOM 931 CA VAL A 58 -6.268 4.791 -0.603 1.00 0.00 C ATOM 932 C VAL A 58 -7.533 5.291 0.084 1.00 0.00 C ATOM 933 O VAL A 58 -8.266 6.114 -0.465 1.00 0.00 O ATOM 934 CB VAL A 58 -5.182 5.880 -0.512 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.847 6.180 0.941 1.00 0.00 C ATOM 936 CG2 VAL A 58 -3.938 5.456 -1.278 1.00 0.00 C ATOM 0 H VAL A 58 -6.284 5.135 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.915 3.893 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.568 6.793 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.078 6.951 0.985 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.742 6.529 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.481 5.274 1.424 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.181 6.237 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.548 4.531 -0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.193 5.297 -2.326 1.00 0.00 H new ATOM 946 N TRP A 59 -7.783 4.791 1.289 1.00 0.00 N ATOM 947 CA TRP A 59 -8.961 5.188 2.052 1.00 0.00 C ATOM 948 C TRP A 59 -8.561 5.814 3.383 1.00 0.00 C ATOM 949 O TRP A 59 -8.925 5.317 4.448 1.00 0.00 O ATOM 950 CB TRP A 59 -9.868 3.981 2.294 1.00 0.00 C ATOM 951 CG TRP A 59 -10.700 3.614 1.103 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.850 4.223 0.689 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.447 2.555 0.174 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.328 3.605 -0.442 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.485 2.579 -0.779 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.445 1.589 0.053 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.547 1.675 -1.835 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.508 0.691 -0.996 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.552 0.740 -1.929 1.00 0.00 C ATOM 0 H TRP A 59 -7.186 4.110 1.759 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.506 5.932 1.471 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.254 3.126 2.577 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.526 4.194 3.136 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.315 5.066 1.178 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.174 3.868 -0.948 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.635 1.545 0.766 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.352 1.710 -2.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.740 -0.061 -1.098 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.572 0.026 -2.739 1.00 0.00 H new ATOM 970 N GLY A 60 -7.809 6.909 3.316 1.00 0.00 N ATOM 971 CA GLY A 60 -7.373 7.585 4.523 1.00 0.00 C ATOM 972 C GLY A 60 -7.433 9.094 4.397 1.00 0.00 C ATOM 973 O GLY A 60 -8.080 9.624 3.492 1.00 0.00 O ATOM 0 H GLY A 60 -7.494 7.340 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.997 7.268 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.352 7.283 4.756 1.00 0.00 H new ATOM 977 N LEU A 61 -6.759 9.790 5.307 1.00 0.00 N ATOM 978 CA LEU A 61 -6.740 11.248 5.294 1.00 0.00 C ATOM 979 C LEU A 61 -5.737 11.771 4.272 1.00 0.00 C ATOM 980 O LEU A 61 -5.947 12.819 3.661 1.00 0.00 O ATOM 981 CB LEU A 61 -6.395 11.785 6.685 1.00 0.00 C ATOM 982 CG LEU A 61 -7.150 11.154 7.855 1.00 0.00 C ATOM 983 CD1 LEU A 61 -6.350 11.287 9.141 1.00 0.00 C ATOM 984 CD2 LEU A 61 -8.523 11.792 8.010 1.00 0.00 C ATOM 0 H LEU A 61 -6.219 9.368 6.062 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.733 11.597 5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.327 11.646 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.582 12.859 6.695 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.286 10.093 7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -6.903 10.832 9.963 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.391 10.782 9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.182 12.342 9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.046 11.331 8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.409 12.860 8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.099 11.643 7.096 1.00 0.00 H new ATOM 996 N SER A 62 -4.647 11.033 4.088 1.00 0.00 N ATOM 997 CA SER A 62 -3.610 11.423 3.140 1.00 0.00 C ATOM 998 C SER A 62 -4.225 12.004 1.871 1.00 0.00 C ATOM 999 O SER A 62 -3.597 12.798 1.170 1.00 0.00 O ATOM 1000 CB SER A 62 -2.731 10.220 2.790 1.00 0.00 C ATOM 1001 OG SER A 62 -2.197 10.342 1.483 1.00 0.00 O ATOM 0 H SER A 62 -4.459 10.161 4.583 1.00 0.00 H new ATOM 0 HA SER A 62 -2.994 12.190 3.608 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.919 10.137 3.512 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.317 9.304 2.863 1.00 0.00 H new ATOM 0 HG SER A 62 -1.638 9.562 1.284 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.458 11.602 1.581 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.160 12.083 0.397 1.00 0.00 C ATOM 1009 C VAL A 63 -7.327 12.986 0.779 1.00 0.00 C ATOM 1010 O VAL A 63 -7.594 13.209 1.961 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.688 10.914 -0.456 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.533 10.116 -1.041 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.600 10.021 0.372 1.00 0.00 C ATOM 0 H VAL A 63 -5.992 10.944 2.150 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.439 12.654 -0.188 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.270 11.323 -1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.925 9.294 -1.640 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.924 10.765 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.921 9.716 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.964 9.200 -0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.044 9.619 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.446 10.603 0.737 1.00 0.00 H new ATOM 1023 N LYS A 64 -8.022 13.505 -0.228 1.00 0.00 N ATOM 1024 CA LYS A 64 -9.163 14.383 0.001 1.00 0.00 C ATOM 1025 C LYS A 64 -10.469 13.684 -0.360 1.00 0.00 C ATOM 1026 O LYS A 64 -11.398 13.628 0.447 1.00 0.00 O ATOM 1027 CB LYS A 64 -9.016 15.667 -0.819 1.00 0.00 C ATOM 1028 CG LYS A 64 -8.134 16.713 -0.160 1.00 0.00 C ATOM 1029 CD LYS A 64 -8.546 18.121 -0.556 1.00 0.00 C ATOM 1030 CE LYS A 64 -7.756 19.169 0.212 1.00 0.00 C ATOM 1031 NZ LYS A 64 -8.284 19.361 1.591 1.00 0.00 N ATOM 0 H LYS A 64 -7.814 13.332 -1.212 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.188 14.636 1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.602 15.418 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.004 16.093 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.191 16.608 0.923 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.095 16.544 -0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.391 18.259 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.611 18.256 -0.368 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.709 18.870 0.262 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.791 20.117 -0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.719 20.083 2.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.276 19.671 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.227 18.463 2.113 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.533 13.149 -1.575 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.726 12.450 -2.041 1.00 0.00 C ATOM 1047 C HIS A 65 -11.451 10.959 -2.210 1.00 0.00 C ATOM 1048 O HIS A 65 -10.683 10.555 -3.082 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.207 13.046 -3.364 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.326 14.538 -3.342 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -13.505 15.195 -3.059 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -11.405 15.504 -3.567 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -13.304 16.499 -3.113 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.037 16.713 -3.419 1.00 0.00 N ATOM 0 H HIS A 65 -9.773 13.186 -2.255 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.507 12.574 -1.290 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.516 12.757 -4.156 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.177 12.616 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -10.365 15.352 -3.817 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -14.049 17.261 -2.937 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -11.600 17.628 -3.528 1.00 0.00 H new ATOM 1063 N ASN A 66 -12.083 10.147 -1.369 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.905 8.700 -1.425 1.00 0.00 C ATOM 1065 C ASN A 66 -13.171 8.016 -1.931 1.00 0.00 C ATOM 1066 O ASN A 66 -14.287 8.500 -1.741 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.536 8.157 -0.044 1.00 0.00 C ATOM 1068 CG ASN A 66 -10.782 9.172 0.794 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -11.185 10.330 0.897 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -9.680 8.740 1.396 1.00 0.00 N ATOM 0 H ASN A 66 -12.723 10.466 -0.641 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.094 8.485 -2.121 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.444 7.859 0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.926 7.261 -0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.130 9.377 1.972 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.383 7.771 1.282 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.996 6.861 -2.591 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.673 6.275 -2.824 1.00 0.00 C ATOM 1079 C PRO A 67 -10.849 7.083 -3.821 1.00 0.00 C ATOM 1080 O PRO A 67 -11.375 7.579 -4.817 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.993 4.891 -3.394 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.342 5.036 -4.008 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.077 6.039 -3.161 1.00 0.00 C ATOM 0 HA PRO A 67 -11.073 6.248 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.252 4.587 -4.133 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.994 4.131 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.266 5.378 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.867 4.081 -4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.767 6.638 -3.755 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.666 5.553 -2.383 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.555 7.211 -3.545 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.659 7.960 -4.419 1.00 0.00 C ATOM 1093 C GLN A 68 -7.700 7.024 -5.147 1.00 0.00 C ATOM 1094 O GLN A 68 -7.099 6.137 -4.539 1.00 0.00 O ATOM 1095 CB GLN A 68 -7.869 8.991 -3.611 1.00 0.00 C ATOM 1096 CG GLN A 68 -6.899 9.808 -4.450 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.659 11.193 -3.882 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.583 11.844 -3.393 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.414 11.651 -3.943 1.00 0.00 N ATOM 0 H GLN A 68 -9.104 6.806 -2.724 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.266 8.478 -5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.568 9.667 -3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.314 8.477 -2.826 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.949 9.278 -4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.288 9.898 -5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.679 11.077 -4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.192 12.577 -3.576 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.561 7.225 -6.453 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.675 6.400 -7.265 1.00 0.00 C ATOM 1110 C LYS A 69 -5.237 6.902 -7.182 1.00 0.00 C ATOM 1111 O LYS A 69 -4.968 8.085 -7.392 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.142 6.396 -8.722 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.426 5.373 -9.587 1.00 0.00 C ATOM 1114 CD LYS A 69 -6.968 5.367 -11.007 1.00 0.00 C ATOM 1115 CE LYS A 69 -8.282 4.606 -11.098 1.00 0.00 C ATOM 1116 NZ LYS A 69 -9.454 5.492 -10.854 1.00 0.00 N ATOM 0 H LYS A 69 -8.051 7.953 -6.972 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.709 5.382 -6.876 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.213 6.198 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.990 7.388 -9.146 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.359 5.593 -9.605 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.540 4.381 -9.149 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.116 6.392 -11.346 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.236 4.913 -11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.370 4.150 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.283 3.794 -10.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.867 5.274 -9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.148 6.486 -10.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.167 5.336 -11.595 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.315 5.994 -6.876 1.00 0.00 N ATOM 1131 CA VAL A 70 -2.904 6.345 -6.769 1.00 0.00 C ATOM 1132 C VAL A 70 -2.028 5.321 -7.482 1.00 0.00 C ATOM 1133 O VAL A 70 -2.504 4.270 -7.909 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.461 6.446 -5.297 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.434 7.307 -4.505 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.340 5.060 -4.681 1.00 0.00 C ATOM 0 H VAL A 70 -4.520 5.011 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.783 7.318 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.481 6.921 -5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.105 7.367 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.466 8.308 -4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.429 6.863 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.026 5.150 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.306 4.556 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.601 4.479 -5.234 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.742 5.635 -7.607 1.00 0.00 N ATOM 1147 CA GLY A 71 0.182 4.732 -8.269 1.00 0.00 C ATOM 1148 C GLY A 71 1.206 4.150 -7.316 1.00 0.00 C ATOM 1149 O GLY A 71 0.905 3.892 -6.150 1.00 0.00 O ATOM 0 H GLY A 71 -0.323 6.499 -7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.378 3.921 -8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.696 5.265 -9.069 1.00 0.00 H new ATOM 1153 N LYS A 72 2.421 3.939 -7.812 1.00 0.00 N ATOM 1154 CA LYS A 72 3.494 3.382 -6.997 1.00 0.00 C ATOM 1155 C LYS A 72 4.389 4.488 -6.446 1.00 0.00 C ATOM 1156 O LYS A 72 5.372 4.218 -5.756 1.00 0.00 O ATOM 1157 CB LYS A 72 4.329 2.399 -7.821 1.00 0.00 C ATOM 1158 CG LYS A 72 5.372 3.071 -8.697 1.00 0.00 C ATOM 1159 CD LYS A 72 4.766 4.195 -9.522 1.00 0.00 C ATOM 1160 CE LYS A 72 5.779 4.783 -10.492 1.00 0.00 C ATOM 1161 NZ LYS A 72 5.119 5.408 -11.672 1.00 0.00 N ATOM 0 H LYS A 72 2.687 4.146 -8.775 1.00 0.00 H new ATOM 0 HA LYS A 72 3.042 2.853 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.828 1.704 -7.145 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.663 1.809 -8.451 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.173 3.467 -8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.822 2.333 -9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.906 3.818 -10.076 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.399 4.978 -8.858 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.384 5.529 -9.977 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.457 3.999 -10.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.843 5.797 -12.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.562 4.691 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.491 6.173 -11.354 1.00 0.00 H new ATOM 1175 N ASP A 73 4.041 5.732 -6.755 1.00 0.00 N ATOM 1176 CA ASP A 73 4.812 6.879 -6.288 1.00 0.00 C ATOM 1177 C ASP A 73 4.112 7.564 -5.118 1.00 0.00 C ATOM 1178 O ASP A 73 4.641 8.509 -4.532 1.00 0.00 O ATOM 1179 CB ASP A 73 5.022 7.877 -7.428 1.00 0.00 C ATOM 1180 CG ASP A 73 3.768 8.670 -7.742 1.00 0.00 C ATOM 1181 OD1 ASP A 73 2.845 8.100 -8.360 1.00 0.00 O ATOM 1182 OD2 ASP A 73 3.710 9.860 -7.369 1.00 0.00 O ATOM 0 H ASP A 73 3.231 5.972 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 73 5.783 6.519 -5.947 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.826 8.564 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.343 7.341 -8.321 1.00 0.00 H new ATOM 1187 N HIS A 74 2.919 7.082 -4.784 1.00 0.00 N ATOM 1188 CA HIS A 74 2.146 7.648 -3.685 1.00 0.00 C ATOM 1189 C HIS A 74 2.706 7.197 -2.339 1.00 0.00 C ATOM 1190 O HIS A 74 3.199 6.077 -2.203 1.00 0.00 O ATOM 1191 CB HIS A 74 0.677 7.240 -3.802 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.152 7.640 -2.621 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.816 8.846 -2.542 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.425 6.986 -1.468 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.460 8.917 -1.391 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.239 7.800 -0.721 1.00 0.00 N ATOM 0 H HIS A 74 2.467 6.301 -5.259 1.00 0.00 H new ATOM 0 HA HIS A 74 2.219 8.734 -3.744 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.254 7.689 -4.701 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.618 6.159 -3.928 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.069 6.006 -1.188 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.064 9.747 -1.055 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.613 7.579 0.202 1.00 0.00 H new ATOM 1205 N THR A 75 2.626 8.077 -1.345 1.00 0.00 N ATOM 1206 CA THR A 75 3.126 7.770 -0.011 1.00 0.00 C ATOM 1207 C THR A 75 2.029 7.173 0.863 1.00 0.00 C ATOM 1208 O THR A 75 0.925 7.713 0.946 1.00 0.00 O ATOM 1209 CB THR A 75 3.691 9.025 0.680 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.733 9.597 -0.119 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.232 8.686 2.060 1.00 0.00 C ATOM 0 H THR A 75 2.220 9.008 -1.439 1.00 0.00 H new ATOM 0 HA THR A 75 3.927 7.041 -0.134 1.00 0.00 H new ATOM 0 HB THR A 75 2.882 9.746 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.086 10.395 0.326 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.626 9.588 2.528 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.430 8.278 2.675 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.029 7.948 1.967 1.00 0.00 H new ATOM 1219 N LEU A 76 2.339 6.058 1.515 1.00 0.00 N ATOM 1220 CA LEU A 76 1.379 5.388 2.385 1.00 0.00 C ATOM 1221 C LEU A 76 1.374 6.015 3.775 1.00 0.00 C ATOM 1222 O LEU A 76 2.426 6.346 4.321 1.00 0.00 O ATOM 1223 CB LEU A 76 1.707 3.897 2.487 1.00 0.00 C ATOM 1224 CG LEU A 76 1.301 3.037 1.290 1.00 0.00 C ATOM 1225 CD1 LEU A 76 2.019 1.697 1.326 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.207 2.835 1.265 1.00 0.00 C ATOM 0 H LEU A 76 3.248 5.599 1.458 1.00 0.00 H new ATOM 0 HA LEU A 76 0.387 5.507 1.949 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.781 3.791 2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.220 3.498 3.377 1.00 0.00 H new ATOM 0 HG LEU A 76 1.593 3.558 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.717 1.099 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.096 1.860 1.294 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.759 1.170 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.478 2.221 0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.523 2.337 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.703 3.803 1.189 1.00 0.00 H new ATOM 1238 N GLU A 77 0.182 6.173 4.343 1.00 0.00 N ATOM 1239 CA GLU A 77 0.041 6.760 5.671 1.00 0.00 C ATOM 1240 C GLU A 77 -0.415 5.712 6.682 1.00 0.00 C ATOM 1241 O GLU A 77 -1.032 4.711 6.319 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.955 7.920 5.637 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.316 9.263 5.328 1.00 0.00 C ATOM 1244 CD GLU A 77 0.326 9.302 3.954 1.00 0.00 C ATOM 1245 OE1 GLU A 77 0.050 8.390 3.146 1.00 0.00 O ATOM 1246 OE2 GLU A 77 1.102 10.242 3.687 1.00 0.00 O ATOM 0 H GLU A 77 -0.699 5.903 3.905 1.00 0.00 H new ATOM 0 HA GLU A 77 1.016 7.138 5.979 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.719 7.710 4.888 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.461 7.981 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.073 10.045 5.394 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.438 9.485 6.083 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.107 5.951 7.952 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.485 5.030 9.017 1.00 0.00 C ATOM 1255 C ASP A 78 -2.003 4.927 9.134 1.00 0.00 C ATOM 1256 O ASP A 78 -2.713 5.924 9.004 1.00 0.00 O ATOM 1257 CB ASP A 78 0.112 5.485 10.350 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.695 6.593 10.997 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -0.981 7.596 10.311 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -1.039 6.459 12.190 1.00 0.00 O ATOM 0 H ASP A 78 0.404 6.775 8.269 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.090 4.045 8.768 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.166 4.635 11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.133 5.830 10.189 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.492 3.716 9.378 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.925 3.484 9.510 1.00 0.00 C ATOM 1267 C GLU A 79 -4.655 3.837 8.216 1.00 0.00 C ATOM 1268 O GLU A 79 -5.628 4.590 8.226 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.493 4.305 10.669 1.00 0.00 C ATOM 1270 CG GLU A 79 -4.259 3.677 12.032 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.300 4.693 13.158 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -3.430 5.588 13.179 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -5.201 4.592 14.016 1.00 0.00 O ATOM 0 H GLU A 79 -1.917 2.881 9.488 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.078 2.425 9.716 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.044 5.298 10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.564 4.437 10.518 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.015 2.912 12.210 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.291 3.175 12.035 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.176 3.287 7.106 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.782 3.543 5.804 1.00 0.00 C ATOM 1282 C ASP A 80 -5.021 2.239 5.050 1.00 0.00 C ATOM 1283 O ASP A 80 -4.192 1.329 5.084 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.890 4.469 4.976 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.056 5.927 5.357 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -4.120 6.219 6.569 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.123 6.776 4.443 1.00 0.00 O ATOM 0 H ASP A 80 -3.371 2.662 7.081 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.744 4.029 5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.848 4.178 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.124 4.344 3.919 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.161 2.154 4.371 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.510 0.961 3.609 1.00 0.00 C ATOM 1294 C VAL A 81 -6.191 1.141 2.129 1.00 0.00 C ATOM 1295 O VAL A 81 -6.514 2.171 1.536 1.00 0.00 O ATOM 1296 CB VAL A 81 -8.002 0.613 3.763 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.364 -0.585 2.898 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.340 0.349 5.222 1.00 0.00 C ATOM 0 H VAL A 81 -6.858 2.897 4.333 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.911 0.143 4.010 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.592 1.465 3.426 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.422 -0.816 3.020 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.162 -0.353 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.768 -1.446 3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.398 0.105 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.743 -0.486 5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.122 1.239 5.813 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.556 0.134 1.539 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.195 0.181 0.128 1.00 0.00 C ATOM 1310 C ILE A 82 -5.601 -1.103 -0.587 1.00 0.00 C ATOM 1311 O ILE A 82 -5.495 -2.195 -0.028 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.682 0.403 -0.059 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.339 0.503 -1.547 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.897 -0.723 0.597 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.912 0.930 -1.811 1.00 0.00 C ATOM 0 H ILE A 82 -5.281 -0.724 2.016 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.734 1.022 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.405 1.341 0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.513 -0.465 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -4.016 1.214 -2.021 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.830 -0.552 0.457 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.123 -0.751 1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.175 -1.674 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.740 0.980 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.738 1.912 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.228 0.207 -1.367 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.065 -0.964 -1.824 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.486 -2.114 -2.616 1.00 0.00 C ATOM 1329 C GLN A 83 -5.650 -2.237 -3.885 1.00 0.00 C ATOM 1330 O GLN A 83 -5.902 -1.549 -4.875 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.968 -1.997 -2.976 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.445 -3.069 -3.942 1.00 0.00 C ATOM 1333 CD GLN A 83 -9.895 -2.886 -4.346 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.515 -1.869 -4.034 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.445 -3.874 -5.043 1.00 0.00 N ATOM 0 H GLN A 83 -6.159 -0.067 -2.300 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.335 -3.011 -2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.561 -2.052 -2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.150 -1.016 -3.415 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.818 -3.054 -4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.321 -4.049 -3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.894 -4.699 -5.280 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.418 -3.807 -5.341 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.654 -3.115 -3.849 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.781 -3.328 -4.997 1.00 0.00 C ATOM 1346 C ILE A 84 -4.551 -3.930 -6.168 1.00 0.00 C ATOM 1347 O ILE A 84 -5.045 -5.055 -6.088 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.601 -4.252 -4.644 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.662 -3.560 -3.653 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.848 -4.654 -5.903 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.315 -2.139 -4.041 1.00 0.00 C ATOM 0 H ILE A 84 -4.431 -3.691 -3.037 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.393 -2.351 -5.284 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.993 -5.155 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.127 -3.556 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.743 -4.140 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.017 -5.307 -5.637 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.522 -5.182 -6.578 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.464 -3.762 -6.398 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.647 -1.711 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.822 -2.137 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.227 -1.544 -4.096 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.646 -3.175 -7.258 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.352 -3.635 -8.447 1.00 0.00 C ATOM 1365 C VAL A 85 -4.378 -3.952 -9.576 1.00 0.00 C ATOM 1366 O VAL A 85 -3.786 -3.052 -10.172 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.366 -2.585 -8.939 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.788 -2.878 -10.371 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.575 -2.540 -8.017 1.00 0.00 C ATOM 0 H VAL A 85 -4.243 -2.242 -7.342 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.887 -4.542 -8.166 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.886 -1.606 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.504 -2.125 -10.700 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.913 -2.855 -11.020 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.250 -3.864 -10.420 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.281 -1.793 -8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.057 -3.517 -8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.254 -2.277 -7.009 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.217 -5.238 -9.867 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.316 -5.677 -10.926 1.00 0.00 C ATOM 1381 C LYS A 86 -3.989 -5.572 -12.291 1.00 0.00 C ATOM 1382 O LYS A 86 -5.082 -6.101 -12.498 1.00 0.00 O ATOM 1383 CB LYS A 86 -2.866 -7.118 -10.677 1.00 0.00 C ATOM 1384 CG LYS A 86 -1.870 -7.256 -9.539 1.00 0.00 C ATOM 1385 CD LYS A 86 -1.698 -8.707 -9.121 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.739 -9.118 -8.091 1.00 0.00 C ATOM 1387 NZ LYS A 86 -3.001 -10.584 -8.122 1.00 0.00 N ATOM 0 H LYS A 86 -4.699 -5.996 -9.384 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.443 -5.024 -10.919 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.741 -7.730 -10.459 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.419 -7.513 -11.589 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.907 -6.848 -9.846 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.208 -6.668 -8.685 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.777 -9.351 -9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.700 -8.852 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.399 -8.831 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.668 -8.579 -8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.716 -10.824 -7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.350 -10.854 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.120 -11.098 -7.918 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.330 -4.888 -13.220 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.862 -4.716 -14.566 1.00 0.00 C ATOM 1403 C LYS A 87 -3.886 -6.045 -15.316 1.00 0.00 C ATOM 1404 O LYS A 87 -3.371 -7.052 -14.830 1.00 0.00 O ATOM 1405 CB LYS A 87 -3.025 -3.696 -15.341 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.548 -4.043 -15.403 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.687 -2.796 -15.515 1.00 0.00 C ATOM 1408 CE LYS A 87 0.781 -3.147 -15.705 1.00 0.00 C ATOM 1409 NZ LYS A 87 1.542 -2.032 -16.333 1.00 0.00 N ATOM 0 H LYS A 87 -2.425 -4.443 -13.065 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.885 -4.348 -14.481 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.414 -3.616 -16.356 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.140 -2.716 -14.877 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.267 -4.602 -14.510 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.362 -4.693 -16.258 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.029 -2.191 -16.355 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.804 -2.190 -14.617 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.224 -3.390 -14.739 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.864 -4.038 -16.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.538 -2.311 -16.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.136 -1.816 -17.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.485 -1.188 -15.727 1.00 0.00 H new