USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 706 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 12 CYS SG : rot 74:sc= -6.97! USER MOD Set 1.2: A 64 MET CE :methyl 161:sc= -0.331 (180deg=-0.488) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= -0.381 (180deg=-0.456) USER MOD Single : A 13 SER OG : rot 105:sc= -0.987 USER MOD Single : A 14 HIS :FLIP no HE2:sc= -4.75! C(o=-5.5!,f=-4.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.895 K(o=-0.9,f=-2.4!) USER MOD Single : A 27 GLN : amide:sc= -1.13 K(o=-1.1,f=-8.5!) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0202 (180deg=-0.337) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -159:sc= -7.38! USER MOD Single : A 51 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.592) USER MOD Single : A 55 SER OG : rot 63:sc= 0.0894 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 81 SER OG : rot 160:sc= -0.892 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -110:sc= -1.44 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -9.48! C(o=-9.5!,f=-14!) USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= 0.0929 (180deg=-0.00686) USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 7.305 8.311 1.136 1.00 0.00 N ATOM 99 CA LYS A 9 6.291 7.479 0.525 1.00 0.00 C ATOM 100 C LYS A 9 6.090 6.200 1.310 1.00 0.00 C ATOM 101 O LYS A 9 6.949 5.793 2.094 1.00 0.00 O ATOM 102 CB LYS A 9 6.712 7.132 -0.897 1.00 0.00 C ATOM 103 CG LYS A 9 6.494 8.245 -1.904 1.00 0.00 C ATOM 104 CD LYS A 9 7.243 9.506 -1.522 1.00 0.00 C ATOM 105 CE LYS A 9 6.353 10.455 -0.747 1.00 0.00 C ATOM 106 NZ LYS A 9 6.403 11.840 -1.291 1.00 0.00 N ATOM 0 HA LYS A 9 5.352 8.032 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.768 6.862 -0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.159 6.251 -1.222 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.821 7.913 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.429 8.464 -1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.114 9.247 -0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.611 10.000 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.326 10.092 -0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.659 10.466 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.779 12.456 -0.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.378 12.198 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.086 11.836 -2.282 1.00 0.00 H new ATOM 120 N ILE A 10 4.958 5.555 1.076 1.00 0.00 N ATOM 121 CA ILE A 10 4.653 4.304 1.744 1.00 0.00 C ATOM 122 C ILE A 10 4.684 3.180 0.745 1.00 0.00 C ATOM 123 O ILE A 10 4.063 3.245 -0.316 1.00 0.00 O ATOM 124 CB ILE A 10 3.283 4.289 2.446 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.946 5.662 3.024 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.270 3.232 3.541 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.631 6.199 2.524 1.00 0.00 C ATOM 0 H ILE A 10 4.238 5.878 0.430 1.00 0.00 H new ATOM 0 HA ILE A 10 5.413 4.182 2.515 1.00 0.00 H new ATOM 0 HB ILE A 10 2.521 4.042 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.916 5.596 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.740 6.363 2.769 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.297 3.229 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.459 2.252 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.045 3.457 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.445 7.177 2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.666 6.294 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.829 5.515 2.802 1.00 0.00 H new ATOM 139 N LYS A 11 5.411 2.154 1.097 1.00 0.00 N ATOM 140 CA LYS A 11 5.545 0.993 0.251 1.00 0.00 C ATOM 141 C LYS A 11 4.540 -0.055 0.690 1.00 0.00 C ATOM 142 O LYS A 11 4.757 -0.764 1.670 1.00 0.00 O ATOM 143 CB LYS A 11 6.980 0.479 0.319 1.00 0.00 C ATOM 144 CG LYS A 11 8.017 1.604 0.276 1.00 0.00 C ATOM 145 CD LYS A 11 9.068 1.435 1.361 1.00 0.00 C ATOM 146 CE LYS A 11 10.319 0.761 0.823 1.00 0.00 C ATOM 147 NZ LYS A 11 11.559 1.468 1.245 1.00 0.00 N ATOM 0 H LYS A 11 5.927 2.097 1.975 1.00 0.00 H new ATOM 0 HA LYS A 11 5.336 1.245 -0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.112 -0.095 1.236 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.156 -0.203 -0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.500 1.618 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.518 2.565 0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.327 2.410 1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.657 0.843 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.353 -0.271 1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.273 0.728 -0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.384 1.016 0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.509 2.464 0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.652 1.419 2.280 1.00 0.00 H new ATOM 161 N CYS A 12 3.412 -0.097 -0.009 1.00 0.00 N ATOM 162 CA CYS A 12 2.330 -1.004 0.331 1.00 0.00 C ATOM 163 C CYS A 12 1.903 -1.854 -0.866 1.00 0.00 C ATOM 164 O CYS A 12 2.451 -1.737 -1.959 1.00 0.00 O ATOM 165 CB CYS A 12 1.150 -0.181 0.874 1.00 0.00 C ATOM 166 SG CYS A 12 -0.153 0.185 -0.331 1.00 0.00 S ATOM 0 H CYS A 12 3.225 0.493 -0.820 1.00 0.00 H new ATOM 0 HA CYS A 12 2.677 -1.699 1.095 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.707 -0.719 1.712 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.534 0.760 1.267 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.842 -0.892 -0.566 1.00 0.00 H new ATOM 172 N SER A 13 0.911 -2.708 -0.637 1.00 0.00 N ATOM 173 CA SER A 13 0.370 -3.582 -1.673 1.00 0.00 C ATOM 174 C SER A 13 -1.137 -3.356 -1.790 1.00 0.00 C ATOM 175 O SER A 13 -1.758 -2.828 -0.868 1.00 0.00 O ATOM 176 CB SER A 13 0.662 -5.050 -1.343 1.00 0.00 C ATOM 177 OG SER A 13 -0.343 -5.601 -0.509 1.00 0.00 O ATOM 0 H SER A 13 0.459 -2.814 0.271 1.00 0.00 H new ATOM 0 HA SER A 13 0.846 -3.345 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.728 -5.626 -2.266 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.630 -5.128 -0.849 1.00 0.00 H new ATOM 0 HG SER A 13 -0.920 -6.190 -1.038 1.00 0.00 H new ATOM 183 N HIS A 14 -1.725 -3.737 -2.920 1.00 0.00 N ATOM 184 CA HIS A 14 -3.161 -3.545 -3.118 1.00 0.00 C ATOM 185 C HIS A 14 -3.847 -4.804 -3.638 1.00 0.00 C ATOM 186 O HIS A 14 -3.269 -5.574 -4.403 1.00 0.00 O ATOM 187 CB HIS A 14 -3.410 -2.381 -4.080 1.00 0.00 C ATOM 188 CG HIS A 14 -2.976 -2.653 -5.489 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.195 -3.632 -6.008 1.00 0.00 N flip ATOM 190 CD2 HIS A 14 -3.353 -1.865 -6.554 1.00 0.00 C flip ATOM 191 CE1 HIS A 14 -2.120 -3.418 -7.362 1.00 0.00 C flip ATOM 192 NE2 HIS A 14 -2.826 -2.345 -7.666 1.00 0.00 N flip ATOM 0 H HIS A 14 -1.239 -4.174 -3.703 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.593 -3.316 -2.144 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.473 -2.142 -4.078 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.884 -1.500 -3.712 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -1.747 -4.387 -5.489 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.982 -0.990 -6.490 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.572 -4.029 -8.064 1.00 0.00 H new ATOM 201 N ILE A 15 -5.096 -4.993 -3.218 1.00 0.00 N ATOM 202 CA ILE A 15 -5.888 -6.144 -3.639 1.00 0.00 C ATOM 203 C ILE A 15 -7.377 -5.791 -3.676 1.00 0.00 C ATOM 204 O ILE A 15 -7.903 -5.194 -2.737 1.00 0.00 O ATOM 205 CB ILE A 15 -5.665 -7.361 -2.710 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.241 -7.908 -2.864 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.685 -8.459 -2.998 1.00 0.00 C ATOM 208 CD1 ILE A 15 -3.224 -7.207 -1.992 1.00 0.00 C ATOM 0 H ILE A 15 -5.582 -4.360 -2.583 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.557 -6.414 -4.642 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.799 -7.026 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.242 -8.971 -2.624 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.937 -7.817 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.508 -9.304 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.691 -8.073 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.586 -8.786 -4.033 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.240 -7.647 -2.155 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.194 -6.148 -2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.503 -7.320 -0.944 1.00 0.00 H new ATOM 220 N LEU A 16 -8.048 -6.157 -4.768 1.00 0.00 N ATOM 221 CA LEU A 16 -9.474 -5.870 -4.922 1.00 0.00 C ATOM 222 C LEU A 16 -10.288 -7.145 -5.077 1.00 0.00 C ATOM 223 O LEU A 16 -9.899 -8.055 -5.806 1.00 0.00 O ATOM 224 CB LEU A 16 -9.717 -4.975 -6.140 1.00 0.00 C ATOM 225 CG LEU A 16 -9.704 -3.477 -5.855 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.788 -3.112 -4.851 1.00 0.00 C ATOM 227 CD2 LEU A 16 -8.333 -3.058 -5.355 1.00 0.00 C ATOM 0 H LEU A 16 -7.629 -6.651 -5.556 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.795 -5.355 -4.016 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.956 -5.193 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.680 -5.237 -6.578 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.914 -2.939 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.762 -2.039 -4.661 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.763 -3.386 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.616 -3.650 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.331 -1.987 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.099 -3.600 -4.439 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.584 -3.286 -6.113 1.00 0.00 H new ATOM 239 N VAL A 17 -11.429 -7.192 -4.402 1.00 0.00 N ATOM 240 CA VAL A 17 -12.320 -8.340 -4.475 1.00 0.00 C ATOM 241 C VAL A 17 -13.771 -7.892 -4.309 1.00 0.00 C ATOM 242 O VAL A 17 -14.079 -7.087 -3.432 1.00 0.00 O ATOM 243 CB VAL A 17 -11.965 -9.390 -3.408 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.497 -9.780 -3.518 1.00 0.00 C ATOM 245 CG2 VAL A 17 -12.283 -8.872 -2.010 1.00 0.00 C ATOM 0 H VAL A 17 -11.760 -6.443 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.197 -8.800 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.573 -10.278 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.260 -10.523 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.305 -10.198 -4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.874 -8.898 -3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -12.024 -9.632 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.706 -7.967 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -13.347 -8.646 -1.939 1.00 0.00 H new ATOM 255 N LYS A 18 -14.656 -8.398 -5.163 1.00 0.00 N ATOM 256 CA LYS A 18 -16.064 -8.014 -5.103 1.00 0.00 C ATOM 257 C LYS A 18 -16.750 -8.604 -3.876 1.00 0.00 C ATOM 258 O LYS A 18 -17.592 -7.952 -3.257 1.00 0.00 O ATOM 259 CB LYS A 18 -16.792 -8.449 -6.377 1.00 0.00 C ATOM 260 CG LYS A 18 -17.020 -7.313 -7.363 1.00 0.00 C ATOM 261 CD LYS A 18 -16.491 -7.659 -8.747 1.00 0.00 C ATOM 262 CE LYS A 18 -16.665 -6.500 -9.717 1.00 0.00 C ATOM 263 NZ LYS A 18 -17.766 -6.749 -10.688 1.00 0.00 N ATOM 0 H LYS A 18 -14.428 -9.068 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 18 -16.109 -6.928 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.215 -9.234 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.754 -8.883 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.086 -7.092 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.528 -6.411 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.435 -7.922 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.014 -8.536 -9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.873 -5.587 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.733 -6.337 -10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -17.852 -5.936 -11.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.556 -7.606 -11.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -18.660 -6.879 -10.173 1.00 0.00 H new ATOM 277 N LYS A 19 -16.374 -9.822 -3.506 1.00 0.00 N ATOM 278 CA LYS A 19 -16.949 -10.455 -2.328 1.00 0.00 C ATOM 279 C LYS A 19 -16.355 -9.804 -1.083 1.00 0.00 C ATOM 280 O LYS A 19 -15.418 -10.314 -0.466 1.00 0.00 O ATOM 281 CB LYS A 19 -16.742 -11.970 -2.343 1.00 0.00 C ATOM 282 CG LYS A 19 -15.295 -12.393 -2.427 1.00 0.00 C ATOM 283 CD LYS A 19 -15.153 -13.793 -3.003 1.00 0.00 C ATOM 284 CE LYS A 19 -15.136 -14.848 -1.909 1.00 0.00 C ATOM 285 NZ LYS A 19 -15.948 -16.040 -2.272 1.00 0.00 N ATOM 0 H LYS A 19 -15.681 -10.385 -3.999 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.028 -10.303 -2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.182 -12.395 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.283 -12.392 -3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.744 -11.686 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.848 -12.361 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.978 -13.991 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.234 -13.856 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.108 -15.155 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.518 -14.417 -0.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.910 -16.735 -1.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.935 -15.753 -2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.568 -16.467 -3.141 1.00 0.00 H new ATOM 299 N GLN A 20 -16.896 -8.631 -0.766 1.00 0.00 N ATOM 300 CA GLN A 20 -16.439 -7.815 0.355 1.00 0.00 C ATOM 301 C GLN A 20 -16.230 -8.615 1.631 1.00 0.00 C ATOM 302 O GLN A 20 -15.441 -8.214 2.487 1.00 0.00 O ATOM 303 CB GLN A 20 -17.432 -6.683 0.615 1.00 0.00 C ATOM 304 CG GLN A 20 -18.882 -7.138 0.629 1.00 0.00 C ATOM 305 CD GLN A 20 -19.583 -6.891 -0.693 1.00 0.00 C ATOM 306 OE1 GLN A 20 -19.229 -5.978 -1.438 1.00 0.00 O ATOM 307 NE2 GLN A 20 -20.588 -7.707 -0.991 1.00 0.00 N ATOM 0 H GLN A 20 -17.671 -8.217 -1.284 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.468 -7.410 0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.197 -6.217 1.572 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.307 -5.918 -0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -18.923 -8.201 0.865 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -19.416 -6.615 1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.849 -8.452 -0.345 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.099 -7.589 -1.866 1.00 0.00 H new ATOM 316 N GLY A 21 -16.920 -9.736 1.773 1.00 0.00 N ATOM 317 CA GLY A 21 -16.746 -10.522 2.974 1.00 0.00 C ATOM 318 C GLY A 21 -15.357 -11.104 3.046 1.00 0.00 C ATOM 319 O GLY A 21 -14.797 -11.271 4.130 1.00 0.00 O ATOM 0 H GLY A 21 -17.583 -10.109 1.094 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.928 -9.899 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.482 -11.326 2.996 1.00 0.00 H new ATOM 323 N GLU A 22 -14.781 -11.372 1.885 1.00 0.00 N ATOM 324 CA GLU A 22 -13.431 -11.895 1.817 1.00 0.00 C ATOM 325 C GLU A 22 -12.444 -10.797 2.185 1.00 0.00 C ATOM 326 O GLU A 22 -11.456 -11.032 2.879 1.00 0.00 O ATOM 327 CB GLU A 22 -13.141 -12.424 0.413 1.00 0.00 C ATOM 328 CG GLU A 22 -12.787 -11.359 -0.608 1.00 0.00 C ATOM 329 CD GLU A 22 -11.521 -11.692 -1.370 1.00 0.00 C ATOM 330 OE1 GLU A 22 -11.590 -12.519 -2.304 1.00 0.00 O ATOM 331 OE2 GLU A 22 -10.460 -11.127 -1.035 1.00 0.00 O ATOM 0 H GLU A 22 -15.229 -11.235 0.979 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.327 -12.719 2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.320 -13.138 0.472 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.015 -12.971 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.612 -11.244 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.663 -10.401 -0.103 1.00 0.00 H new ATOM 338 N ALA A 23 -12.736 -9.591 1.708 1.00 0.00 N ATOM 339 CA ALA A 23 -11.897 -8.430 1.971 1.00 0.00 C ATOM 340 C ALA A 23 -11.601 -8.321 3.464 1.00 0.00 C ATOM 341 O ALA A 23 -10.512 -7.917 3.869 1.00 0.00 O ATOM 342 CB ALA A 23 -12.568 -7.162 1.455 1.00 0.00 C ATOM 0 H ALA A 23 -13.555 -9.393 1.133 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.951 -8.552 1.443 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.929 -6.303 1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.729 -7.247 0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.527 -7.028 1.956 1.00 0.00 H new ATOM 348 N LEU A 24 -12.583 -8.700 4.277 1.00 0.00 N ATOM 349 CA LEU A 24 -12.433 -8.668 5.727 1.00 0.00 C ATOM 350 C LEU A 24 -11.519 -9.794 6.197 1.00 0.00 C ATOM 351 O LEU A 24 -10.699 -9.612 7.096 1.00 0.00 O ATOM 352 CB LEU A 24 -13.800 -8.792 6.404 1.00 0.00 C ATOM 353 CG LEU A 24 -13.899 -8.151 7.790 1.00 0.00 C ATOM 354 CD1 LEU A 24 -12.799 -8.675 8.701 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.826 -6.635 7.685 1.00 0.00 C ATOM 0 H LEU A 24 -13.492 -9.033 3.955 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.984 -7.714 6.003 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.551 -8.339 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.050 -9.849 6.491 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.862 -8.420 8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.886 -8.208 9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.896 -9.756 8.804 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.826 -8.437 8.271 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.898 -6.197 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.878 -6.347 7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.649 -6.273 7.069 1.00 0.00 H new ATOM 367 N ALA A 25 -11.677 -10.962 5.582 1.00 0.00 N ATOM 368 CA ALA A 25 -10.882 -12.134 5.932 1.00 0.00 C ATOM 369 C ALA A 25 -9.450 -12.012 5.425 1.00 0.00 C ATOM 370 O ALA A 25 -8.501 -12.251 6.170 1.00 0.00 O ATOM 371 CB ALA A 25 -11.533 -13.390 5.375 1.00 0.00 C ATOM 0 H ALA A 25 -12.352 -11.122 4.835 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.843 -12.200 7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.932 -14.260 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.533 -13.498 5.794 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.600 -13.314 4.290 1.00 0.00 H new ATOM 377 N VAL A 26 -9.297 -11.653 4.151 1.00 0.00 N ATOM 378 CA VAL A 26 -7.973 -11.514 3.552 1.00 0.00 C ATOM 379 C VAL A 26 -7.038 -10.722 4.457 1.00 0.00 C ATOM 380 O VAL A 26 -5.871 -11.066 4.597 1.00 0.00 O ATOM 381 CB VAL A 26 -8.029 -10.841 2.161 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.181 -11.401 1.338 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.139 -9.327 2.290 1.00 0.00 C ATOM 0 H VAL A 26 -10.071 -11.454 3.517 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.586 -12.525 3.429 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.098 -11.065 1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.202 -10.914 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.045 -12.474 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.122 -11.216 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.177 -8.879 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.047 -9.073 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.272 -8.944 2.828 1.00 0.00 H new ATOM 393 N GLN A 27 -7.552 -9.666 5.078 1.00 0.00 N ATOM 394 CA GLN A 27 -6.736 -8.856 5.970 1.00 0.00 C ATOM 395 C GLN A 27 -6.191 -9.726 7.104 1.00 0.00 C ATOM 396 O GLN A 27 -5.005 -9.669 7.430 1.00 0.00 O ATOM 397 CB GLN A 27 -7.538 -7.655 6.507 1.00 0.00 C ATOM 398 CG GLN A 27 -8.394 -7.943 7.733 1.00 0.00 C ATOM 399 CD GLN A 27 -7.670 -7.651 9.031 1.00 0.00 C ATOM 400 OE1 GLN A 27 -6.932 -8.489 9.546 1.00 0.00 O ATOM 401 NE2 GLN A 27 -7.880 -6.454 9.567 1.00 0.00 N ATOM 0 H GLN A 27 -8.519 -9.355 4.981 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.890 -8.452 5.414 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.841 -6.853 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.184 -7.285 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.303 -7.344 7.686 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.701 -8.989 7.720 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.501 -5.790 9.105 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.420 -6.199 10.441 1.00 0.00 H new ATOM 410 N GLU A 28 -7.063 -10.550 7.676 1.00 0.00 N ATOM 411 CA GLU A 28 -6.686 -11.463 8.747 1.00 0.00 C ATOM 412 C GLU A 28 -5.866 -12.632 8.201 1.00 0.00 C ATOM 413 O GLU A 28 -4.996 -13.171 8.882 1.00 0.00 O ATOM 414 CB GLU A 28 -7.942 -11.987 9.452 1.00 0.00 C ATOM 415 CG GLU A 28 -8.013 -11.648 10.926 1.00 0.00 C ATOM 416 CD GLU A 28 -6.694 -11.852 11.648 1.00 0.00 C ATOM 417 OE1 GLU A 28 -6.072 -12.918 11.461 1.00 0.00 O ATOM 418 OE2 GLU A 28 -6.285 -10.944 12.404 1.00 0.00 O ATOM 0 H GLU A 28 -8.047 -10.603 7.411 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.071 -10.919 9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.822 -11.579 8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.984 -13.070 9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.326 -10.610 11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.778 -12.265 11.398 1.00 0.00 H new ATOM 425 N ARG A 29 -6.183 -13.029 6.971 1.00 0.00 N ATOM 426 CA ARG A 29 -5.519 -14.151 6.314 1.00 0.00 C ATOM 427 C ARG A 29 -4.152 -13.756 5.758 1.00 0.00 C ATOM 428 O ARG A 29 -3.243 -14.583 5.675 1.00 0.00 O ATOM 429 CB ARG A 29 -6.417 -14.676 5.189 1.00 0.00 C ATOM 430 CG ARG A 29 -5.773 -15.741 4.317 1.00 0.00 C ATOM 431 CD ARG A 29 -5.729 -17.089 5.019 1.00 0.00 C ATOM 432 NE ARG A 29 -6.207 -18.170 4.160 1.00 0.00 N ATOM 433 CZ ARG A 29 -7.494 -18.433 3.945 1.00 0.00 C ATOM 434 NH1 ARG A 29 -8.434 -17.696 4.524 1.00 0.00 N ATOM 435 NH2 ARG A 29 -7.842 -19.436 3.151 1.00 0.00 N ATOM 0 H ARG A 29 -6.905 -12.584 6.404 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.352 -14.933 7.055 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.327 -15.085 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.715 -13.839 4.558 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.330 -15.834 3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.761 -15.434 4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.707 -17.301 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.338 -17.047 5.922 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.513 -18.758 3.698 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.171 -16.924 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.419 -17.902 4.356 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.124 -20.006 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.828 -19.638 2.986 1.00 0.00 H new ATOM 449 N LEU A 30 -4.014 -12.497 5.369 1.00 0.00 N ATOM 450 CA LEU A 30 -2.763 -11.997 4.810 1.00 0.00 C ATOM 451 C LEU A 30 -1.590 -12.304 5.739 1.00 0.00 C ATOM 452 O LEU A 30 -0.641 -12.987 5.351 1.00 0.00 O ATOM 453 CB LEU A 30 -2.870 -10.489 4.556 1.00 0.00 C ATOM 454 CG LEU A 30 -1.842 -9.914 3.578 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.429 -10.257 4.023 1.00 0.00 C ATOM 456 CD2 LEU A 30 -2.101 -10.426 2.166 1.00 0.00 C ATOM 0 H LEU A 30 -4.755 -11.799 5.430 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.580 -12.502 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.869 -10.271 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.770 -9.969 5.509 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.944 -8.829 3.572 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.287 -9.840 3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.247 -9.838 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.312 -11.340 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.360 -10.006 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.029 -11.514 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.099 -10.125 1.847 1.00 0.00 H new ATOM 468 N LYS A 31 -1.666 -11.804 6.966 1.00 0.00 N ATOM 469 CA LYS A 31 -0.615 -12.031 7.953 1.00 0.00 C ATOM 470 C LYS A 31 -0.625 -13.475 8.456 1.00 0.00 C ATOM 471 O LYS A 31 0.287 -13.898 9.166 1.00 0.00 O ATOM 472 CB LYS A 31 -0.785 -11.074 9.133 1.00 0.00 C ATOM 473 CG LYS A 31 -2.062 -11.307 9.923 1.00 0.00 C ATOM 474 CD LYS A 31 -3.070 -10.190 9.706 1.00 0.00 C ATOM 475 CE LYS A 31 -3.623 -9.671 11.024 1.00 0.00 C ATOM 476 NZ LYS A 31 -2.577 -8.989 11.835 1.00 0.00 N ATOM 0 H LYS A 31 -2.445 -11.238 7.303 1.00 0.00 H new ATOM 0 HA LYS A 31 0.343 -11.845 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.070 -11.178 9.801 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.778 -10.049 8.763 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.504 -12.258 9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.825 -11.382 10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.597 -9.372 9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.889 -10.554 9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.440 -8.976 10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.041 -10.501 11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.030 -8.356 12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.009 -9.700 12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.960 -8.433 11.209 1.00 0.00 H new ATOM 490 N ALA A 32 -1.662 -14.224 8.092 1.00 0.00 N ATOM 491 CA ALA A 32 -1.790 -15.613 8.516 1.00 0.00 C ATOM 492 C ALA A 32 -0.593 -16.442 8.067 1.00 0.00 C ATOM 493 O ALA A 32 -0.283 -17.476 8.657 1.00 0.00 O ATOM 494 CB ALA A 32 -3.076 -16.210 7.968 1.00 0.00 C ATOM 0 H ALA A 32 -2.426 -13.891 7.504 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.821 -15.631 9.605 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.162 -17.248 8.291 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.929 -15.642 8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.061 -16.169 6.879 1.00 0.00 H new ATOM 500 N GLY A 33 0.068 -15.985 7.012 1.00 0.00 N ATOM 501 CA GLY A 33 1.212 -16.694 6.490 1.00 0.00 C ATOM 502 C GLY A 33 1.387 -16.480 5.000 1.00 0.00 C ATOM 503 O GLY A 33 2.467 -16.710 4.456 1.00 0.00 O ATOM 0 H GLY A 33 -0.172 -15.131 6.508 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.111 -16.364 7.011 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.100 -17.759 6.692 1.00 0.00 H new ATOM 507 N GLU A 34 0.322 -16.035 4.337 1.00 0.00 N ATOM 508 CA GLU A 34 0.370 -15.788 2.901 1.00 0.00 C ATOM 509 C GLU A 34 0.979 -14.423 2.615 1.00 0.00 C ATOM 510 O GLU A 34 0.981 -13.540 3.473 1.00 0.00 O ATOM 511 CB GLU A 34 -1.030 -15.876 2.293 1.00 0.00 C ATOM 512 CG GLU A 34 -2.070 -15.061 3.042 1.00 0.00 C ATOM 513 CD GLU A 34 -3.282 -14.736 2.191 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.522 -15.458 1.199 1.00 0.00 O ATOM 515 OE2 GLU A 34 -3.991 -13.761 2.516 1.00 0.00 O ATOM 0 H GLU A 34 -0.580 -15.839 4.770 1.00 0.00 H new ATOM 0 HA GLU A 34 0.997 -16.554 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.990 -15.536 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.344 -16.920 2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.389 -15.612 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.617 -14.133 3.391 1.00 0.00 H new ATOM 522 N LYS A 35 1.500 -14.255 1.407 1.00 0.00 N ATOM 523 CA LYS A 35 2.118 -12.997 1.011 1.00 0.00 C ATOM 524 C LYS A 35 1.181 -12.173 0.144 1.00 0.00 C ATOM 525 O LYS A 35 0.461 -12.707 -0.699 1.00 0.00 O ATOM 526 CB LYS A 35 3.426 -13.260 0.265 1.00 0.00 C ATOM 527 CG LYS A 35 4.347 -12.051 0.209 1.00 0.00 C ATOM 528 CD LYS A 35 5.774 -12.416 0.591 1.00 0.00 C ATOM 529 CE LYS A 35 6.130 -11.909 1.980 1.00 0.00 C ATOM 530 NZ LYS A 35 6.752 -12.972 2.817 1.00 0.00 N ATOM 0 H LYS A 35 1.507 -14.975 0.684 1.00 0.00 H new ATOM 0 HA LYS A 35 2.331 -12.429 1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.951 -14.084 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.197 -13.580 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.335 -11.630 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.976 -11.278 0.882 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.895 -13.499 0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.465 -11.995 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.816 -11.067 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.231 -11.539 2.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.980 -12.586 3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.088 -13.765 2.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.624 -13.308 2.360 1.00 0.00 H new ATOM 544 N PHE A 36 1.203 -10.858 0.355 1.00 0.00 N ATOM 545 CA PHE A 36 0.365 -9.938 -0.408 1.00 0.00 C ATOM 546 C PHE A 36 0.421 -10.264 -1.897 1.00 0.00 C ATOM 547 O PHE A 36 -0.551 -10.068 -2.626 1.00 0.00 O ATOM 548 CB PHE A 36 0.822 -8.496 -0.175 1.00 0.00 C ATOM 549 CG PHE A 36 2.316 -8.347 -0.102 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.093 -8.456 -1.244 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.943 -8.103 1.109 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.466 -8.324 -1.180 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.316 -7.970 1.181 1.00 0.00 C ATOM 554 CZ PHE A 36 5.079 -8.082 0.035 1.00 0.00 C ATOM 0 H PHE A 36 1.795 -10.405 1.051 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.664 -10.049 -0.067 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.441 -7.867 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.382 -8.129 0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.619 -8.646 -2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.351 -8.016 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.060 -8.410 -2.078 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.792 -7.779 2.131 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.153 -7.981 0.088 1.00 0.00 H new ATOM 564 N GLY A 37 1.568 -10.772 -2.334 1.00 0.00 N ATOM 565 CA GLY A 37 1.739 -11.128 -3.728 1.00 0.00 C ATOM 566 C GLY A 37 0.787 -12.223 -4.159 1.00 0.00 C ATOM 567 O GLY A 37 0.219 -12.168 -5.250 1.00 0.00 O ATOM 0 H GLY A 37 2.383 -10.943 -1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.581 -10.246 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.765 -11.455 -3.895 1.00 0.00 H new ATOM 571 N LYS A 38 0.614 -13.218 -3.297 1.00 0.00 N ATOM 572 CA LYS A 38 -0.276 -14.332 -3.590 1.00 0.00 C ATOM 573 C LYS A 38 -1.693 -13.837 -3.855 1.00 0.00 C ATOM 574 O LYS A 38 -2.289 -14.169 -4.877 1.00 0.00 O ATOM 575 CB LYS A 38 -0.278 -15.327 -2.428 1.00 0.00 C ATOM 576 CG LYS A 38 -0.866 -16.682 -2.790 1.00 0.00 C ATOM 577 CD LYS A 38 0.028 -17.822 -2.327 1.00 0.00 C ATOM 578 CE LYS A 38 -0.786 -18.973 -1.756 1.00 0.00 C ATOM 579 NZ LYS A 38 0.002 -20.236 -1.699 1.00 0.00 N ATOM 0 H LYS A 38 1.078 -13.275 -2.391 1.00 0.00 H new ATOM 0 HA LYS A 38 0.088 -14.833 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.745 -15.466 -2.077 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.845 -14.904 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.852 -16.785 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.004 -16.743 -3.869 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.627 -18.179 -3.165 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.723 -17.457 -1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.129 -18.713 -0.754 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.675 -19.127 -2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.588 -20.996 -1.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.308 -20.498 -2.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.837 -20.097 -1.095 1.00 0.00 H new ATOM 593 N LEU A 39 -2.220 -13.033 -2.931 1.00 0.00 N ATOM 594 CA LEU A 39 -3.567 -12.489 -3.068 1.00 0.00 C ATOM 595 C LEU A 39 -3.729 -11.786 -4.411 1.00 0.00 C ATOM 596 O LEU A 39 -4.798 -11.827 -5.021 1.00 0.00 O ATOM 597 CB LEU A 39 -3.871 -11.495 -1.940 1.00 0.00 C ATOM 598 CG LEU A 39 -3.973 -12.084 -0.523 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.935 -13.258 -0.496 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.608 -12.505 0.001 1.00 0.00 C ATOM 0 H LEU A 39 -1.734 -12.746 -2.082 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.267 -13.322 -3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.093 -10.731 -1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.811 -10.993 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.359 -11.303 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.991 -13.659 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.924 -12.925 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.581 -14.034 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.715 -12.917 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.183 -13.261 -0.659 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.947 -11.639 0.033 1.00 0.00 H new ATOM 612 N ALA A 40 -2.656 -11.145 -4.869 1.00 0.00 N ATOM 613 CA ALA A 40 -2.677 -10.427 -6.140 1.00 0.00 C ATOM 614 C ALA A 40 -3.197 -11.325 -7.256 1.00 0.00 C ATOM 615 O ALA A 40 -4.141 -10.978 -7.967 1.00 0.00 O ATOM 616 CB ALA A 40 -1.283 -9.915 -6.474 1.00 0.00 C ATOM 0 H ALA A 40 -1.762 -11.108 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.351 -9.575 -6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.309 -9.381 -7.424 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.945 -9.240 -5.688 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.595 -10.757 -6.550 1.00 0.00 H new ATOM 622 N LYS A 41 -2.580 -12.483 -7.392 1.00 0.00 N ATOM 623 CA LYS A 41 -2.973 -13.454 -8.401 1.00 0.00 C ATOM 624 C LYS A 41 -4.094 -14.359 -7.888 1.00 0.00 C ATOM 625 O LYS A 41 -4.810 -14.980 -8.675 1.00 0.00 O ATOM 626 CB LYS A 41 -1.770 -14.300 -8.820 1.00 0.00 C ATOM 627 CG LYS A 41 -0.481 -13.506 -8.963 1.00 0.00 C ATOM 628 CD LYS A 41 0.701 -14.409 -9.287 1.00 0.00 C ATOM 629 CE LYS A 41 1.771 -14.336 -8.208 1.00 0.00 C ATOM 630 NZ LYS A 41 3.143 -14.359 -8.786 1.00 0.00 N ATOM 0 H LYS A 41 -1.796 -12.778 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.344 -12.906 -9.267 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.619 -15.090 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.993 -14.787 -9.769 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.597 -12.761 -9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.283 -12.964 -8.038 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.356 -15.438 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.130 -14.119 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.638 -13.425 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.652 -15.174 -7.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.844 -14.308 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.279 -15.240 -9.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.265 -13.545 -9.422 1.00 0.00 H new ATOM 644 N GLU A 42 -4.203 -14.476 -6.564 1.00 0.00 N ATOM 645 CA GLU A 42 -5.194 -15.361 -5.953 1.00 0.00 C ATOM 646 C GLU A 42 -6.623 -14.807 -5.993 1.00 0.00 C ATOM 647 O GLU A 42 -7.477 -15.360 -6.687 1.00 0.00 O ATOM 648 CB GLU A 42 -4.789 -15.666 -4.509 1.00 0.00 C ATOM 649 CG GLU A 42 -4.374 -17.110 -4.286 1.00 0.00 C ATOM 650 CD GLU A 42 -5.503 -17.961 -3.737 1.00 0.00 C ATOM 651 OE1 GLU A 42 -5.915 -17.728 -2.581 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.975 -18.862 -4.464 1.00 0.00 O ATOM 0 H GLU A 42 -3.620 -13.971 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.206 -16.274 -6.548 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.964 -15.012 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.624 -15.431 -3.849 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.028 -17.535 -5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.532 -17.140 -3.595 1.00 0.00 H new ATOM 659 N LEU A 43 -6.900 -13.736 -5.246 1.00 0.00 N ATOM 660 CA LEU A 43 -8.254 -13.175 -5.227 1.00 0.00 C ATOM 661 C LEU A 43 -8.308 -11.735 -5.728 1.00 0.00 C ATOM 662 O LEU A 43 -9.396 -11.190 -5.918 1.00 0.00 O ATOM 663 CB LEU A 43 -8.882 -13.256 -3.829 1.00 0.00 C ATOM 664 CG LEU A 43 -7.934 -13.072 -2.642 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.092 -14.319 -2.436 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.052 -11.845 -2.832 1.00 0.00 C ATOM 0 H LEU A 43 -6.223 -13.249 -4.659 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.833 -13.790 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.663 -12.499 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.369 -14.226 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.536 -12.913 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.424 -14.171 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.744 -15.170 -2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.503 -14.513 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.388 -11.738 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.458 -11.961 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.678 -10.957 -2.920 1.00 0.00 H new ATOM 678 N SER A 44 -7.156 -11.114 -5.951 1.00 0.00 N ATOM 679 CA SER A 44 -7.141 -9.738 -6.432 1.00 0.00 C ATOM 680 C SER A 44 -7.780 -9.671 -7.817 1.00 0.00 C ATOM 681 O SER A 44 -7.402 -10.412 -8.723 1.00 0.00 O ATOM 682 CB SER A 44 -5.711 -9.224 -6.487 1.00 0.00 C ATOM 683 OG SER A 44 -5.472 -8.255 -5.487 1.00 0.00 O ATOM 0 H SER A 44 -6.236 -11.532 -5.810 1.00 0.00 H new ATOM 0 HA SER A 44 -7.712 -9.111 -5.747 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.019 -10.056 -6.362 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.516 -8.792 -7.468 1.00 0.00 H new ATOM 0 HG SER A 44 -4.695 -7.712 -5.737 1.00 0.00 H new ATOM 689 N ILE A 45 -8.778 -8.804 -7.956 1.00 0.00 N ATOM 690 CA ILE A 45 -9.502 -8.672 -9.210 1.00 0.00 C ATOM 691 C ILE A 45 -9.182 -7.384 -9.963 1.00 0.00 C ATOM 692 O ILE A 45 -9.334 -7.321 -11.182 1.00 0.00 O ATOM 693 CB ILE A 45 -11.015 -8.727 -8.937 1.00 0.00 C ATOM 694 CG1 ILE A 45 -11.453 -7.524 -8.095 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.360 -10.015 -8.212 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.732 -6.882 -8.572 1.00 0.00 C ATOM 0 H ILE A 45 -9.102 -8.183 -7.214 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.183 -9.501 -9.841 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.543 -8.696 -9.890 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.581 -7.843 -7.061 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.658 -6.778 -8.102 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.433 -10.049 -8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.074 -10.867 -8.828 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.821 -10.055 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.978 -6.038 -7.927 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.603 -6.531 -9.596 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.540 -7.612 -8.538 1.00 0.00 H new ATOM 745 N ALA A 50 -0.862 -6.847 -10.053 1.00 0.00 N ATOM 746 CA ALA A 50 -1.289 -8.200 -9.714 1.00 0.00 C ATOM 747 C ALA A 50 -0.256 -9.233 -10.143 1.00 0.00 C ATOM 748 O ALA A 50 -0.162 -10.312 -9.556 1.00 0.00 O ATOM 749 CB ALA A 50 -2.610 -8.507 -10.386 1.00 0.00 C ATOM 0 HA ALA A 50 -1.400 -8.252 -8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.923 -9.519 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.364 -7.797 -10.047 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.496 -8.427 -11.467 1.00 0.00 H new ATOM 755 N LYS A 51 0.510 -8.904 -11.176 1.00 0.00 N ATOM 756 CA LYS A 51 1.528 -9.817 -11.687 1.00 0.00 C ATOM 757 C LYS A 51 2.853 -9.640 -10.968 1.00 0.00 C ATOM 758 O LYS A 51 3.700 -10.533 -10.957 1.00 0.00 O ATOM 759 CB LYS A 51 1.705 -9.623 -13.184 1.00 0.00 C ATOM 760 CG LYS A 51 1.754 -8.176 -13.655 1.00 0.00 C ATOM 761 CD LYS A 51 3.023 -7.478 -13.212 1.00 0.00 C ATOM 762 CE LYS A 51 2.725 -6.120 -12.608 1.00 0.00 C ATOM 763 NZ LYS A 51 3.498 -5.033 -13.270 1.00 0.00 N ATOM 0 H LYS A 51 0.447 -8.017 -11.675 1.00 0.00 H new ATOM 0 HA LYS A 51 1.186 -10.835 -11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.626 -10.118 -13.491 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.886 -10.127 -13.698 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.684 -8.146 -14.742 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.890 -7.638 -13.265 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.544 -8.096 -12.481 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.692 -7.360 -14.065 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.659 -5.911 -12.694 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.961 -6.137 -11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.031 -4.120 -13.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.463 -5.007 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.541 -5.211 -14.294 1.00 0.00 H new ATOM 777 N ARG A 52 3.010 -8.482 -10.372 1.00 0.00 N ATOM 778 CA ARG A 52 4.231 -8.153 -9.634 1.00 0.00 C ATOM 779 C ARG A 52 4.007 -8.247 -8.126 1.00 0.00 C ATOM 780 O ARG A 52 4.707 -7.606 -7.344 1.00 0.00 O ATOM 781 CB ARG A 52 4.756 -6.760 -10.007 1.00 0.00 C ATOM 782 CG ARG A 52 4.029 -5.608 -9.329 1.00 0.00 C ATOM 783 CD ARG A 52 4.695 -4.274 -9.631 1.00 0.00 C ATOM 784 NE ARG A 52 3.923 -3.478 -10.584 1.00 0.00 N ATOM 785 CZ ARG A 52 4.442 -2.503 -11.328 1.00 0.00 C ATOM 786 NH1 ARG A 52 5.730 -2.196 -11.231 1.00 0.00 N ATOM 787 NH2 ARG A 52 3.670 -1.834 -12.172 1.00 0.00 N ATOM 0 H ARG A 52 2.310 -7.740 -10.377 1.00 0.00 H new ATOM 0 HA ARG A 52 4.985 -8.887 -9.918 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.814 -6.705 -9.753 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.681 -6.635 -11.087 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.992 -5.583 -9.665 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.011 -5.771 -8.251 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.817 -3.712 -8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.694 -4.450 -10.031 1.00 0.00 H new ATOM 0 HE ARG A 52 2.929 -3.681 -10.685 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.329 -2.708 -10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.121 -1.448 -11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.680 -2.066 -12.251 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.066 -1.087 -12.743 1.00 0.00 H new ATOM 801 N ASP A 53 3.025 -9.056 -7.726 1.00 0.00 N ATOM 802 CA ASP A 53 2.703 -9.250 -6.312 1.00 0.00 C ATOM 803 C ASP A 53 1.911 -8.070 -5.745 1.00 0.00 C ATOM 804 O ASP A 53 1.656 -8.005 -4.542 1.00 0.00 O ATOM 805 CB ASP A 53 3.991 -9.508 -5.498 1.00 0.00 C ATOM 806 CG ASP A 53 4.533 -8.280 -4.778 1.00 0.00 C ATOM 807 OD1 ASP A 53 3.865 -7.789 -3.846 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.636 -7.821 -5.141 1.00 0.00 O ATOM 0 H ASP A 53 2.436 -9.590 -8.365 1.00 0.00 H new ATOM 0 HA ASP A 53 2.064 -10.129 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.792 -10.288 -4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.760 -9.891 -6.169 1.00 0.00 H new ATOM 813 N GLY A 54 1.517 -7.145 -6.613 1.00 0.00 N ATOM 814 CA GLY A 54 0.761 -5.993 -6.165 1.00 0.00 C ATOM 815 C GLY A 54 1.627 -5.010 -5.408 1.00 0.00 C ATOM 816 O GLY A 54 1.131 -4.238 -4.588 1.00 0.00 O ATOM 0 H GLY A 54 1.707 -7.173 -7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 54 0.314 -5.495 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.058 -6.322 -5.526 1.00 0.00 H new ATOM 820 N SER A 55 2.928 -5.043 -5.680 1.00 0.00 N ATOM 821 CA SER A 55 3.868 -4.153 -5.013 1.00 0.00 C ATOM 822 C SER A 55 3.629 -2.702 -5.407 1.00 0.00 C ATOM 823 O SER A 55 4.229 -2.198 -6.358 1.00 0.00 O ATOM 824 CB SER A 55 5.307 -4.552 -5.347 1.00 0.00 C ATOM 825 OG SER A 55 5.612 -4.275 -6.704 1.00 0.00 O ATOM 0 H SER A 55 3.353 -5.676 -6.357 1.00 0.00 H new ATOM 0 HA SER A 55 3.710 -4.246 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.997 -4.012 -4.699 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.448 -5.614 -5.149 1.00 0.00 H new ATOM 0 HG SER A 55 5.555 -3.309 -6.862 1.00 0.00 H new ATOM 831 N LEU A 56 2.754 -2.029 -4.666 1.00 0.00 N ATOM 832 CA LEU A 56 2.449 -0.630 -4.938 1.00 0.00 C ATOM 833 C LEU A 56 3.707 0.222 -4.814 1.00 0.00 C ATOM 834 O LEU A 56 3.825 1.267 -5.451 1.00 0.00 O ATOM 835 CB LEU A 56 1.370 -0.119 -3.975 1.00 0.00 C ATOM 836 CG LEU A 56 -0.042 -0.658 -4.227 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.065 0.142 -3.434 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.374 -0.630 -5.714 1.00 0.00 C ATOM 0 H LEU A 56 2.246 -2.428 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 56 2.072 -0.553 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.663 -0.377 -2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.341 0.969 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.078 -1.694 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.063 -0.253 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.841 0.066 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.025 1.188 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.381 -1.017 -5.869 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.319 0.395 -6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.340 -1.248 -6.258 1.00 0.00 H new ATOM 850 N GLY A 57 4.644 -0.235 -3.991 1.00 0.00 N ATOM 851 CA GLY A 57 5.882 0.496 -3.801 1.00 0.00 C ATOM 852 C GLY A 57 5.663 1.824 -3.109 1.00 0.00 C ATOM 853 O GLY A 57 4.558 2.116 -2.652 1.00 0.00 O ATOM 0 H GLY A 57 4.568 -1.098 -3.453 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.572 -0.109 -3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.353 0.666 -4.769 1.00 0.00 H new ATOM 857 N TYR A 58 6.716 2.630 -3.019 1.00 0.00 N ATOM 858 CA TYR A 58 6.614 3.931 -2.360 1.00 0.00 C ATOM 859 C TYR A 58 5.570 4.814 -3.028 1.00 0.00 C ATOM 860 O TYR A 58 5.702 5.181 -4.195 1.00 0.00 O ATOM 861 CB TYR A 58 7.953 4.688 -2.338 1.00 0.00 C ATOM 862 CG TYR A 58 9.180 3.842 -2.608 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.584 3.566 -3.909 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.938 3.325 -1.564 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.705 2.799 -4.161 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.061 2.558 -1.809 1.00 0.00 C ATOM 867 CZ TYR A 58 11.440 2.296 -3.108 1.00 0.00 C ATOM 868 OH TYR A 58 12.557 1.533 -3.356 1.00 0.00 O ATOM 0 H TYR A 58 7.641 2.411 -3.389 1.00 0.00 H new ATOM 0 HA TYR A 58 6.316 3.717 -1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 58 7.912 5.486 -3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.067 5.163 -1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.012 3.958 -4.737 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.644 3.526 -0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.005 2.594 -5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.639 2.165 -0.986 1.00 0.00 H new ATOM 0 HH TYR A 58 12.961 1.258 -2.506 1.00 0.00 H new ATOM 878 N PHE A 59 4.562 5.188 -2.257 1.00 0.00 N ATOM 879 CA PHE A 59 3.517 6.075 -2.737 1.00 0.00 C ATOM 880 C PHE A 59 3.357 7.219 -1.759 1.00 0.00 C ATOM 881 O PHE A 59 3.821 7.139 -0.622 1.00 0.00 O ATOM 882 CB PHE A 59 2.189 5.344 -2.908 1.00 0.00 C ATOM 883 CG PHE A 59 1.948 4.855 -4.308 1.00 0.00 C ATOM 884 CD1 PHE A 59 2.886 4.063 -4.951 1.00 0.00 C ATOM 885 CD2 PHE A 59 0.788 5.196 -4.982 1.00 0.00 C ATOM 886 CE1 PHE A 59 2.667 3.619 -6.243 1.00 0.00 C ATOM 887 CE2 PHE A 59 0.563 4.754 -6.272 1.00 0.00 C ATOM 888 CZ PHE A 59 1.503 3.963 -6.903 1.00 0.00 C ATOM 0 H PHE A 59 4.446 4.888 -1.289 1.00 0.00 H new ATOM 0 HA PHE A 59 3.808 6.454 -3.717 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.161 4.495 -2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.377 6.011 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.797 3.790 -4.439 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.050 5.815 -4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.406 3.004 -6.735 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -0.347 5.027 -6.786 1.00 0.00 H new ATOM 0 HZ PHE A 59 1.329 3.614 -7.910 1.00 0.00 H new ATOM 898 N GLY A 60 2.714 8.280 -2.196 1.00 0.00 N ATOM 899 CA GLY A 60 2.528 9.425 -1.329 1.00 0.00 C ATOM 900 C GLY A 60 1.146 10.037 -1.452 1.00 0.00 C ATOM 901 O GLY A 60 0.281 9.497 -2.142 1.00 0.00 O ATOM 0 H GLY A 60 2.317 8.375 -3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.696 9.123 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.277 10.180 -1.566 1.00 0.00 H new ATOM 905 N ARG A 61 0.938 11.165 -0.784 1.00 0.00 N ATOM 906 CA ARG A 61 -0.339 11.851 -0.818 1.00 0.00 C ATOM 907 C ARG A 61 -0.517 12.544 -2.154 1.00 0.00 C ATOM 908 O ARG A 61 -0.173 13.715 -2.314 1.00 0.00 O ATOM 909 CB ARG A 61 -0.436 12.868 0.321 1.00 0.00 C ATOM 910 CG ARG A 61 0.668 13.914 0.302 1.00 0.00 C ATOM 911 CD ARG A 61 1.131 14.265 1.707 1.00 0.00 C ATOM 912 NE ARG A 61 1.175 15.708 1.925 1.00 0.00 N ATOM 913 CZ ARG A 61 1.190 16.277 3.128 1.00 0.00 C ATOM 914 NH1 ARG A 61 1.167 15.529 4.225 1.00 0.00 N ATOM 915 NH2 ARG A 61 1.231 17.598 3.236 1.00 0.00 N ATOM 0 H ARG A 61 1.645 11.623 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.133 11.115 -0.689 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.402 13.371 0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.406 12.338 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.513 13.542 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.309 14.813 -0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.459 13.809 2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.121 13.842 1.878 1.00 0.00 H new ATOM 0 HE ARG A 61 1.195 16.316 1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.138 14.512 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.179 15.971 5.144 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.251 18.178 2.397 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.242 18.034 4.158 1.00 0.00 H new ATOM 929 N GLY A 62 -1.052 11.808 -3.114 1.00 0.00 N ATOM 930 CA GLY A 62 -1.262 12.364 -4.426 1.00 0.00 C ATOM 931 C GLY A 62 -1.117 11.335 -5.535 1.00 0.00 C ATOM 932 O GLY A 62 -0.607 11.644 -6.612 1.00 0.00 O ATOM 0 H GLY A 62 -1.343 10.837 -3.005 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.258 12.804 -4.473 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.549 13.172 -4.591 1.00 0.00 H new ATOM 936 N LYS A 63 -1.565 10.109 -5.271 1.00 0.00 N ATOM 937 CA LYS A 63 -1.479 9.038 -6.257 1.00 0.00 C ATOM 938 C LYS A 63 -2.656 8.074 -6.125 1.00 0.00 C ATOM 939 O LYS A 63 -3.285 7.711 -7.118 1.00 0.00 O ATOM 940 CB LYS A 63 -0.159 8.277 -6.100 1.00 0.00 C ATOM 941 CG LYS A 63 0.880 8.640 -7.149 1.00 0.00 C ATOM 942 CD LYS A 63 2.271 8.755 -6.543 1.00 0.00 C ATOM 943 CE LYS A 63 3.317 8.083 -7.418 1.00 0.00 C ATOM 944 NZ LYS A 63 4.630 8.784 -7.352 1.00 0.00 N ATOM 0 H LYS A 63 -1.990 9.835 -4.385 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.516 9.489 -7.249 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.251 8.477 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.358 7.207 -6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.886 7.883 -7.933 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.608 9.585 -7.620 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.526 9.807 -6.412 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.276 8.300 -5.553 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.442 7.047 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.968 8.062 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.316 8.295 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.516 9.766 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.976 8.782 -6.371 1.00 0.00 H new ATOM 958 N MET A 64 -2.945 7.661 -4.895 1.00 0.00 N ATOM 959 CA MET A 64 -4.044 6.735 -4.639 1.00 0.00 C ATOM 960 C MET A 64 -5.295 7.480 -4.183 1.00 0.00 C ATOM 961 O MET A 64 -5.241 8.668 -3.864 1.00 0.00 O ATOM 962 CB MET A 64 -3.643 5.708 -3.578 1.00 0.00 C ATOM 963 CG MET A 64 -2.224 5.186 -3.738 1.00 0.00 C ATOM 964 SD MET A 64 -1.949 3.640 -2.855 1.00 0.00 S ATOM 965 CE MET A 64 -1.391 4.252 -1.267 1.00 0.00 C ATOM 0 H MET A 64 -2.435 7.952 -4.061 1.00 0.00 H new ATOM 0 HA MET A 64 -4.267 6.219 -5.573 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.745 6.159 -2.591 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.336 4.868 -3.618 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.013 5.037 -4.797 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.522 5.937 -3.375 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.501 3.469 -0.516 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.343 4.543 -1.337 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.989 5.117 -0.980 1.00 0.00 H new ATOM 975 N VAL A 65 -6.419 6.771 -4.151 1.00 0.00 N ATOM 976 CA VAL A 65 -7.683 7.360 -3.728 1.00 0.00 C ATOM 977 C VAL A 65 -7.596 7.851 -2.284 1.00 0.00 C ATOM 978 O VAL A 65 -6.702 7.450 -1.537 1.00 0.00 O ATOM 979 CB VAL A 65 -8.842 6.352 -3.864 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.032 5.949 -5.319 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.588 5.131 -2.997 1.00 0.00 C ATOM 0 H VAL A 65 -6.479 5.787 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.882 8.209 -4.382 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.759 6.831 -3.521 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.854 5.237 -5.395 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.261 6.833 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.117 5.488 -5.691 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.415 4.430 -3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.661 4.649 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.505 5.436 -1.954 1.00 0.00 H new ATOM 991 N LYS A 66 -8.515 8.729 -1.902 1.00 0.00 N ATOM 992 CA LYS A 66 -8.531 9.291 -0.552 1.00 0.00 C ATOM 993 C LYS A 66 -8.717 8.220 0.528 1.00 0.00 C ATOM 994 O LYS A 66 -7.985 8.205 1.517 1.00 0.00 O ATOM 995 CB LYS A 66 -9.635 10.345 -0.436 1.00 0.00 C ATOM 996 CG LYS A 66 -9.109 11.769 -0.341 1.00 0.00 C ATOM 997 CD LYS A 66 -10.232 12.763 -0.101 1.00 0.00 C ATOM 998 CE LYS A 66 -10.545 12.903 1.380 1.00 0.00 C ATOM 999 NZ LYS A 66 -10.896 14.303 1.746 1.00 0.00 N ATOM 0 H LYS A 66 -9.262 9.070 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.558 9.753 -0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.293 10.267 -1.301 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.240 10.130 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.383 11.836 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.585 12.026 -1.261 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.953 13.735 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.126 12.439 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.372 12.242 1.640 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.683 12.581 1.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -11.102 14.354 2.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -10.098 14.931 1.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.734 14.603 1.208 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.698 7.312 0.367 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.949 6.262 1.357 1.00 0.00 C ATOM 1015 C PRO A 67 -8.775 5.304 1.474 1.00 0.00 C ATOM 1016 O PRO A 67 -8.395 4.894 2.570 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.183 5.524 0.829 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.334 5.930 -0.598 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.627 7.245 -0.770 1.00 0.00 C ATOM 0 HA PRO A 67 -10.095 6.679 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.057 4.445 0.915 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.070 5.788 1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.907 5.176 -1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.388 6.024 -0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.095 7.289 -1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.330 8.078 -0.759 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.207 4.955 0.331 1.00 0.00 N ATOM 1028 CA PHE A 68 -7.068 4.042 0.289 1.00 0.00 C ATOM 1029 C PHE A 68 -5.801 4.741 0.771 1.00 0.00 C ATOM 1030 O PHE A 68 -5.109 4.247 1.661 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.860 3.509 -1.130 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.967 2.303 -1.201 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.595 2.448 -1.325 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.500 1.024 -1.150 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.770 1.341 -1.396 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.680 -0.087 -1.220 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.313 0.072 -1.344 1.00 0.00 C ATOM 0 H PHE A 68 -8.514 5.289 -0.583 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.281 3.204 0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.830 3.257 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.435 4.301 -1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.165 3.438 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.568 0.894 -1.055 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.702 1.468 -1.492 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.107 -1.078 -1.178 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.670 -0.794 -1.400 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.507 5.896 0.180 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.324 6.663 0.552 1.00 0.00 C ATOM 1049 C GLU A 69 -4.348 7.007 2.038 1.00 0.00 C ATOM 1050 O GLU A 69 -3.304 7.091 2.685 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.240 7.944 -0.278 1.00 0.00 C ATOM 1052 CG GLU A 69 -2.857 8.573 -0.290 1.00 0.00 C ATOM 1053 CD GLU A 69 -2.767 9.796 0.603 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.778 10.516 0.728 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -1.682 10.033 1.175 1.00 0.00 O ATOM 0 H GLU A 69 -6.071 6.320 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.445 6.051 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.538 7.723 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.955 8.668 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.123 7.835 0.035 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.598 8.853 -1.311 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.548 7.202 2.571 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.714 7.535 3.980 1.00 0.00 C ATOM 1064 C ASP A 70 -5.197 6.408 4.869 1.00 0.00 C ATOM 1065 O ASP A 70 -4.404 6.637 5.782 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.187 7.811 4.291 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.566 9.259 4.054 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.756 10.149 4.391 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.673 9.505 3.531 1.00 0.00 O ATOM 0 H ASP A 70 -6.421 7.135 2.048 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.132 8.433 4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.813 7.168 3.672 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.391 7.550 5.329 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.654 5.192 4.594 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.243 4.024 5.367 1.00 0.00 C ATOM 1076 C ALA A 71 -3.821 3.586 5.015 1.00 0.00 C ATOM 1077 O ALA A 71 -3.247 2.725 5.680 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.217 2.878 5.145 1.00 0.00 C ATOM 0 H ALA A 71 -6.310 4.988 3.840 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.252 4.303 6.421 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.899 2.013 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.215 3.182 5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.236 2.617 4.087 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.260 4.175 3.961 1.00 0.00 N ATOM 1085 CA ALA A 72 -1.911 3.832 3.526 1.00 0.00 C ATOM 1086 C ALA A 72 -0.865 4.261 4.550 1.00 0.00 C ATOM 1087 O ALA A 72 0.008 3.479 4.927 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.619 4.468 2.174 1.00 0.00 C ATOM 0 H ALA A 72 -3.718 4.889 3.395 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.856 2.748 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.609 4.205 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.335 4.103 1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.703 5.552 2.256 1.00 0.00 H new ATOM 1094 N PHE A 73 -0.957 5.511 4.990 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.016 6.052 5.965 1.00 0.00 C ATOM 1096 C PHE A 73 -0.541 5.897 7.391 1.00 0.00 C ATOM 1097 O PHE A 73 -0.052 6.552 8.312 1.00 0.00 O ATOM 1098 CB PHE A 73 0.246 7.530 5.674 1.00 0.00 C ATOM 1099 CG PHE A 73 -1.013 8.326 5.493 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.826 8.612 6.578 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.387 8.779 4.239 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -2.990 9.338 6.414 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.551 9.503 4.070 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.353 9.783 5.158 1.00 0.00 C ATOM 0 H PHE A 73 -1.674 6.170 4.687 1.00 0.00 H new ATOM 0 HA PHE A 73 0.914 5.490 5.880 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.825 7.958 6.492 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.855 7.615 4.774 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.547 8.264 7.562 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.762 8.564 3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.615 9.557 7.267 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.834 9.850 3.087 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.263 10.349 5.027 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.537 5.033 7.573 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.113 4.810 8.893 1.00 0.00 C ATOM 1116 C ARG A 74 -1.594 3.513 9.497 1.00 0.00 C ATOM 1117 O ARG A 74 -1.522 3.370 10.719 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.643 4.776 8.805 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.325 5.825 9.666 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.706 6.170 9.135 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.004 7.594 9.270 1.00 0.00 N ATOM 1122 CZ ARG A 74 -7.218 8.117 9.108 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -8.249 7.338 8.806 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -7.402 9.422 9.249 1.00 0.00 N ATOM 0 H ARG A 74 -1.959 4.480 6.827 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.814 5.634 9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.942 4.920 7.767 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.994 3.788 9.104 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.409 5.459 10.689 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.711 6.725 9.699 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.773 5.883 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.456 5.590 9.672 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.237 8.225 9.502 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.114 6.333 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.176 7.744 8.683 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.614 10.026 9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.332 9.822 9.125 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.238 2.566 8.637 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.732 1.279 9.089 1.00 0.00 C ATOM 1140 C LEU A 75 0.779 1.187 8.929 1.00 0.00 C ATOM 1141 O LEU A 75 1.294 0.253 8.313 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.407 0.143 8.320 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.823 -0.222 8.769 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.071 -1.690 8.510 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.047 0.095 10.241 1.00 0.00 C ATOM 0 H LEU A 75 -1.291 2.667 7.623 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.967 1.185 10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.440 0.415 7.265 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.781 -0.746 8.401 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.527 0.379 8.194 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.080 -1.951 8.830 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.964 -1.895 7.445 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.348 -2.285 9.068 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.064 -0.178 10.521 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.339 -0.471 10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.898 1.161 10.410 1.00 0.00 H new ATOM 1157 N GLN A 76 1.485 2.147 9.503 1.00 0.00 N ATOM 1158 CA GLN A 76 2.939 2.158 9.441 1.00 0.00 C ATOM 1159 C GLN A 76 3.498 0.918 10.132 1.00 0.00 C ATOM 1160 O GLN A 76 4.633 0.512 9.885 1.00 0.00 O ATOM 1161 CB GLN A 76 3.491 3.427 10.089 1.00 0.00 C ATOM 1162 CG GLN A 76 3.530 4.616 9.143 1.00 0.00 C ATOM 1163 CD GLN A 76 4.664 5.573 9.454 1.00 0.00 C ATOM 1164 OE1 GLN A 76 4.437 6.739 9.779 1.00 0.00 O ATOM 1165 NE2 GLN A 76 5.895 5.084 9.356 1.00 0.00 N ATOM 0 H GLN A 76 1.077 2.928 10.017 1.00 0.00 H new ATOM 0 HA GLN A 76 3.248 2.146 8.396 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.879 3.680 10.955 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.498 3.231 10.457 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.633 4.257 8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.582 5.151 9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.037 4.111 9.083 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.698 5.681 9.553 1.00 0.00 H new ATOM 1174 N VAL A 77 2.677 0.313 10.987 1.00 0.00 N ATOM 1175 CA VAL A 77 3.063 -0.893 11.707 1.00 0.00 C ATOM 1176 C VAL A 77 3.369 -2.019 10.724 1.00 0.00 C ATOM 1177 O VAL A 77 4.147 -2.924 11.022 1.00 0.00 O ATOM 1178 CB VAL A 77 1.944 -1.350 12.673 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.588 -1.301 11.983 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.218 -2.751 13.214 1.00 0.00 C ATOM 0 H VAL A 77 1.735 0.643 11.197 1.00 0.00 H new ATOM 0 HA VAL A 77 3.955 -0.660 12.289 1.00 0.00 H new ATOM 0 HB VAL A 77 1.930 -0.661 13.517 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.186 -1.626 12.678 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.381 -0.281 11.660 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.597 -1.961 11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.414 -3.044 13.890 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.271 -3.457 12.385 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.165 -2.754 13.754 1.00 0.00 H new ATOM 1190 N GLY A 78 2.746 -1.954 9.552 1.00 0.00 N ATOM 1191 CA GLY A 78 2.960 -2.972 8.547 1.00 0.00 C ATOM 1192 C GLY A 78 1.904 -4.043 8.601 1.00 0.00 C ATOM 1193 O GLY A 78 2.212 -5.227 8.745 1.00 0.00 O ATOM 0 H GLY A 78 2.098 -1.214 9.283 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.961 -2.512 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.942 -3.423 8.690 1.00 0.00 H new ATOM 1197 N GLU A 79 0.655 -3.628 8.511 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.451 -4.564 8.577 1.00 0.00 C ATOM 1199 C GLU A 79 -1.531 -4.205 7.574 1.00 0.00 C ATOM 1200 O GLU A 79 -1.444 -3.181 6.894 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.024 -4.546 9.985 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.720 -5.832 10.390 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.227 -5.682 10.468 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.696 -4.729 11.125 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -3.937 -6.518 9.871 1.00 0.00 O ATOM 0 H GLU A 79 0.381 -2.653 8.392 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.087 -5.562 8.332 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.218 -4.345 10.691 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.732 -3.722 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.474 -6.615 9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.341 -6.156 11.359 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.557 -5.041 7.492 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.649 -4.781 6.576 1.00 0.00 C ATOM 1214 C VAL A 80 -4.654 -3.829 7.210 1.00 0.00 C ATOM 1215 O VAL A 80 -4.820 -3.817 8.428 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.367 -6.072 6.137 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.443 -5.758 5.108 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.373 -7.080 5.580 1.00 0.00 C ATOM 0 H VAL A 80 -2.652 -5.894 8.043 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.215 -4.324 5.686 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.843 -6.513 7.013 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.940 -6.681 4.809 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.174 -5.076 5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.986 -5.292 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.902 -7.983 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.864 -6.650 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.640 -7.329 6.347 1.00 0.00 H new ATOM 1228 N SER A 81 -5.309 -3.019 6.384 1.00 0.00 N ATOM 1229 CA SER A 81 -6.275 -2.050 6.887 1.00 0.00 C ATOM 1230 C SER A 81 -7.709 -2.495 6.617 1.00 0.00 C ATOM 1231 O SER A 81 -7.958 -3.396 5.817 1.00 0.00 O ATOM 1232 CB SER A 81 -6.029 -0.683 6.249 1.00 0.00 C ATOM 1233 OG SER A 81 -4.666 -0.307 6.358 1.00 0.00 O ATOM 0 H SER A 81 -5.190 -3.014 5.371 1.00 0.00 H new ATOM 0 HA SER A 81 -6.141 -1.979 7.966 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.319 -0.711 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.656 0.066 6.733 1.00 0.00 H new ATOM 0 HG SER A 81 -4.462 0.382 5.691 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.642 -1.860 7.319 1.00 0.00 N ATOM 1240 CA GLU A 82 -10.060 -2.178 7.200 1.00 0.00 C ATOM 1241 C GLU A 82 -10.533 -2.192 5.748 1.00 0.00 C ATOM 1242 O GLU A 82 -9.957 -1.537 4.874 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.889 -1.174 8.003 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.672 -1.269 9.505 1.00 0.00 C ATOM 1245 CD GLU A 82 -10.449 0.086 10.149 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -9.596 0.849 9.648 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -11.126 0.384 11.155 1.00 0.00 O ATOM 0 H GLU A 82 -8.438 -1.114 7.984 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.200 -3.182 7.600 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.643 -0.165 7.672 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.945 -1.332 7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.537 -1.747 9.964 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.812 -1.908 9.704 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.609 -2.942 5.475 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.180 -3.043 4.134 1.00 0.00 C ATOM 1256 C PRO A 83 -12.506 -1.676 3.547 1.00 0.00 C ATOM 1257 O PRO A 83 -13.492 -1.045 3.928 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.469 -3.854 4.340 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.714 -3.844 5.811 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.361 -3.744 6.450 1.00 0.00 C ATOM 0 HA PRO A 83 -11.484 -3.504 3.433 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.304 -3.408 3.800 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.356 -4.872 3.968 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.345 -3.002 6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.230 -4.750 6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.407 -3.259 7.425 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.911 -4.725 6.603 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.677 -1.225 2.616 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.881 0.069 1.976 1.00 0.00 C ATOM 1270 C VAL A 84 -12.501 -0.102 0.594 1.00 0.00 C ATOM 1271 O VAL A 84 -11.825 -0.498 -0.355 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.561 0.845 1.820 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.806 2.182 1.141 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.884 1.043 3.163 1.00 0.00 C ATOM 0 H VAL A 84 -10.857 -1.735 2.287 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.553 0.633 2.623 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.894 0.255 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.862 2.717 1.039 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.237 2.015 0.154 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.495 2.775 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.954 1.594 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.544 1.606 3.824 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.667 0.072 3.608 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.788 0.206 0.488 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.497 0.091 -0.779 1.00 0.00 C ATOM 1286 C LYS A 85 -14.503 1.425 -1.518 1.00 0.00 C ATOM 1287 O LYS A 85 -15.126 2.389 -1.075 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.933 -0.385 -0.536 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.824 -0.322 -1.769 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.174 -0.991 -2.971 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.193 -1.295 -4.056 1.00 0.00 C ATOM 1292 NZ LYS A 85 -17.600 -2.727 -4.051 1.00 0.00 N ATOM 0 H LYS A 85 -14.361 0.537 1.264 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.980 -0.641 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.908 -1.412 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.378 0.223 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.776 -0.807 -1.554 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.043 0.719 -2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.395 -0.343 -3.373 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -15.689 -1.915 -2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.073 -0.667 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -16.774 -1.040 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.296 -2.893 -4.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -16.765 -3.326 -4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -18.024 -2.964 -3.131 1.00 0.00 H new ATOM 1306 N SER A 86 -13.809 1.470 -2.649 1.00 0.00 N ATOM 1307 CA SER A 86 -13.739 2.683 -3.453 1.00 0.00 C ATOM 1308 C SER A 86 -14.557 2.527 -4.728 1.00 0.00 C ATOM 1309 O SER A 86 -15.228 1.514 -4.927 1.00 0.00 O ATOM 1310 CB SER A 86 -12.285 3.009 -3.799 1.00 0.00 C ATOM 1311 OG SER A 86 -11.746 3.959 -2.897 1.00 0.00 O ATOM 0 H SER A 86 -13.287 0.681 -3.030 1.00 0.00 H new ATOM 0 HA SER A 86 -14.155 3.505 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.688 2.097 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.228 3.396 -4.816 1.00 0.00 H new ATOM 0 HG SER A 86 -11.612 4.812 -3.361 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.497 3.533 -5.593 1.00 0.00 N ATOM 1318 CA GLU A 87 -15.233 3.502 -6.852 1.00 0.00 C ATOM 1319 C GLU A 87 -14.816 2.301 -7.699 1.00 0.00 C ATOM 1320 O GLU A 87 -15.545 1.883 -8.599 1.00 0.00 O ATOM 1321 CB GLU A 87 -15.000 4.795 -7.633 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.532 5.092 -7.896 1.00 0.00 C ATOM 1323 CD GLU A 87 -13.224 6.576 -7.874 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -12.952 7.111 -6.779 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -13.253 7.204 -8.954 1.00 0.00 O ATOM 0 H GLU A 87 -13.947 4.379 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.294 3.410 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.526 4.734 -8.586 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.437 5.627 -7.081 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.923 4.587 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -13.250 4.681 -8.865 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.638 1.751 -7.409 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.128 0.603 -8.148 1.00 0.00 C ATOM 1334 C PHE A 88 -13.601 -0.711 -7.528 1.00 0.00 C ATOM 1335 O PHE A 88 -13.955 -1.649 -8.240 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.598 0.644 -8.187 1.00 0.00 C ATOM 1337 CG PHE A 88 -11.045 1.217 -9.461 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.377 0.663 -10.687 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.192 2.309 -9.431 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.869 1.189 -11.860 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.682 2.839 -10.600 1.00 0.00 C ATOM 1342 CZ PHE A 88 -10.021 2.279 -11.816 1.00 0.00 C ATOM 0 H PHE A 88 -13.021 2.083 -6.668 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.517 0.655 -9.165 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.237 1.235 -7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.212 -0.367 -8.055 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -12.040 -0.189 -10.726 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -9.923 2.750 -8.483 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.135 0.749 -12.810 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.019 3.691 -10.563 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.624 2.692 -12.731 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.601 -0.774 -6.198 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.030 -1.983 -5.516 1.00 0.00 C ATOM 1354 C GLY A 89 -13.573 -2.039 -4.077 1.00 0.00 C ATOM 1355 O GLY A 89 -13.161 -1.028 -3.505 1.00 0.00 O ATOM 0 H GLY A 89 -13.313 -0.013 -5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.118 -2.047 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.643 -2.852 -6.049 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.641 -3.228 -3.495 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.232 -3.434 -2.122 1.00 0.00 C ATOM 1361 C TYR A 90 -11.714 -3.587 -2.056 1.00 0.00 C ATOM 1362 O TYR A 90 -11.171 -4.654 -2.340 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.943 -4.671 -1.575 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.956 -4.362 -0.496 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.187 -3.802 -0.815 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.686 -4.630 0.841 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.119 -3.515 0.165 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.614 -4.349 1.826 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.827 -3.793 1.483 1.00 0.00 C ATOM 1370 OH TYR A 90 -17.753 -3.512 2.461 1.00 0.00 O ATOM 0 H TYR A 90 -13.980 -4.069 -3.962 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.507 -2.575 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.444 -5.184 -2.396 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.199 -5.360 -1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.420 -3.587 -1.847 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.736 -5.065 1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.069 -3.076 -0.100 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.389 -4.564 2.860 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.393 -3.769 3.336 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.039 -2.492 -1.717 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.583 -2.468 -1.655 1.00 0.00 C ATOM 1382 C HIS A 91 -9.036 -3.047 -0.353 1.00 0.00 C ATOM 1383 O HIS A 91 -9.773 -3.293 0.601 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.083 -1.033 -1.828 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.343 -0.469 -3.190 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.612 -0.262 -3.690 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.488 -0.066 -4.161 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.527 0.242 -4.908 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.249 0.371 -5.216 1.00 0.00 N ATOM 0 H HIS A 91 -11.482 -1.604 -1.480 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.218 -3.099 -2.466 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.562 -0.398 -1.083 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.012 -1.004 -1.630 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.481 -0.466 -3.196 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.409 -0.085 -4.113 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.360 0.504 -5.543 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.720 -3.247 -0.341 1.00 0.00 N ATOM 1399 CA VAL A 92 -7.012 -3.782 0.815 1.00 0.00 C ATOM 1400 C VAL A 92 -5.558 -3.324 0.785 1.00 0.00 C ATOM 1401 O VAL A 92 -4.854 -3.540 -0.203 1.00 0.00 O ATOM 1402 CB VAL A 92 -7.062 -5.322 0.843 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.435 -5.855 2.122 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.493 -5.813 0.698 1.00 0.00 C ATOM 0 H VAL A 92 -7.115 -3.041 -1.136 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.504 -3.407 1.713 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.485 -5.700 -0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.480 -6.944 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.395 -5.535 2.178 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.980 -5.469 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.508 -6.903 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.096 -5.425 1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.903 -5.464 -0.250 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.115 -2.669 1.855 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.747 -2.160 1.921 1.00 0.00 C ATOM 1416 C ILE A 93 -2.861 -2.995 2.837 1.00 0.00 C ATOM 1417 O ILE A 93 -3.143 -3.140 4.023 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.702 -0.695 2.411 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.063 -0.013 2.211 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.595 0.064 1.687 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.014 1.499 2.288 1.00 0.00 C ATOM 0 H ILE A 93 -5.679 -2.479 2.683 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.367 -2.220 0.901 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.482 -0.688 3.479 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.464 -0.304 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.757 -0.382 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.571 1.095 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.635 -0.411 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.787 0.051 0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.015 1.904 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.645 1.802 3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.347 1.881 1.515 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.771 -3.507 2.279 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.810 -4.297 3.041 1.00 0.00 C ATOM 1435 C LYS A 94 0.593 -3.737 2.827 1.00 0.00 C ATOM 1436 O LYS A 94 1.105 -3.732 1.709 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.869 -5.770 2.631 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.369 -6.725 3.703 1.00 0.00 C ATOM 1439 CD LYS A 94 1.038 -6.370 4.160 1.00 0.00 C ATOM 1440 CE LYS A 94 1.599 -7.421 5.105 1.00 0.00 C ATOM 1441 NZ LYS A 94 3.020 -7.742 4.799 1.00 0.00 N ATOM 0 H LYS A 94 -1.529 -3.389 1.295 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.063 -4.235 4.099 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.898 -6.027 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.276 -5.910 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.046 -6.701 4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.380 -7.744 3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.690 -6.274 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.026 -5.401 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.521 -7.064 6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.999 -8.328 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.513 -8.006 5.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.060 -8.535 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.481 -6.910 4.380 1.00 0.00 H new ATOM 1455 N ARG A 95 1.198 -3.241 3.901 1.00 0.00 N ATOM 1456 CA ARG A 95 2.529 -2.649 3.823 1.00 0.00 C ATOM 1457 C ARG A 95 3.565 -3.626 3.291 1.00 0.00 C ATOM 1458 O ARG A 95 3.615 -4.790 3.688 1.00 0.00 O ATOM 1459 CB ARG A 95 2.961 -2.132 5.195 1.00 0.00 C ATOM 1460 CG ARG A 95 3.697 -0.803 5.139 1.00 0.00 C ATOM 1461 CD ARG A 95 2.757 0.368 5.377 1.00 0.00 C ATOM 1462 NE ARG A 95 1.606 0.341 4.475 1.00 0.00 N ATOM 1463 CZ ARG A 95 0.413 -0.157 4.799 1.00 0.00 C ATOM 1464 NH1 ARG A 95 0.201 -0.680 6.003 1.00 0.00 N ATOM 1465 NH2 ARG A 95 -0.575 -0.132 3.916 1.00 0.00 N ATOM 0 H ARG A 95 0.788 -3.237 4.835 1.00 0.00 H new ATOM 0 HA ARG A 95 2.468 -1.818 3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.080 -2.024 5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.604 -2.874 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.489 -0.793 5.888 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.177 -0.693 4.167 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.408 0.349 6.410 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.301 1.303 5.242 1.00 0.00 H new ATOM 0 HE ARG A 95 1.724 0.728 3.539 1.00 0.00 H new ATOM 0 HH11 ARG A 95 0.955 -0.703 6.689 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -0.716 -1.058 6.240 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.422 0.268 2.990 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.489 -0.513 4.162 1.00 0.00 H new ATOM 1479 N LEU A 96 4.398 -3.121 2.391 1.00 0.00 N ATOM 1480 CA LEU A 96 5.453 -3.889 1.783 1.00 0.00 C ATOM 1481 C LEU A 96 6.504 -2.953 1.193 1.00 0.00 C ATOM 1482 O LEU A 96 6.226 -2.177 0.279 1.00 0.00 O ATOM 1483 CB LEU A 96 4.873 -4.807 0.706 1.00 0.00 C ATOM 1484 CG LEU A 96 5.008 -4.317 -0.741 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.416 -4.573 -1.264 1.00 0.00 C ATOM 1486 CD2 LEU A 96 3.972 -4.989 -1.630 1.00 0.00 C ATOM 0 H LEU A 96 4.352 -2.155 2.065 1.00 0.00 H new ATOM 0 HA LEU A 96 5.933 -4.509 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.359 -5.779 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.815 -4.961 0.919 1.00 0.00 H new ATOM 0 HG LEU A 96 4.828 -3.242 -0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.492 -4.219 -2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.137 -4.042 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.627 -5.642 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.082 -4.630 -2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.118 -6.069 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.972 -4.751 -1.268 1.00 0.00 H new ATOM 1498 N GLY A 97 7.707 -3.028 1.723 1.00 0.00 N ATOM 1499 CA GLY A 97 8.783 -2.189 1.240 1.00 0.00 C ATOM 1500 C GLY A 97 10.153 -2.751 1.562 1.00 0.00 C ATOM 1501 O GLY A 97 11.127 -2.372 0.880 1.00 0.00 O ATOM 1502 OXT GLY A 97 10.251 -3.571 2.499 1.00 0.00 O ATOM 0 H GLY A 97 7.963 -3.657 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.688 -2.069 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.690 -1.196 1.680 1.00 0.00 H new