USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 863 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 82 ASN : amide:sc= -4.11! C(o=-5.3!,f=-5.5!) USER MOD Set 1.2: A 99 SER OG : rot -6:sc= -0.334! USER MOD Set 1.3: A 106 THR OG1 : rot 176:sc= -0.835! USER MOD Set 2.1: A 92 THR OG1 : rot 145:sc= 1.21 USER MOD Set 2.2: A 94 GLN : amide:sc= -1.06! C(o=0.15!,f=-7.2!) USER MOD Set 3.1: A 23 SER OG : rot 110:sc= -1.02! USER MOD Set 3.2: A 45 LYS NZ :NH3+ 137:sc= 0.00226 (180deg=0) USER MOD Set 4.1: A 26 TYR OH : rot 60:sc= -0.0345! USER MOD Set 4.2: A 41 ASN : amide:sc= -6.05! C(o=-6.1!,f=-12!) USER MOD Single : A 20 CYS SG : rot 21:sc= -15.1! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 100:sc= -3.09! USER MOD Single : A 46 SER OG : rot 142:sc= -2.41! USER MOD Single : A 49 THR OG1 : rot -6:sc= 0.0597! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -3.29! C(o=-3.3!,f=-6.1!) USER MOD Single : A 83 LYS NZ :NH3+ -147:sc= -0.226 (180deg=-1.18) USER MOD Single : A 84 THR OG1 : rot -86:sc= -2.44! USER MOD Single : A 85 MET CE :methyl 162:sc= -8.16! (180deg=-9.89!) USER MOD Single : A 89 SER OG : rot -84:sc= -0.0953! USER MOD Single : A 91 LYS NZ :NH3+ -146:sc= -0.161 (180deg=-1.02) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -5.22! C(o=-5.2!,f=-7.7!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0.0263 USER MOD Single : A 98 SER OG : rot -51:sc= 0.00128 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 25:sc= 1.07 USER MOD Single : A 112 TYR OH : rot 178:sc= -2! USER MOD Single : A 116 LYS NZ :NH3+ -174:sc= 0.183 (180deg=0.168) USER MOD ----------------------------------------------------------------- ATOM 159 N PRO A 12 -7.917 -6.829 0.235 1.00 0.00 N ATOM 160 CA PRO A 12 -6.505 -7.163 0.290 1.00 0.00 C ATOM 161 C PRO A 12 -5.784 -6.267 1.304 1.00 0.00 C ATOM 162 O PRO A 12 -5.751 -6.552 2.485 1.00 0.00 O ATOM 163 CB PRO A 12 -6.003 -6.895 -1.123 1.00 0.00 C ATOM 164 CG PRO A 12 -6.978 -5.800 -1.664 1.00 0.00 C ATOM 165 CD PRO A 12 -8.324 -5.996 -0.905 1.00 0.00 C ATOM 0 HA PRO A 12 -6.326 -8.191 0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.971 -6.546 -1.121 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.034 -7.796 -1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -6.576 -4.802 -1.490 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.120 -5.904 -2.740 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.752 -5.047 -0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.073 -6.490 -1.524 1.00 0.00 H new ATOM 173 N VAL A 13 -5.210 -5.182 0.854 1.00 0.00 N ATOM 174 CA VAL A 13 -4.497 -4.268 1.789 1.00 0.00 C ATOM 175 C VAL A 13 -4.841 -2.821 1.432 1.00 0.00 C ATOM 176 O VAL A 13 -3.986 -2.070 1.009 1.00 0.00 O ATOM 177 CB VAL A 13 -2.988 -4.482 1.664 1.00 0.00 C ATOM 178 CG1 VAL A 13 -2.263 -3.614 2.695 1.00 0.00 C ATOM 179 CG2 VAL A 13 -2.658 -5.955 1.918 1.00 0.00 C ATOM 0 H VAL A 13 -5.205 -4.890 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.805 -4.477 2.814 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.664 -4.204 0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.187 -3.766 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.497 -2.565 2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.588 -3.892 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.582 -6.108 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.982 -6.233 2.921 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.174 -6.575 1.185 1.00 0.00 H new ATOM 189 N PRO A 14 -6.092 -2.475 1.612 1.00 0.00 N ATOM 190 CA PRO A 14 -6.567 -1.135 1.315 1.00 0.00 C ATOM 191 C PRO A 14 -5.649 -0.094 1.960 1.00 0.00 C ATOM 192 O PRO A 14 -5.254 -0.230 3.101 1.00 0.00 O ATOM 193 CB PRO A 14 -7.962 -1.081 1.927 1.00 0.00 C ATOM 194 CG PRO A 14 -8.412 -2.575 1.934 1.00 0.00 C ATOM 195 CD PRO A 14 -7.111 -3.403 2.127 1.00 0.00 C ATOM 0 HA PRO A 14 -6.579 -0.920 0.247 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -7.943 -0.662 2.933 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.636 -0.461 1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.122 -2.767 2.739 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.910 -2.839 1.001 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.940 -3.660 3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.134 -4.338 1.568 1.00 0.00 H new ATOM 203 N LEU A 15 -5.309 0.947 1.248 1.00 0.00 N ATOM 204 CA LEU A 15 -4.422 1.982 1.845 1.00 0.00 C ATOM 205 C LEU A 15 -5.110 3.352 1.824 1.00 0.00 C ATOM 206 O LEU A 15 -4.526 4.319 1.393 1.00 0.00 O ATOM 207 CB LEU A 15 -3.111 2.064 1.059 1.00 0.00 C ATOM 208 CG LEU A 15 -2.542 0.659 0.862 1.00 0.00 C ATOM 209 CD1 LEU A 15 -2.449 0.349 -0.633 1.00 0.00 C ATOM 210 CD2 LEU A 15 -1.145 0.588 1.481 1.00 0.00 C ATOM 0 H LEU A 15 -5.605 1.123 0.288 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.213 1.702 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.284 2.536 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.393 2.686 1.593 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.195 -0.068 1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.043 -0.653 -0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.442 0.403 -1.078 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.795 1.076 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.736 -0.413 1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.495 1.316 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.207 0.810 2.546 1.00 0.00 H new ATOM 222 N PRO A 16 -6.324 3.400 2.312 1.00 0.00 N ATOM 223 CA PRO A 16 -7.075 4.640 2.387 1.00 0.00 C ATOM 224 C PRO A 16 -6.168 5.811 2.794 1.00 0.00 C ATOM 225 O PRO A 16 -6.301 6.909 2.293 1.00 0.00 O ATOM 226 CB PRO A 16 -8.128 4.375 3.453 1.00 0.00 C ATOM 227 CG PRO A 16 -8.325 2.823 3.420 1.00 0.00 C ATOM 228 CD PRO A 16 -7.030 2.212 2.801 1.00 0.00 C ATOM 0 HA PRO A 16 -7.511 4.919 1.428 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.795 4.714 4.434 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.058 4.899 3.233 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.493 2.434 4.424 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.199 2.558 2.825 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.444 1.667 3.541 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.255 1.513 1.995 1.00 0.00 H new ATOM 236 N GLU A 17 -5.249 5.588 3.701 1.00 0.00 N ATOM 237 CA GLU A 17 -4.342 6.694 4.135 1.00 0.00 C ATOM 238 C GLU A 17 -3.882 7.488 2.910 1.00 0.00 C ATOM 239 O GLU A 17 -3.937 8.701 2.882 1.00 0.00 O ATOM 240 CB GLU A 17 -3.123 6.103 4.846 1.00 0.00 C ATOM 241 CG GLU A 17 -2.923 6.807 6.190 1.00 0.00 C ATOM 242 CD GLU A 17 -2.031 8.035 5.996 1.00 0.00 C ATOM 243 OE1 GLU A 17 -1.705 8.331 4.858 1.00 0.00 O ATOM 244 OE2 GLU A 17 -1.689 8.656 6.988 1.00 0.00 O ATOM 0 H GLU A 17 -5.088 4.690 4.158 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.876 7.356 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.263 5.033 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.234 6.222 4.226 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.887 7.106 6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.468 6.123 6.906 1.00 0.00 H new ATOM 251 N LEU A 18 -3.430 6.805 1.897 1.00 0.00 N ATOM 252 CA LEU A 18 -2.964 7.493 0.664 1.00 0.00 C ATOM 253 C LEU A 18 -4.163 7.701 -0.275 1.00 0.00 C ATOM 254 O LEU A 18 -4.862 6.759 -0.590 1.00 0.00 O ATOM 255 CB LEU A 18 -1.933 6.602 -0.033 1.00 0.00 C ATOM 256 CG LEU A 18 -0.682 7.413 -0.362 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.459 6.984 0.562 1.00 0.00 C ATOM 258 CD2 LEU A 18 -0.286 7.149 -1.815 1.00 0.00 C ATOM 0 H LEU A 18 -3.363 5.788 1.871 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.519 8.456 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.673 5.761 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.358 6.186 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.882 8.475 -0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.353 7.562 0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.173 7.160 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.665 5.923 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.607 7.724 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.081 6.087 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.101 7.447 -2.474 1.00 0.00 H new ATOM 270 N PRO A 19 -4.375 8.929 -0.687 1.00 0.00 N ATOM 271 CA PRO A 19 -5.486 9.263 -1.570 1.00 0.00 C ATOM 272 C PRO A 19 -5.233 8.735 -2.986 1.00 0.00 C ATOM 273 O PRO A 19 -4.130 8.362 -3.335 1.00 0.00 O ATOM 274 CB PRO A 19 -5.531 10.787 -1.566 1.00 0.00 C ATOM 275 CG PRO A 19 -4.066 11.194 -1.217 1.00 0.00 C ATOM 276 CD PRO A 19 -3.523 10.063 -0.299 1.00 0.00 C ATOM 0 HA PRO A 19 -6.425 8.818 -1.240 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.837 11.182 -2.535 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.239 11.166 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.461 11.291 -2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.038 12.158 -0.709 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.467 9.862 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.625 10.309 0.758 1.00 0.00 H new ATOM 284 N CYS A 20 -6.253 8.701 -3.803 1.00 0.00 N ATOM 285 CA CYS A 20 -6.081 8.198 -5.196 1.00 0.00 C ATOM 286 C CYS A 20 -6.346 9.331 -6.191 1.00 0.00 C ATOM 287 O CYS A 20 -5.437 9.999 -6.642 1.00 0.00 O ATOM 288 CB CYS A 20 -7.068 7.058 -5.452 1.00 0.00 C ATOM 289 SG CYS A 20 -6.153 5.515 -5.682 1.00 0.00 S ATOM 0 H CYS A 20 -7.198 9.000 -3.564 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.061 7.835 -5.324 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.758 6.964 -4.613 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.669 7.273 -6.336 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.973 5.627 -5.149 1.00 0.00 H new ATOM 295 N GLU A 21 -7.586 9.550 -6.540 1.00 0.00 N ATOM 296 CA GLU A 21 -7.908 10.635 -7.509 1.00 0.00 C ATOM 297 C GLU A 21 -8.661 11.755 -6.790 1.00 0.00 C ATOM 298 O GLU A 21 -9.398 12.507 -7.396 1.00 0.00 O ATOM 299 CB GLU A 21 -8.782 10.074 -8.634 1.00 0.00 C ATOM 300 CG GLU A 21 -8.426 10.766 -9.951 1.00 0.00 C ATOM 301 CD GLU A 21 -9.647 10.778 -10.870 1.00 0.00 C ATOM 302 OE1 GLU A 21 -10.486 9.904 -10.720 1.00 0.00 O ATOM 303 OE2 GLU A 21 -9.725 11.659 -11.710 1.00 0.00 O ATOM 0 H GLU A 21 -8.389 9.024 -6.195 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.984 11.030 -7.930 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.631 8.998 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.836 10.230 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.093 11.786 -9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.599 10.246 -10.435 1.00 0.00 H new ATOM 310 N LYS A 22 -8.490 11.870 -5.501 1.00 0.00 N ATOM 311 CA LYS A 22 -9.205 12.939 -4.751 1.00 0.00 C ATOM 312 C LYS A 22 -10.695 12.865 -5.083 1.00 0.00 C ATOM 313 O LYS A 22 -11.424 13.827 -4.943 1.00 0.00 O ATOM 314 CB LYS A 22 -8.656 14.308 -5.159 1.00 0.00 C ATOM 315 CG LYS A 22 -8.395 15.148 -3.907 1.00 0.00 C ATOM 316 CD LYS A 22 -9.725 15.666 -3.354 1.00 0.00 C ATOM 317 CE LYS A 22 -9.502 16.264 -1.965 1.00 0.00 C ATOM 318 NZ LYS A 22 -8.898 17.620 -2.098 1.00 0.00 N ATOM 0 H LYS A 22 -7.887 11.271 -4.937 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.058 12.800 -3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.734 14.187 -5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.367 14.817 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.884 14.548 -3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.738 15.984 -4.147 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.141 16.419 -4.023 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.449 14.853 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.449 16.327 -1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.847 15.618 -1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.746 18.027 -1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.987 17.547 -2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.539 18.234 -2.640 1.00 0.00 H new ATOM 332 N SER A 23 -11.146 11.726 -5.528 1.00 0.00 N ATOM 333 CA SER A 23 -12.585 11.574 -5.879 1.00 0.00 C ATOM 334 C SER A 23 -13.296 10.793 -4.773 1.00 0.00 C ATOM 335 O SER A 23 -14.271 10.110 -5.014 1.00 0.00 O ATOM 336 CB SER A 23 -12.703 10.807 -7.196 1.00 0.00 C ATOM 337 OG SER A 23 -13.774 11.346 -7.960 1.00 0.00 O ATOM 0 H SER A 23 -10.577 10.890 -5.664 1.00 0.00 H new ATOM 0 HA SER A 23 -13.043 12.557 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.770 10.877 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.878 9.749 -7.000 1.00 0.00 H new ATOM 0 HG SER A 23 -13.414 11.820 -8.739 1.00 0.00 H new ATOM 343 N ASP A 24 -12.800 10.877 -3.567 1.00 0.00 N ATOM 344 CA ASP A 24 -13.423 10.132 -2.439 1.00 0.00 C ATOM 345 C ASP A 24 -12.932 8.688 -2.478 1.00 0.00 C ATOM 346 O ASP A 24 -13.371 7.849 -1.715 1.00 0.00 O ATOM 347 CB ASP A 24 -14.948 10.160 -2.564 1.00 0.00 C ATOM 348 CG ASP A 24 -15.398 11.552 -3.008 1.00 0.00 C ATOM 349 OD1 ASP A 24 -15.166 12.494 -2.267 1.00 0.00 O ATOM 350 OD2 ASP A 24 -15.970 11.654 -4.081 1.00 0.00 O ATOM 0 H ASP A 24 -11.984 11.435 -3.315 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.143 10.599 -1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.278 9.412 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.407 9.906 -1.608 1.00 0.00 H new ATOM 355 N ALA A 25 -12.019 8.390 -3.361 1.00 0.00 N ATOM 356 CA ALA A 25 -11.497 7.004 -3.448 1.00 0.00 C ATOM 357 C ALA A 25 -10.171 6.920 -2.696 1.00 0.00 C ATOM 358 O ALA A 25 -9.768 7.848 -2.024 1.00 0.00 O ATOM 359 CB ALA A 25 -11.278 6.629 -4.915 1.00 0.00 C ATOM 0 H ALA A 25 -11.614 9.050 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.215 6.314 -3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.895 5.611 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.224 6.694 -5.452 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.559 7.315 -5.363 1.00 0.00 H new ATOM 365 N TYR A 26 -9.488 5.817 -2.800 1.00 0.00 N ATOM 366 CA TYR A 26 -8.190 5.681 -2.088 1.00 0.00 C ATOM 367 C TYR A 26 -7.270 4.747 -2.873 1.00 0.00 C ATOM 368 O TYR A 26 -7.532 4.416 -4.011 1.00 0.00 O ATOM 369 CB TYR A 26 -8.425 5.115 -0.686 1.00 0.00 C ATOM 370 CG TYR A 26 -9.675 4.266 -0.666 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.936 4.872 -0.696 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.570 2.870 -0.612 1.00 0.00 C ATOM 373 CE1 TYR A 26 -12.093 4.084 -0.672 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.727 2.082 -0.587 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.988 2.688 -0.617 1.00 0.00 C ATOM 376 OH TYR A 26 -13.128 1.912 -0.592 1.00 0.00 O ATOM 0 H TYR A 26 -9.772 5.004 -3.347 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.722 6.662 -2.004 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.567 4.518 -0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.519 5.930 0.032 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.017 5.948 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.597 2.402 -0.590 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.066 4.552 -0.696 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.646 1.006 -0.545 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.653 2.076 -1.403 1.00 0.00 H new ATOM 386 N PHE A 27 -6.185 4.326 -2.280 1.00 0.00 N ATOM 387 CA PHE A 27 -5.250 3.422 -3.006 1.00 0.00 C ATOM 388 C PHE A 27 -5.223 2.046 -2.336 1.00 0.00 C ATOM 389 O PHE A 27 -4.408 1.776 -1.480 1.00 0.00 O ATOM 390 CB PHE A 27 -3.841 4.021 -2.983 1.00 0.00 C ATOM 391 CG PHE A 27 -3.422 4.392 -4.386 1.00 0.00 C ATOM 392 CD1 PHE A 27 -3.788 3.579 -5.465 1.00 0.00 C ATOM 393 CD2 PHE A 27 -2.669 5.550 -4.606 1.00 0.00 C ATOM 394 CE1 PHE A 27 -3.399 3.923 -6.763 1.00 0.00 C ATOM 395 CE2 PHE A 27 -2.279 5.895 -5.905 1.00 0.00 C ATOM 396 CZ PHE A 27 -2.645 5.080 -6.983 1.00 0.00 C ATOM 0 H PHE A 27 -5.908 4.568 -1.329 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.590 3.313 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.821 4.902 -2.342 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.137 3.304 -2.561 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.371 2.686 -5.295 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -2.389 6.178 -3.773 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.681 3.295 -7.596 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.697 6.788 -6.076 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.345 5.345 -7.986 1.00 0.00 H new ATOM 406 N VAL A 28 -6.103 1.169 -2.728 1.00 0.00 N ATOM 407 CA VAL A 28 -6.122 -0.190 -2.121 1.00 0.00 C ATOM 408 C VAL A 28 -5.187 -1.111 -2.912 1.00 0.00 C ATOM 409 O VAL A 28 -5.255 -1.191 -4.122 1.00 0.00 O ATOM 410 CB VAL A 28 -7.554 -0.739 -2.154 1.00 0.00 C ATOM 411 CG1 VAL A 28 -7.542 -2.256 -1.956 1.00 0.00 C ATOM 412 CG2 VAL A 28 -8.368 -0.089 -1.032 1.00 0.00 C ATOM 0 H VAL A 28 -6.811 1.335 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.782 -0.140 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.002 -0.510 -3.121 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.564 -2.634 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.963 -2.722 -2.753 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.091 -2.494 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.387 -0.476 -1.051 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.910 -0.319 -0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.387 0.991 -1.175 1.00 0.00 H new ATOM 422 N LEU A 29 -4.311 -1.803 -2.234 1.00 0.00 N ATOM 423 CA LEU A 29 -3.368 -2.715 -2.942 1.00 0.00 C ATOM 424 C LEU A 29 -4.120 -3.950 -3.442 1.00 0.00 C ATOM 425 O LEU A 29 -4.979 -4.482 -2.770 1.00 0.00 O ATOM 426 CB LEU A 29 -2.259 -3.149 -1.979 1.00 0.00 C ATOM 427 CG LEU A 29 -1.433 -4.276 -2.610 1.00 0.00 C ATOM 428 CD1 LEU A 29 -0.018 -3.776 -2.899 1.00 0.00 C ATOM 429 CD2 LEU A 29 -1.367 -5.459 -1.644 1.00 0.00 C ATOM 0 H LEU A 29 -4.208 -1.776 -1.220 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.930 -2.191 -3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.615 -2.301 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.694 -3.487 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.902 -4.591 -3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.567 -4.579 -3.347 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.064 -2.932 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.453 -3.460 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.780 -6.261 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.898 -5.142 -0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.376 -5.818 -1.439 1.00 0.00 H new ATOM 441 N ARG A 30 -3.791 -4.413 -4.616 1.00 0.00 N ATOM 442 CA ARG A 30 -4.469 -5.618 -5.166 1.00 0.00 C ATOM 443 C ARG A 30 -3.464 -6.420 -5.993 1.00 0.00 C ATOM 444 O ARG A 30 -2.280 -6.148 -5.978 1.00 0.00 O ATOM 445 CB ARG A 30 -5.640 -5.188 -6.051 1.00 0.00 C ATOM 446 CG ARG A 30 -6.889 -5.004 -5.187 1.00 0.00 C ATOM 447 CD ARG A 30 -7.658 -3.768 -5.657 1.00 0.00 C ATOM 448 NE ARG A 30 -8.012 -3.920 -7.097 1.00 0.00 N ATOM 449 CZ ARG A 30 -9.205 -4.324 -7.437 1.00 0.00 C ATOM 450 NH1 ARG A 30 -9.566 -5.558 -7.210 1.00 0.00 N ATOM 451 NH2 ARG A 30 -10.037 -3.494 -8.004 1.00 0.00 N ATOM 0 H ARG A 30 -3.078 -4.006 -5.221 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.847 -6.234 -4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.399 -4.257 -6.565 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.824 -5.938 -6.820 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.524 -5.887 -5.254 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.607 -4.893 -4.140 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.562 -3.641 -5.061 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -7.052 -2.873 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.321 -3.708 -7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.915 -6.206 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.499 -5.874 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.754 -2.530 -8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.970 -3.809 -8.270 1.00 0.00 H new ATOM 465 N ASP A 31 -3.921 -7.404 -6.717 1.00 0.00 N ATOM 466 CA ASP A 31 -2.980 -8.213 -7.540 1.00 0.00 C ATOM 467 C ASP A 31 -3.459 -8.229 -8.994 1.00 0.00 C ATOM 468 O ASP A 31 -4.443 -8.858 -9.325 1.00 0.00 O ATOM 469 CB ASP A 31 -2.928 -9.644 -7.000 1.00 0.00 C ATOM 470 CG ASP A 31 -4.283 -10.321 -7.216 1.00 0.00 C ATOM 471 OD1 ASP A 31 -5.129 -10.198 -6.346 1.00 0.00 O ATOM 472 OD2 ASP A 31 -4.451 -10.951 -8.246 1.00 0.00 O ATOM 0 H ASP A 31 -4.901 -7.682 -6.774 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.984 -7.773 -7.492 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.144 -10.207 -7.506 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.679 -9.635 -5.939 1.00 0.00 H new ATOM 477 N GLY A 32 -2.771 -7.541 -9.863 1.00 0.00 N ATOM 478 CA GLY A 32 -3.188 -7.517 -11.293 1.00 0.00 C ATOM 479 C GLY A 32 -2.730 -8.804 -11.981 1.00 0.00 C ATOM 480 O GLY A 32 -3.082 -9.895 -11.578 1.00 0.00 O ATOM 0 H GLY A 32 -1.938 -6.994 -9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.271 -7.419 -11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.756 -6.651 -11.794 1.00 0.00 H new ATOM 484 N ALA A 33 -1.946 -8.686 -13.018 1.00 0.00 N ATOM 485 CA ALA A 33 -1.466 -9.902 -13.731 1.00 0.00 C ATOM 486 C ALA A 33 0.063 -9.915 -13.744 1.00 0.00 C ATOM 487 O ALA A 33 0.685 -10.957 -13.683 1.00 0.00 O ATOM 488 CB ALA A 33 -1.987 -9.889 -15.171 1.00 0.00 C ATOM 0 H ALA A 33 -1.618 -7.800 -13.402 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.833 -10.791 -13.219 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.636 -10.779 -15.693 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.077 -9.879 -15.164 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.620 -8.999 -15.683 1.00 0.00 H new ATOM 494 N ALA A 34 0.676 -8.766 -13.820 1.00 0.00 N ATOM 495 CA ALA A 34 2.164 -8.714 -13.836 1.00 0.00 C ATOM 496 C ALA A 34 2.693 -8.809 -12.403 1.00 0.00 C ATOM 497 O ALA A 34 3.684 -9.460 -12.138 1.00 0.00 O ATOM 498 CB ALA A 34 2.624 -7.396 -14.462 1.00 0.00 C ATOM 0 H ALA A 34 0.210 -7.860 -13.872 1.00 0.00 H new ATOM 0 HA ALA A 34 2.549 -9.548 -14.423 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.713 -7.359 -14.473 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.248 -7.327 -15.483 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.239 -6.561 -13.877 1.00 0.00 H new ATOM 504 N GLY A 35 2.039 -8.164 -11.476 1.00 0.00 N ATOM 505 CA GLY A 35 2.505 -8.219 -10.061 1.00 0.00 C ATOM 506 C GLY A 35 1.612 -7.329 -9.193 1.00 0.00 C ATOM 507 O GLY A 35 0.956 -6.430 -9.680 1.00 0.00 O ATOM 0 H GLY A 35 1.203 -7.602 -11.637 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.476 -9.246 -9.697 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.541 -7.887 -9.995 1.00 0.00 H new ATOM 511 N VAL A 36 1.585 -7.572 -7.911 1.00 0.00 N ATOM 512 CA VAL A 36 0.736 -6.739 -7.013 1.00 0.00 C ATOM 513 C VAL A 36 0.896 -5.264 -7.386 1.00 0.00 C ATOM 514 O VAL A 36 1.793 -4.892 -8.118 1.00 0.00 O ATOM 515 CB VAL A 36 1.173 -6.954 -5.561 1.00 0.00 C ATOM 516 CG1 VAL A 36 2.698 -6.897 -5.474 1.00 0.00 C ATOM 517 CG2 VAL A 36 0.574 -5.859 -4.676 1.00 0.00 C ATOM 0 H VAL A 36 2.114 -8.311 -7.447 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.309 -7.027 -7.124 1.00 0.00 H new ATOM 0 HB VAL A 36 0.823 -7.928 -5.220 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.009 -7.050 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.128 -7.678 -6.102 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.046 -5.923 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.886 -6.014 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.922 -4.884 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.514 -5.897 -4.736 1.00 0.00 H new ATOM 527 N PHE A 37 0.033 -4.421 -6.891 1.00 0.00 N ATOM 528 CA PHE A 37 0.135 -2.971 -7.218 1.00 0.00 C ATOM 529 C PHE A 37 -0.862 -2.184 -6.367 1.00 0.00 C ATOM 530 O PHE A 37 -1.450 -2.703 -5.440 1.00 0.00 O ATOM 531 CB PHE A 37 -0.181 -2.760 -8.701 1.00 0.00 C ATOM 532 CG PHE A 37 -1.658 -2.971 -8.936 1.00 0.00 C ATOM 533 CD1 PHE A 37 -2.243 -4.209 -8.643 1.00 0.00 C ATOM 534 CD2 PHE A 37 -2.440 -1.930 -9.447 1.00 0.00 C ATOM 535 CE1 PHE A 37 -3.612 -4.404 -8.860 1.00 0.00 C ATOM 536 CE2 PHE A 37 -3.810 -2.125 -9.665 1.00 0.00 C ATOM 537 CZ PHE A 37 -4.396 -3.362 -9.370 1.00 0.00 C ATOM 0 H PHE A 37 -0.739 -4.673 -6.274 1.00 0.00 H new ATOM 0 HA PHE A 37 1.146 -2.621 -7.008 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.106 -1.754 -9.005 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.398 -3.455 -9.310 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.638 -5.013 -8.250 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.988 -0.976 -9.674 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -4.064 -5.359 -8.634 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.414 -1.322 -10.060 1.00 0.00 H new ATOM 0 HZ PHE A 37 -5.453 -3.512 -9.536 1.00 0.00 H new ATOM 547 N LEU A 38 -1.059 -0.935 -6.678 1.00 0.00 N ATOM 548 CA LEU A 38 -2.019 -0.109 -5.894 1.00 0.00 C ATOM 549 C LEU A 38 -3.011 0.551 -6.852 1.00 0.00 C ATOM 550 O LEU A 38 -2.672 1.467 -7.572 1.00 0.00 O ATOM 551 CB LEU A 38 -1.257 0.974 -5.128 1.00 0.00 C ATOM 552 CG LEU A 38 -0.217 0.320 -4.217 1.00 0.00 C ATOM 553 CD1 LEU A 38 0.458 1.394 -3.362 1.00 0.00 C ATOM 554 CD2 LEU A 38 -0.908 -0.695 -3.305 1.00 0.00 C ATOM 0 H LEU A 38 -0.595 -0.448 -7.445 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.554 -0.743 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.768 1.653 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.950 1.571 -4.536 1.00 0.00 H new ATOM 0 HG LEU A 38 0.533 -0.186 -4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.199 0.929 -2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.948 2.120 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.292 1.899 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.169 -1.162 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.657 -0.187 -2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.392 -1.460 -3.913 1.00 0.00 H new ATOM 566 N ALA A 39 -4.232 0.093 -6.868 1.00 0.00 N ATOM 567 CA ALA A 39 -5.237 0.701 -7.783 1.00 0.00 C ATOM 568 C ALA A 39 -6.223 1.543 -6.976 1.00 0.00 C ATOM 569 O ALA A 39 -6.421 1.332 -5.792 1.00 0.00 O ATOM 570 CB ALA A 39 -6.003 -0.400 -8.522 1.00 0.00 C ATOM 0 H ALA A 39 -4.576 -0.673 -6.289 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.721 1.332 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.736 0.052 -9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.305 -1.001 -9.104 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -6.514 -1.036 -7.799 1.00 0.00 H new ATOM 576 N ALA A 40 -6.850 2.490 -7.612 1.00 0.00 N ATOM 577 CA ALA A 40 -7.833 3.341 -6.897 1.00 0.00 C ATOM 578 C ALA A 40 -9.049 2.486 -6.539 1.00 0.00 C ATOM 579 O ALA A 40 -9.632 1.838 -7.384 1.00 0.00 O ATOM 580 CB ALA A 40 -8.254 4.500 -7.804 1.00 0.00 C ATOM 0 H ALA A 40 -6.722 2.711 -8.600 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.391 3.748 -5.987 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.976 5.127 -7.281 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.378 5.095 -8.064 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.707 4.105 -8.713 1.00 0.00 H new ATOM 586 N ASN A 41 -9.425 2.463 -5.290 1.00 0.00 N ATOM 587 CA ASN A 41 -10.594 1.635 -4.876 1.00 0.00 C ATOM 588 C ASN A 41 -11.837 2.037 -5.675 1.00 0.00 C ATOM 589 O ASN A 41 -12.824 1.328 -5.699 1.00 0.00 O ATOM 590 CB ASN A 41 -10.857 1.836 -3.382 1.00 0.00 C ATOM 591 CG ASN A 41 -12.220 1.244 -3.015 1.00 0.00 C ATOM 592 OD1 ASN A 41 -13.211 1.945 -2.985 1.00 0.00 O ATOM 593 ND2 ASN A 41 -12.311 -0.028 -2.734 1.00 0.00 N ATOM 0 H ASN A 41 -8.973 2.982 -4.537 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.373 0.586 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.072 1.357 -2.797 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.833 2.898 -3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.215 -0.433 -2.489 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.478 -0.617 -2.759 1.00 0.00 H new ATOM 600 N THR A 42 -11.803 3.165 -6.331 1.00 0.00 N ATOM 601 CA THR A 42 -12.990 3.597 -7.123 1.00 0.00 C ATOM 602 C THR A 42 -12.936 2.964 -8.518 1.00 0.00 C ATOM 603 O THR A 42 -13.606 3.401 -9.432 1.00 0.00 O ATOM 604 CB THR A 42 -12.987 5.120 -7.257 1.00 0.00 C ATOM 605 OG1 THR A 42 -11.648 5.594 -7.240 1.00 0.00 O ATOM 606 CG2 THR A 42 -13.766 5.738 -6.094 1.00 0.00 C ATOM 0 H THR A 42 -11.008 3.804 -6.353 1.00 0.00 H new ATOM 0 HA THR A 42 -13.899 3.277 -6.614 1.00 0.00 H new ATOM 0 HB THR A 42 -13.459 5.403 -8.198 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.352 5.772 -8.157 1.00 0.00 H new ATOM 0 HG21 THR A 42 -13.763 6.824 -6.190 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.794 5.375 -6.111 1.00 0.00 H new ATOM 0 HG23 THR A 42 -13.297 5.456 -5.151 1.00 0.00 H new ATOM 614 N PHE A 43 -12.150 1.937 -8.687 1.00 0.00 N ATOM 615 CA PHE A 43 -12.056 1.277 -10.016 1.00 0.00 C ATOM 616 C PHE A 43 -13.394 0.594 -10.332 1.00 0.00 C ATOM 617 O PHE A 43 -13.999 0.005 -9.460 1.00 0.00 O ATOM 618 CB PHE A 43 -10.943 0.231 -9.966 1.00 0.00 C ATOM 619 CG PHE A 43 -10.469 -0.079 -11.366 1.00 0.00 C ATOM 620 CD1 PHE A 43 -11.086 -1.093 -12.108 1.00 0.00 C ATOM 621 CD2 PHE A 43 -9.411 0.651 -11.921 1.00 0.00 C ATOM 622 CE1 PHE A 43 -10.644 -1.377 -13.406 1.00 0.00 C ATOM 623 CE2 PHE A 43 -8.969 0.366 -13.219 1.00 0.00 C ATOM 624 CZ PHE A 43 -9.586 -0.648 -13.962 1.00 0.00 C ATOM 0 H PHE A 43 -11.567 1.526 -7.958 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.834 2.013 -10.789 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.112 0.599 -9.364 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.306 -0.677 -9.486 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.902 -1.656 -11.680 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.936 1.434 -11.348 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.120 -2.159 -13.979 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.152 0.928 -13.647 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.246 -0.868 -14.963 1.00 0.00 H new ATOM 634 N PRO A 44 -13.815 0.683 -11.571 1.00 0.00 N ATOM 635 CA PRO A 44 -13.084 1.391 -12.613 1.00 0.00 C ATOM 636 C PRO A 44 -13.293 2.905 -12.488 1.00 0.00 C ATOM 637 O PRO A 44 -14.392 3.405 -12.631 1.00 0.00 O ATOM 638 CB PRO A 44 -13.696 0.883 -13.911 1.00 0.00 C ATOM 639 CG PRO A 44 -15.149 0.485 -13.499 1.00 0.00 C ATOM 640 CD PRO A 44 -15.069 0.051 -12.006 1.00 0.00 C ATOM 0 HA PRO A 44 -12.009 1.218 -12.555 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.694 1.652 -14.683 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.144 0.031 -14.308 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -15.834 1.324 -13.625 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.522 -0.328 -14.122 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.925 0.405 -11.432 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.039 -1.033 -11.897 1.00 0.00 H new ATOM 648 N LYS A 45 -12.244 3.638 -12.235 1.00 0.00 N ATOM 649 CA LYS A 45 -12.368 5.116 -12.113 1.00 0.00 C ATOM 650 C LYS A 45 -11.008 5.744 -12.415 1.00 0.00 C ATOM 651 O LYS A 45 -10.725 6.130 -13.532 1.00 0.00 O ATOM 652 CB LYS A 45 -12.805 5.483 -10.696 1.00 0.00 C ATOM 653 CG LYS A 45 -12.568 6.974 -10.473 1.00 0.00 C ATOM 654 CD LYS A 45 -13.410 7.463 -9.294 1.00 0.00 C ATOM 655 CE LYS A 45 -13.940 8.866 -9.593 1.00 0.00 C ATOM 656 NZ LYS A 45 -15.337 8.987 -9.089 1.00 0.00 N ATOM 0 H LYS A 45 -11.300 3.273 -12.107 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.114 5.487 -12.816 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.859 5.244 -10.553 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.244 4.899 -9.966 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.512 7.158 -10.278 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.828 7.531 -11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.240 6.779 -9.118 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.809 7.476 -8.385 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.305 9.615 -9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.911 9.056 -10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.457 9.905 -8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.001 8.919 -9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.529 8.221 -8.412 1.00 0.00 H new ATOM 670 N SER A 46 -10.162 5.840 -11.430 1.00 0.00 N ATOM 671 CA SER A 46 -8.818 6.432 -11.664 1.00 0.00 C ATOM 672 C SER A 46 -7.852 5.317 -12.065 1.00 0.00 C ATOM 673 O SER A 46 -7.760 4.298 -11.409 1.00 0.00 O ATOM 674 CB SER A 46 -8.324 7.101 -10.381 1.00 0.00 C ATOM 675 OG SER A 46 -9.402 7.203 -9.459 1.00 0.00 O ATOM 0 H SER A 46 -10.343 5.534 -10.474 1.00 0.00 H new ATOM 0 HA SER A 46 -8.873 7.177 -12.457 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.511 6.521 -9.945 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.926 8.091 -10.604 1.00 0.00 H new ATOM 0 HG SER A 46 -9.073 7.035 -8.551 1.00 0.00 H new ATOM 681 N ARG A 47 -7.132 5.496 -13.136 1.00 0.00 N ATOM 682 CA ARG A 47 -6.179 4.440 -13.569 1.00 0.00 C ATOM 683 C ARG A 47 -4.830 4.682 -12.896 1.00 0.00 C ATOM 684 O ARG A 47 -3.791 4.646 -13.526 1.00 0.00 O ATOM 685 CB ARG A 47 -6.010 4.491 -15.089 1.00 0.00 C ATOM 686 CG ARG A 47 -6.745 3.310 -15.725 1.00 0.00 C ATOM 687 CD ARG A 47 -7.143 3.667 -17.158 1.00 0.00 C ATOM 688 NE ARG A 47 -5.923 3.735 -18.009 1.00 0.00 N ATOM 689 CZ ARG A 47 -6.030 4.001 -19.282 1.00 0.00 C ATOM 690 NH1 ARG A 47 -6.129 5.238 -19.685 1.00 0.00 N ATOM 691 NH2 ARG A 47 -6.037 3.029 -20.154 1.00 0.00 N ATOM 0 H ARG A 47 -7.162 6.326 -13.728 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.563 3.460 -13.285 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.404 5.430 -15.478 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.952 4.457 -15.349 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.106 2.427 -15.723 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.632 3.063 -15.141 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.833 2.921 -17.552 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.665 4.624 -17.174 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.004 3.574 -17.597 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.123 5.998 -19.005 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.213 5.445 -20.680 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.959 2.062 -19.840 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.121 3.237 -21.149 1.00 0.00 H new ATOM 705 N GLU A 48 -4.841 4.929 -11.615 1.00 0.00 N ATOM 706 CA GLU A 48 -3.565 5.177 -10.892 1.00 0.00 C ATOM 707 C GLU A 48 -2.962 3.841 -10.457 1.00 0.00 C ATOM 708 O GLU A 48 -2.566 3.664 -9.323 1.00 0.00 O ATOM 709 CB GLU A 48 -3.837 6.047 -9.663 1.00 0.00 C ATOM 710 CG GLU A 48 -4.843 7.141 -10.025 1.00 0.00 C ATOM 711 CD GLU A 48 -5.200 7.942 -8.772 1.00 0.00 C ATOM 712 OE1 GLU A 48 -4.345 8.669 -8.294 1.00 0.00 O ATOM 713 OE2 GLU A 48 -6.322 7.814 -8.312 1.00 0.00 O ATOM 0 H GLU A 48 -5.681 4.970 -11.038 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.865 5.692 -11.549 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.227 5.435 -8.850 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.909 6.495 -9.308 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.421 7.801 -10.783 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.741 6.696 -10.453 1.00 0.00 H new ATOM 720 N THR A 49 -2.892 2.897 -11.355 1.00 0.00 N ATOM 721 CA THR A 49 -2.317 1.569 -11.000 1.00 0.00 C ATOM 722 C THR A 49 -0.828 1.543 -11.349 1.00 0.00 C ATOM 723 O THR A 49 -0.420 1.984 -12.405 1.00 0.00 O ATOM 724 CB THR A 49 -3.043 0.474 -11.786 1.00 0.00 C ATOM 725 OG1 THR A 49 -2.432 0.323 -13.060 1.00 0.00 O ATOM 726 CG2 THR A 49 -4.512 0.857 -11.963 1.00 0.00 C ATOM 0 H THR A 49 -3.209 2.988 -12.320 1.00 0.00 H new ATOM 0 HA THR A 49 -2.441 1.396 -9.931 1.00 0.00 H new ATOM 0 HB THR A 49 -2.981 -0.467 -11.240 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.754 1.020 -13.182 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.027 0.076 -12.523 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.979 0.970 -10.985 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.579 1.799 -12.508 1.00 0.00 H new ATOM 734 N ARG A 50 -0.014 1.029 -10.467 1.00 0.00 N ATOM 735 CA ARG A 50 1.450 0.970 -10.743 1.00 0.00 C ATOM 736 C ARG A 50 2.201 0.739 -9.430 1.00 0.00 C ATOM 737 O ARG A 50 1.824 1.247 -8.392 1.00 0.00 O ATOM 738 CB ARG A 50 1.909 2.290 -11.366 1.00 0.00 C ATOM 739 CG ARG A 50 1.210 3.457 -10.665 1.00 0.00 C ATOM 740 CD ARG A 50 2.060 4.721 -10.810 1.00 0.00 C ATOM 741 NE ARG A 50 1.641 5.721 -9.788 1.00 0.00 N ATOM 742 CZ ARG A 50 2.295 6.845 -9.669 1.00 0.00 C ATOM 743 NH1 ARG A 50 3.568 6.892 -9.950 1.00 0.00 N ATOM 744 NH2 ARG A 50 1.674 7.922 -9.270 1.00 0.00 N ATOM 0 H ARG A 50 -0.300 0.647 -9.566 1.00 0.00 H new ATOM 0 HA ARG A 50 1.658 0.153 -11.434 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.990 2.391 -11.273 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.678 2.301 -12.431 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.223 3.618 -11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.061 3.225 -9.610 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.115 4.479 -10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 50 1.944 5.137 -11.811 1.00 0.00 H new ATOM 0 HE ARG A 50 0.844 5.528 -9.182 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.053 6.051 -10.263 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.079 7.770 -9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.678 7.885 -9.051 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.184 8.800 -9.177 1.00 0.00 H new ATOM 758 N ALA A 51 3.259 -0.024 -9.465 1.00 0.00 N ATOM 759 CA ALA A 51 4.026 -0.282 -8.215 1.00 0.00 C ATOM 760 C ALA A 51 4.210 1.034 -7.450 1.00 0.00 C ATOM 761 O ALA A 51 4.342 2.082 -8.051 1.00 0.00 O ATOM 762 CB ALA A 51 5.395 -0.859 -8.563 1.00 0.00 C ATOM 0 H ALA A 51 3.624 -0.478 -10.302 1.00 0.00 H new ATOM 0 HA ALA A 51 3.479 -0.993 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.954 -1.047 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.268 -1.794 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.942 -0.149 -9.183 1.00 0.00 H new ATOM 768 N PRO A 52 4.198 0.941 -6.145 1.00 0.00 N ATOM 769 CA PRO A 52 4.345 2.104 -5.289 1.00 0.00 C ATOM 770 C PRO A 52 5.824 2.447 -5.071 1.00 0.00 C ATOM 771 O PRO A 52 6.676 1.579 -5.031 1.00 0.00 O ATOM 772 CB PRO A 52 3.720 1.669 -3.972 1.00 0.00 C ATOM 773 CG PRO A 52 3.933 0.119 -3.950 1.00 0.00 C ATOM 774 CD PRO A 52 4.024 -0.337 -5.439 1.00 0.00 C ATOM 0 HA PRO A 52 3.880 2.991 -5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.203 2.151 -3.122 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.662 1.928 -3.927 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.843 -0.140 -3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 52 3.107 -0.379 -3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.863 -1.013 -5.607 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.123 -0.860 -5.760 1.00 0.00 H new ATOM 782 N LEU A 53 6.130 3.706 -4.903 1.00 0.00 N ATOM 783 CA LEU A 53 7.542 4.105 -4.651 1.00 0.00 C ATOM 784 C LEU A 53 8.090 3.236 -3.516 1.00 0.00 C ATOM 785 O LEU A 53 7.362 2.840 -2.628 1.00 0.00 O ATOM 786 CB LEU A 53 7.583 5.571 -4.231 1.00 0.00 C ATOM 787 CG LEU A 53 8.658 6.294 -5.039 1.00 0.00 C ATOM 788 CD1 LEU A 53 9.961 5.499 -4.987 1.00 0.00 C ATOM 789 CD2 LEU A 53 8.205 6.434 -6.492 1.00 0.00 C ATOM 0 H LEU A 53 5.461 4.475 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 53 8.141 3.972 -5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.612 6.037 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.797 5.651 -3.165 1.00 0.00 H new ATOM 0 HG LEU A 53 8.820 7.285 -4.614 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.727 6.017 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.289 5.405 -3.952 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.799 4.507 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.975 6.951 -7.065 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.038 5.445 -6.918 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.278 7.007 -6.531 1.00 0.00 H new ATOM 801 N VAL A 54 9.356 2.929 -3.528 1.00 0.00 N ATOM 802 CA VAL A 54 9.913 2.083 -2.437 1.00 0.00 C ATOM 803 C VAL A 54 9.742 2.810 -1.104 1.00 0.00 C ATOM 804 O VAL A 54 9.580 2.198 -0.065 1.00 0.00 O ATOM 805 CB VAL A 54 11.395 1.811 -2.694 1.00 0.00 C ATOM 806 CG1 VAL A 54 11.870 0.684 -1.776 1.00 0.00 C ATOM 807 CG2 VAL A 54 11.589 1.384 -4.149 1.00 0.00 C ATOM 0 H VAL A 54 10.025 3.224 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 54 9.382 1.132 -2.406 1.00 0.00 H new ATOM 0 HB VAL A 54 11.969 2.716 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.927 0.488 -1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.729 0.978 -0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 54 11.294 -0.218 -1.979 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.646 1.190 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 54 11.014 0.478 -4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 54 11.245 2.179 -4.810 1.00 0.00 H new ATOM 817 N GLU A 55 9.762 4.115 -1.124 1.00 0.00 N ATOM 818 CA GLU A 55 9.586 4.879 0.141 1.00 0.00 C ATOM 819 C GLU A 55 8.117 4.819 0.557 1.00 0.00 C ATOM 820 O GLU A 55 7.791 4.818 1.727 1.00 0.00 O ATOM 821 CB GLU A 55 10.000 6.336 -0.077 1.00 0.00 C ATOM 822 CG GLU A 55 9.208 6.922 -1.249 1.00 0.00 C ATOM 823 CD GLU A 55 9.210 8.449 -1.154 1.00 0.00 C ATOM 824 OE1 GLU A 55 10.172 8.989 -0.633 1.00 0.00 O ATOM 825 OE2 GLU A 55 8.250 9.052 -1.605 1.00 0.00 O ATOM 0 H GLU A 55 9.892 4.683 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 55 10.208 4.445 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.816 6.917 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.069 6.395 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.649 6.605 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.184 6.547 -1.233 1.00 0.00 H new ATOM 832 N GLU A 56 7.226 4.758 -0.395 1.00 0.00 N ATOM 833 CA GLU A 56 5.778 4.684 -0.055 1.00 0.00 C ATOM 834 C GLU A 56 5.492 3.320 0.571 1.00 0.00 C ATOM 835 O GLU A 56 4.654 3.186 1.440 1.00 0.00 O ATOM 836 CB GLU A 56 4.942 4.851 -1.326 1.00 0.00 C ATOM 837 CG GLU A 56 4.310 6.245 -1.341 1.00 0.00 C ATOM 838 CD GLU A 56 4.103 6.695 -2.788 1.00 0.00 C ATOM 839 OE1 GLU A 56 4.162 5.850 -3.665 1.00 0.00 O ATOM 840 OE2 GLU A 56 3.892 7.878 -2.994 1.00 0.00 O ATOM 0 H GLU A 56 7.439 4.756 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 56 5.520 5.477 0.647 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.569 4.715 -2.207 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.165 4.087 -1.366 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.356 6.229 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.952 6.953 -0.817 1.00 0.00 H new ATOM 847 N LEU A 57 6.192 2.308 0.138 1.00 0.00 N ATOM 848 CA LEU A 57 5.975 0.950 0.708 1.00 0.00 C ATOM 849 C LEU A 57 6.472 0.932 2.154 1.00 0.00 C ATOM 850 O LEU A 57 5.843 0.375 3.032 1.00 0.00 O ATOM 851 CB LEU A 57 6.758 -0.077 -0.115 1.00 0.00 C ATOM 852 CG LEU A 57 5.990 -1.400 -0.163 1.00 0.00 C ATOM 853 CD1 LEU A 57 5.484 -1.757 1.236 1.00 0.00 C ATOM 854 CD2 LEU A 57 4.799 -1.263 -1.112 1.00 0.00 C ATOM 0 H LEU A 57 6.906 2.364 -0.588 1.00 0.00 H new ATOM 0 HA LEU A 57 4.914 0.702 0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.916 0.299 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.743 -0.234 0.325 1.00 0.00 H new ATOM 0 HG LEU A 57 6.654 -2.188 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.938 -2.700 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.331 -1.857 1.915 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.822 -0.969 1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.251 -2.205 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.139 -0.472 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.157 -1.014 -2.111 1.00 0.00 H new ATOM 866 N TYR A 58 7.597 1.546 2.411 1.00 0.00 N ATOM 867 CA TYR A 58 8.132 1.570 3.802 1.00 0.00 C ATOM 868 C TYR A 58 7.180 2.364 4.698 1.00 0.00 C ATOM 869 O TYR A 58 7.002 2.054 5.860 1.00 0.00 O ATOM 870 CB TYR A 58 9.510 2.232 3.806 1.00 0.00 C ATOM 871 CG TYR A 58 9.980 2.410 5.230 1.00 0.00 C ATOM 872 CD1 TYR A 58 9.453 3.441 6.018 1.00 0.00 C ATOM 873 CD2 TYR A 58 10.942 1.544 5.764 1.00 0.00 C ATOM 874 CE1 TYR A 58 9.889 3.606 7.338 1.00 0.00 C ATOM 875 CE2 TYR A 58 11.377 1.708 7.083 1.00 0.00 C ATOM 876 CZ TYR A 58 10.851 2.739 7.871 1.00 0.00 C ATOM 877 OH TYR A 58 11.280 2.902 9.173 1.00 0.00 O ATOM 0 H TYR A 58 8.167 2.031 1.718 1.00 0.00 H new ATOM 0 HA TYR A 58 8.219 0.550 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 58 10.221 1.620 3.251 1.00 0.00 H new ATOM 0 HB3 TYR A 58 9.462 3.198 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 58 8.710 4.109 5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 58 11.348 0.749 5.157 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.484 4.402 7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.119 1.039 7.494 1.00 0.00 H new ATOM 0 HH TYR A 58 11.948 2.217 9.386 1.00 0.00 H new ATOM 887 N ARG A 59 6.567 3.387 4.167 1.00 0.00 N ATOM 888 CA ARG A 59 5.627 4.200 4.989 1.00 0.00 C ATOM 889 C ARG A 59 4.436 3.334 5.406 1.00 0.00 C ATOM 890 O ARG A 59 3.991 3.377 6.536 1.00 0.00 O ATOM 891 CB ARG A 59 5.127 5.389 4.166 1.00 0.00 C ATOM 892 CG ARG A 59 4.702 6.520 5.104 1.00 0.00 C ATOM 893 CD ARG A 59 3.689 7.419 4.394 1.00 0.00 C ATOM 894 NE ARG A 59 3.221 8.478 5.332 1.00 0.00 N ATOM 895 CZ ARG A 59 3.320 9.736 5.000 1.00 0.00 C ATOM 896 NH1 ARG A 59 4.497 10.286 4.873 1.00 0.00 N ATOM 897 NH2 ARG A 59 2.244 10.443 4.793 1.00 0.00 N ATOM 0 H ARG A 59 6.677 3.694 3.201 1.00 0.00 H new ATOM 0 HA ARG A 59 6.143 4.564 5.878 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.913 5.736 3.495 1.00 0.00 H new ATOM 0 HB3 ARG A 59 4.286 5.085 3.542 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.264 6.108 6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.572 7.103 5.406 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.144 7.873 3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.843 6.827 4.046 1.00 0.00 H new ATOM 0 HE ARG A 59 2.823 8.219 6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.339 9.732 5.033 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.575 11.269 4.613 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.324 10.013 4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.322 11.426 4.534 1.00 0.00 H new ATOM 911 N PHE A 60 3.919 2.547 4.503 1.00 0.00 N ATOM 912 CA PHE A 60 2.759 1.679 4.848 1.00 0.00 C ATOM 913 C PHE A 60 3.260 0.274 5.188 1.00 0.00 C ATOM 914 O PHE A 60 2.534 -0.696 5.093 1.00 0.00 O ATOM 915 CB PHE A 60 1.805 1.605 3.654 1.00 0.00 C ATOM 916 CG PHE A 60 1.135 2.945 3.463 1.00 0.00 C ATOM 917 CD1 PHE A 60 1.885 4.048 3.037 1.00 0.00 C ATOM 918 CD2 PHE A 60 -0.236 3.085 3.711 1.00 0.00 C ATOM 919 CE1 PHE A 60 1.265 5.290 2.860 1.00 0.00 C ATOM 920 CE2 PHE A 60 -0.856 4.327 3.533 1.00 0.00 C ATOM 921 CZ PHE A 60 -0.106 5.429 3.108 1.00 0.00 C ATOM 0 H PHE A 60 4.250 2.468 3.541 1.00 0.00 H new ATOM 0 HA PHE A 60 2.234 2.097 5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.353 1.328 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.055 0.832 3.821 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.942 3.940 2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.815 2.235 4.040 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.844 6.141 2.532 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -1.914 4.435 3.724 1.00 0.00 H new ATOM 0 HZ PHE A 60 -0.585 6.387 2.971 1.00 0.00 H new ATOM 931 N ARG A 61 4.498 0.157 5.585 1.00 0.00 N ATOM 932 CA ARG A 61 5.046 -1.185 5.931 1.00 0.00 C ATOM 933 C ARG A 61 4.299 -1.741 7.144 1.00 0.00 C ATOM 934 O ARG A 61 3.954 -2.905 7.193 1.00 0.00 O ATOM 935 CB ARG A 61 6.535 -1.057 6.262 1.00 0.00 C ATOM 936 CG ARG A 61 7.346 -1.951 5.322 1.00 0.00 C ATOM 937 CD ARG A 61 7.637 -3.286 6.011 1.00 0.00 C ATOM 938 NE ARG A 61 9.040 -3.290 6.513 1.00 0.00 N ATOM 939 CZ ARG A 61 9.326 -2.725 7.654 1.00 0.00 C ATOM 940 NH1 ARG A 61 9.373 -1.424 7.745 1.00 0.00 N ATOM 941 NH2 ARG A 61 9.567 -3.462 8.704 1.00 0.00 N ATOM 0 H ARG A 61 5.153 0.932 5.685 1.00 0.00 H new ATOM 0 HA ARG A 61 4.919 -1.860 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.853 -0.020 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.714 -1.344 7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.794 -2.120 4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.280 -1.459 5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.943 -3.440 6.838 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.487 -4.109 5.312 1.00 0.00 H new ATOM 0 HE ARG A 61 9.777 -3.734 5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.186 -0.848 6.924 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.597 -0.983 8.637 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.532 -4.479 8.632 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.791 -3.021 9.596 1.00 0.00 H new ATOM 955 N ASP A 62 4.045 -0.918 8.125 1.00 0.00 N ATOM 956 CA ASP A 62 3.319 -1.402 9.333 1.00 0.00 C ATOM 957 C ASP A 62 1.836 -1.588 8.999 1.00 0.00 C ATOM 958 O ASP A 62 1.051 -1.997 9.831 1.00 0.00 O ATOM 959 CB ASP A 62 3.462 -0.375 10.458 1.00 0.00 C ATOM 960 CG ASP A 62 4.731 -0.669 11.261 1.00 0.00 C ATOM 961 OD1 ASP A 62 5.620 -1.302 10.715 1.00 0.00 O ATOM 962 OD2 ASP A 62 4.791 -0.258 12.408 1.00 0.00 O ATOM 0 H ASP A 62 4.309 0.067 8.142 1.00 0.00 H new ATOM 0 HA ASP A 62 3.741 -2.355 9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.507 0.631 10.042 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.590 -0.411 11.111 1.00 0.00 H new ATOM 967 N ARG A 63 1.446 -1.291 7.789 1.00 0.00 N ATOM 968 CA ARG A 63 0.015 -1.451 7.409 1.00 0.00 C ATOM 969 C ARG A 63 -0.104 -2.457 6.262 1.00 0.00 C ATOM 970 O ARG A 63 -1.181 -2.717 5.762 1.00 0.00 O ATOM 971 CB ARG A 63 -0.546 -0.100 6.961 1.00 0.00 C ATOM 972 CG ARG A 63 -2.073 -0.178 6.887 1.00 0.00 C ATOM 973 CD ARG A 63 -2.606 1.001 6.071 1.00 0.00 C ATOM 974 NE ARG A 63 -2.188 2.279 6.714 1.00 0.00 N ATOM 975 CZ ARG A 63 -2.585 2.561 7.925 1.00 0.00 C ATOM 976 NH1 ARG A 63 -3.813 2.948 8.136 1.00 0.00 N ATOM 977 NH2 ARG A 63 -1.754 2.455 8.925 1.00 0.00 N ATOM 0 H ARG A 63 2.056 -0.945 7.049 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.549 -1.815 8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.245 0.680 7.660 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.138 0.170 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.378 -1.119 6.428 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.498 -0.161 7.891 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.225 0.953 5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.693 0.952 6.008 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.592 2.933 6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.463 3.030 7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.123 3.168 9.083 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.794 2.152 8.760 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.064 2.675 9.871 1.00 0.00 H new ATOM 991 N LEU A 64 0.992 -3.027 5.838 1.00 0.00 N ATOM 992 CA LEU A 64 0.931 -4.013 4.723 1.00 0.00 C ATOM 993 C LEU A 64 1.002 -5.435 5.302 1.00 0.00 C ATOM 994 O LEU A 64 1.288 -5.612 6.470 1.00 0.00 O ATOM 995 CB LEU A 64 2.096 -3.745 3.745 1.00 0.00 C ATOM 996 CG LEU A 64 3.229 -4.760 3.937 1.00 0.00 C ATOM 997 CD1 LEU A 64 4.391 -4.415 3.003 1.00 0.00 C ATOM 998 CD2 LEU A 64 3.714 -4.718 5.387 1.00 0.00 C ATOM 0 H LEU A 64 1.924 -2.853 6.215 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.006 -3.913 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.731 -3.794 2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.479 -2.736 3.899 1.00 0.00 H new ATOM 0 HG LEU A 64 2.860 -5.759 3.705 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.195 -5.137 3.141 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.048 -4.447 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.758 -3.415 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.519 -5.440 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.080 -3.718 5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.888 -4.966 6.054 1.00 0.00 H new ATOM 1010 N PRO A 65 0.739 -6.407 4.464 1.00 0.00 N ATOM 1011 CA PRO A 65 0.768 -7.803 4.870 1.00 0.00 C ATOM 1012 C PRO A 65 2.209 -8.260 5.110 1.00 0.00 C ATOM 1013 O PRO A 65 2.706 -8.226 6.218 1.00 0.00 O ATOM 1014 CB PRO A 65 0.147 -8.556 3.698 1.00 0.00 C ATOM 1015 CG PRO A 65 0.391 -7.611 2.480 1.00 0.00 C ATOM 1016 CD PRO A 65 0.395 -6.166 3.054 1.00 0.00 C ATOM 0 HA PRO A 65 0.230 -7.978 5.802 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.618 -9.528 3.552 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.916 -8.738 3.857 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.338 -7.840 1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.391 -7.731 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.127 -5.530 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.575 -5.680 2.946 1.00 0.00 H new ATOM 1024 N GLU A 66 2.881 -8.694 4.082 1.00 0.00 N ATOM 1025 CA GLU A 66 4.285 -9.160 4.250 1.00 0.00 C ATOM 1026 C GLU A 66 4.849 -9.599 2.895 1.00 0.00 C ATOM 1027 O GLU A 66 6.035 -9.522 2.652 1.00 0.00 O ATOM 1028 CB GLU A 66 4.304 -10.345 5.213 1.00 0.00 C ATOM 1029 CG GLU A 66 5.694 -10.477 5.837 1.00 0.00 C ATOM 1030 CD GLU A 66 5.711 -11.667 6.799 1.00 0.00 C ATOM 1031 OE1 GLU A 66 4.680 -11.938 7.392 1.00 0.00 O ATOM 1032 OE2 GLU A 66 6.755 -12.286 6.926 1.00 0.00 O ATOM 0 H GLU A 66 2.518 -8.746 3.130 1.00 0.00 H new ATOM 0 HA GLU A 66 4.894 -8.348 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.556 -10.204 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.044 -11.261 4.683 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.443 -10.616 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.954 -9.562 6.369 1.00 0.00 H new ATOM 1039 N LYS A 67 4.009 -10.057 2.009 1.00 0.00 N ATOM 1040 CA LYS A 67 4.499 -10.508 0.672 1.00 0.00 C ATOM 1041 C LYS A 67 5.103 -9.335 -0.118 1.00 0.00 C ATOM 1042 O LYS A 67 5.564 -9.509 -1.229 1.00 0.00 O ATOM 1043 CB LYS A 67 3.329 -11.097 -0.120 1.00 0.00 C ATOM 1044 CG LYS A 67 3.864 -11.825 -1.354 1.00 0.00 C ATOM 1045 CD LYS A 67 3.124 -11.330 -2.599 1.00 0.00 C ATOM 1046 CE LYS A 67 1.819 -12.113 -2.763 1.00 0.00 C ATOM 1047 NZ LYS A 67 1.961 -13.086 -3.882 1.00 0.00 N ATOM 0 H LYS A 67 3.002 -10.139 2.151 1.00 0.00 H new ATOM 0 HA LYS A 67 5.273 -11.260 0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.763 -11.787 0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.644 -10.304 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.934 -11.647 -1.459 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.730 -12.901 -1.242 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.912 -10.265 -2.509 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.750 -11.457 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.579 -12.638 -1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.995 -11.429 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.075 -13.618 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.171 -12.574 -4.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.737 -13.746 -3.672 1.00 0.00 H new ATOM 1061 N LEU A 68 5.112 -8.147 0.428 1.00 0.00 N ATOM 1062 CA LEU A 68 5.695 -6.996 -0.323 1.00 0.00 C ATOM 1063 C LEU A 68 6.746 -6.297 0.544 1.00 0.00 C ATOM 1064 O LEU A 68 7.342 -5.318 0.141 1.00 0.00 O ATOM 1065 CB LEU A 68 4.598 -5.986 -0.692 1.00 0.00 C ATOM 1066 CG LEU A 68 3.223 -6.654 -0.650 1.00 0.00 C ATOM 1067 CD1 LEU A 68 2.553 -6.349 0.690 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.357 -6.105 -1.786 1.00 0.00 C ATOM 0 H LEU A 68 4.744 -7.925 1.353 1.00 0.00 H new ATOM 0 HA LEU A 68 6.156 -7.374 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.622 -5.144 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.784 -5.585 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 68 3.337 -7.732 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.572 -6.824 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.170 -6.734 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.438 -5.271 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.376 -6.580 -1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.242 -5.028 -1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.835 -6.316 -2.743 1.00 0.00 H new ATOM 1080 N ARG A 69 6.978 -6.786 1.730 1.00 0.00 N ATOM 1081 CA ARG A 69 7.989 -6.142 2.613 1.00 0.00 C ATOM 1082 C ARG A 69 9.338 -6.091 1.890 1.00 0.00 C ATOM 1083 O ARG A 69 9.915 -5.038 1.709 1.00 0.00 O ATOM 1084 CB ARG A 69 8.133 -6.953 3.904 1.00 0.00 C ATOM 1085 CG ARG A 69 8.892 -6.127 4.943 1.00 0.00 C ATOM 1086 CD ARG A 69 8.132 -6.155 6.271 1.00 0.00 C ATOM 1087 NE ARG A 69 8.290 -7.494 6.906 1.00 0.00 N ATOM 1088 CZ ARG A 69 8.714 -7.588 8.136 1.00 0.00 C ATOM 1089 NH1 ARG A 69 7.862 -7.553 9.125 1.00 0.00 N ATOM 1090 NH2 ARG A 69 9.989 -7.717 8.379 1.00 0.00 N ATOM 0 H ARG A 69 6.512 -7.603 2.125 1.00 0.00 H new ATOM 0 HA ARG A 69 7.666 -5.129 2.855 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.149 -7.224 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 69 8.665 -7.883 3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.897 -6.527 5.078 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.002 -5.099 4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 69 8.511 -5.379 6.936 1.00 0.00 H new ATOM 0 HD3 ARG A 69 7.076 -5.943 6.103 1.00 0.00 H new ATOM 0 HE ARG A 69 8.066 -8.338 6.378 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.865 -7.452 8.936 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.194 -7.627 10.087 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.655 -7.744 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.320 -7.790 9.341 1.00 0.00 H new ATOM 1104 N TYR A 70 9.844 -7.221 1.473 1.00 0.00 N ATOM 1105 CA TYR A 70 11.152 -7.227 0.759 1.00 0.00 C ATOM 1106 C TYR A 70 11.142 -6.139 -0.316 1.00 0.00 C ATOM 1107 O TYR A 70 12.169 -5.596 -0.677 1.00 0.00 O ATOM 1108 CB TYR A 70 11.374 -8.594 0.109 1.00 0.00 C ATOM 1109 CG TYR A 70 10.335 -8.821 -0.963 1.00 0.00 C ATOM 1110 CD1 TYR A 70 10.481 -8.218 -2.218 1.00 0.00 C ATOM 1111 CD2 TYR A 70 9.227 -9.636 -0.702 1.00 0.00 C ATOM 1112 CE1 TYR A 70 9.518 -8.430 -3.212 1.00 0.00 C ATOM 1113 CE2 TYR A 70 8.266 -9.849 -1.696 1.00 0.00 C ATOM 1114 CZ TYR A 70 8.410 -9.246 -2.951 1.00 0.00 C ATOM 1115 OH TYR A 70 7.462 -9.455 -3.931 1.00 0.00 O ATOM 0 H TYR A 70 9.410 -8.136 1.596 1.00 0.00 H new ATOM 0 HA TYR A 70 11.958 -7.033 1.466 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.374 -8.644 -0.323 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.312 -9.380 0.862 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.336 -7.590 -2.419 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.114 -10.100 0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.630 -7.964 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.412 -10.479 -1.495 1.00 0.00 H new ATOM 0 HH TYR A 70 6.760 -10.046 -3.587 1.00 0.00 H new ATOM 1125 N LEU A 71 9.984 -5.810 -0.820 1.00 0.00 N ATOM 1126 CA LEU A 71 9.894 -4.748 -1.860 1.00 0.00 C ATOM 1127 C LEU A 71 10.081 -3.388 -1.190 1.00 0.00 C ATOM 1128 O LEU A 71 10.807 -2.540 -1.670 1.00 0.00 O ATOM 1129 CB LEU A 71 8.518 -4.810 -2.527 1.00 0.00 C ATOM 1130 CG LEU A 71 8.632 -5.511 -3.881 1.00 0.00 C ATOM 1131 CD1 LEU A 71 7.407 -6.401 -4.100 1.00 0.00 C ATOM 1132 CD2 LEU A 71 8.698 -4.458 -4.984 1.00 0.00 C ATOM 0 H LEU A 71 9.094 -6.233 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 71 10.666 -4.895 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.817 -5.346 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.122 -3.803 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 71 9.533 -6.124 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.488 -6.901 -5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.354 -7.148 -3.308 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.505 -5.789 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.779 -4.951 -5.953 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.794 -3.850 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.568 -3.821 -4.827 1.00 0.00 H new ATOM 1144 N ALA A 72 9.440 -3.180 -0.073 1.00 0.00 N ATOM 1145 CA ALA A 72 9.587 -1.885 0.643 1.00 0.00 C ATOM 1146 C ALA A 72 11.016 -1.766 1.179 1.00 0.00 C ATOM 1147 O ALA A 72 11.420 -0.733 1.673 1.00 0.00 O ATOM 1148 CB ALA A 72 8.598 -1.837 1.811 1.00 0.00 C ATOM 0 H ALA A 72 8.819 -3.854 0.375 1.00 0.00 H new ATOM 0 HA ALA A 72 9.383 -1.061 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.703 -0.889 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.581 -1.930 1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.805 -2.658 2.497 1.00 0.00 H new ATOM 1154 N ASP A 73 11.783 -2.820 1.085 1.00 0.00 N ATOM 1155 CA ASP A 73 13.185 -2.771 1.588 1.00 0.00 C ATOM 1156 C ASP A 73 14.118 -2.337 0.458 1.00 0.00 C ATOM 1157 O ASP A 73 15.153 -1.743 0.686 1.00 0.00 O ATOM 1158 CB ASP A 73 13.599 -4.159 2.082 1.00 0.00 C ATOM 1159 CG ASP A 73 13.388 -4.248 3.594 1.00 0.00 C ATOM 1160 OD1 ASP A 73 12.932 -3.272 4.168 1.00 0.00 O ATOM 1161 OD2 ASP A 73 13.687 -5.291 4.153 1.00 0.00 O ATOM 0 H ASP A 73 11.498 -3.712 0.681 1.00 0.00 H new ATOM 0 HA ASP A 73 13.250 -2.057 2.409 1.00 0.00 H new ATOM 0 HB2 ASP A 73 13.012 -4.926 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 73 14.645 -4.346 1.839 1.00 0.00 H new ATOM 1166 N ALA A 74 13.762 -2.631 -0.762 1.00 0.00 N ATOM 1167 CA ALA A 74 14.630 -2.237 -1.906 1.00 0.00 C ATOM 1168 C ALA A 74 14.968 -0.746 -1.799 1.00 0.00 C ATOM 1169 O ALA A 74 14.263 0.002 -1.155 1.00 0.00 O ATOM 1170 CB ALA A 74 13.893 -2.500 -3.220 1.00 0.00 C ATOM 0 H ALA A 74 12.908 -3.127 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 74 15.550 -2.821 -1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.528 -2.212 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.652 -3.560 -3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.973 -1.916 -3.244 1.00 0.00 H new ATOM 1176 N PRO A 75 16.043 -0.360 -2.440 1.00 0.00 N ATOM 1177 CA PRO A 75 16.488 1.025 -2.434 1.00 0.00 C ATOM 1178 C PRO A 75 15.321 1.961 -2.766 1.00 0.00 C ATOM 1179 O PRO A 75 14.380 1.583 -3.436 1.00 0.00 O ATOM 1180 CB PRO A 75 17.558 1.084 -3.518 1.00 0.00 C ATOM 1181 CG PRO A 75 18.092 -0.381 -3.584 1.00 0.00 C ATOM 1182 CD PRO A 75 16.885 -1.290 -3.211 1.00 0.00 C ATOM 0 HA PRO A 75 16.869 1.340 -1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.143 1.403 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 75 18.350 1.788 -3.263 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.465 -0.616 -4.581 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.920 -0.527 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 75 16.372 -1.672 -4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 75 17.189 -2.154 -2.620 1.00 0.00 H new ATOM 1190 N GLN A 76 15.376 3.179 -2.301 1.00 0.00 N ATOM 1191 CA GLN A 76 14.273 4.142 -2.585 1.00 0.00 C ATOM 1192 C GLN A 76 14.859 5.435 -3.162 1.00 0.00 C ATOM 1193 O GLN A 76 14.273 6.492 -3.058 1.00 0.00 O ATOM 1194 CB GLN A 76 13.531 4.459 -1.285 1.00 0.00 C ATOM 1195 CG GLN A 76 13.440 3.195 -0.428 1.00 0.00 C ATOM 1196 CD GLN A 76 14.278 3.375 0.840 1.00 0.00 C ATOM 1197 OE1 GLN A 76 13.925 4.144 1.711 1.00 0.00 O ATOM 1198 NE2 GLN A 76 15.381 2.692 0.980 1.00 0.00 N ATOM 0 H GLN A 76 16.139 3.550 -1.735 1.00 0.00 H new ATOM 0 HA GLN A 76 13.582 3.702 -3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.052 5.245 -0.739 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.532 4.834 -1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.401 2.996 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 76 13.797 2.334 -0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.677 2.046 0.248 1.00 0.00 H new ATOM 0 HE22 GLN A 76 15.947 2.804 1.821 1.00 0.00 H new ATOM 1207 N GLN A 77 16.011 5.357 -3.777 1.00 0.00 N ATOM 1208 CA GLN A 77 16.639 6.581 -4.355 1.00 0.00 C ATOM 1209 C GLN A 77 17.809 6.177 -5.258 1.00 0.00 C ATOM 1210 O GLN A 77 18.067 6.799 -6.267 1.00 0.00 O ATOM 1211 CB GLN A 77 17.167 7.470 -3.226 1.00 0.00 C ATOM 1212 CG GLN A 77 16.043 8.358 -2.689 1.00 0.00 C ATOM 1213 CD GLN A 77 15.594 7.845 -1.319 1.00 0.00 C ATOM 1214 OE1 GLN A 77 16.274 7.047 -0.705 1.00 0.00 O ATOM 1215 NE2 GLN A 77 14.471 8.273 -0.812 1.00 0.00 N ATOM 0 H GLN A 77 16.544 4.497 -3.904 1.00 0.00 H new ATOM 0 HA GLN A 77 15.894 7.126 -4.935 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.568 6.852 -2.423 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.987 8.088 -3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.388 9.389 -2.608 1.00 0.00 H new ATOM 0 HG3 GLN A 77 15.202 8.357 -3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.901 8.943 -1.328 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.163 7.938 0.101 1.00 0.00 H new ATOM 1224 N ASP A 78 18.522 5.144 -4.895 1.00 0.00 N ATOM 1225 CA ASP A 78 19.678 4.694 -5.724 1.00 0.00 C ATOM 1226 C ASP A 78 20.916 5.552 -5.388 1.00 0.00 C ATOM 1227 O ASP A 78 20.794 6.610 -4.802 1.00 0.00 O ATOM 1228 CB ASP A 78 19.294 4.768 -7.219 1.00 0.00 C ATOM 1229 CG ASP A 78 20.079 5.855 -7.959 1.00 0.00 C ATOM 1230 OD1 ASP A 78 19.628 6.989 -7.963 1.00 0.00 O ATOM 1231 OD2 ASP A 78 21.116 5.534 -8.514 1.00 0.00 O ATOM 0 H ASP A 78 18.352 4.590 -4.056 1.00 0.00 H new ATOM 0 HA ASP A 78 19.931 3.657 -5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 78 19.480 3.802 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 78 18.226 4.966 -7.310 1.00 0.00 H new ATOM 1236 N PRO A 79 22.074 5.044 -5.745 1.00 0.00 N ATOM 1237 CA PRO A 79 23.347 5.709 -5.469 1.00 0.00 C ATOM 1238 C PRO A 79 23.312 7.202 -5.823 1.00 0.00 C ATOM 1239 O PRO A 79 24.052 7.992 -5.271 1.00 0.00 O ATOM 1240 CB PRO A 79 24.352 4.972 -6.347 1.00 0.00 C ATOM 1241 CG PRO A 79 23.722 3.554 -6.513 1.00 0.00 C ATOM 1242 CD PRO A 79 22.181 3.762 -6.461 1.00 0.00 C ATOM 0 HA PRO A 79 23.596 5.672 -4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 79 24.484 5.468 -7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 79 25.334 4.922 -5.877 1.00 0.00 H new ATOM 0 HG2 PRO A 79 24.023 3.101 -7.458 1.00 0.00 H new ATOM 0 HG3 PRO A 79 24.053 2.885 -5.719 1.00 0.00 H new ATOM 0 HD2 PRO A 79 21.741 3.812 -7.457 1.00 0.00 H new ATOM 0 HD3 PRO A 79 21.677 2.954 -5.930 1.00 0.00 H new ATOM 1250 N GLU A 80 22.474 7.598 -6.735 1.00 0.00 N ATOM 1251 CA GLU A 80 22.413 9.038 -7.115 1.00 0.00 C ATOM 1252 C GLU A 80 21.411 9.766 -6.217 1.00 0.00 C ATOM 1253 O GLU A 80 21.593 10.920 -5.878 1.00 0.00 O ATOM 1254 CB GLU A 80 21.971 9.161 -8.574 1.00 0.00 C ATOM 1255 CG GLU A 80 22.036 10.627 -9.007 1.00 0.00 C ATOM 1256 CD GLU A 80 22.243 10.706 -10.520 1.00 0.00 C ATOM 1257 OE1 GLU A 80 23.360 10.481 -10.957 1.00 0.00 O ATOM 1258 OE2 GLU A 80 21.282 10.989 -11.216 1.00 0.00 O ATOM 0 H GLU A 80 21.827 6.989 -7.236 1.00 0.00 H new ATOM 0 HA GLU A 80 23.399 9.486 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 80 22.613 8.554 -9.212 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.956 8.781 -8.690 1.00 0.00 H new ATOM 0 HG2 GLU A 80 21.116 11.140 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 80 22.852 11.133 -8.491 1.00 0.00 H new ATOM 1265 N GLY A 81 20.358 9.106 -5.823 1.00 0.00 N ATOM 1266 CA GLY A 81 19.352 9.767 -4.944 1.00 0.00 C ATOM 1267 C GLY A 81 17.976 9.726 -5.612 1.00 0.00 C ATOM 1268 O GLY A 81 16.957 9.695 -4.952 1.00 0.00 O ATOM 0 H GLY A 81 20.150 8.139 -6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 81 19.313 9.264 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.644 10.800 -4.754 1.00 0.00 H new ATOM 1272 N ASN A 82 17.939 9.731 -6.918 1.00 0.00 N ATOM 1273 CA ASN A 82 16.625 9.694 -7.628 1.00 0.00 C ATOM 1274 C ASN A 82 15.713 8.674 -6.950 1.00 0.00 C ATOM 1275 O ASN A 82 15.977 7.493 -6.974 1.00 0.00 O ATOM 1276 CB ASN A 82 16.819 9.270 -9.091 1.00 0.00 C ATOM 1277 CG ASN A 82 18.154 9.788 -9.628 1.00 0.00 C ATOM 1278 OD1 ASN A 82 18.476 10.949 -9.477 1.00 0.00 O ATOM 1279 ND2 ASN A 82 18.948 8.962 -10.254 1.00 0.00 N ATOM 0 H ASN A 82 18.759 9.759 -7.524 1.00 0.00 H new ATOM 0 HA ASN A 82 16.183 10.689 -7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 82 16.787 8.183 -9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.001 9.657 -9.699 1.00 0.00 H new ATOM 0 HD21 ASN A 82 19.842 9.291 -10.618 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.674 7.987 -10.379 1.00 0.00 H new ATOM 1286 N LYS A 83 14.635 9.103 -6.355 1.00 0.00 N ATOM 1287 CA LYS A 83 13.733 8.115 -5.702 1.00 0.00 C ATOM 1288 C LYS A 83 13.499 6.958 -6.661 1.00 0.00 C ATOM 1289 O LYS A 83 13.362 7.141 -7.854 1.00 0.00 O ATOM 1290 CB LYS A 83 12.395 8.760 -5.365 1.00 0.00 C ATOM 1291 CG LYS A 83 12.523 9.527 -4.052 1.00 0.00 C ATOM 1292 CD LYS A 83 11.279 9.288 -3.196 1.00 0.00 C ATOM 1293 CE LYS A 83 10.460 10.577 -3.111 1.00 0.00 C ATOM 1294 NZ LYS A 83 11.292 11.655 -2.508 1.00 0.00 N ATOM 0 H LYS A 83 14.343 10.078 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 83 14.196 7.761 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.091 9.434 -6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.621 7.997 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.414 9.203 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.641 10.592 -4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.676 8.490 -3.628 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.569 8.963 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.125 10.874 -4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.566 10.413 -2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.686 12.290 -1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.013 11.232 -1.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.759 12.196 -3.263 1.00 0.00 H new ATOM 1308 N THR A 84 13.439 5.772 -6.148 1.00 0.00 N ATOM 1309 CA THR A 84 13.197 4.599 -7.039 1.00 0.00 C ATOM 1310 C THR A 84 11.937 3.883 -6.575 1.00 0.00 C ATOM 1311 O THR A 84 11.725 3.679 -5.396 1.00 0.00 O ATOM 1312 CB THR A 84 14.382 3.625 -7.010 1.00 0.00 C ATOM 1313 OG1 THR A 84 13.922 2.324 -7.339 1.00 0.00 O ATOM 1314 CG2 THR A 84 15.012 3.602 -5.623 1.00 0.00 C ATOM 0 H THR A 84 13.545 5.556 -5.157 1.00 0.00 H new ATOM 0 HA THR A 84 13.079 4.954 -8.063 1.00 0.00 H new ATOM 0 HB THR A 84 15.130 3.951 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 84 13.597 1.878 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 84 15.852 2.907 -5.616 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.366 4.601 -5.367 1.00 0.00 H new ATOM 0 HG23 THR A 84 14.270 3.282 -4.892 1.00 0.00 H new ATOM 1322 N MET A 85 11.094 3.506 -7.490 1.00 0.00 N ATOM 1323 CA MET A 85 9.841 2.813 -7.091 1.00 0.00 C ATOM 1324 C MET A 85 9.915 1.341 -7.482 1.00 0.00 C ATOM 1325 O MET A 85 10.918 0.864 -7.974 1.00 0.00 O ATOM 1326 CB MET A 85 8.644 3.475 -7.784 1.00 0.00 C ATOM 1327 CG MET A 85 8.566 3.012 -9.240 1.00 0.00 C ATOM 1328 SD MET A 85 7.024 3.597 -9.978 1.00 0.00 S ATOM 1329 CE MET A 85 6.193 1.992 -10.017 1.00 0.00 C ATOM 0 H MET A 85 11.216 3.646 -8.493 1.00 0.00 H new ATOM 0 HA MET A 85 9.718 2.888 -6.010 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.722 3.219 -7.262 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.743 4.560 -7.743 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.418 3.396 -9.801 1.00 0.00 H new ATOM 0 HG3 MET A 85 8.615 1.924 -9.290 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.120 2.141 -10.134 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.572 1.406 -10.855 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.386 1.460 -9.085 1.00 0.00 H new ATOM 1339 N VAL A 86 8.855 0.618 -7.263 1.00 0.00 N ATOM 1340 CA VAL A 86 8.857 -0.823 -7.617 1.00 0.00 C ATOM 1341 C VAL A 86 8.442 -1.003 -9.079 1.00 0.00 C ATOM 1342 O VAL A 86 7.647 -0.258 -9.614 1.00 0.00 O ATOM 1343 CB VAL A 86 7.873 -1.563 -6.713 1.00 0.00 C ATOM 1344 CG1 VAL A 86 7.742 -3.014 -7.182 1.00 0.00 C ATOM 1345 CG2 VAL A 86 8.388 -1.531 -5.273 1.00 0.00 C ATOM 0 H VAL A 86 7.987 0.964 -6.854 1.00 0.00 H new ATOM 0 HA VAL A 86 9.860 -1.227 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 86 6.897 -1.080 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.040 -3.543 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.377 -3.033 -8.209 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.716 -3.501 -7.134 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.688 -2.058 -4.625 1.00 0.00 H new ATOM 0 HG22 VAL A 86 9.363 -2.015 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.480 -0.496 -4.942 1.00 0.00 H new ATOM 1355 N ARG A 87 8.976 -1.997 -9.724 1.00 0.00 N ATOM 1356 CA ARG A 87 8.617 -2.257 -11.145 1.00 0.00 C ATOM 1357 C ARG A 87 8.397 -3.760 -11.313 1.00 0.00 C ATOM 1358 O ARG A 87 8.422 -4.505 -10.354 1.00 0.00 O ATOM 1359 CB ARG A 87 9.752 -1.805 -12.066 1.00 0.00 C ATOM 1360 CG ARG A 87 10.340 -0.494 -11.546 1.00 0.00 C ATOM 1361 CD ARG A 87 9.386 0.650 -11.881 1.00 0.00 C ATOM 1362 NE ARG A 87 10.167 1.885 -12.170 1.00 0.00 N ATOM 1363 CZ ARG A 87 10.190 2.373 -13.381 1.00 0.00 C ATOM 1364 NH1 ARG A 87 10.086 1.576 -14.409 1.00 0.00 N ATOM 1365 NH2 ARG A 87 10.317 3.660 -13.563 1.00 0.00 N ATOM 0 H ARG A 87 9.653 -2.648 -9.325 1.00 0.00 H new ATOM 0 HA ARG A 87 7.714 -1.705 -11.406 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.526 -2.571 -12.109 1.00 0.00 H new ATOM 0 HB3 ARG A 87 9.379 -1.671 -13.081 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.493 -0.552 -10.468 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.316 -0.314 -11.998 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.773 0.385 -12.743 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.705 0.825 -11.048 1.00 0.00 H new ATOM 0 HE ARG A 87 10.683 2.349 -11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.987 0.571 -14.267 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.104 1.958 -15.355 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.398 4.283 -12.760 1.00 0.00 H new ATOM 0 HH22 ARG A 87 10.335 4.042 -14.509 1.00 0.00 H new ATOM 1379 N PHE A 88 8.188 -4.223 -12.513 1.00 0.00 N ATOM 1380 CA PHE A 88 7.980 -5.685 -12.703 1.00 0.00 C ATOM 1381 C PHE A 88 8.697 -6.155 -13.967 1.00 0.00 C ATOM 1382 O PHE A 88 8.588 -5.557 -15.018 1.00 0.00 O ATOM 1383 CB PHE A 88 6.489 -5.993 -12.830 1.00 0.00 C ATOM 1384 CG PHE A 88 6.307 -7.486 -12.952 1.00 0.00 C ATOM 1385 CD1 PHE A 88 6.635 -8.319 -11.875 1.00 0.00 C ATOM 1386 CD2 PHE A 88 5.817 -8.040 -14.140 1.00 0.00 C ATOM 1387 CE1 PHE A 88 6.472 -9.704 -11.985 1.00 0.00 C ATOM 1388 CE2 PHE A 88 5.656 -9.427 -14.251 1.00 0.00 C ATOM 1389 CZ PHE A 88 5.983 -10.259 -13.173 1.00 0.00 C ATOM 0 H PHE A 88 8.152 -3.659 -13.362 1.00 0.00 H new ATOM 0 HA PHE A 88 8.386 -6.208 -11.837 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.951 -5.618 -11.959 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.073 -5.490 -13.703 1.00 0.00 H new ATOM 0 HD1 PHE A 88 7.014 -7.892 -10.959 1.00 0.00 H new ATOM 0 HD2 PHE A 88 5.563 -7.398 -14.971 1.00 0.00 H new ATOM 0 HE1 PHE A 88 6.724 -10.345 -11.153 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.280 -9.855 -15.168 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.858 -11.328 -13.258 1.00 0.00 H new ATOM 1399 N SER A 89 9.417 -7.237 -13.871 1.00 0.00 N ATOM 1400 CA SER A 89 10.131 -7.768 -15.061 1.00 0.00 C ATOM 1401 C SER A 89 9.480 -9.089 -15.474 1.00 0.00 C ATOM 1402 O SER A 89 9.207 -9.938 -14.648 1.00 0.00 O ATOM 1403 CB SER A 89 11.601 -8.006 -14.714 1.00 0.00 C ATOM 1404 OG SER A 89 11.900 -7.371 -13.478 1.00 0.00 O ATOM 0 H SER A 89 9.541 -7.778 -13.015 1.00 0.00 H new ATOM 0 HA SER A 89 10.071 -7.052 -15.881 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.802 -9.075 -14.645 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.241 -7.612 -15.503 1.00 0.00 H new ATOM 0 HG SER A 89 12.112 -6.428 -13.638 1.00 0.00 H new ATOM 1410 N ARG A 90 9.226 -9.269 -16.740 1.00 0.00 N ATOM 1411 CA ARG A 90 8.588 -10.535 -17.192 1.00 0.00 C ATOM 1412 C ARG A 90 9.673 -11.564 -17.502 1.00 0.00 C ATOM 1413 O ARG A 90 9.411 -12.745 -17.612 1.00 0.00 O ATOM 1414 CB ARG A 90 7.757 -10.271 -18.450 1.00 0.00 C ATOM 1415 CG ARG A 90 7.045 -8.923 -18.320 1.00 0.00 C ATOM 1416 CD ARG A 90 7.541 -7.976 -19.415 1.00 0.00 C ATOM 1417 NE ARG A 90 6.607 -6.821 -19.532 1.00 0.00 N ATOM 1418 CZ ARG A 90 6.758 -5.955 -20.497 1.00 0.00 C ATOM 1419 NH1 ARG A 90 7.862 -5.268 -20.590 1.00 0.00 N ATOM 1420 NH2 ARG A 90 5.803 -5.779 -21.369 1.00 0.00 N ATOM 0 H ARG A 90 9.432 -8.596 -17.479 1.00 0.00 H new ATOM 0 HA ARG A 90 7.937 -10.916 -16.405 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.400 -10.271 -19.330 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.026 -11.068 -18.590 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.967 -9.060 -18.404 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.236 -8.492 -17.337 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.545 -7.623 -19.179 1.00 0.00 H new ATOM 0 HD3 ARG A 90 7.604 -8.504 -20.366 1.00 0.00 H new ATOM 0 HE ARG A 90 5.850 -6.707 -18.858 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.608 -5.407 -19.909 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.980 -4.591 -21.344 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.940 -6.318 -21.296 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.920 -5.103 -22.124 1.00 0.00 H new ATOM 1434 N LYS A 91 10.895 -11.127 -17.634 1.00 0.00 N ATOM 1435 CA LYS A 91 11.997 -12.083 -17.924 1.00 0.00 C ATOM 1436 C LYS A 91 12.151 -13.035 -16.738 1.00 0.00 C ATOM 1437 O LYS A 91 12.637 -14.140 -16.875 1.00 0.00 O ATOM 1438 CB LYS A 91 13.302 -11.312 -18.136 1.00 0.00 C ATOM 1439 CG LYS A 91 13.088 -10.226 -19.191 1.00 0.00 C ATOM 1440 CD LYS A 91 13.838 -8.959 -18.778 1.00 0.00 C ATOM 1441 CE LYS A 91 12.868 -7.984 -18.109 1.00 0.00 C ATOM 1442 NZ LYS A 91 11.832 -7.560 -19.093 1.00 0.00 N ATOM 0 H LYS A 91 11.177 -10.150 -17.553 1.00 0.00 H new ATOM 0 HA LYS A 91 11.767 -12.650 -18.826 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.628 -10.863 -17.198 1.00 0.00 H new ATOM 0 HB3 LYS A 91 14.091 -11.993 -18.455 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.444 -10.572 -20.162 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.024 -10.013 -19.299 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.647 -9.210 -18.093 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.293 -8.493 -19.652 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.395 -8.458 -17.249 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.409 -7.114 -17.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.561 -6.573 -18.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.215 -7.639 -20.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.996 -8.172 -19.002 1.00 0.00 H new ATOM 1456 N THR A 92 11.738 -12.613 -15.573 1.00 0.00 N ATOM 1457 CA THR A 92 11.858 -13.493 -14.377 1.00 0.00 C ATOM 1458 C THR A 92 10.602 -13.360 -13.512 1.00 0.00 C ATOM 1459 O THR A 92 10.525 -13.903 -12.429 1.00 0.00 O ATOM 1460 CB THR A 92 13.082 -13.077 -13.558 1.00 0.00 C ATOM 1461 OG1 THR A 92 13.056 -11.670 -13.355 1.00 0.00 O ATOM 1462 CG2 THR A 92 14.357 -13.463 -14.307 1.00 0.00 C ATOM 0 H THR A 92 11.323 -11.698 -15.399 1.00 0.00 H new ATOM 0 HA THR A 92 11.968 -14.528 -14.701 1.00 0.00 H new ATOM 0 HB THR A 92 13.064 -13.585 -12.594 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.412 -11.461 -12.466 1.00 0.00 H new ATOM 0 HG21 THR A 92 15.227 -13.166 -13.722 1.00 0.00 H new ATOM 0 HG22 THR A 92 14.375 -14.542 -14.462 1.00 0.00 H new ATOM 0 HG23 THR A 92 14.379 -12.957 -15.272 1.00 0.00 H new ATOM 1470 N LYS A 93 9.617 -12.643 -13.979 1.00 0.00 N ATOM 1471 CA LYS A 93 8.374 -12.478 -13.175 1.00 0.00 C ATOM 1472 C LYS A 93 8.748 -12.048 -11.755 1.00 0.00 C ATOM 1473 O LYS A 93 8.444 -12.725 -10.793 1.00 0.00 O ATOM 1474 CB LYS A 93 7.617 -13.806 -13.126 1.00 0.00 C ATOM 1475 CG LYS A 93 7.008 -14.098 -14.498 1.00 0.00 C ATOM 1476 CD LYS A 93 7.014 -15.608 -14.750 1.00 0.00 C ATOM 1477 CE LYS A 93 5.625 -16.180 -14.460 1.00 0.00 C ATOM 1478 NZ LYS A 93 5.625 -17.645 -14.731 1.00 0.00 N ATOM 0 H LYS A 93 9.619 -12.165 -14.880 1.00 0.00 H new ATOM 0 HA LYS A 93 7.739 -11.719 -13.632 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.293 -14.611 -12.838 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.833 -13.762 -12.370 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.988 -13.715 -14.544 1.00 0.00 H new ATOM 0 HG3 LYS A 93 7.576 -13.587 -15.276 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.295 -15.814 -15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.757 -16.090 -14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.352 -15.991 -13.422 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.879 -15.684 -15.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.681 -18.034 -14.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.868 -17.814 -15.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.326 -18.111 -14.120 1.00 0.00 H new ATOM 1492 N GLN A 94 9.407 -10.929 -11.616 1.00 0.00 N ATOM 1493 CA GLN A 94 9.803 -10.464 -10.255 1.00 0.00 C ATOM 1494 C GLN A 94 9.596 -8.951 -10.148 1.00 0.00 C ATOM 1495 O GLN A 94 9.070 -8.323 -11.044 1.00 0.00 O ATOM 1496 CB GLN A 94 11.276 -10.793 -10.012 1.00 0.00 C ATOM 1497 CG GLN A 94 11.460 -12.311 -9.981 1.00 0.00 C ATOM 1498 CD GLN A 94 12.903 -12.659 -10.349 1.00 0.00 C ATOM 1499 OE1 GLN A 94 13.648 -11.813 -10.803 1.00 0.00 O ATOM 1500 NE2 GLN A 94 13.332 -13.879 -10.173 1.00 0.00 N ATOM 0 H GLN A 94 9.688 -10.318 -12.383 1.00 0.00 H new ATOM 0 HA GLN A 94 9.189 -10.968 -9.509 1.00 0.00 H new ATOM 0 HB2 GLN A 94 11.892 -10.357 -10.799 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.607 -10.356 -9.070 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.224 -12.696 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.771 -12.786 -10.680 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.707 -14.589 -9.792 1.00 0.00 H new ATOM 0 HE22 GLN A 94 14.292 -14.122 -10.416 1.00 0.00 H new ATOM 1509 N GLN A 95 10.009 -8.360 -9.058 1.00 0.00 N ATOM 1510 CA GLN A 95 9.837 -6.887 -8.899 1.00 0.00 C ATOM 1511 C GLN A 95 11.200 -6.197 -8.982 1.00 0.00 C ATOM 1512 O GLN A 95 12.086 -6.453 -8.190 1.00 0.00 O ATOM 1513 CB GLN A 95 9.203 -6.570 -7.538 1.00 0.00 C ATOM 1514 CG GLN A 95 8.398 -7.769 -7.034 1.00 0.00 C ATOM 1515 CD GLN A 95 7.497 -8.285 -8.155 1.00 0.00 C ATOM 1516 OE1 GLN A 95 7.614 -9.419 -8.575 1.00 0.00 O ATOM 1517 NE2 GLN A 95 6.593 -7.492 -8.662 1.00 0.00 N ATOM 0 H GLN A 95 10.457 -8.833 -8.273 1.00 0.00 H new ATOM 0 HA GLN A 95 9.187 -6.525 -9.695 1.00 0.00 H new ATOM 0 HB2 GLN A 95 9.981 -6.317 -6.817 1.00 0.00 H new ATOM 0 HB3 GLN A 95 8.554 -5.699 -7.626 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.071 -8.559 -6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 95 7.796 -7.480 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.494 -6.540 -8.310 1.00 0.00 H new ATOM 0 HE22 GLN A 95 5.985 -7.824 -9.411 1.00 0.00 H new ATOM 1526 N TYR A 96 11.369 -5.311 -9.924 1.00 0.00 N ATOM 1527 CA TYR A 96 12.667 -4.590 -10.042 1.00 0.00 C ATOM 1528 C TYR A 96 12.420 -3.102 -9.773 1.00 0.00 C ATOM 1529 O TYR A 96 11.482 -2.525 -10.272 1.00 0.00 O ATOM 1530 CB TYR A 96 13.254 -4.800 -11.445 1.00 0.00 C ATOM 1531 CG TYR A 96 12.583 -3.888 -12.446 1.00 0.00 C ATOM 1532 CD1 TYR A 96 13.011 -2.563 -12.585 1.00 0.00 C ATOM 1533 CD2 TYR A 96 11.541 -4.373 -13.246 1.00 0.00 C ATOM 1534 CE1 TYR A 96 12.400 -1.723 -13.523 1.00 0.00 C ATOM 1535 CE2 TYR A 96 10.928 -3.534 -14.183 1.00 0.00 C ATOM 1536 CZ TYR A 96 11.357 -2.208 -14.322 1.00 0.00 C ATOM 1537 OH TYR A 96 10.753 -1.381 -15.246 1.00 0.00 O ATOM 0 H TYR A 96 10.665 -5.055 -10.616 1.00 0.00 H new ATOM 0 HA TYR A 96 13.383 -4.976 -9.316 1.00 0.00 H new ATOM 0 HB2 TYR A 96 14.326 -4.605 -11.429 1.00 0.00 H new ATOM 0 HB3 TYR A 96 13.124 -5.839 -11.748 1.00 0.00 H new ATOM 0 HD1 TYR A 96 13.814 -2.188 -11.968 1.00 0.00 H new ATOM 0 HD2 TYR A 96 11.210 -5.396 -13.140 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.733 -0.701 -13.631 1.00 0.00 H new ATOM 0 HE2 TYR A 96 10.124 -3.909 -14.799 1.00 0.00 H new ATOM 0 HH TYR A 96 10.050 -1.875 -15.717 1.00 0.00 H new ATOM 1547 N VAL A 97 13.242 -2.478 -8.978 1.00 0.00 N ATOM 1548 CA VAL A 97 13.016 -1.029 -8.677 1.00 0.00 C ATOM 1549 C VAL A 97 13.729 -0.166 -9.712 1.00 0.00 C ATOM 1550 O VAL A 97 14.575 -0.629 -10.448 1.00 0.00 O ATOM 1551 CB VAL A 97 13.549 -0.660 -7.281 1.00 0.00 C ATOM 1552 CG1 VAL A 97 12.375 -0.460 -6.325 1.00 0.00 C ATOM 1553 CG2 VAL A 97 14.456 -1.762 -6.729 1.00 0.00 C ATOM 0 H VAL A 97 14.054 -2.899 -8.526 1.00 0.00 H new ATOM 0 HA VAL A 97 11.941 -0.849 -8.707 1.00 0.00 H new ATOM 0 HB VAL A 97 14.128 0.259 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 97 12.752 -0.199 -5.336 1.00 0.00 H new ATOM 0 HG12 VAL A 97 11.738 0.343 -6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 97 11.797 -1.382 -6.261 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.818 -1.475 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 97 13.893 -2.692 -6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 97 15.304 -1.905 -7.399 1.00 0.00 H new ATOM 1563 N SER A 98 13.383 1.089 -9.776 1.00 0.00 N ATOM 1564 CA SER A 98 14.033 1.997 -10.759 1.00 0.00 C ATOM 1565 C SER A 98 14.043 3.428 -10.206 1.00 0.00 C ATOM 1566 O SER A 98 13.011 3.991 -9.900 1.00 0.00 O ATOM 1567 CB SER A 98 13.258 1.951 -12.075 1.00 0.00 C ATOM 1568 OG SER A 98 14.012 1.225 -13.038 1.00 0.00 O ATOM 0 H SER A 98 12.675 1.526 -9.187 1.00 0.00 H new ATOM 0 HA SER A 98 15.060 1.677 -10.934 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.288 1.477 -11.923 1.00 0.00 H new ATOM 0 HB3 SER A 98 13.066 2.962 -12.433 1.00 0.00 H new ATOM 0 HG SER A 98 14.925 1.579 -13.074 1.00 0.00 H new ATOM 1574 N SER A 99 15.205 4.013 -10.076 1.00 0.00 N ATOM 1575 CA SER A 99 15.308 5.404 -9.544 1.00 0.00 C ATOM 1576 C SER A 99 14.755 6.391 -10.581 1.00 0.00 C ATOM 1577 O SER A 99 15.490 6.995 -11.334 1.00 0.00 O ATOM 1578 CB SER A 99 16.782 5.717 -9.262 1.00 0.00 C ATOM 1579 OG SER A 99 17.415 6.175 -10.449 1.00 0.00 O ATOM 0 H SER A 99 16.097 3.581 -10.319 1.00 0.00 H new ATOM 0 HA SER A 99 14.731 5.496 -8.624 1.00 0.00 H new ATOM 0 HB2 SER A 99 16.859 6.475 -8.483 1.00 0.00 H new ATOM 0 HB3 SER A 99 17.287 4.826 -8.891 1.00 0.00 H new ATOM 0 HG SER A 99 16.795 6.091 -11.203 1.00 0.00 H new ATOM 1585 N GLU A 100 13.464 6.561 -10.633 1.00 0.00 N ATOM 1586 CA GLU A 100 12.885 7.508 -11.628 1.00 0.00 C ATOM 1587 C GLU A 100 12.223 8.677 -10.896 1.00 0.00 C ATOM 1588 O GLU A 100 11.455 8.490 -9.974 1.00 0.00 O ATOM 1589 CB GLU A 100 11.841 6.781 -12.477 1.00 0.00 C ATOM 1590 CG GLU A 100 11.186 7.772 -13.441 1.00 0.00 C ATOM 1591 CD GLU A 100 9.685 7.846 -13.154 1.00 0.00 C ATOM 1592 OE1 GLU A 100 8.954 7.048 -13.716 1.00 0.00 O ATOM 1593 OE2 GLU A 100 9.293 8.701 -12.377 1.00 0.00 O ATOM 0 H GLU A 100 12.787 6.089 -10.034 1.00 0.00 H new ATOM 0 HA GLU A 100 13.678 7.886 -12.273 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.311 5.971 -13.035 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.085 6.329 -11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.638 8.758 -13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.355 7.459 -14.471 1.00 0.00 H new ATOM 1600 N LYS A 101 12.515 9.883 -11.300 1.00 0.00 N ATOM 1601 CA LYS A 101 11.903 11.061 -10.628 1.00 0.00 C ATOM 1602 C LYS A 101 10.979 11.795 -11.599 1.00 0.00 C ATOM 1603 O LYS A 101 11.349 12.097 -12.715 1.00 0.00 O ATOM 1604 CB LYS A 101 12.994 12.002 -10.153 1.00 0.00 C ATOM 1605 CG LYS A 101 12.874 12.121 -8.639 1.00 0.00 C ATOM 1606 CD LYS A 101 13.102 13.568 -8.223 1.00 0.00 C ATOM 1607 CE LYS A 101 14.412 13.681 -7.444 1.00 0.00 C ATOM 1608 NZ LYS A 101 15.214 14.817 -7.980 1.00 0.00 N ATOM 0 H LYS A 101 13.151 10.102 -12.067 1.00 0.00 H new ATOM 0 HA LYS A 101 11.321 10.719 -9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 101 13.976 11.620 -10.430 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.888 12.980 -10.623 1.00 0.00 H new ATOM 0 HG2 LYS A 101 11.888 11.789 -8.315 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.604 11.473 -8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.136 14.209 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.271 13.915 -7.608 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.205 13.836 -6.385 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.977 12.753 -7.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.105 14.893 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.422 14.651 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.675 15.701 -7.880 1.00 0.00 H new ATOM 1622 N ASP A 102 9.777 12.086 -11.182 1.00 0.00 N ATOM 1623 CA ASP A 102 8.831 12.801 -12.081 1.00 0.00 C ATOM 1624 C ASP A 102 8.457 11.895 -13.249 1.00 0.00 C ATOM 1625 O ASP A 102 7.478 11.176 -13.210 1.00 0.00 O ATOM 1626 CB ASP A 102 9.497 14.072 -12.612 1.00 0.00 C ATOM 1627 CG ASP A 102 8.906 15.292 -11.902 1.00 0.00 C ATOM 1628 OD1 ASP A 102 8.799 15.251 -10.688 1.00 0.00 O ATOM 1629 OD2 ASP A 102 8.572 16.246 -12.585 1.00 0.00 O ATOM 0 H ASP A 102 9.410 11.859 -10.258 1.00 0.00 H new ATOM 0 HA ASP A 102 7.931 13.067 -11.526 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.573 14.028 -12.447 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.343 14.154 -13.688 1.00 0.00 H new ATOM 1634 N GLY A 103 9.232 11.931 -14.287 1.00 0.00 N ATOM 1635 CA GLY A 103 8.939 11.078 -15.475 1.00 0.00 C ATOM 1636 C GLY A 103 10.132 11.106 -16.432 1.00 0.00 C ATOM 1637 O GLY A 103 9.982 10.975 -17.630 1.00 0.00 O ATOM 0 H GLY A 103 10.063 12.517 -14.370 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.737 10.054 -15.160 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.044 11.438 -15.982 1.00 0.00 H new ATOM 1641 N LYS A 104 11.318 11.277 -15.914 1.00 0.00 N ATOM 1642 CA LYS A 104 12.518 11.312 -16.795 1.00 0.00 C ATOM 1643 C LYS A 104 13.218 9.952 -16.759 1.00 0.00 C ATOM 1644 O LYS A 104 14.131 9.693 -17.519 1.00 0.00 O ATOM 1645 CB LYS A 104 13.480 12.395 -16.303 1.00 0.00 C ATOM 1646 CG LYS A 104 14.088 11.968 -14.964 1.00 0.00 C ATOM 1647 CD LYS A 104 15.178 12.961 -14.559 1.00 0.00 C ATOM 1648 CE LYS A 104 15.177 13.128 -13.038 1.00 0.00 C ATOM 1649 NZ LYS A 104 16.296 14.024 -12.634 1.00 0.00 N ATOM 0 H LYS A 104 11.507 11.394 -14.918 1.00 0.00 H new ATOM 0 HA LYS A 104 12.212 11.535 -17.817 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.269 12.557 -17.038 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.951 13.341 -16.189 1.00 0.00 H new ATOM 0 HG2 LYS A 104 13.314 11.928 -14.197 1.00 0.00 H new ATOM 0 HG3 LYS A 104 14.507 10.965 -15.046 1.00 0.00 H new ATOM 0 HD2 LYS A 104 16.152 12.606 -14.896 1.00 0.00 H new ATOM 0 HD3 LYS A 104 15.006 13.923 -15.041 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.226 13.546 -12.708 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.283 12.157 -12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.294 14.137 -11.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 17.200 13.608 -12.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 16.176 14.954 -13.084 1.00 0.00 H new ATOM 1663 N ALA A 105 12.800 9.082 -15.881 1.00 0.00 N ATOM 1664 CA ALA A 105 13.443 7.741 -15.797 1.00 0.00 C ATOM 1665 C ALA A 105 14.964 7.901 -15.846 1.00 0.00 C ATOM 1666 O ALA A 105 15.565 7.902 -16.902 1.00 0.00 O ATOM 1667 CB ALA A 105 12.982 6.878 -16.972 1.00 0.00 C ATOM 0 H ALA A 105 12.041 9.242 -15.218 1.00 0.00 H new ATOM 0 HA ALA A 105 13.158 7.260 -14.861 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.453 5.897 -16.910 1.00 0.00 H new ATOM 0 HB2 ALA A 105 11.899 6.763 -16.936 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.265 7.358 -17.909 1.00 0.00 H new ATOM 1673 N THR A 106 15.590 8.038 -14.710 1.00 0.00 N ATOM 1674 CA THR A 106 17.070 8.200 -14.687 1.00 0.00 C ATOM 1675 C THR A 106 17.728 6.997 -15.367 1.00 0.00 C ATOM 1676 O THR A 106 18.741 7.121 -16.027 1.00 0.00 O ATOM 1677 CB THR A 106 17.547 8.286 -13.235 1.00 0.00 C ATOM 1678 OG1 THR A 106 17.426 7.011 -12.623 1.00 0.00 O ATOM 1679 CG2 THR A 106 16.697 9.305 -12.474 1.00 0.00 C ATOM 0 H THR A 106 15.139 8.045 -13.795 1.00 0.00 H new ATOM 0 HA THR A 106 17.344 9.111 -15.218 1.00 0.00 H new ATOM 0 HB THR A 106 18.590 8.602 -13.213 1.00 0.00 H new ATOM 0 HG1 THR A 106 17.788 7.049 -11.713 1.00 0.00 H new ATOM 0 HG21 THR A 106 17.039 9.364 -11.441 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.794 10.283 -12.945 1.00 0.00 H new ATOM 0 HG23 THR A 106 15.652 8.994 -12.494 1.00 0.00 H new ATOM 1687 N GLY A 107 17.163 5.832 -15.205 1.00 0.00 N ATOM 1688 CA GLY A 107 17.757 4.619 -15.834 1.00 0.00 C ATOM 1689 C GLY A 107 18.063 3.592 -14.745 1.00 0.00 C ATOM 1690 O GLY A 107 17.912 2.402 -14.935 1.00 0.00 O ATOM 0 H GLY A 107 16.314 5.668 -14.663 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.067 4.198 -16.565 1.00 0.00 H new ATOM 0 HA3 GLY A 107 18.669 4.881 -16.371 1.00 0.00 H new ATOM 1694 N TRP A 108 18.488 4.050 -13.599 1.00 0.00 N ATOM 1695 CA TRP A 108 18.799 3.111 -12.487 1.00 0.00 C ATOM 1696 C TRP A 108 17.652 2.113 -12.331 1.00 0.00 C ATOM 1697 O TRP A 108 16.502 2.490 -12.212 1.00 0.00 O ATOM 1698 CB TRP A 108 18.961 3.908 -11.191 1.00 0.00 C ATOM 1699 CG TRP A 108 19.625 3.065 -10.149 1.00 0.00 C ATOM 1700 CD1 TRP A 108 20.954 3.048 -9.896 1.00 0.00 C ATOM 1701 CD2 TRP A 108 19.018 2.127 -9.213 1.00 0.00 C ATOM 1702 NE1 TRP A 108 21.202 2.163 -8.862 1.00 0.00 N ATOM 1703 CE2 TRP A 108 20.040 1.570 -8.408 1.00 0.00 C ATOM 1704 CE3 TRP A 108 17.695 1.709 -8.985 1.00 0.00 C ATOM 1705 CZ2 TRP A 108 19.757 0.634 -7.413 1.00 0.00 C ATOM 1706 CZ3 TRP A 108 17.408 0.767 -7.984 1.00 0.00 C ATOM 1707 CH2 TRP A 108 18.437 0.232 -7.200 1.00 0.00 C ATOM 0 H TRP A 108 18.633 5.037 -13.386 1.00 0.00 H new ATOM 0 HA TRP A 108 19.721 2.572 -12.705 1.00 0.00 H new ATOM 0 HB2 TRP A 108 19.554 4.804 -11.377 1.00 0.00 H new ATOM 0 HB3 TRP A 108 17.986 4.240 -10.834 1.00 0.00 H new ATOM 0 HD1 TRP A 108 21.700 3.630 -10.416 1.00 0.00 H new ATOM 0 HE1 TRP A 108 22.129 1.972 -8.482 1.00 0.00 H new ATOM 0 HE3 TRP A 108 16.894 2.115 -9.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 20.554 0.223 -6.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 16.388 0.454 -7.818 1.00 0.00 H new ATOM 0 HH2 TRP A 108 18.210 -0.491 -6.431 1.00 0.00 H new ATOM 1718 N SER A 109 17.949 0.844 -12.331 1.00 0.00 N ATOM 1719 CA SER A 109 16.869 -0.171 -12.186 1.00 0.00 C ATOM 1720 C SER A 109 17.416 -1.399 -11.449 1.00 0.00 C ATOM 1721 O SER A 109 18.135 -2.200 -12.012 1.00 0.00 O ATOM 1722 CB SER A 109 16.376 -0.589 -13.572 1.00 0.00 C ATOM 1723 OG SER A 109 17.455 -1.159 -14.301 1.00 0.00 O ATOM 0 H SER A 109 18.892 0.466 -12.425 1.00 0.00 H new ATOM 0 HA SER A 109 16.043 0.256 -11.617 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.563 -1.309 -13.480 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.978 0.274 -14.105 1.00 0.00 H new ATOM 0 HG SER A 109 18.120 -1.516 -13.676 1.00 0.00 H new ATOM 1729 N ALA A 110 17.084 -1.555 -10.195 1.00 0.00 N ATOM 1730 CA ALA A 110 17.588 -2.732 -9.432 1.00 0.00 C ATOM 1731 C ALA A 110 16.613 -3.900 -9.587 1.00 0.00 C ATOM 1732 O ALA A 110 15.454 -3.715 -9.899 1.00 0.00 O ATOM 1733 CB ALA A 110 17.707 -2.367 -7.950 1.00 0.00 C ATOM 0 H ALA A 110 16.486 -0.919 -9.667 1.00 0.00 H new ATOM 0 HA ALA A 110 18.566 -3.020 -9.818 1.00 0.00 H new ATOM 0 HB1 ALA A 110 18.076 -3.228 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 110 18.402 -1.535 -7.835 1.00 0.00 H new ATOM 0 HB3 ALA A 110 16.728 -2.078 -7.567 1.00 0.00 H new ATOM 1739 N PHE A 111 17.076 -5.101 -9.376 1.00 0.00 N ATOM 1740 CA PHE A 111 16.177 -6.284 -9.516 1.00 0.00 C ATOM 1741 C PHE A 111 16.196 -7.108 -8.230 1.00 0.00 C ATOM 1742 O PHE A 111 17.235 -7.362 -7.658 1.00 0.00 O ATOM 1743 CB PHE A 111 16.654 -7.159 -10.678 1.00 0.00 C ATOM 1744 CG PHE A 111 16.880 -6.306 -11.900 1.00 0.00 C ATOM 1745 CD1 PHE A 111 18.015 -5.492 -11.981 1.00 0.00 C ATOM 1746 CD2 PHE A 111 15.959 -6.332 -12.953 1.00 0.00 C ATOM 1747 CE1 PHE A 111 18.229 -4.703 -13.116 1.00 0.00 C ATOM 1748 CE2 PHE A 111 16.174 -5.544 -14.089 1.00 0.00 C ATOM 1749 CZ PHE A 111 17.309 -4.729 -14.169 1.00 0.00 C ATOM 0 H PHE A 111 18.038 -5.316 -9.113 1.00 0.00 H new ATOM 0 HA PHE A 111 15.163 -5.935 -9.709 1.00 0.00 H new ATOM 0 HB2 PHE A 111 17.577 -7.671 -10.405 1.00 0.00 H new ATOM 0 HB3 PHE A 111 15.914 -7.930 -10.893 1.00 0.00 H new ATOM 0 HD1 PHE A 111 18.725 -5.473 -11.168 1.00 0.00 H new ATOM 0 HD2 PHE A 111 15.083 -6.960 -12.889 1.00 0.00 H new ATOM 0 HE1 PHE A 111 19.105 -4.074 -13.179 1.00 0.00 H new ATOM 0 HE2 PHE A 111 15.465 -5.565 -14.903 1.00 0.00 H new ATOM 0 HZ PHE A 111 17.475 -4.119 -15.045 1.00 0.00 H new ATOM 1759 N TYR A 112 15.054 -7.538 -7.774 1.00 0.00 N ATOM 1760 CA TYR A 112 15.010 -8.352 -6.530 1.00 0.00 C ATOM 1761 C TYR A 112 15.187 -9.829 -6.883 1.00 0.00 C ATOM 1762 O TYR A 112 14.275 -10.474 -7.359 1.00 0.00 O ATOM 1763 CB TYR A 112 13.658 -8.156 -5.842 1.00 0.00 C ATOM 1764 CG TYR A 112 13.733 -8.669 -4.425 1.00 0.00 C ATOM 1765 CD1 TYR A 112 14.841 -8.364 -3.626 1.00 0.00 C ATOM 1766 CD2 TYR A 112 12.691 -9.451 -3.910 1.00 0.00 C ATOM 1767 CE1 TYR A 112 14.908 -8.839 -2.312 1.00 0.00 C ATOM 1768 CE2 TYR A 112 12.759 -9.925 -2.595 1.00 0.00 C ATOM 1769 CZ TYR A 112 13.866 -9.620 -1.796 1.00 0.00 C ATOM 1770 OH TYR A 112 13.933 -10.087 -0.500 1.00 0.00 O ATOM 0 H TYR A 112 14.149 -7.361 -8.210 1.00 0.00 H new ATOM 0 HA TYR A 112 15.811 -8.037 -5.861 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.387 -7.100 -5.844 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.879 -8.686 -6.391 1.00 0.00 H new ATOM 0 HD1 TYR A 112 15.644 -7.762 -4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.837 -9.688 -4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.763 -8.604 -1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.956 -10.527 -2.197 1.00 0.00 H new ATOM 0 HH TYR A 112 13.115 -10.584 -0.289 1.00 0.00 H new ATOM 1780 N VAL A 113 16.349 -10.377 -6.645 1.00 0.00 N ATOM 1781 CA VAL A 113 16.561 -11.811 -6.960 1.00 0.00 C ATOM 1782 C VAL A 113 16.182 -12.631 -5.727 1.00 0.00 C ATOM 1783 O VAL A 113 15.269 -12.286 -5.014 1.00 0.00 O ATOM 1784 CB VAL A 113 18.028 -12.050 -7.335 1.00 0.00 C ATOM 1785 CG1 VAL A 113 18.134 -13.319 -8.185 1.00 0.00 C ATOM 1786 CG2 VAL A 113 18.553 -10.862 -8.147 1.00 0.00 C ATOM 0 H VAL A 113 17.154 -9.893 -6.248 1.00 0.00 H new ATOM 0 HA VAL A 113 15.942 -12.111 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 113 18.618 -12.161 -6.425 1.00 0.00 H new ATOM 0 HG11 VAL A 113 19.176 -13.491 -8.453 1.00 0.00 H new ATOM 0 HG12 VAL A 113 17.760 -14.170 -7.616 1.00 0.00 H new ATOM 0 HG13 VAL A 113 17.541 -13.200 -9.092 1.00 0.00 H new ATOM 0 HG21 VAL A 113 19.596 -11.035 -8.412 1.00 0.00 H new ATOM 0 HG22 VAL A 113 17.961 -10.752 -9.056 1.00 0.00 H new ATOM 0 HG23 VAL A 113 18.476 -9.952 -7.552 1.00 0.00 H new ATOM 1796 N ASP A 114 16.888 -13.686 -5.442 1.00 0.00 N ATOM 1797 CA ASP A 114 16.553 -14.493 -4.234 1.00 0.00 C ATOM 1798 C ASP A 114 16.899 -13.643 -3.032 1.00 0.00 C ATOM 1799 O ASP A 114 18.004 -13.688 -2.531 1.00 0.00 O ATOM 1800 CB ASP A 114 17.383 -15.779 -4.218 1.00 0.00 C ATOM 1801 CG ASP A 114 16.478 -16.965 -3.871 1.00 0.00 C ATOM 1802 OD1 ASP A 114 15.498 -17.159 -4.570 1.00 0.00 O ATOM 1803 OD2 ASP A 114 16.783 -17.657 -2.914 1.00 0.00 O ATOM 0 H ASP A 114 17.679 -14.025 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 114 15.499 -14.772 -4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.849 -15.936 -5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 114 18.188 -15.696 -3.488 1.00 0.00 H new ATOM 1808 N GLY A 115 15.992 -12.805 -2.601 1.00 0.00 N ATOM 1809 CA GLY A 115 16.334 -11.896 -1.482 1.00 0.00 C ATOM 1810 C GLY A 115 17.660 -11.256 -1.876 1.00 0.00 C ATOM 1811 O GLY A 115 18.475 -10.900 -1.047 1.00 0.00 O ATOM 0 H GLY A 115 15.046 -12.715 -2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.561 -11.142 -1.337 1.00 0.00 H new ATOM 0 HA3 GLY A 115 16.425 -12.444 -0.544 1.00 0.00 H new ATOM 1815 N LYS A 116 17.894 -11.164 -3.168 1.00 0.00 N ATOM 1816 CA LYS A 116 19.186 -10.612 -3.652 1.00 0.00 C ATOM 1817 C LYS A 116 18.975 -9.406 -4.571 1.00 0.00 C ATOM 1818 O LYS A 116 19.241 -9.476 -5.753 1.00 0.00 O ATOM 1819 CB LYS A 116 19.929 -11.700 -4.430 1.00 0.00 C ATOM 1820 CG LYS A 116 21.170 -12.131 -3.645 1.00 0.00 C ATOM 1821 CD LYS A 116 20.745 -12.706 -2.293 1.00 0.00 C ATOM 1822 CE LYS A 116 21.637 -12.133 -1.191 1.00 0.00 C ATOM 1823 NZ LYS A 116 20.973 -12.312 0.131 1.00 0.00 N ATOM 0 H LYS A 116 17.242 -11.449 -3.899 1.00 0.00 H new ATOM 0 HA LYS A 116 19.763 -10.286 -2.786 1.00 0.00 H new ATOM 0 HB2 LYS A 116 19.274 -12.556 -4.595 1.00 0.00 H new ATOM 0 HB3 LYS A 116 20.218 -11.326 -5.412 1.00 0.00 H new ATOM 0 HG2 LYS A 116 21.729 -12.877 -4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 116 21.834 -11.279 -3.497 1.00 0.00 H new ATOM 0 HD2 LYS A 116 19.701 -12.462 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 116 20.821 -13.793 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 116 22.605 -12.635 -1.194 1.00 0.00 H new ATOM 0 HE3 LYS A 116 21.826 -11.075 -1.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 21.530 -11.833 0.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 20.018 -11.902 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 20.907 -13.326 0.352 1.00 0.00 H new ATOM 1837 N TRP A 117 18.529 -8.293 -4.052 1.00 0.00 N ATOM 1838 CA TRP A 117 18.349 -7.106 -4.934 1.00 0.00 C ATOM 1839 C TRP A 117 19.611 -6.937 -5.786 1.00 0.00 C ATOM 1840 O TRP A 117 20.663 -7.445 -5.454 1.00 0.00 O ATOM 1841 CB TRP A 117 18.145 -5.854 -4.081 1.00 0.00 C ATOM 1842 CG TRP A 117 16.692 -5.684 -3.785 1.00 0.00 C ATOM 1843 CD1 TRP A 117 16.135 -5.791 -2.558 1.00 0.00 C ATOM 1844 CD2 TRP A 117 15.602 -5.376 -4.704 1.00 0.00 C ATOM 1845 NE1 TRP A 117 14.775 -5.575 -2.662 1.00 0.00 N ATOM 1846 CE2 TRP A 117 14.397 -5.311 -3.964 1.00 0.00 C ATOM 1847 CE3 TRP A 117 15.539 -5.150 -6.093 1.00 0.00 C ATOM 1848 CZ2 TRP A 117 13.175 -5.030 -4.578 1.00 0.00 C ATOM 1849 CZ3 TRP A 117 14.314 -4.867 -6.711 1.00 0.00 C ATOM 1850 CH2 TRP A 117 13.134 -4.806 -5.956 1.00 0.00 C ATOM 0 H TRP A 117 18.285 -8.156 -3.071 1.00 0.00 H new ATOM 0 HA TRP A 117 17.477 -7.248 -5.572 1.00 0.00 H new ATOM 0 HB2 TRP A 117 18.709 -5.938 -3.152 1.00 0.00 H new ATOM 0 HB3 TRP A 117 18.525 -4.978 -4.606 1.00 0.00 H new ATOM 0 HD1 TRP A 117 16.667 -6.010 -1.644 1.00 0.00 H new ATOM 0 HE1 TRP A 117 14.129 -5.607 -1.874 1.00 0.00 H new ATOM 0 HE3 TRP A 117 16.441 -5.195 -6.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 117 12.269 -4.986 -3.992 1.00 0.00 H new ATOM 0 HZ3 TRP A 117 14.278 -4.695 -7.777 1.00 0.00 H new ATOM 0 HH2 TRP A 117 12.194 -4.586 -6.440 1.00 0.00 H new ATOM 1861 N VAL A 118 19.519 -6.239 -6.882 1.00 0.00 N ATOM 1862 CA VAL A 118 20.721 -6.056 -7.747 1.00 0.00 C ATOM 1863 C VAL A 118 20.627 -4.715 -8.478 1.00 0.00 C ATOM 1864 O VAL A 118 19.703 -3.953 -8.281 1.00 0.00 O ATOM 1865 CB VAL A 118 20.800 -7.194 -8.773 1.00 0.00 C ATOM 1866 CG1 VAL A 118 21.673 -8.319 -8.227 1.00 0.00 C ATOM 1867 CG2 VAL A 118 19.403 -7.745 -9.045 1.00 0.00 C ATOM 0 H VAL A 118 18.668 -5.788 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 118 21.616 -6.069 -7.125 1.00 0.00 H new ATOM 0 HB VAL A 118 21.229 -6.805 -9.697 1.00 0.00 H new ATOM 0 HG11 VAL A 118 21.727 -9.125 -8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 118 22.676 -7.939 -8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 118 21.241 -8.698 -7.301 1.00 0.00 H new ATOM 0 HG21 VAL A 118 19.466 -8.553 -9.774 1.00 0.00 H new ATOM 0 HG22 VAL A 118 18.975 -8.126 -8.118 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.769 -6.950 -9.438 1.00 0.00 H new ATOM 1877 N GLU A 119 21.579 -4.424 -9.321 1.00 0.00 N ATOM 1878 CA GLU A 119 21.547 -3.135 -10.067 1.00 0.00 C ATOM 1879 C GLU A 119 21.919 -3.384 -11.530 1.00 0.00 C ATOM 1880 O GLU A 119 22.996 -3.858 -11.833 1.00 0.00 O ATOM 1881 CB GLU A 119 22.549 -2.160 -9.445 1.00 0.00 C ATOM 1882 CG GLU A 119 21.971 -1.593 -8.146 1.00 0.00 C ATOM 1883 CD GLU A 119 23.104 -1.342 -7.149 1.00 0.00 C ATOM 1884 OE1 GLU A 119 23.997 -0.580 -7.477 1.00 0.00 O ATOM 1885 OE2 GLU A 119 23.057 -1.916 -6.073 1.00 0.00 O ATOM 0 H GLU A 119 22.378 -5.024 -9.525 1.00 0.00 H new ATOM 0 HA GLU A 119 20.545 -2.709 -10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 119 23.491 -2.669 -9.244 1.00 0.00 H new ATOM 0 HB3 GLU A 119 22.766 -1.351 -10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 119 21.438 -0.664 -8.348 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.248 -2.290 -7.723 1.00 0.00 H new ATOM 1892 N GLY A 120 21.038 -3.070 -12.439 1.00 0.00 N ATOM 1893 CA GLY A 120 21.343 -3.291 -13.880 1.00 0.00 C ATOM 1894 C GLY A 120 21.935 -2.014 -14.481 1.00 0.00 C ATOM 1895 O GLY A 120 22.900 -2.055 -15.218 1.00 0.00 O ATOM 0 H GLY A 120 20.120 -2.670 -12.246 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.046 -4.117 -13.991 1.00 0.00 H new ATOM 0 HA3 GLY A 120 20.436 -3.570 -14.416 1.00 0.00 H new