USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 725 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 21 TYR OH : rot -147:sc= 1.22 USER MOD Set 1.2: A 63 GLN : amide:sc= -0.324 K(o=-4.5,f=-9.1!) USER MOD Set 1.3: A 85 HIS :FLIP no HE2:sc= -5.37! C(o=-6.9!,f=-4.5!) USER MOD Single : A 18 SER OG : rot -165:sc= -2.37! USER MOD Single : A 19 CYS SG : rot 180:sc= -1.64 USER MOD Single : A 20 CYS SG : rot -65:sc= 0.951 USER MOD Single : A 23 SER OG : rot -16:sc= -0.542 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 40 THR OG1 : rot 79:sc= 1.26 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.4!) USER MOD Single : A 44 HIS : no HD1:sc= 0.373 K(o=0.37,f=-1.5) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 49 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.65) USER MOD Single : A 51 THR OG1 : rot 121:sc= -2.23! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0583 K(o=-0.058,f=-1.4!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.0368 F(o=-2.1,f=-0.037) USER MOD Single : A 76 MET CE :methyl 149:sc= -2.4! (180deg=-4.73!) USER MOD Single : A 77 SER OG : rot 64:sc= 1.24 USER MOD Single : A 78 HIS : no HD1:sc= 1.09 K(o=1.1,f=-4.8!) USER MOD Single : A 80 GLN :FLIP amide:sc= -3.12! C(o=-7.6!,f=-3.1!) USER MOD Single : A 86 SER OG : rot -170:sc= -0.184 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ -113:sc= 0.354 (180deg=0) USER MOD Single : A 105 HIS : no HE2:sc= 0.0999 K(o=0.1,f=-1.6) USER MOD Single : A 106 MET CE :methyl -127:sc= -0.205 (180deg=-0.21) USER MOD Single : A 107 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 138 N ASP A 15 6.896 18.854 -6.326 1.00 10.00 N ATOM 139 CA ASP A 15 7.485 18.043 -5.358 1.00 10.00 C ATOM 140 C ASP A 15 6.614 16.905 -4.949 1.00 10.00 C ATOM 141 O ASP A 15 6.162 16.814 -3.818 1.00 10.00 O ATOM 142 CB ASP A 15 7.877 18.865 -4.174 1.00 10.00 C ATOM 143 CG ASP A 15 6.855 19.929 -3.761 1.00 10.00 C ATOM 144 OD1 ASP A 15 5.937 19.640 -2.990 1.00 10.00 O ATOM 145 OD2 ASP A 15 7.001 21.101 -4.191 1.00 10.00 O ATOM 0 HA ASP A 15 8.376 17.602 -5.804 1.00 10.00 H new ATOM 0 HB2 ASP A 15 8.048 18.199 -3.328 1.00 10.00 H new ATOM 0 HB3 ASP A 15 8.825 19.357 -4.390 1.00 10.00 H new ATOM 150 N LEU A 16 6.357 16.065 -5.868 1.00 10.00 N ATOM 151 CA LEU A 16 5.658 14.879 -5.624 1.00 10.00 C ATOM 152 C LEU A 16 6.536 13.740 -5.958 1.00 10.00 C ATOM 153 O LEU A 16 7.457 13.866 -6.752 1.00 10.00 O ATOM 154 CB LEU A 16 4.334 14.809 -6.368 1.00 10.00 C ATOM 155 CG LEU A 16 3.308 15.914 -6.113 1.00 10.00 C ATOM 156 CD1 LEU A 16 3.084 16.203 -4.643 1.00 10.00 C ATOM 157 CD2 LEU A 16 3.576 17.156 -6.937 1.00 10.00 C ATOM 0 H LEU A 16 6.637 16.190 -6.841 1.00 10.00 H new ATOM 0 HA LEU A 16 5.392 14.842 -4.567 1.00 10.00 H new ATOM 0 HB2 LEU A 16 4.551 14.795 -7.436 1.00 10.00 H new ATOM 0 HB3 LEU A 16 3.865 13.855 -6.126 1.00 10.00 H new ATOM 0 HG LEU A 16 2.355 15.521 -6.467 1.00 10.00 H new ATOM 0 HD11 LEU A 16 2.345 16.997 -4.537 1.00 10.00 H new ATOM 0 HD12 LEU A 16 2.724 15.302 -4.146 1.00 10.00 H new ATOM 0 HD13 LEU A 16 4.023 16.518 -4.187 1.00 10.00 H new ATOM 0 HD21 LEU A 16 2.819 17.909 -6.718 1.00 10.00 H new ATOM 0 HD22 LEU A 16 4.562 17.551 -6.690 1.00 10.00 H new ATOM 0 HD23 LEU A 16 3.541 16.904 -7.997 1.00 10.00 H new ATOM 169 N VAL A 17 6.256 12.649 -5.362 1.00 10.00 N ATOM 170 CA VAL A 17 7.007 11.484 -5.453 1.00 10.00 C ATOM 171 C VAL A 17 6.057 10.281 -5.284 1.00 10.00 C ATOM 172 O VAL A 17 5.010 10.402 -4.647 1.00 10.00 O ATOM 173 CB VAL A 17 8.141 11.458 -4.367 1.00 10.00 C ATOM 174 CG1 VAL A 17 8.657 10.087 -4.169 1.00 10.00 C ATOM 175 CG2 VAL A 17 9.302 12.380 -4.713 1.00 10.00 C ATOM 0 H VAL A 17 5.439 12.550 -4.759 1.00 10.00 H new ATOM 0 HA VAL A 17 7.495 11.437 -6.426 1.00 10.00 H new ATOM 0 HB VAL A 17 7.683 11.817 -3.445 1.00 10.00 H new ATOM 0 HG11 VAL A 17 9.441 10.099 -3.412 1.00 10.00 H new ATOM 0 HG12 VAL A 17 7.846 9.437 -3.841 1.00 10.00 H new ATOM 0 HG13 VAL A 17 9.065 9.713 -5.108 1.00 10.00 H new ATOM 0 HG21 VAL A 17 10.057 12.324 -3.929 1.00 10.00 H new ATOM 0 HG22 VAL A 17 9.740 12.073 -5.662 1.00 10.00 H new ATOM 0 HG23 VAL A 17 8.941 13.405 -4.795 1.00 10.00 H new ATOM 185 N SER A 18 6.404 9.194 -5.893 1.00 10.00 N ATOM 186 CA SER A 18 5.701 7.948 -5.774 1.00 10.00 C ATOM 187 C SER A 18 6.662 6.853 -5.374 1.00 10.00 C ATOM 188 O SER A 18 7.615 6.554 -6.099 1.00 10.00 O ATOM 189 CB SER A 18 5.011 7.548 -7.081 1.00 10.00 C ATOM 190 OG SER A 18 4.005 8.456 -7.433 1.00 10.00 O ATOM 0 H SER A 18 7.214 9.143 -6.511 1.00 10.00 H new ATOM 0 HA SER A 18 4.934 8.082 -5.011 1.00 10.00 H new ATOM 0 HB2 SER A 18 5.749 7.494 -7.881 1.00 10.00 H new ATOM 0 HB3 SER A 18 4.582 6.552 -6.976 1.00 10.00 H new ATOM 0 HG SER A 18 3.434 8.060 -8.123 1.00 10.00 H new ATOM 196 N CYS A 19 6.463 6.313 -4.219 1.00 10.00 N ATOM 197 CA CYS A 19 7.189 5.153 -3.817 1.00 10.00 C ATOM 198 C CYS A 19 6.314 3.973 -4.153 1.00 10.00 C ATOM 199 O CYS A 19 5.197 3.863 -3.637 1.00 10.00 O ATOM 200 CB CYS A 19 7.526 5.199 -2.328 1.00 10.00 C ATOM 201 SG CYS A 19 8.606 6.573 -1.859 1.00 10.00 S ATOM 0 H CYS A 19 5.796 6.660 -3.529 1.00 10.00 H new ATOM 0 HA CYS A 19 8.146 5.087 -4.335 1.00 10.00 H new ATOM 0 HB2 CYS A 19 6.599 5.268 -1.758 1.00 10.00 H new ATOM 0 HB3 CYS A 19 8.005 4.261 -2.045 1.00 10.00 H new ATOM 0 HG CYS A 19 8.833 6.529 -0.580 1.00 10.00 H new ATOM 207 N CYS A 20 6.787 3.129 -5.027 1.00 10.00 N ATOM 208 CA CYS A 20 5.999 2.030 -5.523 1.00 10.00 C ATOM 209 C CYS A 20 6.624 0.787 -5.002 1.00 10.00 C ATOM 210 O CYS A 20 7.640 0.379 -5.524 1.00 10.00 O ATOM 211 CB CYS A 20 6.038 2.046 -7.068 1.00 10.00 C ATOM 212 SG CYS A 20 5.523 3.625 -7.810 1.00 10.00 S ATOM 0 H CYS A 20 7.728 3.181 -5.417 1.00 10.00 H new ATOM 0 HA CYS A 20 4.959 2.096 -5.204 1.00 10.00 H new ATOM 0 HB2 CYS A 20 7.051 1.816 -7.397 1.00 10.00 H new ATOM 0 HB3 CYS A 20 5.393 1.253 -7.445 1.00 10.00 H new ATOM 0 HG CYS A 20 4.268 3.839 -7.547 1.00 10.00 H new ATOM 218 N TYR A 21 6.014 0.148 -4.020 1.00 10.00 N ATOM 219 CA TYR A 21 6.737 -0.861 -3.309 1.00 10.00 C ATOM 220 C TYR A 21 6.180 -2.265 -3.406 1.00 10.00 C ATOM 221 O TYR A 21 4.988 -2.490 -3.658 1.00 10.00 O ATOM 222 CB TYR A 21 6.939 -0.459 -1.843 1.00 10.00 C ATOM 223 CG TYR A 21 5.857 -0.686 -0.833 1.00 10.00 C ATOM 224 CD1 TYR A 21 5.710 -1.927 -0.229 1.00 10.00 C ATOM 225 CD2 TYR A 21 5.049 0.344 -0.405 1.00 10.00 C ATOM 226 CE1 TYR A 21 4.792 -2.125 0.755 1.00 10.00 C ATOM 227 CE2 TYR A 21 4.119 0.140 0.585 1.00 10.00 C ATOM 228 CZ TYR A 21 4.003 -1.106 1.162 1.00 10.00 C ATOM 229 OH TYR A 21 3.117 -1.323 2.182 1.00 10.00 O ATOM 0 H TYR A 21 5.055 0.309 -3.713 1.00 10.00 H new ATOM 0 HA TYR A 21 7.698 -0.913 -3.821 1.00 10.00 H new ATOM 0 HB2 TYR A 21 7.826 -0.982 -1.486 1.00 10.00 H new ATOM 0 HB3 TYR A 21 7.171 0.606 -1.831 1.00 10.00 H new ATOM 0 HD1 TYR A 21 6.335 -2.749 -0.546 1.00 10.00 H new ATOM 0 HD2 TYR A 21 5.148 1.322 -0.852 1.00 10.00 H new ATOM 0 HE1 TYR A 21 4.693 -3.099 1.212 1.00 10.00 H new ATOM 0 HE2 TYR A 21 3.483 0.951 0.909 1.00 10.00 H new ATOM 0 HH TYR A 21 2.315 -0.778 2.040 1.00 10.00 H new ATOM 239 N ARG A 22 7.071 -3.184 -3.136 1.00 10.00 N ATOM 240 CA ARG A 22 6.845 -4.595 -3.122 1.00 10.00 C ATOM 241 C ARG A 22 6.808 -5.106 -1.686 1.00 10.00 C ATOM 242 O ARG A 22 7.638 -4.741 -0.863 1.00 10.00 O ATOM 243 CB ARG A 22 8.036 -5.255 -3.810 1.00 10.00 C ATOM 244 CG ARG A 22 8.204 -6.731 -3.520 1.00 10.00 C ATOM 245 CD ARG A 22 9.581 -7.174 -3.907 1.00 10.00 C ATOM 246 NE ARG A 22 9.880 -8.529 -3.431 1.00 10.00 N ATOM 247 CZ ARG A 22 10.355 -9.533 -4.191 1.00 10.00 C ATOM 248 NH1 ARG A 22 10.553 -9.361 -5.500 1.00 10.00 N ATOM 249 NH2 ARG A 22 10.627 -10.705 -3.635 1.00 10.00 N ATOM 0 H ARG A 22 8.035 -2.944 -2.906 1.00 10.00 H new ATOM 0 HA ARG A 22 5.901 -4.822 -3.618 1.00 10.00 H new ATOM 0 HB2 ARG A 22 7.935 -5.121 -4.887 1.00 10.00 H new ATOM 0 HB3 ARG A 22 8.945 -4.735 -3.508 1.00 10.00 H new ATOM 0 HG2 ARG A 22 8.035 -6.924 -2.461 1.00 10.00 H new ATOM 0 HG3 ARG A 22 7.460 -7.306 -4.071 1.00 10.00 H new ATOM 0 HD2 ARG A 22 9.680 -7.142 -4.992 1.00 10.00 H new ATOM 0 HD3 ARG A 22 10.313 -6.477 -3.499 1.00 10.00 H new ATOM 0 HE ARG A 22 9.714 -8.726 -2.444 1.00 10.00 H new ATOM 0 HH11 ARG A 22 10.344 -8.462 -5.934 1.00 10.00 H new ATOM 0 HH12 ARG A 22 10.913 -10.129 -6.067 1.00 10.00 H new ATOM 0 HH21 ARG A 22 10.476 -10.843 -2.636 1.00 10.00 H new ATOM 0 HH22 ARG A 22 10.987 -11.469 -4.206 1.00 10.00 H new ATOM 263 N SER A 23 5.878 -5.930 -1.393 1.00 10.00 N ATOM 264 CA SER A 23 5.858 -6.606 -0.154 1.00 10.00 C ATOM 265 C SER A 23 5.230 -7.965 -0.348 1.00 10.00 C ATOM 266 O SER A 23 4.508 -8.173 -1.295 1.00 10.00 O ATOM 267 CB SER A 23 5.171 -5.763 0.936 1.00 10.00 C ATOM 268 OG SER A 23 3.924 -5.271 0.522 1.00 10.00 O ATOM 0 H SER A 23 5.100 -6.158 -2.012 1.00 10.00 H new ATOM 0 HA SER A 23 6.876 -6.757 0.204 1.00 10.00 H new ATOM 0 HB2 SER A 23 5.040 -6.369 1.832 1.00 10.00 H new ATOM 0 HB3 SER A 23 5.817 -4.928 1.207 1.00 10.00 H new ATOM 0 HG SER A 23 3.850 -5.347 -0.452 1.00 10.00 H new ATOM 274 N LEU A 24 5.568 -8.890 0.470 1.00 10.00 N ATOM 275 CA LEU A 24 4.976 -10.242 0.359 1.00 10.00 C ATOM 276 C LEU A 24 4.120 -10.549 1.572 1.00 10.00 C ATOM 277 O LEU A 24 4.461 -11.440 2.323 1.00 10.00 O ATOM 278 CB LEU A 24 6.051 -11.358 0.167 1.00 10.00 C ATOM 279 CG LEU A 24 6.782 -11.465 -1.194 1.00 10.00 C ATOM 280 CD1 LEU A 24 5.809 -11.722 -2.328 1.00 10.00 C ATOM 281 CD2 LEU A 24 7.629 -10.245 -1.484 1.00 10.00 C ATOM 0 H LEU A 24 6.241 -8.775 1.228 1.00 10.00 H new ATOM 0 HA LEU A 24 4.353 -10.237 -0.535 1.00 10.00 H new ATOM 0 HB2 LEU A 24 6.809 -11.222 0.939 1.00 10.00 H new ATOM 0 HB3 LEU A 24 5.569 -12.317 0.359 1.00 10.00 H new ATOM 0 HG LEU A 24 7.454 -12.320 -1.120 1.00 10.00 H new ATOM 0 HD11 LEU A 24 6.356 -11.791 -3.268 1.00 10.00 H new ATOM 0 HD12 LEU A 24 5.278 -12.657 -2.147 1.00 10.00 H new ATOM 0 HD13 LEU A 24 5.092 -10.903 -2.385 1.00 10.00 H new ATOM 0 HD21 LEU A 24 8.122 -10.365 -2.449 1.00 10.00 H new ATOM 0 HD22 LEU A 24 6.994 -9.359 -1.509 1.00 10.00 H new ATOM 0 HD23 LEU A 24 8.381 -10.130 -0.704 1.00 10.00 H new ATOM 293 N ALA A 25 2.978 -9.825 1.693 1.00 10.00 N ATOM 294 CA ALA A 25 2.071 -9.793 2.897 1.00 10.00 C ATOM 295 C ALA A 25 2.191 -10.999 3.813 1.00 10.00 C ATOM 296 O ALA A 25 1.895 -12.138 3.416 1.00 10.00 O ATOM 297 CB ALA A 25 0.629 -9.591 2.492 1.00 10.00 C ATOM 0 H ALA A 25 2.642 -9.225 0.939 1.00 10.00 H new ATOM 0 HA ALA A 25 2.414 -8.938 3.479 1.00 10.00 H new ATOM 0 HB1 ALA A 25 0.000 -9.572 3.382 1.00 10.00 H new ATOM 0 HB2 ALA A 25 0.530 -8.646 1.958 1.00 10.00 H new ATOM 0 HB3 ALA A 25 0.315 -10.409 1.843 1.00 10.00 H new ATOM 303 N ALA A 26 2.590 -10.714 5.040 1.00 10.00 N ATOM 304 CA ALA A 26 2.895 -11.659 6.023 1.00 10.00 C ATOM 305 C ALA A 26 1.702 -12.543 6.315 1.00 10.00 C ATOM 306 O ALA A 26 0.593 -12.062 6.514 1.00 10.00 O ATOM 307 CB ALA A 26 3.322 -10.901 7.256 1.00 10.00 C ATOM 0 H ALA A 26 2.707 -9.754 5.365 1.00 10.00 H new ATOM 0 HA ALA A 26 3.695 -12.317 5.684 1.00 10.00 H new ATOM 0 HB1 ALA A 26 3.569 -11.606 8.049 1.00 10.00 H new ATOM 0 HB2 ALA A 26 4.197 -10.293 7.025 1.00 10.00 H new ATOM 0 HB3 ALA A 26 2.508 -10.255 7.586 1.00 10.00 H new ATOM 313 N PRO A 27 1.921 -13.846 6.347 1.00 10.00 N ATOM 314 CA PRO A 27 0.868 -14.861 6.626 1.00 10.00 C ATOM 315 C PRO A 27 0.275 -14.755 8.032 1.00 10.00 C ATOM 316 O PRO A 27 -0.711 -15.412 8.368 1.00 10.00 O ATOM 317 CB PRO A 27 1.638 -16.167 6.484 1.00 10.00 C ATOM 318 CG PRO A 27 3.031 -15.752 6.804 1.00 10.00 C ATOM 319 CD PRO A 27 3.216 -14.500 6.079 1.00 10.00 C ATOM 0 HA PRO A 27 0.010 -14.750 5.962 1.00 10.00 H new ATOM 0 HB2 PRO A 27 1.273 -16.931 7.171 1.00 10.00 H new ATOM 0 HB3 PRO A 27 1.558 -16.579 5.478 1.00 10.00 H new ATOM 0 HG2 PRO A 27 3.167 -15.613 7.877 1.00 10.00 H new ATOM 0 HG3 PRO A 27 3.752 -16.505 6.486 1.00 10.00 H new ATOM 0 HD2 PRO A 27 4.059 -13.922 6.457 1.00 10.00 H new ATOM 0 HD3 PRO A 27 3.389 -14.658 5.015 1.00 10.00 H new ATOM 327 N ASP A 28 0.856 -13.912 8.821 1.00 10.00 N ATOM 328 CA ASP A 28 0.430 -13.740 10.206 1.00 10.00 C ATOM 329 C ASP A 28 -0.504 -12.553 10.313 1.00 10.00 C ATOM 330 O ASP A 28 -0.981 -12.201 11.394 1.00 10.00 O ATOM 331 CB ASP A 28 1.621 -13.575 11.168 1.00 10.00 C ATOM 332 CG ASP A 28 2.333 -12.244 11.050 1.00 10.00 C ATOM 333 OD1 ASP A 28 3.249 -12.124 10.214 1.00 10.00 O ATOM 334 OD2 ASP A 28 2.010 -11.310 11.827 1.00 10.00 O ATOM 0 H ASP A 28 1.637 -13.317 8.543 1.00 10.00 H new ATOM 0 HA ASP A 28 -0.096 -14.647 10.504 1.00 10.00 H new ATOM 0 HB2 ASP A 28 1.266 -13.695 12.192 1.00 10.00 H new ATOM 0 HB3 ASP A 28 2.337 -14.375 10.983 1.00 10.00 H new ATOM 339 N LEU A 29 -0.776 -11.959 9.185 1.00 10.00 N ATOM 340 CA LEU A 29 -1.663 -10.839 9.104 1.00 10.00 C ATOM 341 C LEU A 29 -3.095 -11.248 9.147 1.00 10.00 C ATOM 342 O LEU A 29 -3.482 -12.314 8.653 1.00 10.00 O ATOM 343 CB LEU A 29 -1.411 -10.034 7.856 1.00 10.00 C ATOM 344 CG LEU A 29 -0.236 -9.098 7.911 1.00 10.00 C ATOM 345 CD1 LEU A 29 0.020 -8.531 6.541 1.00 10.00 C ATOM 346 CD2 LEU A 29 -0.530 -7.973 8.887 1.00 10.00 C ATOM 0 H LEU A 29 -0.383 -12.244 8.288 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.458 -10.223 9.980 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -1.265 -10.723 7.024 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -2.306 -9.452 7.634 1.00 10.00 H new ATOM 0 HG LEU A 29 0.648 -9.642 8.245 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.872 -7.852 6.581 1.00 10.00 H new ATOM 0 HD12 LEU A 29 0.235 -9.342 5.846 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -0.861 -7.987 6.202 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.322 -7.294 8.927 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -1.414 -7.427 8.557 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.709 -8.389 9.878 1.00 10.00 H new ATOM 358 N THR A 30 -3.858 -10.428 9.764 1.00 10.00 N ATOM 359 CA THR A 30 -5.245 -10.571 9.843 1.00 10.00 C ATOM 360 C THR A 30 -5.917 -9.571 8.991 1.00 10.00 C ATOM 361 O THR A 30 -5.493 -8.430 8.939 1.00 10.00 O ATOM 362 CB THR A 30 -5.679 -10.355 11.249 1.00 10.00 C ATOM 363 OG1 THR A 30 -4.764 -9.470 11.917 1.00 10.00 O ATOM 364 CG2 THR A 30 -5.787 -11.644 11.946 1.00 10.00 C ATOM 0 H THR A 30 -3.507 -9.602 10.248 1.00 10.00 H new ATOM 0 HA THR A 30 -5.511 -11.573 9.506 1.00 10.00 H new ATOM 0 HB THR A 30 -6.663 -9.887 11.256 1.00 10.00 H new ATOM 0 HG1 THR A 30 -5.058 -9.332 12.841 1.00 10.00 H new ATOM 0 HG21 THR A 30 -6.105 -11.476 12.975 1.00 10.00 H new ATOM 0 HG22 THR A 30 -6.519 -12.272 11.438 1.00 10.00 H new ATOM 0 HG23 THR A 30 -4.817 -12.142 11.943 1.00 10.00 H new ATOM 372 N LEU A 31 -6.965 -9.996 8.327 1.00 10.00 N ATOM 373 CA LEU A 31 -7.807 -9.127 7.522 1.00 10.00 C ATOM 374 C LEU A 31 -8.237 -7.957 8.340 1.00 10.00 C ATOM 375 O LEU A 31 -8.203 -6.846 7.862 1.00 10.00 O ATOM 376 CB LEU A 31 -9.028 -9.875 7.122 1.00 10.00 C ATOM 377 CG LEU A 31 -10.080 -9.142 6.280 1.00 10.00 C ATOM 378 CD1 LEU A 31 -9.534 -8.762 4.924 1.00 10.00 C ATOM 379 CD2 LEU A 31 -11.329 -9.993 6.140 1.00 10.00 C ATOM 0 H LEU A 31 -7.266 -10.970 8.327 1.00 10.00 H new ATOM 0 HA LEU A 31 -7.250 -8.795 6.646 1.00 10.00 H new ATOM 0 HB2 LEU A 31 -8.711 -10.757 6.566 1.00 10.00 H new ATOM 0 HB3 LEU A 31 -9.515 -10.229 8.031 1.00 10.00 H new ATOM 0 HG LEU A 31 -10.343 -8.219 6.797 1.00 10.00 H new ATOM 0 HD11 LEU A 31 -10.305 -8.244 4.353 1.00 10.00 H new ATOM 0 HD12 LEU A 31 -8.673 -8.105 5.049 1.00 10.00 H new ATOM 0 HD13 LEU A 31 -9.229 -9.662 4.389 1.00 10.00 H new ATOM 0 HD21 LEU A 31 -12.067 -9.460 5.540 1.00 10.00 H new ATOM 0 HD22 LEU A 31 -11.075 -10.934 5.652 1.00 10.00 H new ATOM 0 HD23 LEU A 31 -11.743 -10.197 7.128 1.00 10.00 H new ATOM 391 N ARG A 32 -8.586 -8.187 9.610 1.00 10.00 N ATOM 392 CA ARG A 32 -9.036 -7.065 10.408 1.00 10.00 C ATOM 393 C ARG A 32 -7.910 -6.050 10.575 1.00 10.00 C ATOM 394 O ARG A 32 -8.145 -4.855 10.528 1.00 10.00 O ATOM 395 CB ARG A 32 -9.643 -7.467 11.763 1.00 10.00 C ATOM 396 CG ARG A 32 -10.113 -6.251 12.573 1.00 10.00 C ATOM 397 CD ARG A 32 -11.201 -5.452 11.833 1.00 10.00 C ATOM 398 NE ARG A 32 -10.939 -4.011 11.893 1.00 10.00 N ATOM 399 CZ ARG A 32 -11.595 -3.055 11.210 1.00 10.00 C ATOM 400 NH1 ARG A 32 -12.708 -3.340 10.529 1.00 10.00 N ATOM 401 NH2 ARG A 32 -11.161 -1.803 11.263 1.00 10.00 N ATOM 0 H ARG A 32 -8.566 -9.092 10.080 1.00 10.00 H new ATOM 0 HA ARG A 32 -9.855 -6.601 9.858 1.00 10.00 H new ATOM 0 HB2 ARG A 32 -10.486 -8.138 11.597 1.00 10.00 H new ATOM 0 HB3 ARG A 32 -8.903 -8.022 12.340 1.00 10.00 H new ATOM 0 HG2 ARG A 32 -10.500 -6.584 13.536 1.00 10.00 H new ATOM 0 HG3 ARG A 32 -9.262 -5.601 12.778 1.00 10.00 H new ATOM 0 HD2 ARG A 32 -11.245 -5.772 10.792 1.00 10.00 H new ATOM 0 HD3 ARG A 32 -12.175 -5.665 12.274 1.00 10.00 H new ATOM 0 HE ARG A 32 -10.188 -3.704 12.511 1.00 10.00 H new ATOM 0 HH11 ARG A 32 -13.072 -4.293 10.522 1.00 10.00 H new ATOM 0 HH12 ARG A 32 -13.194 -2.605 10.016 1.00 10.00 H new ATOM 0 HH21 ARG A 32 -10.337 -1.572 11.818 1.00 10.00 H new ATOM 0 HH22 ARG A 32 -11.651 -1.071 10.749 1.00 10.00 H new ATOM 415 N ASP A 33 -6.687 -6.539 10.643 1.00 10.00 N ATOM 416 CA ASP A 33 -5.556 -5.664 10.787 1.00 10.00 C ATOM 417 C ASP A 33 -5.314 -4.917 9.479 1.00 10.00 C ATOM 418 O ASP A 33 -4.998 -3.754 9.521 1.00 10.00 O ATOM 419 CB ASP A 33 -4.304 -6.411 11.272 1.00 10.00 C ATOM 420 CG ASP A 33 -3.185 -5.488 11.747 1.00 10.00 C ATOM 421 OD1 ASP A 33 -3.416 -4.660 12.658 1.00 10.00 O ATOM 422 OD2 ASP A 33 -2.047 -5.604 11.264 1.00 10.00 O ATOM 0 H ASP A 33 -6.459 -7.532 10.601 1.00 10.00 H new ATOM 0 HA ASP A 33 -5.781 -4.932 11.563 1.00 10.00 H new ATOM 0 HB2 ASP A 33 -4.583 -7.079 12.087 1.00 10.00 H new ATOM 0 HB3 ASP A 33 -3.928 -7.036 10.462 1.00 10.00 H new ATOM 427 N LEU A 34 -5.570 -5.567 8.286 1.00 10.00 N ATOM 428 CA LEU A 34 -5.421 -4.813 6.989 1.00 10.00 C ATOM 429 C LEU A 34 -6.445 -3.730 6.920 1.00 10.00 C ATOM 430 O LEU A 34 -6.203 -2.642 6.398 1.00 10.00 O ATOM 431 CB LEU A 34 -5.585 -5.663 5.696 1.00 10.00 C ATOM 432 CG LEU A 34 -4.487 -6.640 5.295 1.00 10.00 C ATOM 433 CD1 LEU A 34 -3.127 -5.965 5.207 1.00 10.00 C ATOM 434 CD2 LEU A 34 -4.466 -7.785 6.224 1.00 10.00 C ATOM 0 H LEU A 34 -5.860 -6.541 8.198 1.00 10.00 H new ATOM 0 HA LEU A 34 -4.396 -4.444 7.008 1.00 10.00 H new ATOM 0 HB2 LEU A 34 -6.509 -6.233 5.795 1.00 10.00 H new ATOM 0 HB3 LEU A 34 -5.725 -4.971 4.866 1.00 10.00 H new ATOM 0 HG LEU A 34 -4.712 -7.010 4.295 1.00 10.00 H new ATOM 0 HD11 LEU A 34 -2.375 -6.699 4.918 1.00 10.00 H new ATOM 0 HD12 LEU A 34 -3.163 -5.170 4.462 1.00 10.00 H new ATOM 0 HD13 LEU A 34 -2.867 -5.542 6.177 1.00 10.00 H new ATOM 0 HD21 LEU A 34 -3.678 -8.478 5.929 1.00 10.00 H new ATOM 0 HD22 LEU A 34 -4.276 -7.429 7.236 1.00 10.00 H new ATOM 0 HD23 LEU A 34 -5.428 -8.296 6.194 1.00 10.00 H new ATOM 446 N LEU A 35 -7.590 -4.042 7.434 1.00 10.00 N ATOM 447 CA LEU A 35 -8.709 -3.133 7.431 1.00 10.00 C ATOM 448 C LEU A 35 -8.466 -1.984 8.381 1.00 10.00 C ATOM 449 O LEU A 35 -8.715 -0.828 8.052 1.00 10.00 O ATOM 450 CB LEU A 35 -10.025 -3.894 7.692 1.00 10.00 C ATOM 451 CG LEU A 35 -10.620 -4.673 6.473 1.00 10.00 C ATOM 452 CD1 LEU A 35 -11.346 -3.712 5.549 1.00 10.00 C ATOM 453 CD2 LEU A 35 -9.513 -5.362 5.671 1.00 10.00 C ATOM 0 H LEU A 35 -7.785 -4.941 7.874 1.00 10.00 H new ATOM 0 HA LEU A 35 -8.813 -2.684 6.443 1.00 10.00 H new ATOM 0 HB2 LEU A 35 -9.857 -4.602 8.503 1.00 10.00 H new ATOM 0 HB3 LEU A 35 -10.771 -3.180 8.041 1.00 10.00 H new ATOM 0 HG LEU A 35 -11.309 -5.423 6.862 1.00 10.00 H new ATOM 0 HD11 LEU A 35 -11.757 -4.262 4.703 1.00 10.00 H new ATOM 0 HD12 LEU A 35 -12.155 -3.225 6.093 1.00 10.00 H new ATOM 0 HD13 LEU A 35 -10.647 -2.958 5.187 1.00 10.00 H new ATOM 0 HD21 LEU A 35 -9.953 -5.897 4.829 1.00 10.00 H new ATOM 0 HD22 LEU A 35 -8.813 -4.614 5.300 1.00 10.00 H new ATOM 0 HD23 LEU A 35 -8.984 -6.067 6.312 1.00 10.00 H new ATOM 465 N ASP A 36 -7.910 -2.294 9.519 1.00 10.00 N ATOM 466 CA ASP A 36 -7.503 -1.238 10.469 1.00 10.00 C ATOM 467 C ASP A 36 -6.376 -0.402 9.887 1.00 10.00 C ATOM 468 O ASP A 36 -6.342 0.836 10.060 1.00 10.00 O ATOM 469 CB ASP A 36 -7.139 -1.768 11.867 1.00 10.00 C ATOM 470 CG ASP A 36 -8.360 -2.092 12.696 1.00 10.00 C ATOM 471 OD1 ASP A 36 -9.117 -1.166 13.042 1.00 10.00 O ATOM 472 OD2 ASP A 36 -8.602 -3.257 13.029 1.00 10.00 O ATOM 0 H ASP A 36 -7.721 -3.247 9.829 1.00 10.00 H new ATOM 0 HA ASP A 36 -8.378 -0.605 10.615 1.00 10.00 H new ATOM 0 HB2 ASP A 36 -6.525 -2.663 11.765 1.00 10.00 H new ATOM 0 HB3 ASP A 36 -6.536 -1.025 12.389 1.00 10.00 H new ATOM 477 N ILE A 37 -5.462 -1.072 9.189 1.00 10.00 N ATOM 478 CA ILE A 37 -4.404 -0.424 8.427 1.00 10.00 C ATOM 479 C ILE A 37 -5.010 0.575 7.452 1.00 10.00 C ATOM 480 O ILE A 37 -4.751 1.763 7.558 1.00 10.00 O ATOM 481 CB ILE A 37 -3.536 -1.473 7.633 1.00 10.00 C ATOM 482 CG1 ILE A 37 -2.564 -2.213 8.553 1.00 10.00 C ATOM 483 CG2 ILE A 37 -2.767 -0.829 6.471 1.00 10.00 C ATOM 484 CD1 ILE A 37 -2.101 -3.545 7.990 1.00 10.00 C ATOM 0 H ILE A 37 -5.437 -2.090 9.138 1.00 10.00 H new ATOM 0 HA ILE A 37 -3.752 0.092 9.132 1.00 10.00 H new ATOM 0 HB ILE A 37 -4.239 -2.194 7.215 1.00 10.00 H new ATOM 0 HG12 ILE A 37 -1.695 -1.581 8.735 1.00 10.00 H new ATOM 0 HG13 ILE A 37 -3.044 -2.381 9.517 1.00 10.00 H new ATOM 0 HG21 ILE A 37 -2.184 -1.591 5.954 1.00 10.00 H new ATOM 0 HG22 ILE A 37 -3.473 -0.377 5.774 1.00 10.00 H new ATOM 0 HG23 ILE A 37 -2.098 -0.061 6.859 1.00 10.00 H new ATOM 0 HD11 ILE A 37 -1.414 -4.018 8.692 1.00 10.00 H new ATOM 0 HD12 ILE A 37 -2.963 -4.193 7.834 1.00 10.00 H new ATOM 0 HD13 ILE A 37 -1.593 -3.381 7.040 1.00 10.00 H new ATOM 496 N VAL A 38 -5.870 0.094 6.553 1.00 10.00 N ATOM 497 CA VAL A 38 -6.415 0.928 5.493 1.00 10.00 C ATOM 498 C VAL A 38 -7.245 2.108 6.033 1.00 10.00 C ATOM 499 O VAL A 38 -7.113 3.229 5.526 1.00 10.00 O ATOM 500 CB VAL A 38 -7.193 0.117 4.397 1.00 10.00 C ATOM 501 CG1 VAL A 38 -8.527 -0.416 4.885 1.00 10.00 C ATOM 502 CG2 VAL A 38 -7.363 0.937 3.132 1.00 10.00 C ATOM 0 H VAL A 38 -6.201 -0.871 6.542 1.00 10.00 H new ATOM 0 HA VAL A 38 -5.546 1.354 4.991 1.00 10.00 H new ATOM 0 HB VAL A 38 -6.581 -0.755 4.167 1.00 10.00 H new ATOM 0 HG11 VAL A 38 -9.015 -0.967 4.081 1.00 10.00 H new ATOM 0 HG12 VAL A 38 -8.365 -1.080 5.734 1.00 10.00 H new ATOM 0 HG13 VAL A 38 -9.161 0.416 5.192 1.00 10.00 H new ATOM 0 HG21 VAL A 38 -7.905 0.352 2.389 1.00 10.00 H new ATOM 0 HG22 VAL A 38 -7.923 1.844 3.359 1.00 10.00 H new ATOM 0 HG23 VAL A 38 -6.383 1.205 2.738 1.00 10.00 H new ATOM 512 N GLU A 39 -8.040 1.877 7.085 1.00 10.00 N ATOM 513 CA GLU A 39 -8.839 2.946 7.682 1.00 10.00 C ATOM 514 C GLU A 39 -7.950 4.043 8.288 1.00 10.00 C ATOM 515 O GLU A 39 -8.245 5.233 8.163 1.00 10.00 O ATOM 516 CB GLU A 39 -9.866 2.408 8.706 1.00 10.00 C ATOM 517 CG GLU A 39 -10.947 1.515 8.082 1.00 10.00 C ATOM 518 CD GLU A 39 -12.059 1.143 9.047 1.00 10.00 C ATOM 519 OE1 GLU A 39 -13.013 1.937 9.204 1.00 10.00 O ATOM 520 OE2 GLU A 39 -12.032 0.055 9.645 1.00 10.00 O ATOM 0 H GLU A 39 -8.145 0.967 7.535 1.00 10.00 H new ATOM 0 HA GLU A 39 -9.413 3.401 6.875 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -9.338 1.842 9.474 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -10.346 3.251 9.204 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -11.379 2.028 7.223 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -10.482 0.603 7.708 1.00 10.00 H new ATOM 527 N THR A 40 -6.846 3.649 8.898 1.00 10.00 N ATOM 528 CA THR A 40 -5.906 4.614 9.460 1.00 10.00 C ATOM 529 C THR A 40 -5.090 5.288 8.316 1.00 10.00 C ATOM 530 O THR A 40 -4.921 6.516 8.271 1.00 10.00 O ATOM 531 CB THR A 40 -4.943 3.908 10.454 1.00 10.00 C ATOM 532 OG1 THR A 40 -5.714 3.126 11.399 1.00 10.00 O ATOM 533 CG2 THR A 40 -4.107 4.928 11.217 1.00 10.00 C ATOM 0 H THR A 40 -6.576 2.673 9.019 1.00 10.00 H new ATOM 0 HA THR A 40 -6.466 5.380 9.997 1.00 10.00 H new ATOM 0 HB THR A 40 -4.275 3.261 9.886 1.00 10.00 H new ATOM 0 HG1 THR A 40 -5.993 2.286 10.978 1.00 10.00 H new ATOM 0 HG21 THR A 40 -3.441 4.410 11.907 1.00 10.00 H new ATOM 0 HG22 THR A 40 -3.516 5.514 10.513 1.00 10.00 H new ATOM 0 HG23 THR A 40 -4.765 5.591 11.778 1.00 10.00 H new ATOM 541 N SER A 41 -4.661 4.459 7.387 1.00 10.00 N ATOM 542 CA SER A 41 -3.842 4.832 6.251 1.00 10.00 C ATOM 543 C SER A 41 -4.478 5.930 5.400 1.00 10.00 C ATOM 544 O SER A 41 -3.865 6.983 5.166 1.00 10.00 O ATOM 545 CB SER A 41 -3.604 3.574 5.394 1.00 10.00 C ATOM 546 OG SER A 41 -2.858 3.840 4.236 1.00 10.00 O ATOM 0 H SER A 41 -4.883 3.464 7.403 1.00 10.00 H new ATOM 0 HA SER A 41 -2.902 5.236 6.626 1.00 10.00 H new ATOM 0 HB2 SER A 41 -3.084 2.825 5.992 1.00 10.00 H new ATOM 0 HB3 SER A 41 -4.565 3.145 5.111 1.00 10.00 H new ATOM 0 HG SER A 41 -2.734 3.010 3.729 1.00 10.00 H new ATOM 552 N GLN A 42 -5.709 5.698 4.973 1.00 10.00 N ATOM 553 CA GLN A 42 -6.379 6.585 4.040 1.00 10.00 C ATOM 554 C GLN A 42 -6.594 7.973 4.641 1.00 10.00 C ATOM 555 O GLN A 42 -6.463 8.982 3.953 1.00 10.00 O ATOM 556 CB GLN A 42 -7.704 5.966 3.586 1.00 10.00 C ATOM 557 CG GLN A 42 -8.801 5.956 4.639 1.00 10.00 C ATOM 558 CD GLN A 42 -9.935 6.879 4.270 1.00 10.00 C ATOM 559 OE1 GLN A 42 -9.747 7.858 3.545 1.00 10.00 O ATOM 560 NE2 GLN A 42 -11.074 6.640 4.822 1.00 10.00 N ATOM 0 H GLN A 42 -6.267 4.895 5.262 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.737 6.711 3.168 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -8.063 6.512 2.714 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -7.518 4.941 3.266 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -9.181 4.942 4.759 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -8.385 6.256 5.601 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -11.191 5.819 5.416 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -11.859 7.272 4.665 1.00 10.00 H new ATOM 569 N ALA A 43 -6.869 8.013 5.933 1.00 10.00 N ATOM 570 CA ALA A 43 -7.141 9.246 6.622 1.00 10.00 C ATOM 571 C ALA A 43 -5.886 10.117 6.697 1.00 10.00 C ATOM 572 O ALA A 43 -5.958 11.347 6.547 1.00 10.00 O ATOM 573 CB ALA A 43 -7.728 8.960 7.987 1.00 10.00 C ATOM 0 H ALA A 43 -6.908 7.186 6.528 1.00 10.00 H new ATOM 0 HA ALA A 43 -7.882 9.814 6.059 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -7.930 9.900 8.500 1.00 10.00 H new ATOM 0 HB2 ALA A 43 -8.657 8.401 7.874 1.00 10.00 H new ATOM 0 HB3 ALA A 43 -7.020 8.372 8.572 1.00 10.00 H new ATOM 579 N HIS A 44 -4.731 9.485 6.903 1.00 10.00 N ATOM 580 CA HIS A 44 -3.465 10.221 6.882 1.00 10.00 C ATOM 581 C HIS A 44 -3.167 10.645 5.473 1.00 10.00 C ATOM 582 O HIS A 44 -2.725 11.744 5.254 1.00 10.00 O ATOM 583 CB HIS A 44 -2.291 9.388 7.392 1.00 10.00 C ATOM 584 CG HIS A 44 -0.923 10.076 7.279 1.00 10.00 C ATOM 585 ND1 HIS A 44 0.062 9.620 6.439 1.00 10.00 N ATOM 586 CD2 HIS A 44 -0.401 11.173 7.877 1.00 10.00 C ATOM 587 CE1 HIS A 44 1.115 10.392 6.518 1.00 10.00 C ATOM 588 NE2 HIS A 44 0.873 11.340 7.381 1.00 10.00 N ATOM 0 H HIS A 44 -4.644 8.485 7.083 1.00 10.00 H new ATOM 0 HA HIS A 44 -3.580 11.079 7.544 1.00 10.00 H new ATOM 0 HB2 HIS A 44 -2.470 9.133 8.437 1.00 10.00 H new ATOM 0 HB3 HIS A 44 -2.259 8.451 6.836 1.00 10.00 H new ATOM 0 HD2 HIS A 44 -0.892 11.800 8.607 1.00 10.00 H new ATOM 0 HE1 HIS A 44 2.032 10.266 5.962 1.00 10.00 H new ATOM 0 HE2 HIS A 44 1.521 12.083 7.645 1.00 10.00 H new ATOM 597 N ASN A 45 -3.400 9.756 4.527 1.00 10.00 N ATOM 598 CA ASN A 45 -3.142 10.047 3.122 1.00 10.00 C ATOM 599 C ASN A 45 -3.941 11.219 2.644 1.00 10.00 C ATOM 600 O ASN A 45 -3.393 12.113 2.044 1.00 10.00 O ATOM 601 CB ASN A 45 -3.339 8.824 2.218 1.00 10.00 C ATOM 602 CG ASN A 45 -2.145 7.884 2.241 1.00 10.00 C ATOM 603 OD1 ASN A 45 -1.404 7.814 3.222 1.00 10.00 O ATOM 604 ND2 ASN A 45 -1.942 7.162 1.163 1.00 10.00 N ATOM 0 H ASN A 45 -3.769 8.821 4.703 1.00 10.00 H new ATOM 0 HA ASN A 45 -2.088 10.316 3.053 1.00 10.00 H new ATOM 0 HB2 ASN A 45 -4.230 8.282 2.535 1.00 10.00 H new ATOM 0 HB3 ASN A 45 -3.515 9.157 1.195 1.00 10.00 H new ATOM 0 HD21 ASN A 45 -1.151 6.519 1.121 1.00 10.00 H new ATOM 0 HD22 ASN A 45 -2.575 7.244 0.368 1.00 10.00 H new ATOM 611 N ALA A 46 -5.214 11.244 2.972 1.00 10.00 N ATOM 612 CA ALA A 46 -6.090 12.347 2.601 1.00 10.00 C ATOM 613 C ALA A 46 -5.598 13.656 3.216 1.00 10.00 C ATOM 614 O ALA A 46 -5.578 14.704 2.563 1.00 10.00 O ATOM 615 CB ALA A 46 -7.507 12.061 3.056 1.00 10.00 C ATOM 0 H ALA A 46 -5.676 10.505 3.502 1.00 10.00 H new ATOM 0 HA ALA A 46 -6.077 12.448 1.516 1.00 10.00 H new ATOM 0 HB1 ALA A 46 -8.154 12.891 2.774 1.00 10.00 H new ATOM 0 HB2 ALA A 46 -7.863 11.146 2.583 1.00 10.00 H new ATOM 0 HB3 ALA A 46 -7.524 11.939 4.139 1.00 10.00 H new ATOM 621 N ARG A 47 -5.173 13.577 4.463 1.00 10.00 N ATOM 622 CA ARG A 47 -4.674 14.726 5.190 1.00 10.00 C ATOM 623 C ARG A 47 -3.344 15.161 4.593 1.00 10.00 C ATOM 624 O ARG A 47 -3.104 16.350 4.378 1.00 10.00 O ATOM 625 CB ARG A 47 -4.492 14.354 6.671 1.00 10.00 C ATOM 626 CG ARG A 47 -4.434 15.531 7.680 1.00 10.00 C ATOM 627 CD ARG A 47 -3.188 16.407 7.540 1.00 10.00 C ATOM 628 NE ARG A 47 -1.948 15.682 7.856 1.00 10.00 N ATOM 629 CZ ARG A 47 -0.760 15.864 7.249 1.00 10.00 C ATOM 630 NH1 ARG A 47 -0.656 16.677 6.197 1.00 10.00 N ATOM 631 NH2 ARG A 47 0.308 15.210 7.683 1.00 10.00 N ATOM 0 H ARG A 47 -5.165 12.710 5.001 1.00 10.00 H new ATOM 0 HA ARG A 47 -5.385 15.548 5.115 1.00 10.00 H new ATOM 0 HB2 ARG A 47 -5.312 13.697 6.961 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -3.572 13.777 6.767 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -5.320 16.153 7.549 1.00 10.00 H new ATOM 0 HG3 ARG A 47 -4.473 15.130 8.693 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -3.131 16.790 6.521 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -3.279 17.269 8.201 1.00 10.00 H new ATOM 0 HE ARG A 47 -1.992 14.983 8.597 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -1.480 17.166 5.847 1.00 10.00 H new ATOM 0 HH12 ARG A 47 0.247 16.810 5.742 1.00 10.00 H new ATOM 0 HH21 ARG A 47 0.228 14.571 8.474 1.00 10.00 H new ATOM 0 HH22 ARG A 47 1.210 15.345 7.226 1.00 10.00 H new ATOM 645 N ALA A 48 -2.485 14.200 4.330 1.00 10.00 N ATOM 646 CA ALA A 48 -1.173 14.490 3.819 1.00 10.00 C ATOM 647 C ALA A 48 -1.163 14.781 2.315 1.00 10.00 C ATOM 648 O ALA A 48 -0.106 15.074 1.752 1.00 10.00 O ATOM 649 CB ALA A 48 -0.180 13.414 4.198 1.00 10.00 C ATOM 0 H ALA A 48 -2.678 13.207 4.464 1.00 10.00 H new ATOM 0 HA ALA A 48 -0.854 15.415 4.299 1.00 10.00 H new ATOM 0 HB1 ALA A 48 0.801 13.666 3.795 1.00 10.00 H new ATOM 0 HB2 ALA A 48 -0.119 13.342 5.284 1.00 10.00 H new ATOM 0 HB3 ALA A 48 -0.506 12.458 3.789 1.00 10.00 H new ATOM 655 N GLN A 49 -2.368 14.731 1.688 1.00 10.00 N ATOM 656 CA GLN A 49 -2.620 15.084 0.245 1.00 10.00 C ATOM 657 C GLN A 49 -2.087 14.012 -0.696 1.00 10.00 C ATOM 658 O GLN A 49 -1.860 14.241 -1.896 1.00 10.00 O ATOM 659 CB GLN A 49 -2.041 16.466 -0.089 1.00 10.00 C ATOM 660 CG GLN A 49 -2.398 17.468 0.933 1.00 10.00 C ATOM 661 CD GLN A 49 -1.169 18.080 1.574 1.00 10.00 C ATOM 662 OE1 GLN A 49 -0.126 18.280 0.924 1.00 10.00 O ATOM 663 NE2 GLN A 49 -1.241 18.311 2.853 1.00 10.00 N ATOM 0 H GLN A 49 -3.217 14.439 2.173 1.00 10.00 H new ATOM 0 HA GLN A 49 -3.699 15.130 0.098 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.956 16.397 -0.168 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -2.411 16.790 -1.062 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -3.000 18.254 0.477 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.014 17.000 1.701 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -2.112 18.136 3.355 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -0.427 18.667 3.354 1.00 10.00 H new ATOM 672 N LEU A 50 -1.943 12.848 -0.140 1.00 10.00 N ATOM 673 CA LEU A 50 -1.474 11.669 -0.818 1.00 10.00 C ATOM 674 C LEU A 50 -2.563 10.975 -1.621 1.00 10.00 C ATOM 675 O LEU A 50 -3.677 10.739 -1.143 1.00 10.00 O ATOM 676 CB LEU A 50 -0.847 10.697 0.175 1.00 10.00 C ATOM 677 CG LEU A 50 0.634 10.893 0.481 1.00 10.00 C ATOM 678 CD1 LEU A 50 0.956 12.296 0.905 1.00 10.00 C ATOM 679 CD2 LEU A 50 1.104 9.919 1.524 1.00 10.00 C ATOM 0 H LEU A 50 -2.158 12.682 0.843 1.00 10.00 H new ATOM 0 HA LEU A 50 -0.718 11.998 -1.531 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -1.400 10.763 1.112 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -0.985 9.685 -0.206 1.00 10.00 H new ATOM 0 HG LEU A 50 1.167 10.703 -0.451 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.023 12.378 1.110 1.00 10.00 H new ATOM 0 HD12 LEU A 50 0.685 12.988 0.108 1.00 10.00 H new ATOM 0 HD13 LEU A 50 0.394 12.542 1.806 1.00 10.00 H new ATOM 0 HD21 LEU A 50 2.163 10.081 1.722 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.536 10.067 2.442 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.954 8.901 1.165 1.00 10.00 H new ATOM 691 N THR A 51 -2.209 10.658 -2.820 1.00 10.00 N ATOM 692 CA THR A 51 -3.013 9.998 -3.792 1.00 10.00 C ATOM 693 C THR A 51 -2.432 8.607 -3.993 1.00 10.00 C ATOM 694 O THR A 51 -1.245 8.414 -3.770 1.00 10.00 O ATOM 695 CB THR A 51 -3.004 10.901 -5.023 1.00 10.00 C ATOM 696 OG1 THR A 51 -1.689 11.240 -5.412 1.00 10.00 O ATOM 697 CG2 THR A 51 -3.725 12.146 -4.612 1.00 10.00 C ATOM 0 H THR A 51 -1.276 10.871 -3.173 1.00 10.00 H new ATOM 0 HA THR A 51 -4.055 9.844 -3.512 1.00 10.00 H new ATOM 0 HB THR A 51 -3.470 10.396 -5.869 1.00 10.00 H new ATOM 0 HG1 THR A 51 -1.531 10.937 -6.330 1.00 10.00 H new ATOM 0 HG21 THR A 51 -3.756 12.842 -5.450 1.00 10.00 H new ATOM 0 HG22 THR A 51 -4.742 11.895 -4.311 1.00 10.00 H new ATOM 0 HG23 THR A 51 -3.203 12.610 -3.775 1.00 10.00 H new ATOM 705 N GLY A 52 -3.232 7.624 -4.317 1.00 10.00 N ATOM 706 CA GLY A 52 -2.722 6.282 -4.216 1.00 10.00 C ATOM 707 C GLY A 52 -3.535 5.246 -4.890 1.00 10.00 C ATOM 708 O GLY A 52 -4.574 5.528 -5.488 1.00 10.00 O ATOM 0 H GLY A 52 -4.195 7.717 -4.639 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -1.716 6.261 -4.635 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -2.634 6.022 -3.161 1.00 10.00 H new ATOM 712 N ALA A 53 -3.019 4.058 -4.837 1.00 10.00 N ATOM 713 CA ALA A 53 -3.656 2.854 -5.316 1.00 10.00 C ATOM 714 C ALA A 53 -2.788 1.696 -4.911 1.00 10.00 C ATOM 715 O ALA A 53 -1.662 1.916 -4.459 1.00 10.00 O ATOM 716 CB ALA A 53 -3.877 2.882 -6.823 1.00 10.00 C ATOM 0 H ALA A 53 -2.096 3.885 -4.440 1.00 10.00 H new ATOM 0 HA ALA A 53 -4.649 2.761 -4.875 1.00 10.00 H new ATOM 0 HB1 ALA A 53 -4.358 1.956 -7.137 1.00 10.00 H new ATOM 0 HB2 ALA A 53 -4.514 3.728 -7.082 1.00 10.00 H new ATOM 0 HB3 ALA A 53 -2.917 2.982 -7.330 1.00 10.00 H new ATOM 722 N LEU A 54 -3.278 0.492 -5.033 1.00 10.00 N ATOM 723 CA LEU A 54 -2.492 -0.661 -4.698 1.00 10.00 C ATOM 724 C LEU A 54 -3.092 -1.886 -5.315 1.00 10.00 C ATOM 725 O LEU A 54 -4.286 -1.904 -5.631 1.00 10.00 O ATOM 726 CB LEU A 54 -2.326 -0.806 -3.158 1.00 10.00 C ATOM 727 CG LEU A 54 -3.571 -1.060 -2.290 1.00 10.00 C ATOM 728 CD1 LEU A 54 -3.966 -2.533 -2.285 1.00 10.00 C ATOM 729 CD2 LEU A 54 -3.339 -0.552 -0.879 1.00 10.00 C ATOM 0 H LEU A 54 -4.221 0.285 -5.363 1.00 10.00 H new ATOM 0 HA LEU A 54 -1.490 -0.532 -5.108 1.00 10.00 H new ATOM 0 HB2 LEU A 54 -1.628 -1.624 -2.979 1.00 10.00 H new ATOM 0 HB3 LEU A 54 -1.851 0.104 -2.792 1.00 10.00 H new ATOM 0 HG LEU A 54 -4.403 -0.508 -2.727 1.00 10.00 H new ATOM 0 HD11 LEU A 54 -4.849 -2.671 -1.661 1.00 10.00 H new ATOM 0 HD12 LEU A 54 -4.187 -2.854 -3.303 1.00 10.00 H new ATOM 0 HD13 LEU A 54 -3.144 -3.129 -1.887 1.00 10.00 H new ATOM 0 HD21 LEU A 54 -4.227 -0.738 -0.275 1.00 10.00 H new ATOM 0 HD22 LEU A 54 -2.487 -1.072 -0.441 1.00 10.00 H new ATOM 0 HD23 LEU A 54 -3.136 0.519 -0.906 1.00 10.00 H new ATOM 741 N PHE A 55 -2.285 -2.887 -5.481 1.00 10.00 N ATOM 742 CA PHE A 55 -2.707 -4.136 -6.030 1.00 10.00 C ATOM 743 C PHE A 55 -2.190 -5.248 -5.149 1.00 10.00 C ATOM 744 O PHE A 55 -0.996 -5.544 -5.115 1.00 10.00 O ATOM 745 CB PHE A 55 -2.205 -4.309 -7.473 1.00 10.00 C ATOM 746 CG PHE A 55 -2.759 -3.292 -8.442 1.00 10.00 C ATOM 747 CD1 PHE A 55 -4.005 -3.477 -9.013 1.00 10.00 C ATOM 748 CD2 PHE A 55 -2.035 -2.160 -8.781 1.00 10.00 C ATOM 749 CE1 PHE A 55 -4.523 -2.555 -9.901 1.00 10.00 C ATOM 750 CE2 PHE A 55 -2.547 -1.233 -9.669 1.00 10.00 C ATOM 751 CZ PHE A 55 -3.792 -1.431 -10.229 1.00 10.00 C ATOM 0 H PHE A 55 -1.296 -2.858 -5.234 1.00 10.00 H new ATOM 0 HA PHE A 55 -3.796 -4.165 -6.063 1.00 10.00 H new ATOM 0 HB2 PHE A 55 -1.117 -4.246 -7.478 1.00 10.00 H new ATOM 0 HB3 PHE A 55 -2.468 -5.308 -7.821 1.00 10.00 H new ATOM 0 HD1 PHE A 55 -4.581 -4.355 -8.761 1.00 10.00 H new ATOM 0 HD2 PHE A 55 -1.059 -2.000 -8.346 1.00 10.00 H new ATOM 0 HE1 PHE A 55 -5.498 -2.713 -10.338 1.00 10.00 H new ATOM 0 HE2 PHE A 55 -1.973 -0.355 -9.924 1.00 10.00 H new ATOM 0 HZ PHE A 55 -4.194 -0.708 -10.923 1.00 10.00 H new ATOM 761 N TYR A 56 -3.081 -5.832 -4.423 1.00 10.00 N ATOM 762 CA TYR A 56 -2.763 -6.893 -3.519 1.00 10.00 C ATOM 763 C TYR A 56 -3.330 -8.172 -4.113 1.00 10.00 C ATOM 764 O TYR A 56 -4.488 -8.223 -4.518 1.00 10.00 O ATOM 765 CB TYR A 56 -3.363 -6.563 -2.110 1.00 10.00 C ATOM 766 CG TYR A 56 -3.095 -7.550 -0.943 1.00 10.00 C ATOM 767 CD1 TYR A 56 -2.395 -8.739 -1.114 1.00 10.00 C ATOM 768 CD2 TYR A 56 -3.585 -7.275 0.333 1.00 10.00 C ATOM 769 CE1 TYR A 56 -2.197 -9.629 -0.075 1.00 10.00 C ATOM 770 CE2 TYR A 56 -3.385 -8.153 1.383 1.00 10.00 C ATOM 771 CZ TYR A 56 -2.699 -9.328 1.174 1.00 10.00 C ATOM 772 OH TYR A 56 -2.528 -10.206 2.215 1.00 10.00 O ATOM 0 H TYR A 56 -4.070 -5.584 -4.439 1.00 10.00 H new ATOM 0 HA TYR A 56 -1.688 -7.015 -3.383 1.00 10.00 H new ATOM 0 HB2 TYR A 56 -2.987 -5.585 -1.810 1.00 10.00 H new ATOM 0 HB3 TYR A 56 -4.443 -6.468 -2.223 1.00 10.00 H new ATOM 0 HD1 TYR A 56 -1.994 -8.975 -2.089 1.00 10.00 H new ATOM 0 HD2 TYR A 56 -4.131 -6.359 0.505 1.00 10.00 H new ATOM 0 HE1 TYR A 56 -1.656 -10.549 -0.239 1.00 10.00 H new ATOM 0 HE2 TYR A 56 -3.767 -7.917 2.365 1.00 10.00 H new ATOM 0 HH TYR A 56 -2.942 -9.839 3.024 1.00 10.00 H new ATOM 782 N SER A 57 -2.496 -9.151 -4.228 1.00 10.00 N ATOM 783 CA SER A 57 -2.824 -10.426 -4.681 1.00 10.00 C ATOM 784 C SER A 57 -2.314 -11.255 -3.569 1.00 10.00 C ATOM 785 O SER A 57 -1.337 -10.844 -2.950 1.00 10.00 O ATOM 786 CB SER A 57 -2.065 -10.701 -5.971 1.00 10.00 C ATOM 787 OG SER A 57 -2.281 -9.636 -6.884 1.00 10.00 O ATOM 0 H SER A 57 -1.509 -9.057 -3.988 1.00 10.00 H new ATOM 0 HA SER A 57 -3.877 -10.596 -4.906 1.00 10.00 H new ATOM 0 HB2 SER A 57 -1.000 -10.806 -5.763 1.00 10.00 H new ATOM 0 HB3 SER A 57 -2.399 -11.642 -6.408 1.00 10.00 H new ATOM 0 HG SER A 57 -1.791 -9.812 -7.714 1.00 10.00 H new ATOM 793 N GLN A 58 -2.952 -12.330 -3.264 1.00 10.00 N ATOM 794 CA GLN A 58 -2.605 -13.108 -2.103 1.00 10.00 C ATOM 795 C GLN A 58 -1.158 -13.600 -2.168 1.00 10.00 C ATOM 796 O GLN A 58 -0.823 -14.566 -2.871 1.00 10.00 O ATOM 797 CB GLN A 58 -3.593 -14.218 -1.948 1.00 10.00 C ATOM 798 CG GLN A 58 -3.327 -15.170 -0.795 1.00 10.00 C ATOM 799 CD GLN A 58 -4.520 -16.044 -0.479 1.00 10.00 C ATOM 800 OE1 GLN A 58 -5.669 -15.637 -0.665 1.00 10.00 O ATOM 801 NE2 GLN A 58 -4.273 -17.223 0.009 1.00 10.00 N ATOM 0 H GLN A 58 -3.731 -12.704 -3.806 1.00 10.00 H new ATOM 0 HA GLN A 58 -2.657 -12.481 -1.213 1.00 10.00 H new ATOM 0 HB2 GLN A 58 -4.584 -13.784 -1.817 1.00 10.00 H new ATOM 0 HB3 GLN A 58 -3.616 -14.793 -2.874 1.00 10.00 H new ATOM 0 HG2 GLN A 58 -2.473 -15.801 -1.039 1.00 10.00 H new ATOM 0 HG3 GLN A 58 -3.056 -14.596 0.091 1.00 10.00 H new ATOM 0 HE21 GLN A 58 -3.309 -17.525 0.149 1.00 10.00 H new ATOM 0 HE22 GLN A 58 -5.043 -17.846 0.252 1.00 10.00 H new ATOM 810 N GLY A 59 -0.321 -12.871 -1.476 1.00 10.00 N ATOM 811 CA GLY A 59 1.074 -13.100 -1.481 1.00 10.00 C ATOM 812 C GLY A 59 1.795 -11.815 -1.821 1.00 10.00 C ATOM 813 O GLY A 59 2.248 -11.097 -0.928 1.00 10.00 O ATOM 0 H GLY A 59 -0.610 -12.090 -0.887 1.00 10.00 H new ATOM 0 HA2 GLY A 59 1.397 -13.464 -0.506 1.00 10.00 H new ATOM 0 HA3 GLY A 59 1.324 -13.873 -2.208 1.00 10.00 H new ATOM 817 N VAL A 60 1.861 -11.497 -3.102 1.00 10.00 N ATOM 818 CA VAL A 60 2.496 -10.276 -3.549 1.00 10.00 C ATOM 819 C VAL A 60 1.614 -9.058 -3.287 1.00 10.00 C ATOM 820 O VAL A 60 0.541 -8.853 -3.886 1.00 10.00 O ATOM 821 CB VAL A 60 3.001 -10.336 -5.027 1.00 10.00 C ATOM 822 CG1 VAL A 60 1.876 -10.651 -6.004 1.00 10.00 C ATOM 823 CG2 VAL A 60 3.713 -9.040 -5.420 1.00 10.00 C ATOM 0 H VAL A 60 1.479 -12.073 -3.852 1.00 10.00 H new ATOM 0 HA VAL A 60 3.397 -10.167 -2.945 1.00 10.00 H new ATOM 0 HB VAL A 60 3.720 -11.154 -5.084 1.00 10.00 H new ATOM 0 HG11 VAL A 60 2.273 -10.683 -7.019 1.00 10.00 H new ATOM 0 HG12 VAL A 60 1.438 -11.618 -5.755 1.00 10.00 H new ATOM 0 HG13 VAL A 60 1.110 -9.878 -5.938 1.00 10.00 H new ATOM 0 HG21 VAL A 60 4.053 -9.111 -6.453 1.00 10.00 H new ATOM 0 HG22 VAL A 60 3.023 -8.202 -5.322 1.00 10.00 H new ATOM 0 HG23 VAL A 60 4.570 -8.883 -4.766 1.00 10.00 H new ATOM 833 N PHE A 61 2.063 -8.298 -2.365 1.00 10.00 N ATOM 834 CA PHE A 61 1.403 -7.141 -1.912 1.00 10.00 C ATOM 835 C PHE A 61 2.109 -5.928 -2.540 1.00 10.00 C ATOM 836 O PHE A 61 3.250 -5.618 -2.187 1.00 10.00 O ATOM 837 CB PHE A 61 1.637 -7.197 -0.428 1.00 10.00 C ATOM 838 CG PHE A 61 0.808 -6.406 0.491 1.00 10.00 C ATOM 839 CD1 PHE A 61 -0.306 -5.693 0.091 1.00 10.00 C ATOM 840 CD2 PHE A 61 1.143 -6.446 1.817 1.00 10.00 C ATOM 841 CE1 PHE A 61 -1.060 -5.026 1.032 1.00 10.00 C ATOM 842 CE2 PHE A 61 0.424 -5.819 2.748 1.00 10.00 C ATOM 843 CZ PHE A 61 -0.690 -5.098 2.364 1.00 10.00 C ATOM 0 H PHE A 61 2.944 -8.476 -1.883 1.00 10.00 H new ATOM 0 HA PHE A 61 0.344 -7.072 -2.163 1.00 10.00 H new ATOM 0 HB2 PHE A 61 1.543 -8.241 -0.127 1.00 10.00 H new ATOM 0 HB3 PHE A 61 2.674 -6.907 -0.255 1.00 10.00 H new ATOM 0 HD1 PHE A 61 -0.584 -5.659 -0.952 1.00 10.00 H new ATOM 0 HD2 PHE A 61 2.018 -7.003 2.119 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -1.927 -4.455 0.735 1.00 10.00 H new ATOM 0 HE2 PHE A 61 0.709 -5.874 3.788 1.00 10.00 H new ATOM 0 HZ PHE A 61 -1.278 -4.585 3.111 1.00 10.00 H new ATOM 853 N PHE A 62 1.466 -5.278 -3.476 1.00 10.00 N ATOM 854 CA PHE A 62 2.055 -4.127 -4.143 1.00 10.00 C ATOM 855 C PHE A 62 1.247 -2.893 -3.833 1.00 10.00 C ATOM 856 O PHE A 62 0.038 -2.871 -4.046 1.00 10.00 O ATOM 857 CB PHE A 62 2.118 -4.353 -5.675 1.00 10.00 C ATOM 858 CG PHE A 62 2.679 -3.179 -6.460 1.00 10.00 C ATOM 859 CD1 PHE A 62 4.043 -3.034 -6.632 1.00 10.00 C ATOM 860 CD2 PHE A 62 1.834 -2.221 -7.022 1.00 10.00 C ATOM 861 CE1 PHE A 62 4.561 -1.965 -7.339 1.00 10.00 C ATOM 862 CE2 PHE A 62 2.348 -1.151 -7.730 1.00 10.00 C ATOM 863 CZ PHE A 62 3.714 -1.024 -7.889 1.00 10.00 C ATOM 0 H PHE A 62 0.530 -5.521 -3.800 1.00 10.00 H new ATOM 0 HA PHE A 62 3.073 -3.993 -3.776 1.00 10.00 H new ATOM 0 HB2 PHE A 62 2.729 -5.233 -5.875 1.00 10.00 H new ATOM 0 HB3 PHE A 62 1.114 -4.572 -6.039 1.00 10.00 H new ATOM 0 HD1 PHE A 62 4.714 -3.767 -6.208 1.00 10.00 H new ATOM 0 HD2 PHE A 62 0.765 -2.317 -6.902 1.00 10.00 H new ATOM 0 HE1 PHE A 62 5.629 -1.866 -7.461 1.00 10.00 H new ATOM 0 HE2 PHE A 62 1.683 -0.416 -8.158 1.00 10.00 H new ATOM 0 HZ PHE A 62 4.119 -0.190 -8.443 1.00 10.00 H new ATOM 873 N GLN A 63 1.890 -1.886 -3.326 1.00 10.00 N ATOM 874 CA GLN A 63 1.224 -0.640 -3.016 1.00 10.00 C ATOM 875 C GLN A 63 2.106 0.481 -3.430 1.00 10.00 C ATOM 876 O GLN A 63 3.334 0.344 -3.381 1.00 10.00 O ATOM 877 CB GLN A 63 1.009 -0.467 -1.533 1.00 10.00 C ATOM 878 CG GLN A 63 0.285 -1.566 -0.805 1.00 10.00 C ATOM 879 CD GLN A 63 0.089 -1.160 0.614 1.00 10.00 C ATOM 880 OE1 GLN A 63 0.872 -0.411 1.144 1.00 10.00 O ATOM 881 NE2 GLN A 63 -0.939 -1.638 1.247 1.00 10.00 N ATOM 0 H GLN A 63 2.887 -1.896 -3.113 1.00 10.00 H new ATOM 0 HA GLN A 63 0.264 -0.648 -3.532 1.00 10.00 H new ATOM 0 HB2 GLN A 63 1.985 -0.338 -1.064 1.00 10.00 H new ATOM 0 HB3 GLN A 63 0.457 0.460 -1.379 1.00 10.00 H new ATOM 0 HG2 GLN A 63 -0.678 -1.760 -1.278 1.00 10.00 H new ATOM 0 HG3 GLN A 63 0.857 -2.492 -0.856 1.00 10.00 H new ATOM 0 HE21 GLN A 63 -1.583 -2.269 0.771 1.00 10.00 H new ATOM 0 HE22 GLN A 63 -1.103 -1.382 2.221 1.00 10.00 H new ATOM 890 N TRP A 64 1.537 1.566 -3.859 1.00 10.00 N ATOM 891 CA TRP A 64 2.323 2.719 -4.087 1.00 10.00 C ATOM 892 C TRP A 64 1.531 3.953 -3.699 1.00 10.00 C ATOM 893 O TRP A 64 0.297 3.901 -3.605 1.00 10.00 O ATOM 894 CB TRP A 64 2.853 2.788 -5.515 1.00 10.00 C ATOM 895 CG TRP A 64 2.008 3.340 -6.590 1.00 10.00 C ATOM 896 CD1 TRP A 64 2.247 4.502 -7.235 1.00 10.00 C ATOM 897 CD2 TRP A 64 0.840 2.785 -7.180 1.00 10.00 C ATOM 898 NE1 TRP A 64 1.345 4.693 -8.212 1.00 10.00 N ATOM 899 CE2 TRP A 64 0.451 3.665 -8.198 1.00 10.00 C ATOM 900 CE3 TRP A 64 0.088 1.638 -6.962 1.00 10.00 C ATOM 901 CZ2 TRP A 64 -0.642 3.433 -8.993 1.00 10.00 C ATOM 902 CZ3 TRP A 64 -1.017 1.422 -7.753 1.00 10.00 C ATOM 903 CH2 TRP A 64 -1.367 2.317 -8.758 1.00 10.00 C ATOM 0 H TRP A 64 0.541 1.668 -4.054 1.00 10.00 H new ATOM 0 HA TRP A 64 3.210 2.666 -3.456 1.00 10.00 H new ATOM 0 HB2 TRP A 64 3.772 3.374 -5.492 1.00 10.00 H new ATOM 0 HB3 TRP A 64 3.129 1.775 -5.808 1.00 10.00 H new ATOM 0 HD1 TRP A 64 3.051 5.183 -6.998 1.00 10.00 H new ATOM 0 HE1 TRP A 64 1.332 5.481 -8.860 1.00 10.00 H new ATOM 0 HE3 TRP A 64 0.363 0.933 -6.191 1.00 10.00 H new ATOM 0 HZ2 TRP A 64 -0.914 4.120 -9.781 1.00 10.00 H new ATOM 0 HZ3 TRP A 64 -1.623 0.543 -7.591 1.00 10.00 H new ATOM 0 HH2 TRP A 64 -2.238 2.116 -9.364 1.00 10.00 H new ATOM 914 N LEU A 65 2.203 5.040 -3.489 1.00 10.00 N ATOM 915 CA LEU A 65 1.550 6.250 -3.074 1.00 10.00 C ATOM 916 C LEU A 65 2.208 7.461 -3.696 1.00 10.00 C ATOM 917 O LEU A 65 3.436 7.498 -3.847 1.00 10.00 O ATOM 918 CB LEU A 65 1.537 6.390 -1.536 1.00 10.00 C ATOM 919 CG LEU A 65 2.902 6.402 -0.843 1.00 10.00 C ATOM 920 CD1 LEU A 65 2.782 7.039 0.509 1.00 10.00 C ATOM 921 CD2 LEU A 65 3.482 4.996 -0.681 1.00 10.00 C ATOM 0 H LEU A 65 3.214 5.119 -3.598 1.00 10.00 H new ATOM 0 HA LEU A 65 0.518 6.193 -3.420 1.00 10.00 H new ATOM 0 HB2 LEU A 65 1.016 7.313 -1.281 1.00 10.00 H new ATOM 0 HB3 LEU A 65 0.951 5.569 -1.123 1.00 10.00 H new ATOM 0 HG LEU A 65 3.579 6.975 -1.477 1.00 10.00 H new ATOM 0 HD11 LEU A 65 3.757 7.044 0.997 1.00 10.00 H new ATOM 0 HD12 LEU A 65 2.426 8.063 0.398 1.00 10.00 H new ATOM 0 HD13 LEU A 65 2.076 6.473 1.116 1.00 10.00 H new ATOM 0 HD21 LEU A 65 4.450 5.057 -0.184 1.00 10.00 H new ATOM 0 HD22 LEU A 65 2.804 4.390 -0.081 1.00 10.00 H new ATOM 0 HD23 LEU A 65 3.606 4.538 -1.662 1.00 10.00 H new ATOM 933 N GLU A 66 1.403 8.423 -4.068 1.00 10.00 N ATOM 934 CA GLU A 66 1.866 9.657 -4.625 1.00 10.00 C ATOM 935 C GLU A 66 1.703 10.730 -3.561 1.00 10.00 C ATOM 936 O GLU A 66 0.614 10.905 -3.015 1.00 10.00 O ATOM 937 CB GLU A 66 1.004 10.091 -5.792 1.00 10.00 C ATOM 938 CG GLU A 66 0.698 9.091 -6.878 1.00 10.00 C ATOM 939 CD GLU A 66 0.033 9.799 -8.041 1.00 10.00 C ATOM 940 OE1 GLU A 66 -1.174 10.180 -7.939 1.00 10.00 O ATOM 941 OE2 GLU A 66 0.716 10.038 -9.046 1.00 10.00 O ATOM 0 H GLU A 66 0.388 8.364 -3.988 1.00 10.00 H new ATOM 0 HA GLU A 66 2.897 9.523 -4.953 1.00 10.00 H new ATOM 0 HB2 GLU A 66 0.054 10.442 -5.389 1.00 10.00 H new ATOM 0 HB3 GLU A 66 1.488 10.949 -6.259 1.00 10.00 H new ATOM 0 HG2 GLU A 66 1.616 8.606 -7.210 1.00 10.00 H new ATOM 0 HG3 GLU A 66 0.045 8.308 -6.493 1.00 10.00 H new ATOM 948 N GLY A 67 2.745 11.416 -3.254 1.00 10.00 N ATOM 949 CA GLY A 67 2.663 12.462 -2.278 1.00 10.00 C ATOM 950 C GLY A 67 3.907 13.301 -2.303 1.00 10.00 C ATOM 951 O GLY A 67 4.811 13.007 -3.076 1.00 10.00 O ATOM 0 H GLY A 67 3.670 11.278 -3.661 1.00 10.00 H new ATOM 0 HA2 GLY A 67 1.792 13.086 -2.477 1.00 10.00 H new ATOM 0 HA3 GLY A 67 2.527 12.032 -1.286 1.00 10.00 H new ATOM 955 N HIS A 68 3.961 14.363 -1.509 1.00 10.00 N ATOM 956 CA HIS A 68 5.209 15.123 -1.388 1.00 10.00 C ATOM 957 C HIS A 68 6.204 14.232 -0.655 1.00 10.00 C ATOM 958 O HIS A 68 5.863 13.709 0.383 1.00 10.00 O ATOM 959 CB HIS A 68 4.997 16.454 -0.609 1.00 10.00 C ATOM 960 CG HIS A 68 6.251 17.136 -0.182 1.00 10.00 C ATOM 961 ND1 HIS A 68 7.052 17.884 -0.863 1.00 10.00 N flip ATOM 962 CD2 HIS A 68 6.806 17.025 1.079 1.00 10.00 C flip ATOM 963 CE1 HIS A 68 8.110 18.231 -0.065 1.00 10.00 C flip ATOM 964 NE2 HIS A 68 7.934 17.690 1.116 1.00 10.00 N flip ATOM 0 H HIS A 68 3.182 14.714 -0.952 1.00 10.00 H new ATOM 0 HA HIS A 68 5.577 15.396 -2.377 1.00 10.00 H new ATOM 0 HB2 HIS A 68 4.424 17.138 -1.235 1.00 10.00 H new ATOM 0 HB3 HIS A 68 4.393 16.249 0.275 1.00 10.00 H new ATOM 0 HD2 HIS A 68 6.377 16.476 1.904 1.00 10.00 H new ATOM 0 HE1 HIS A 68 8.947 18.846 -0.359 1.00 10.00 H new ATOM 0 HE2 HIS A 68 8.560 17.772 1.917 1.00 10.00 H new ATOM 973 N PRO A 69 7.448 14.068 -1.199 1.00 10.00 N ATOM 974 CA PRO A 69 8.494 13.130 -0.723 1.00 10.00 C ATOM 975 C PRO A 69 8.524 12.847 0.780 1.00 10.00 C ATOM 976 O PRO A 69 8.562 11.697 1.189 1.00 10.00 O ATOM 977 CB PRO A 69 9.802 13.786 -1.182 1.00 10.00 C ATOM 978 CG PRO A 69 9.394 14.994 -1.973 1.00 10.00 C ATOM 979 CD PRO A 69 7.966 14.790 -2.351 1.00 10.00 C ATOM 0 HA PRO A 69 8.304 12.138 -1.134 1.00 10.00 H new ATOM 0 HB2 PRO A 69 10.420 14.067 -0.329 1.00 10.00 H new ATOM 0 HB3 PRO A 69 10.392 13.100 -1.790 1.00 10.00 H new ATOM 0 HG2 PRO A 69 9.513 15.903 -1.383 1.00 10.00 H new ATOM 0 HG3 PRO A 69 10.018 15.106 -2.860 1.00 10.00 H new ATOM 0 HD2 PRO A 69 7.446 15.735 -2.507 1.00 10.00 H new ATOM 0 HD3 PRO A 69 7.866 14.215 -3.272 1.00 10.00 H new ATOM 987 N ALA A 70 8.444 13.870 1.597 1.00 10.00 N ATOM 988 CA ALA A 70 8.529 13.670 3.035 1.00 10.00 C ATOM 989 C ALA A 70 7.312 13.026 3.640 1.00 10.00 C ATOM 990 O ALA A 70 7.410 12.349 4.658 1.00 10.00 O ATOM 991 CB ALA A 70 8.904 14.911 3.762 1.00 10.00 C ATOM 0 H ALA A 70 8.322 14.839 1.302 1.00 10.00 H new ATOM 0 HA ALA A 70 9.340 12.953 3.163 1.00 10.00 H new ATOM 0 HB1 ALA A 70 8.953 14.705 4.831 1.00 10.00 H new ATOM 0 HB2 ALA A 70 9.877 15.257 3.414 1.00 10.00 H new ATOM 0 HB3 ALA A 70 8.157 15.682 3.575 1.00 10.00 H new ATOM 997 N ALA A 71 6.198 13.221 3.033 1.00 10.00 N ATOM 998 CA ALA A 71 4.979 12.602 3.480 1.00 10.00 C ATOM 999 C ALA A 71 5.061 11.133 3.191 1.00 10.00 C ATOM 1000 O ALA A 71 4.701 10.284 4.009 1.00 10.00 O ATOM 1001 CB ALA A 71 3.841 13.160 2.716 1.00 10.00 C ATOM 0 H ALA A 71 6.093 13.814 2.209 1.00 10.00 H new ATOM 0 HA ALA A 71 4.840 12.782 4.546 1.00 10.00 H new ATOM 0 HB1 ALA A 71 2.914 12.694 3.051 1.00 10.00 H new ATOM 0 HB2 ALA A 71 3.786 14.236 2.880 1.00 10.00 H new ATOM 0 HB3 ALA A 71 3.984 12.961 1.654 1.00 10.00 H new ATOM 1007 N VAL A 72 5.577 10.862 2.014 1.00 10.00 N ATOM 1008 CA VAL A 72 5.764 9.527 1.510 1.00 10.00 C ATOM 1009 C VAL A 72 6.756 8.839 2.409 1.00 10.00 C ATOM 1010 O VAL A 72 6.572 7.710 2.788 1.00 10.00 O ATOM 1011 CB VAL A 72 6.366 9.544 0.079 1.00 10.00 C ATOM 1012 CG1 VAL A 72 6.010 8.318 -0.657 1.00 10.00 C ATOM 1013 CG2 VAL A 72 5.968 10.755 -0.712 1.00 10.00 C ATOM 0 H VAL A 72 5.886 11.586 1.366 1.00 10.00 H new ATOM 0 HA VAL A 72 4.799 9.020 1.483 1.00 10.00 H new ATOM 0 HB VAL A 72 7.448 9.587 0.206 1.00 10.00 H new ATOM 0 HG11 VAL A 72 6.444 8.355 -1.656 1.00 10.00 H new ATOM 0 HG12 VAL A 72 6.397 7.449 -0.125 1.00 10.00 H new ATOM 0 HG13 VAL A 72 4.925 8.242 -0.735 1.00 10.00 H new ATOM 0 HG21 VAL A 72 6.421 10.708 -1.702 1.00 10.00 H new ATOM 0 HG22 VAL A 72 4.883 10.785 -0.810 1.00 10.00 H new ATOM 0 HG23 VAL A 72 6.311 11.654 -0.199 1.00 10.00 H new ATOM 1023 N ALA A 73 7.793 9.561 2.767 1.00 10.00 N ATOM 1024 CA ALA A 73 8.828 9.053 3.618 1.00 10.00 C ATOM 1025 C ALA A 73 8.375 8.857 5.037 1.00 10.00 C ATOM 1026 O ALA A 73 8.879 7.983 5.708 1.00 10.00 O ATOM 1027 CB ALA A 73 10.009 9.927 3.605 1.00 10.00 C ATOM 0 H ALA A 73 7.937 10.526 2.469 1.00 10.00 H new ATOM 0 HA ALA A 73 9.090 8.077 3.210 1.00 10.00 H new ATOM 0 HB1 ALA A 73 10.775 9.513 4.261 1.00 10.00 H new ATOM 0 HB2 ALA A 73 10.399 9.996 2.590 1.00 10.00 H new ATOM 0 HB3 ALA A 73 9.730 10.921 3.955 1.00 10.00 H new ATOM 1033 N GLU A 74 7.478 9.701 5.522 1.00 10.00 N ATOM 1034 CA GLU A 74 6.879 9.497 6.848 1.00 10.00 C ATOM 1035 C GLU A 74 6.232 8.133 6.823 1.00 10.00 C ATOM 1036 O GLU A 74 6.449 7.289 7.702 1.00 10.00 O ATOM 1037 CB GLU A 74 5.792 10.526 7.142 1.00 10.00 C ATOM 1038 CG GLU A 74 5.301 10.482 8.579 1.00 10.00 C ATOM 1039 CD GLU A 74 3.869 10.909 8.728 1.00 10.00 C ATOM 1040 OE1 GLU A 74 3.488 11.999 8.267 1.00 10.00 O ATOM 1041 OE2 GLU A 74 3.067 10.117 9.278 1.00 10.00 O ATOM 0 H GLU A 74 7.145 10.529 5.029 1.00 10.00 H new ATOM 0 HA GLU A 74 7.651 9.592 7.612 1.00 10.00 H new ATOM 0 HB2 GLU A 74 6.176 11.523 6.926 1.00 10.00 H new ATOM 0 HB3 GLU A 74 4.949 10.357 6.471 1.00 10.00 H new ATOM 0 HG2 GLU A 74 5.413 9.468 8.964 1.00 10.00 H new ATOM 0 HG3 GLU A 74 5.931 11.127 9.191 1.00 10.00 H new ATOM 1048 N VAL A 75 5.466 7.934 5.768 1.00 10.00 N ATOM 1049 CA VAL A 75 4.818 6.694 5.473 1.00 10.00 C ATOM 1050 C VAL A 75 5.855 5.565 5.387 1.00 10.00 C ATOM 1051 O VAL A 75 5.695 4.541 6.043 1.00 10.00 O ATOM 1052 CB VAL A 75 3.998 6.835 4.160 1.00 10.00 C ATOM 1053 CG1 VAL A 75 3.545 5.511 3.617 1.00 10.00 C ATOM 1054 CG2 VAL A 75 2.795 7.733 4.391 1.00 10.00 C ATOM 0 H VAL A 75 5.279 8.661 5.078 1.00 10.00 H new ATOM 0 HA VAL A 75 4.125 6.437 6.274 1.00 10.00 H new ATOM 0 HB VAL A 75 4.660 7.281 3.418 1.00 10.00 H new ATOM 0 HG11 VAL A 75 2.977 5.669 2.700 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.414 4.889 3.403 1.00 10.00 H new ATOM 0 HG13 VAL A 75 2.914 5.012 4.353 1.00 10.00 H new ATOM 0 HG21 VAL A 75 2.227 7.826 3.465 1.00 10.00 H new ATOM 0 HG22 VAL A 75 2.161 7.300 5.164 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.133 8.719 4.709 1.00 10.00 H new ATOM 1064 N MET A 76 6.928 5.781 4.609 1.00 10.00 N ATOM 1065 CA MET A 76 8.022 4.832 4.495 1.00 10.00 C ATOM 1066 C MET A 76 8.604 4.508 5.839 1.00 10.00 C ATOM 1067 O MET A 76 8.719 3.366 6.170 1.00 10.00 O ATOM 1068 CB MET A 76 9.115 5.352 3.558 1.00 10.00 C ATOM 1069 CG MET A 76 8.667 5.597 2.128 1.00 10.00 C ATOM 1070 SD MET A 76 8.488 4.161 1.047 1.00 10.00 S ATOM 1071 CE MET A 76 7.136 3.291 1.795 1.00 10.00 C ATOM 0 H MET A 76 7.051 6.622 4.045 1.00 10.00 H new ATOM 0 HA MET A 76 7.611 3.917 4.068 1.00 10.00 H new ATOM 0 HB2 MET A 76 9.509 6.283 3.965 1.00 10.00 H new ATOM 0 HB3 MET A 76 9.936 4.636 3.548 1.00 10.00 H new ATOM 0 HG2 MET A 76 7.708 6.114 2.161 1.00 10.00 H new ATOM 0 HG3 MET A 76 9.381 6.279 1.665 1.00 10.00 H new ATOM 0 HE1 MET A 76 6.575 2.760 1.026 1.00 10.00 H new ATOM 0 HE2 MET A 76 7.521 2.576 2.522 1.00 10.00 H new ATOM 0 HE3 MET A 76 6.480 4.001 2.297 1.00 10.00 H new ATOM 1081 N SER A 77 8.924 5.517 6.617 1.00 10.00 N ATOM 1082 CA SER A 77 9.507 5.331 7.931 1.00 10.00 C ATOM 1083 C SER A 77 8.625 4.450 8.805 1.00 10.00 C ATOM 1084 O SER A 77 9.115 3.510 9.387 1.00 10.00 O ATOM 1085 CB SER A 77 9.787 6.684 8.590 1.00 10.00 C ATOM 1086 OG SER A 77 10.586 7.506 7.732 1.00 10.00 O ATOM 0 H SER A 77 8.788 6.494 6.358 1.00 10.00 H new ATOM 0 HA SER A 77 10.459 4.814 7.814 1.00 10.00 H new ATOM 0 HB2 SER A 77 8.846 7.188 8.813 1.00 10.00 H new ATOM 0 HB3 SER A 77 10.300 6.533 9.540 1.00 10.00 H new ATOM 0 HG SER A 77 10.084 7.713 6.916 1.00 10.00 H new ATOM 1092 N HIS A 78 7.320 4.708 8.816 1.00 10.00 N ATOM 1093 CA HIS A 78 6.387 3.863 9.590 1.00 10.00 C ATOM 1094 C HIS A 78 6.422 2.422 9.058 1.00 10.00 C ATOM 1095 O HIS A 78 6.627 1.460 9.787 1.00 10.00 O ATOM 1096 CB HIS A 78 4.930 4.354 9.475 1.00 10.00 C ATOM 1097 CG HIS A 78 4.613 5.725 9.993 1.00 10.00 C ATOM 1098 ND1 HIS A 78 4.905 6.146 11.257 1.00 10.00 N ATOM 1099 CD2 HIS A 78 3.977 6.763 9.397 1.00 10.00 C ATOM 1100 CE1 HIS A 78 4.467 7.380 11.425 1.00 10.00 C ATOM 1101 NE2 HIS A 78 3.900 7.774 10.307 1.00 10.00 N ATOM 0 H HIS A 78 6.881 5.478 8.311 1.00 10.00 H new ATOM 0 HA HIS A 78 6.707 3.915 10.631 1.00 10.00 H new ATOM 0 HB2 HIS A 78 4.647 4.319 8.423 1.00 10.00 H new ATOM 0 HB3 HIS A 78 4.294 3.642 10.000 1.00 10.00 H new ATOM 0 HD2 HIS A 78 3.600 6.785 8.385 1.00 10.00 H new ATOM 0 HE1 HIS A 78 4.559 7.966 12.328 1.00 10.00 H new ATOM 0 HE2 HIS A 78 3.473 8.686 10.147 1.00 10.00 H new ATOM 1110 N ILE A 79 6.266 2.331 7.770 1.00 10.00 N ATOM 1111 CA ILE A 79 6.159 1.104 7.016 1.00 10.00 C ATOM 1112 C ILE A 79 7.411 0.214 7.038 1.00 10.00 C ATOM 1113 O ILE A 79 7.295 -1.027 7.128 1.00 10.00 O ATOM 1114 CB ILE A 79 5.686 1.472 5.596 1.00 10.00 C ATOM 1115 CG1 ILE A 79 4.170 1.619 5.549 1.00 10.00 C ATOM 1116 CG2 ILE A 79 6.248 0.620 4.508 1.00 10.00 C ATOM 1117 CD1 ILE A 79 3.641 2.076 4.227 1.00 10.00 C ATOM 0 H ILE A 79 6.206 3.158 7.177 1.00 10.00 H new ATOM 0 HA ILE A 79 5.424 0.462 7.502 1.00 10.00 H new ATOM 0 HB ILE A 79 6.113 2.450 5.375 1.00 10.00 H new ATOM 0 HG12 ILE A 79 3.715 0.660 5.798 1.00 10.00 H new ATOM 0 HG13 ILE A 79 3.861 2.328 6.317 1.00 10.00 H new ATOM 0 HG21 ILE A 79 5.858 0.954 3.546 1.00 10.00 H new ATOM 0 HG22 ILE A 79 7.335 0.701 4.507 1.00 10.00 H new ATOM 0 HG23 ILE A 79 5.962 -0.418 4.674 1.00 10.00 H new ATOM 0 HD11 ILE A 79 2.555 2.155 4.277 1.00 10.00 H new ATOM 0 HD12 ILE A 79 4.065 3.050 3.982 1.00 10.00 H new ATOM 0 HD13 ILE A 79 3.917 1.356 3.456 1.00 10.00 H new ATOM 1129 N GLN A 80 8.560 0.819 6.889 1.00 10.00 N ATOM 1130 CA GLN A 80 9.833 0.156 6.964 1.00 10.00 C ATOM 1131 C GLN A 80 10.134 -0.405 8.380 1.00 10.00 C ATOM 1132 O GLN A 80 11.044 -1.203 8.553 1.00 10.00 O ATOM 1133 CB GLN A 80 10.916 1.091 6.424 1.00 10.00 C ATOM 1134 CG GLN A 80 10.666 1.479 4.954 1.00 10.00 C ATOM 1135 CD GLN A 80 10.714 0.323 4.075 1.00 10.00 C ATOM 1136 OE1 GLN A 80 9.634 -0.253 3.876 1.00 10.00 O flip ATOM 1137 NE2 GLN A 80 11.758 -0.036 3.553 1.00 10.00 N flip ATOM 0 H GLN A 80 8.637 1.820 6.706 1.00 10.00 H new ATOM 0 HA GLN A 80 9.813 -0.732 6.332 1.00 10.00 H new ATOM 0 HB2 GLN A 80 10.954 1.993 7.035 1.00 10.00 H new ATOM 0 HB3 GLN A 80 11.889 0.607 6.510 1.00 10.00 H new ATOM 0 HG2 GLN A 80 9.693 1.962 4.866 1.00 10.00 H new ATOM 0 HG3 GLN A 80 11.413 2.207 4.638 1.00 10.00 H new ATOM 0 HE21 GLN A 80 12.624 0.468 3.745 1.00 10.00 H new ATOM 0 HE22 GLN A 80 11.764 -0.840 2.925 1.00 10.00 H new ATOM 1146 N ARG A 81 9.348 0.007 9.381 1.00 10.00 N ATOM 1147 CA ARG A 81 9.366 -0.638 10.717 1.00 10.00 C ATOM 1148 C ARG A 81 8.447 -1.882 10.715 1.00 10.00 C ATOM 1149 O ARG A 81 7.883 -2.261 11.739 1.00 10.00 O ATOM 1150 CB ARG A 81 8.928 0.343 11.819 1.00 10.00 C ATOM 1151 CG ARG A 81 10.038 1.225 12.390 1.00 10.00 C ATOM 1152 CD ARG A 81 10.737 2.037 11.334 1.00 10.00 C ATOM 1153 NE ARG A 81 11.755 2.936 11.876 1.00 10.00 N ATOM 1154 CZ ARG A 81 12.331 3.926 11.182 1.00 10.00 C ATOM 1155 NH1 ARG A 81 12.033 4.109 9.904 1.00 10.00 N ATOM 1156 NH2 ARG A 81 13.217 4.713 11.758 1.00 10.00 N ATOM 0 H ARG A 81 8.690 0.782 9.301 1.00 10.00 H new ATOM 0 HA ARG A 81 10.390 -0.946 10.930 1.00 10.00 H new ATOM 0 HB2 ARG A 81 8.145 0.987 11.418 1.00 10.00 H new ATOM 0 HB3 ARG A 81 8.485 -0.228 12.635 1.00 10.00 H new ATOM 0 HG2 ARG A 81 9.615 1.896 13.137 1.00 10.00 H new ATOM 0 HG3 ARG A 81 10.768 0.598 12.902 1.00 10.00 H new ATOM 0 HD2 ARG A 81 11.203 1.362 10.616 1.00 10.00 H new ATOM 0 HD3 ARG A 81 9.998 2.623 10.788 1.00 10.00 H new ATOM 0 HE ARG A 81 12.045 2.800 12.844 1.00 10.00 H new ATOM 0 HH11 ARG A 81 11.362 3.494 9.444 1.00 10.00 H new ATOM 0 HH12 ARG A 81 12.475 4.865 9.380 1.00 10.00 H new ATOM 0 HH21 ARG A 81 13.467 4.569 12.736 1.00 10.00 H new ATOM 0 HH22 ARG A 81 13.653 5.466 11.225 1.00 10.00 H new ATOM 1170 N ASP A 82 8.333 -2.484 9.529 1.00 10.00 N ATOM 1171 CA ASP A 82 7.566 -3.708 9.223 1.00 10.00 C ATOM 1172 C ASP A 82 7.361 -4.736 10.319 1.00 10.00 C ATOM 1173 O ASP A 82 8.231 -5.048 11.137 1.00 10.00 O ATOM 1174 CB ASP A 82 7.983 -4.332 7.889 1.00 10.00 C ATOM 1175 CG ASP A 82 7.576 -5.782 7.689 1.00 10.00 C ATOM 1176 OD1 ASP A 82 6.368 -6.058 7.708 1.00 10.00 O ATOM 1177 OD2 ASP A 82 8.442 -6.638 7.496 1.00 10.00 O ATOM 0 H ASP A 82 8.800 -2.112 8.702 1.00 10.00 H new ATOM 0 HA ASP A 82 6.554 -3.313 9.133 1.00 10.00 H new ATOM 0 HB2 ASP A 82 7.556 -3.738 7.081 1.00 10.00 H new ATOM 0 HB3 ASP A 82 9.067 -4.261 7.798 1.00 10.00 H new ATOM 1182 N ARG A 83 6.196 -5.327 10.203 1.00 10.00 N ATOM 1183 CA ARG A 83 5.560 -6.158 11.175 1.00 10.00 C ATOM 1184 C ARG A 83 4.177 -6.531 10.601 1.00 10.00 C ATOM 1185 O ARG A 83 3.669 -7.621 10.788 1.00 10.00 O ATOM 1186 CB ARG A 83 5.433 -5.341 12.465 1.00 10.00 C ATOM 1187 CG ARG A 83 4.796 -3.975 12.233 1.00 10.00 C ATOM 1188 CD ARG A 83 5.017 -3.046 13.398 1.00 10.00 C ATOM 1189 NE ARG A 83 4.600 -3.617 14.680 1.00 10.00 N ATOM 1190 CZ ARG A 83 4.432 -2.903 15.792 1.00 10.00 C ATOM 1191 NH1 ARG A 83 4.472 -1.586 15.735 1.00 10.00 N ATOM 1192 NH2 ARG A 83 4.207 -3.512 16.943 1.00 10.00 N ATOM 0 H ARG A 83 5.632 -5.226 9.359 1.00 10.00 H new ATOM 0 HA ARG A 83 6.117 -7.069 11.395 1.00 10.00 H new ATOM 0 HB2 ARG A 83 4.836 -5.899 13.187 1.00 10.00 H new ATOM 0 HB3 ARG A 83 6.421 -5.207 12.905 1.00 10.00 H new ATOM 0 HG2 ARG A 83 5.212 -3.529 11.329 1.00 10.00 H new ATOM 0 HG3 ARG A 83 3.726 -4.097 12.064 1.00 10.00 H new ATOM 0 HD2 ARG A 83 6.074 -2.785 13.451 1.00 10.00 H new ATOM 0 HD3 ARG A 83 4.469 -2.120 13.225 1.00 10.00 H new ATOM 0 HE ARG A 83 4.428 -4.621 14.724 1.00 10.00 H new ATOM 0 HH11 ARG A 83 4.631 -1.119 14.842 1.00 10.00 H new ATOM 0 HH12 ARG A 83 4.344 -1.035 16.584 1.00 10.00 H new ATOM 0 HH21 ARG A 83 4.162 -4.530 16.981 1.00 10.00 H new ATOM 0 HH22 ARG A 83 4.079 -2.964 17.794 1.00 10.00 H new ATOM 1206 N ARG A 84 3.606 -5.585 9.859 1.00 10.00 N ATOM 1207 CA ARG A 84 2.310 -5.733 9.237 1.00 10.00 C ATOM 1208 C ARG A 84 2.378 -6.105 7.750 1.00 10.00 C ATOM 1209 O ARG A 84 1.418 -5.899 7.033 1.00 10.00 O ATOM 1210 CB ARG A 84 1.601 -4.436 9.265 1.00 10.00 C ATOM 1211 CG ARG A 84 0.532 -4.256 10.278 1.00 10.00 C ATOM 1212 CD ARG A 84 0.994 -4.110 11.687 1.00 10.00 C ATOM 1213 NE ARG A 84 -0.192 -3.975 12.475 1.00 10.00 N ATOM 1214 CZ ARG A 84 -0.360 -3.327 13.622 1.00 10.00 C ATOM 1215 NH1 ARG A 84 0.651 -2.678 14.207 1.00 10.00 N ATOM 1216 NH2 ARG A 84 -1.564 -3.316 14.168 1.00 10.00 N ATOM 0 H ARG A 84 4.045 -4.683 9.675 1.00 10.00 H new ATOM 0 HA ARG A 84 1.814 -6.526 9.796 1.00 10.00 H new ATOM 0 HB2 ARG A 84 2.343 -3.652 9.417 1.00 10.00 H new ATOM 0 HB3 ARG A 84 1.161 -4.273 8.281 1.00 10.00 H new ATOM 0 HG2 ARG A 84 -0.050 -3.373 10.013 1.00 10.00 H new ATOM 0 HG3 ARG A 84 -0.143 -5.110 10.223 1.00 10.00 H new ATOM 0 HD2 ARG A 84 1.574 -4.978 12.000 1.00 10.00 H new ATOM 0 HD3 ARG A 84 1.639 -3.238 11.799 1.00 10.00 H new ATOM 0 HE ARG A 84 -1.022 -4.440 12.106 1.00 10.00 H new ATOM 0 HH11 ARG A 84 1.574 -2.674 13.773 1.00 10.00 H new ATOM 0 HH12 ARG A 84 0.500 -2.187 15.088 1.00 10.00 H new ATOM 0 HH21 ARG A 84 -2.337 -3.798 13.709 1.00 10.00 H new ATOM 0 HH22 ARG A 84 -1.720 -2.826 15.049 1.00 10.00 H new ATOM 1230 N HIS A 85 3.479 -6.574 7.281 1.00 10.00 N ATOM 1231 CA HIS A 85 3.616 -6.976 5.895 1.00 10.00 C ATOM 1232 C HIS A 85 4.856 -7.770 5.761 1.00 10.00 C ATOM 1233 O HIS A 85 5.340 -8.287 6.741 1.00 10.00 O ATOM 1234 CB HIS A 85 3.513 -5.786 4.845 1.00 10.00 C ATOM 1235 CG HIS A 85 4.214 -4.485 5.162 1.00 10.00 C ATOM 1236 ND1 HIS A 85 5.121 -4.149 6.098 1.00 10.00 N flip ATOM 1237 CD2 HIS A 85 3.959 -3.320 4.484 1.00 10.00 C flip ATOM 1238 CE1 HIS A 85 5.371 -2.841 5.982 1.00 10.00 C flip ATOM 1239 NE2 HIS A 85 4.670 -2.365 5.001 1.00 10.00 N flip ATOM 0 H HIS A 85 4.325 -6.697 7.838 1.00 10.00 H new ATOM 0 HA HIS A 85 2.757 -7.594 5.635 1.00 10.00 H new ATOM 0 HB2 HIS A 85 3.901 -6.149 3.893 1.00 10.00 H new ATOM 0 HB3 HIS A 85 2.456 -5.566 4.695 1.00 10.00 H new ATOM 0 HD1 HIS A 85 5.544 -4.782 6.777 1.00 10.00 H new ATOM 0 HD2 HIS A 85 3.276 -3.214 3.654 1.00 10.00 H new ATOM 0 HE1 HIS A 85 6.047 -2.273 6.604 1.00 10.00 H new ATOM 1248 N SER A 86 5.334 -7.949 4.599 1.00 10.00 N ATOM 1249 CA SER A 86 6.536 -8.686 4.476 1.00 10.00 C ATOM 1250 C SER A 86 7.569 -8.063 3.568 1.00 10.00 C ATOM 1251 O SER A 86 7.313 -7.792 2.390 1.00 10.00 O ATOM 1252 CB SER A 86 6.225 -10.075 4.150 1.00 10.00 C ATOM 1253 OG SER A 86 5.819 -10.809 5.293 1.00 10.00 O ATOM 0 H SER A 86 4.928 -7.606 3.728 1.00 10.00 H new ATOM 0 HA SER A 86 7.033 -8.663 5.446 1.00 10.00 H new ATOM 0 HB2 SER A 86 5.434 -10.103 3.401 1.00 10.00 H new ATOM 0 HB3 SER A 86 7.101 -10.549 3.707 1.00 10.00 H new ATOM 0 HG SER A 86 5.772 -11.762 5.070 1.00 10.00 H new ATOM 1259 N ASN A 87 8.698 -7.773 4.173 1.00 10.00 N ATOM 1260 CA ASN A 87 9.938 -7.178 3.571 1.00 10.00 C ATOM 1261 C ASN A 87 9.856 -5.728 3.324 1.00 10.00 C ATOM 1262 O ASN A 87 10.745 -4.969 3.706 1.00 10.00 O ATOM 1263 CB ASN A 87 10.519 -7.922 2.342 1.00 10.00 C ATOM 1264 CG ASN A 87 10.942 -9.345 2.640 1.00 10.00 C ATOM 1265 OD1 ASN A 87 12.081 -9.599 3.018 1.00 10.00 O ATOM 1266 ND2 ASN A 87 10.054 -10.282 2.438 1.00 10.00 N ATOM 0 H ASN A 87 8.815 -7.947 5.171 1.00 10.00 H new ATOM 0 HA ASN A 87 10.662 -7.332 4.371 1.00 10.00 H new ATOM 0 HB2 ASN A 87 9.773 -7.932 1.548 1.00 10.00 H new ATOM 0 HB3 ASN A 87 11.378 -7.368 1.965 1.00 10.00 H new ATOM 0 HD21 ASN A 87 10.299 -11.260 2.595 1.00 10.00 H new ATOM 0 HD22 ASN A 87 9.115 -10.036 2.124 1.00 10.00 H new ATOM 1273 N VAL A 88 8.766 -5.369 2.783 1.00 10.00 N ATOM 1274 CA VAL A 88 8.459 -4.085 2.299 1.00 10.00 C ATOM 1275 C VAL A 88 9.577 -3.381 1.597 1.00 10.00 C ATOM 1276 O VAL A 88 10.209 -2.446 2.105 1.00 10.00 O ATOM 1277 CB VAL A 88 7.635 -3.237 3.260 1.00 10.00 C ATOM 1278 CG1 VAL A 88 8.276 -3.020 4.577 1.00 10.00 C ATOM 1279 CG2 VAL A 88 7.226 -1.941 2.671 1.00 10.00 C ATOM 0 H VAL A 88 7.994 -6.023 2.655 1.00 10.00 H new ATOM 0 HA VAL A 88 7.768 -4.270 1.477 1.00 10.00 H new ATOM 0 HB VAL A 88 6.740 -3.833 3.438 1.00 10.00 H new ATOM 0 HG11 VAL A 88 7.626 -2.408 5.202 1.00 10.00 H new ATOM 0 HG12 VAL A 88 8.445 -3.981 5.062 1.00 10.00 H new ATOM 0 HG13 VAL A 88 9.230 -2.511 4.438 1.00 10.00 H new ATOM 0 HG21 VAL A 88 6.642 -1.379 3.399 1.00 10.00 H new ATOM 0 HG22 VAL A 88 8.113 -1.369 2.398 1.00 10.00 H new ATOM 0 HG23 VAL A 88 6.622 -2.120 1.782 1.00 10.00 H new ATOM 1289 N GLU A 89 9.824 -3.858 0.439 1.00 10.00 N ATOM 1290 CA GLU A 89 10.877 -3.357 -0.330 1.00 10.00 C ATOM 1291 C GLU A 89 10.335 -2.395 -1.346 1.00 10.00 C ATOM 1292 O GLU A 89 9.685 -2.788 -2.307 1.00 10.00 O ATOM 1293 CB GLU A 89 11.623 -4.474 -0.980 1.00 10.00 C ATOM 1294 CG GLU A 89 12.995 -4.085 -1.424 1.00 10.00 C ATOM 1295 CD GLU A 89 13.835 -3.549 -0.295 1.00 10.00 C ATOM 1296 OE1 GLU A 89 13.777 -2.328 -0.023 1.00 10.00 O ATOM 1297 OE2 GLU A 89 14.567 -4.332 0.333 1.00 10.00 O ATOM 0 H GLU A 89 9.294 -4.612 0.001 1.00 10.00 H new ATOM 0 HA GLU A 89 11.579 -2.825 0.312 1.00 10.00 H new ATOM 0 HB2 GLU A 89 11.697 -5.308 -0.282 1.00 10.00 H new ATOM 0 HB3 GLU A 89 11.056 -4.828 -1.841 1.00 10.00 H new ATOM 0 HG2 GLU A 89 13.491 -4.951 -1.862 1.00 10.00 H new ATOM 0 HG3 GLU A 89 12.920 -3.330 -2.207 1.00 10.00 H new ATOM 1304 N ILE A 90 10.520 -1.147 -1.032 1.00 10.00 N ATOM 1305 CA ILE A 90 10.140 0.009 -1.844 1.00 10.00 C ATOM 1306 C ILE A 90 10.513 -0.233 -3.283 1.00 10.00 C ATOM 1307 O ILE A 90 9.680 -0.299 -4.118 1.00 10.00 O ATOM 1308 CB ILE A 90 10.846 1.302 -1.347 1.00 10.00 C ATOM 1309 CG1 ILE A 90 11.008 1.295 0.169 1.00 10.00 C ATOM 1310 CG2 ILE A 90 10.057 2.549 -1.752 1.00 10.00 C ATOM 1311 CD1 ILE A 90 9.718 1.097 0.909 1.00 10.00 C ATOM 0 H ILE A 90 10.965 -0.875 -0.155 1.00 10.00 H new ATOM 0 HA ILE A 90 9.062 0.143 -1.754 1.00 10.00 H new ATOM 0 HB ILE A 90 11.830 1.326 -1.814 1.00 10.00 H new ATOM 0 HG12 ILE A 90 11.703 0.503 0.448 1.00 10.00 H new ATOM 0 HG13 ILE A 90 11.456 2.238 0.483 1.00 10.00 H new ATOM 0 HG21 ILE A 90 10.573 3.439 -1.392 1.00 10.00 H new ATOM 0 HG22 ILE A 90 9.976 2.591 -2.838 1.00 10.00 H new ATOM 0 HG23 ILE A 90 9.059 2.506 -1.315 1.00 10.00 H new ATOM 0 HD11 ILE A 90 9.909 1.103 1.982 1.00 10.00 H new ATOM 0 HD12 ILE A 90 9.028 1.903 0.659 1.00 10.00 H new ATOM 0 HD13 ILE A 90 9.278 0.141 0.624 1.00 10.00 H new ATOM 1323 N LEU A 91 11.781 -0.370 -3.523 1.00 10.00 N ATOM 1324 CA LEU A 91 12.385 -0.683 -4.829 1.00 10.00 C ATOM 1325 C LEU A 91 12.340 0.481 -5.783 1.00 10.00 C ATOM 1326 O LEU A 91 13.310 0.750 -6.496 1.00 10.00 O ATOM 1327 CB LEU A 91 11.780 -1.941 -5.492 1.00 10.00 C ATOM 1328 CG LEU A 91 12.066 -3.285 -4.824 1.00 10.00 C ATOM 1329 CD1 LEU A 91 11.308 -4.387 -5.535 1.00 10.00 C ATOM 1330 CD2 LEU A 91 13.555 -3.578 -4.857 1.00 10.00 C ATOM 0 H LEU A 91 12.480 -0.265 -2.788 1.00 10.00 H new ATOM 0 HA LEU A 91 13.430 -0.899 -4.608 1.00 10.00 H new ATOM 0 HB2 LEU A 91 10.699 -1.811 -5.541 1.00 10.00 H new ATOM 0 HB3 LEU A 91 12.142 -1.990 -6.519 1.00 10.00 H new ATOM 0 HG LEU A 91 11.738 -3.239 -3.786 1.00 10.00 H new ATOM 0 HD11 LEU A 91 11.517 -5.342 -5.053 1.00 10.00 H new ATOM 0 HD12 LEU A 91 10.238 -4.183 -5.487 1.00 10.00 H new ATOM 0 HD13 LEU A 91 11.622 -4.430 -6.578 1.00 10.00 H new ATOM 0 HD21 LEU A 91 13.748 -4.538 -4.378 1.00 10.00 H new ATOM 0 HD22 LEU A 91 13.896 -3.614 -5.892 1.00 10.00 H new ATOM 0 HD23 LEU A 91 14.092 -2.793 -4.325 1.00 10.00 H new ATOM 1342 N ALA A 92 11.262 1.180 -5.780 1.00 10.00 N ATOM 1343 CA ALA A 92 11.058 2.246 -6.713 1.00 10.00 C ATOM 1344 C ALA A 92 10.545 3.478 -6.038 1.00 10.00 C ATOM 1345 O ALA A 92 9.483 3.458 -5.422 1.00 10.00 O ATOM 1346 CB ALA A 92 10.088 1.814 -7.796 1.00 10.00 C ATOM 0 H ALA A 92 10.489 1.034 -5.131 1.00 10.00 H new ATOM 0 HA ALA A 92 12.023 2.483 -7.160 1.00 10.00 H new ATOM 0 HB1 ALA A 92 9.940 2.633 -8.500 1.00 10.00 H new ATOM 0 HB2 ALA A 92 10.493 0.950 -8.324 1.00 10.00 H new ATOM 0 HB3 ALA A 92 9.133 1.548 -7.344 1.00 10.00 H new ATOM 1352 N GLU A 93 11.311 4.524 -6.108 1.00 10.00 N ATOM 1353 CA GLU A 93 10.874 5.813 -5.664 1.00 10.00 C ATOM 1354 C GLU A 93 11.066 6.741 -6.837 1.00 10.00 C ATOM 1355 O GLU A 93 12.197 6.988 -7.272 1.00 10.00 O ATOM 1356 CB GLU A 93 11.667 6.295 -4.446 1.00 10.00 C ATOM 1357 CG GLU A 93 11.611 5.361 -3.278 1.00 10.00 C ATOM 1358 CD GLU A 93 12.408 5.846 -2.102 1.00 10.00 C ATOM 1359 OE1 GLU A 93 13.631 5.568 -2.038 1.00 10.00 O ATOM 1360 OE2 GLU A 93 11.844 6.504 -1.213 1.00 10.00 O ATOM 0 H GLU A 93 12.262 4.507 -6.477 1.00 10.00 H new ATOM 0 HA GLU A 93 9.833 5.780 -5.343 1.00 10.00 H new ATOM 0 HB2 GLU A 93 12.708 6.437 -4.736 1.00 10.00 H new ATOM 0 HB3 GLU A 93 11.286 7.269 -4.139 1.00 10.00 H new ATOM 0 HG2 GLU A 93 10.572 5.227 -2.976 1.00 10.00 H new ATOM 0 HG3 GLU A 93 11.983 4.383 -3.584 1.00 10.00 H new ATOM 1367 N GLU A 94 9.992 7.187 -7.392 1.00 10.00 N ATOM 1368 CA GLU A 94 10.031 8.003 -8.572 1.00 10.00 C ATOM 1369 C GLU A 94 9.478 9.386 -8.280 1.00 10.00 C ATOM 1370 O GLU A 94 8.494 9.525 -7.565 1.00 10.00 O ATOM 1371 CB GLU A 94 9.285 7.291 -9.728 1.00 10.00 C ATOM 1372 CG GLU A 94 7.849 6.881 -9.413 1.00 10.00 C ATOM 1373 CD GLU A 94 7.205 6.068 -10.518 1.00 10.00 C ATOM 1374 OE1 GLU A 94 7.204 6.513 -11.684 1.00 10.00 O ATOM 1375 OE2 GLU A 94 6.705 4.955 -10.245 1.00 10.00 O ATOM 0 H GLU A 94 9.052 6.999 -7.043 1.00 10.00 H new ATOM 0 HA GLU A 94 11.064 8.141 -8.890 1.00 10.00 H new ATOM 0 HB2 GLU A 94 9.277 7.951 -10.596 1.00 10.00 H new ATOM 0 HB3 GLU A 94 9.848 6.401 -10.010 1.00 10.00 H new ATOM 0 HG2 GLU A 94 7.838 6.301 -8.490 1.00 10.00 H new ATOM 0 HG3 GLU A 94 7.253 7.776 -9.235 1.00 10.00 H new ATOM 1382 N SER A 95 10.133 10.400 -8.778 1.00 10.00 N ATOM 1383 CA SER A 95 9.692 11.747 -8.571 1.00 10.00 C ATOM 1384 C SER A 95 8.597 12.077 -9.575 1.00 10.00 C ATOM 1385 O SER A 95 8.796 12.009 -10.798 1.00 10.00 O ATOM 1386 CB SER A 95 10.870 12.711 -8.663 1.00 10.00 C ATOM 1387 OG SER A 95 11.881 12.373 -7.701 1.00 10.00 O ATOM 0 H SER A 95 10.983 10.313 -9.335 1.00 10.00 H new ATOM 0 HA SER A 95 9.274 11.853 -7.570 1.00 10.00 H new ATOM 0 HB2 SER A 95 11.293 12.681 -9.667 1.00 10.00 H new ATOM 0 HB3 SER A 95 10.525 13.731 -8.492 1.00 10.00 H new ATOM 0 HG SER A 95 12.629 13.002 -7.777 1.00 10.00 H new ATOM 1393 N ILE A 96 7.442 12.391 -9.065 1.00 10.00 N ATOM 1394 CA ILE A 96 6.282 12.618 -9.904 1.00 10.00 C ATOM 1395 C ILE A 96 5.737 14.027 -9.872 1.00 10.00 C ATOM 1396 O ILE A 96 6.249 14.907 -9.175 1.00 10.00 O ATOM 1397 CB ILE A 96 5.142 11.685 -9.563 1.00 10.00 C ATOM 1398 CG1 ILE A 96 4.777 11.826 -8.110 1.00 10.00 C ATOM 1399 CG2 ILE A 96 5.510 10.248 -9.926 1.00 10.00 C ATOM 1400 CD1 ILE A 96 3.425 11.385 -7.764 1.00 10.00 C ATOM 0 H ILE A 96 7.269 12.498 -8.066 1.00 10.00 H new ATOM 0 HA ILE A 96 6.664 12.425 -10.907 1.00 10.00 H new ATOM 0 HB ILE A 96 4.264 11.954 -10.150 1.00 10.00 H new ATOM 0 HG12 ILE A 96 5.491 11.257 -7.515 1.00 10.00 H new ATOM 0 HG13 ILE A 96 4.886 12.872 -7.824 1.00 10.00 H new ATOM 0 HG21 ILE A 96 4.681 9.586 -9.676 1.00 10.00 H new ATOM 0 HG22 ILE A 96 5.716 10.184 -10.994 1.00 10.00 H new ATOM 0 HG23 ILE A 96 6.396 9.947 -9.367 1.00 10.00 H new ATOM 0 HD11 ILE A 96 3.258 11.527 -6.696 1.00 10.00 H new ATOM 0 HD12 ILE A 96 2.697 11.970 -8.326 1.00 10.00 H new ATOM 0 HD13 ILE A 96 3.312 10.330 -8.012 1.00 10.00 H new ATOM 1412 N ALA A 97 4.696 14.237 -10.672 1.00 10.00 N ATOM 1413 CA ALA A 97 3.952 15.483 -10.680 1.00 10.00 C ATOM 1414 C ALA A 97 2.605 15.269 -10.116 1.00 10.00 C ATOM 1415 O ALA A 97 1.824 16.201 -9.930 1.00 10.00 O ATOM 1416 CB ALA A 97 3.830 16.046 -12.037 1.00 10.00 C ATOM 0 H ALA A 97 4.347 13.543 -11.333 1.00 10.00 H new ATOM 0 HA ALA A 97 4.506 16.196 -10.069 1.00 10.00 H new ATOM 0 HB1 ALA A 97 3.266 16.978 -11.995 1.00 10.00 H new ATOM 0 HB2 ALA A 97 4.824 16.241 -12.441 1.00 10.00 H new ATOM 0 HB3 ALA A 97 3.310 15.336 -12.680 1.00 10.00 H new ATOM 1422 N LYS A 98 2.391 14.048 -9.798 1.00 10.00 N ATOM 1423 CA LYS A 98 1.210 13.544 -9.249 1.00 10.00 C ATOM 1424 C LYS A 98 -0.024 13.891 -10.101 1.00 10.00 C ATOM 1425 O LYS A 98 0.101 14.131 -11.322 1.00 10.00 O ATOM 1426 CB LYS A 98 1.209 14.063 -7.857 1.00 10.00 C ATOM 1427 CG LYS A 98 0.360 13.381 -6.904 1.00 10.00 C ATOM 1428 CD LYS A 98 -0.758 14.217 -6.460 1.00 10.00 C ATOM 1429 CE LYS A 98 -0.434 14.773 -5.161 1.00 10.00 C ATOM 1430 NZ LYS A 98 -1.520 15.620 -4.632 1.00 10.00 N ATOM 0 H LYS A 98 3.099 13.326 -9.929 1.00 10.00 H new ATOM 0 HA LYS A 98 1.160 12.455 -9.238 1.00 10.00 H new ATOM 0 HB2 LYS A 98 2.232 14.032 -7.483 1.00 10.00 H new ATOM 0 HB3 LYS A 98 0.912 15.111 -7.886 1.00 10.00 H new ATOM 0 HG2 LYS A 98 -0.028 12.468 -7.355 1.00 10.00 H new ATOM 0 HG3 LYS A 98 0.954 13.083 -6.040 1.00 10.00 H new ATOM 0 HD2 LYS A 98 -0.941 15.016 -7.178 1.00 10.00 H new ATOM 0 HD3 LYS A 98 -1.672 13.626 -6.401 1.00 10.00 H new ATOM 0 HE2 LYS A 98 -0.233 13.963 -4.460 1.00 10.00 H new ATOM 0 HE3 LYS A 98 0.480 15.362 -5.237 1.00 10.00 H new ATOM 0 HZ1 LYS A 98 -1.201 16.609 -4.593 1.00 10.00 H new ATOM 0 HZ2 LYS A 98 -2.351 15.548 -5.254 1.00 10.00 H new ATOM 0 HZ3 LYS A 98 -1.775 15.301 -3.676 1.00 10.00 H new ATOM 1444 N ARG A 99 -1.189 13.787 -9.491 1.00 10.00 N ATOM 1445 CA ARG A 99 -2.475 14.095 -10.112 1.00 10.00 C ATOM 1446 C ARG A 99 -2.859 12.941 -11.045 1.00 10.00 C ATOM 1447 O ARG A 99 -3.676 13.057 -11.949 1.00 10.00 O ATOM 1448 CB ARG A 99 -2.419 15.500 -10.801 1.00 10.00 C ATOM 1449 CG ARG A 99 -3.684 15.962 -11.503 1.00 10.00 C ATOM 1450 CD ARG A 99 -3.508 17.356 -12.055 1.00 10.00 C ATOM 1451 NE ARG A 99 -4.568 17.716 -12.996 1.00 10.00 N ATOM 1452 CZ ARG A 99 -4.635 18.861 -13.685 1.00 10.00 C ATOM 1453 NH1 ARG A 99 -3.770 19.854 -13.444 1.00 10.00 N ATOM 1454 NH2 ARG A 99 -5.581 19.019 -14.590 1.00 10.00 N ATOM 0 H ARG A 99 -1.276 13.478 -8.523 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.268 14.174 -9.369 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -2.159 16.241 -10.045 1.00 10.00 H new ATOM 0 HB3 ARG A 99 -1.609 15.490 -11.530 1.00 10.00 H new ATOM 0 HG2 ARG A 99 -3.930 15.273 -12.312 1.00 10.00 H new ATOM 0 HG3 ARG A 99 -4.521 15.945 -10.805 1.00 10.00 H new ATOM 0 HD2 ARG A 99 -3.496 18.072 -11.233 1.00 10.00 H new ATOM 0 HD3 ARG A 99 -2.542 17.428 -12.554 1.00 10.00 H new ATOM 0 HE ARG A 99 -5.317 17.039 -13.139 1.00 10.00 H new ATOM 0 HH11 ARG A 99 -3.051 19.742 -12.729 1.00 10.00 H new ATOM 0 HH12 ARG A 99 -3.830 20.723 -13.975 1.00 10.00 H new ATOM 0 HH21 ARG A 99 -6.254 18.272 -14.760 1.00 10.00 H new ATOM 0 HH22 ARG A 99 -5.640 19.889 -15.120 1.00 10.00 H new ATOM 1468 N ARG A 100 -2.307 11.798 -10.736 1.00 10.00 N ATOM 1469 CA ARG A 100 -2.507 10.606 -11.502 1.00 10.00 C ATOM 1470 C ARG A 100 -3.518 9.721 -10.809 1.00 10.00 C ATOM 1471 O ARG A 100 -4.472 9.253 -11.424 1.00 10.00 O ATOM 1472 CB ARG A 100 -1.183 9.892 -11.628 1.00 10.00 C ATOM 1473 CG ARG A 100 -0.125 10.718 -12.325 1.00 10.00 C ATOM 1474 CD ARG A 100 1.260 10.175 -12.058 1.00 10.00 C ATOM 1475 NE ARG A 100 1.400 8.759 -12.407 1.00 10.00 N ATOM 1476 CZ ARG A 100 2.042 7.853 -11.658 1.00 10.00 C ATOM 1477 NH1 ARG A 100 2.323 8.122 -10.376 1.00 10.00 N ATOM 1478 NH2 ARG A 100 2.278 6.644 -12.144 1.00 10.00 N ATOM 0 H ARG A 100 -1.695 11.671 -9.930 1.00 10.00 H new ATOM 0 HA ARG A 100 -2.886 10.852 -12.494 1.00 10.00 H new ATOM 0 HB2 ARG A 100 -0.827 9.622 -10.634 1.00 10.00 H new ATOM 0 HB3 ARG A 100 -1.330 8.962 -12.178 1.00 10.00 H new ATOM 0 HG2 ARG A 100 -0.315 10.725 -13.398 1.00 10.00 H new ATOM 0 HG3 ARG A 100 -0.185 11.752 -11.984 1.00 10.00 H new ATOM 0 HD2 ARG A 100 1.987 10.756 -12.625 1.00 10.00 H new ATOM 0 HD3 ARG A 100 1.499 10.308 -11.003 1.00 10.00 H new ATOM 0 HE ARG A 100 0.980 8.441 -13.280 1.00 10.00 H new ATOM 0 HH11 ARG A 100 2.048 9.017 -9.970 1.00 10.00 H new ATOM 0 HH12 ARG A 100 2.812 7.432 -9.805 1.00 10.00 H new ATOM 0 HH21 ARG A 100 1.971 6.404 -13.087 1.00 10.00 H new ATOM 0 HH22 ARG A 100 2.767 5.952 -11.576 1.00 10.00 H new ATOM 1492 N PHE A 101 -3.307 9.491 -9.534 1.00 10.00 N ATOM 1493 CA PHE A 101 -4.196 8.668 -8.744 1.00 10.00 C ATOM 1494 C PHE A 101 -4.728 9.465 -7.576 1.00 10.00 C ATOM 1495 O PHE A 101 -4.614 9.050 -6.435 1.00 10.00 O ATOM 1496 CB PHE A 101 -3.471 7.404 -8.263 1.00 10.00 C ATOM 1497 CG PHE A 101 -3.109 6.472 -9.383 1.00 10.00 C ATOM 1498 CD1 PHE A 101 -1.938 6.643 -10.110 1.00 10.00 C ATOM 1499 CD2 PHE A 101 -3.955 5.438 -9.719 1.00 10.00 C ATOM 1500 CE1 PHE A 101 -1.628 5.798 -11.151 1.00 10.00 C ATOM 1501 CE2 PHE A 101 -3.648 4.589 -10.753 1.00 10.00 C ATOM 1502 CZ PHE A 101 -2.483 4.767 -11.474 1.00 10.00 C ATOM 0 H PHE A 101 -2.515 9.869 -9.014 1.00 10.00 H new ATOM 0 HA PHE A 101 -5.037 8.356 -9.363 1.00 10.00 H new ATOM 0 HB2 PHE A 101 -2.565 7.692 -7.731 1.00 10.00 H new ATOM 0 HB3 PHE A 101 -4.105 6.877 -7.550 1.00 10.00 H new ATOM 0 HD1 PHE A 101 -1.264 7.447 -9.856 1.00 10.00 H new ATOM 0 HD2 PHE A 101 -4.870 5.294 -9.163 1.00 10.00 H new ATOM 0 HE1 PHE A 101 -0.717 5.943 -11.713 1.00 10.00 H new ATOM 0 HE2 PHE A 101 -4.319 3.780 -11.003 1.00 10.00 H new ATOM 0 HZ PHE A 101 -2.243 4.100 -12.289 1.00 10.00 H new ATOM 1512 N ALA A 102 -5.387 10.586 -7.914 1.00 10.00 N ATOM 1513 CA ALA A 102 -5.937 11.627 -7.003 1.00 10.00 C ATOM 1514 C ALA A 102 -6.801 11.088 -5.871 1.00 10.00 C ATOM 1515 O ALA A 102 -7.081 11.790 -4.888 1.00 10.00 O ATOM 1516 CB ALA A 102 -6.697 12.685 -7.788 1.00 10.00 C ATOM 0 H ALA A 102 -5.566 10.812 -8.892 1.00 10.00 H new ATOM 0 HA ALA A 102 -5.066 12.073 -6.523 1.00 10.00 H new ATOM 0 HB1 ALA A 102 -7.090 13.435 -7.102 1.00 10.00 H new ATOM 0 HB2 ALA A 102 -6.025 13.162 -8.501 1.00 10.00 H new ATOM 0 HB3 ALA A 102 -7.522 12.217 -8.325 1.00 10.00 H new ATOM 1522 N GLY A 103 -7.172 9.884 -5.999 1.00 10.00 N ATOM 1523 CA GLY A 103 -7.912 9.220 -5.027 1.00 10.00 C ATOM 1524 C GLY A 103 -7.261 7.908 -4.813 1.00 10.00 C ATOM 1525 O GLY A 103 -7.049 7.172 -5.779 1.00 10.00 O ATOM 0 H GLY A 103 -6.958 9.314 -6.818 1.00 10.00 H new ATOM 0 HA2 GLY A 103 -7.937 9.794 -4.101 1.00 10.00 H new ATOM 0 HA3 GLY A 103 -8.945 9.091 -5.350 1.00 10.00 H new ATOM 1529 N TRP A 104 -6.856 7.644 -3.600 1.00 10.00 N ATOM 1530 CA TRP A 104 -6.256 6.343 -3.277 1.00 10.00 C ATOM 1531 C TRP A 104 -7.213 5.174 -3.599 1.00 10.00 C ATOM 1532 O TRP A 104 -8.430 5.259 -3.385 1.00 10.00 O ATOM 1533 CB TRP A 104 -5.746 6.295 -1.798 1.00 10.00 C ATOM 1534 CG TRP A 104 -6.270 5.147 -0.963 1.00 10.00 C ATOM 1535 CD1 TRP A 104 -5.658 3.947 -0.724 1.00 10.00 C ATOM 1536 CD2 TRP A 104 -7.521 5.097 -0.271 1.00 10.00 C ATOM 1537 NE1 TRP A 104 -6.467 3.159 0.061 1.00 10.00 N ATOM 1538 CE2 TRP A 104 -7.616 3.853 0.347 1.00 10.00 C ATOM 1539 CE3 TRP A 104 -8.574 5.991 -0.125 1.00 10.00 C ATOM 1540 CZ2 TRP A 104 -8.730 3.501 1.091 1.00 10.00 C ATOM 1541 CZ3 TRP A 104 -9.649 5.647 0.598 1.00 10.00 C ATOM 1542 CH2 TRP A 104 -9.727 4.434 1.189 1.00 10.00 C ATOM 0 H TRP A 104 -6.922 8.293 -2.816 1.00 10.00 H new ATOM 0 HA TRP A 104 -5.383 6.221 -3.919 1.00 10.00 H new ATOM 0 HB2 TRP A 104 -4.657 6.245 -1.809 1.00 10.00 H new ATOM 0 HB3 TRP A 104 -6.017 7.230 -1.308 1.00 10.00 H new ATOM 0 HD1 TRP A 104 -4.685 3.661 -1.096 1.00 10.00 H new ATOM 0 HE1 TRP A 104 -6.249 2.214 0.378 1.00 10.00 H new ATOM 0 HE3 TRP A 104 -8.527 6.963 -0.594 1.00 10.00 H new ATOM 0 HZ2 TRP A 104 -8.808 2.537 1.571 1.00 10.00 H new ATOM 0 HZ3 TRP A 104 -10.463 6.348 0.710 1.00 10.00 H new ATOM 0 HH2 TRP A 104 -10.610 4.191 1.761 1.00 10.00 H new ATOM 1553 N HIS A 105 -6.656 4.121 -4.190 1.00 10.00 N ATOM 1554 CA HIS A 105 -7.413 2.954 -4.545 1.00 10.00 C ATOM 1555 C HIS A 105 -6.941 1.774 -3.735 1.00 10.00 C ATOM 1556 O HIS A 105 -5.780 1.717 -3.325 1.00 10.00 O ATOM 1557 CB HIS A 105 -7.225 2.654 -6.030 1.00 10.00 C ATOM 1558 CG HIS A 105 -7.955 3.562 -6.971 1.00 10.00 C ATOM 1559 ND1 HIS A 105 -7.582 4.863 -7.217 1.00 10.00 N ATOM 1560 CD2 HIS A 105 -9.038 3.337 -7.748 1.00 10.00 C ATOM 1561 CE1 HIS A 105 -8.399 5.387 -8.101 1.00 10.00 C ATOM 1562 NE2 HIS A 105 -9.287 4.486 -8.438 1.00 10.00 N ATOM 0 H HIS A 105 -5.666 4.066 -4.431 1.00 10.00 H new ATOM 0 HA HIS A 105 -8.468 3.136 -4.339 1.00 10.00 H new ATOM 0 HB2 HIS A 105 -6.161 2.702 -6.260 1.00 10.00 H new ATOM 0 HB3 HIS A 105 -7.547 1.630 -6.219 1.00 10.00 H new ATOM 0 HD1 HIS A 105 -6.795 5.344 -6.782 1.00 10.00 H new ATOM 0 HD2 HIS A 105 -9.601 2.418 -7.811 1.00 10.00 H new ATOM 0 HE1 HIS A 105 -8.347 6.395 -8.486 1.00 10.00 H new ATOM 1571 N MET A 106 -7.816 0.850 -3.510 1.00 10.00 N ATOM 1572 CA MET A 106 -7.498 -0.357 -2.800 1.00 10.00 C ATOM 1573 C MET A 106 -8.299 -1.438 -3.484 1.00 10.00 C ATOM 1574 O MET A 106 -9.439 -1.192 -3.862 1.00 10.00 O ATOM 1575 CB MET A 106 -7.922 -0.237 -1.317 1.00 10.00 C ATOM 1576 CG MET A 106 -7.091 -1.068 -0.317 1.00 10.00 C ATOM 1577 SD MET A 106 -7.022 -2.844 -0.658 1.00 10.00 S ATOM 1578 CE MET A 106 -5.931 -3.435 0.657 1.00 10.00 C ATOM 0 H MET A 106 -8.787 0.908 -3.816 1.00 10.00 H new ATOM 0 HA MET A 106 -6.429 -0.567 -2.811 1.00 10.00 H new ATOM 0 HB2 MET A 106 -7.866 0.812 -1.025 1.00 10.00 H new ATOM 0 HB3 MET A 106 -8.967 -0.536 -1.231 1.00 10.00 H new ATOM 0 HG2 MET A 106 -6.073 -0.678 -0.303 1.00 10.00 H new ATOM 0 HG3 MET A 106 -7.502 -0.922 0.682 1.00 10.00 H new ATOM 0 HE1 MET A 106 -5.116 -4.013 0.221 1.00 10.00 H new ATOM 0 HE2 MET A 106 -5.522 -2.583 1.201 1.00 10.00 H new ATOM 0 HE3 MET A 106 -6.496 -4.066 1.343 1.00 10.00 H new ATOM 1588 N GLN A 107 -7.717 -2.602 -3.694 1.00 10.00 N ATOM 1589 CA GLN A 107 -8.444 -3.689 -4.338 1.00 10.00 C ATOM 1590 C GLN A 107 -9.589 -4.183 -3.457 1.00 10.00 C ATOM 1591 O GLN A 107 -10.632 -4.618 -3.948 1.00 10.00 O ATOM 1592 CB GLN A 107 -7.495 -4.826 -4.826 1.00 10.00 C ATOM 1593 CG GLN A 107 -6.530 -5.418 -3.782 1.00 10.00 C ATOM 1594 CD GLN A 107 -7.161 -6.343 -2.737 1.00 10.00 C ATOM 1595 OE1 GLN A 107 -6.706 -6.398 -1.609 1.00 10.00 O ATOM 1596 NE2 GLN A 107 -8.163 -7.100 -3.115 1.00 10.00 N ATOM 0 H GLN A 107 -6.756 -2.823 -3.434 1.00 10.00 H new ATOM 0 HA GLN A 107 -8.903 -3.295 -5.245 1.00 10.00 H new ATOM 0 HB2 GLN A 107 -8.109 -5.636 -5.220 1.00 10.00 H new ATOM 0 HB3 GLN A 107 -6.903 -4.442 -5.657 1.00 10.00 H new ATOM 0 HG2 GLN A 107 -5.752 -5.972 -4.308 1.00 10.00 H new ATOM 0 HG3 GLN A 107 -6.039 -4.596 -3.262 1.00 10.00 H new ATOM 0 HE21 GLN A 107 -8.523 -7.032 -4.067 1.00 10.00 H new ATOM 0 HE22 GLN A 107 -8.582 -7.757 -2.457 1.00 10.00 H new