USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-2.4!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -46:sc= 0.231 USER MOD Single : A 20 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-0.48) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -14:sc= 1 USER MOD Single : A 34 SER OG : rot -7:sc= 1.13 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 39 SER OG : rot -140:sc=0.000864 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot -16:sc= 0.615 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 65 TYR OH : rot -137:sc= -2.32 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.652! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 92 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.59) USER MOD Single : A 93 HIS : no HD1:sc= -0.393 X(o=-0.39,f=-0.47) USER MOD Single : A 94 SER OG : rot -58:sc= 1.27 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -7.931 -1.569 -9.974 1.00 0.00 N ATOM 171 CA LYS A 15 -9.144 -1.176 -10.682 1.00 0.00 C ATOM 172 C LYS A 15 -9.584 0.225 -10.268 1.00 0.00 C ATOM 173 O LYS A 15 -9.933 1.051 -11.111 1.00 0.00 O ATOM 174 CB LYS A 15 -10.267 -2.178 -10.405 1.00 0.00 C ATOM 175 CG LYS A 15 -10.041 -3.537 -11.043 1.00 0.00 C ATOM 176 CD LYS A 15 -9.187 -4.432 -10.162 1.00 0.00 C ATOM 177 CE LYS A 15 -9.452 -5.904 -10.442 1.00 0.00 C ATOM 178 NZ LYS A 15 -8.549 -6.788 -9.653 1.00 0.00 N ATOM 0 HA LYS A 15 -8.927 -1.169 -11.750 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.372 -2.305 -9.327 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -11.208 -1.766 -10.770 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.002 -4.017 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.557 -3.409 -12.011 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.133 -4.212 -10.331 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.393 -4.217 -9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.489 -6.138 -10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.317 -6.102 -11.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.760 -7.783 -9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.560 -6.582 -9.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.696 -6.617 -8.638 1.00 0.00 H new ATOM 192 N HIS A 16 -9.562 0.486 -8.964 1.00 0.00 N ATOM 193 CA HIS A 16 -9.957 1.789 -8.440 1.00 0.00 C ATOM 194 C HIS A 16 -8.768 2.744 -8.406 1.00 0.00 C ATOM 195 O HIS A 16 -7.621 2.319 -8.263 1.00 0.00 O ATOM 196 CB HIS A 16 -10.547 1.639 -7.037 1.00 0.00 C ATOM 197 CG HIS A 16 -11.526 0.513 -6.916 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.809 0.575 -7.419 1.00 0.00 N ATOM 199 CD2 HIS A 16 -11.406 -0.709 -6.347 1.00 0.00 C ATOM 200 CE1 HIS A 16 -13.434 -0.561 -7.162 1.00 0.00 C ATOM 201 NE2 HIS A 16 -12.605 -1.356 -6.513 1.00 0.00 N ATOM 0 H HIS A 16 -9.275 -0.186 -8.252 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.715 2.206 -9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.736 1.482 -6.326 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -11.040 2.570 -6.758 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.529 -1.102 -5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.451 -0.798 -7.437 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.820 -2.298 -6.187 1.00 0.00 H new ATOM 210 N SER A 17 -9.049 4.036 -8.536 1.00 0.00 N ATOM 211 CA SER A 17 -8.003 5.052 -8.525 1.00 0.00 C ATOM 212 C SER A 17 -7.383 5.178 -7.136 1.00 0.00 C ATOM 213 O SER A 17 -6.178 5.392 -7.000 1.00 0.00 O ATOM 214 CB SER A 17 -8.568 6.403 -8.968 1.00 0.00 C ATOM 215 OG SER A 17 -9.045 6.344 -10.301 1.00 0.00 O ATOM 0 H SER A 17 -9.993 4.405 -8.650 1.00 0.00 H new ATOM 0 HA SER A 17 -7.226 4.745 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.378 6.698 -8.301 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.795 7.168 -8.888 1.00 0.00 H new ATOM 0 HG SER A 17 -9.402 7.219 -10.560 1.00 0.00 H new ATOM 221 N TRP A 18 -8.214 5.043 -6.110 1.00 0.00 N ATOM 222 CA TRP A 18 -7.749 5.142 -4.732 1.00 0.00 C ATOM 223 C TRP A 18 -7.002 3.879 -4.317 1.00 0.00 C ATOM 224 O TRP A 18 -6.011 3.941 -3.591 1.00 0.00 O ATOM 225 CB TRP A 18 -8.930 5.384 -3.789 1.00 0.00 C ATOM 226 CG TRP A 18 -10.188 4.696 -4.224 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.179 5.218 -5.005 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.590 3.360 -3.901 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.173 4.287 -5.188 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.836 3.138 -4.522 1.00 0.00 C ATOM 231 CE3 TRP A 18 -10.019 2.328 -3.151 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.517 1.929 -4.411 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.696 1.130 -3.043 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.934 0.938 -3.671 1.00 0.00 C ATOM 0 H TRP A 18 -9.214 4.865 -6.206 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.062 5.986 -4.667 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.664 5.041 -2.789 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.116 6.456 -3.719 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.181 6.216 -5.418 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -13.024 4.428 -5.732 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -9.065 2.466 -2.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.472 1.779 -4.892 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.264 0.327 -2.465 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.438 -0.012 -3.568 1.00 0.00 H new ATOM 245 N TYR A 19 -7.485 2.732 -4.783 1.00 0.00 N ATOM 246 CA TYR A 19 -6.865 1.452 -4.459 1.00 0.00 C ATOM 247 C TYR A 19 -5.437 1.390 -4.992 1.00 0.00 C ATOM 248 O TYR A 19 -5.211 1.089 -6.165 1.00 0.00 O ATOM 249 CB TYR A 19 -7.688 0.301 -5.037 1.00 0.00 C ATOM 250 CG TYR A 19 -7.243 -1.063 -4.560 1.00 0.00 C ATOM 251 CD1 TYR A 19 -7.256 -1.386 -3.209 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.807 -2.029 -5.460 1.00 0.00 C ATOM 253 CE1 TYR A 19 -6.848 -2.629 -2.767 1.00 0.00 C ATOM 254 CE2 TYR A 19 -6.400 -3.276 -5.027 1.00 0.00 C ATOM 255 CZ TYR A 19 -6.421 -3.571 -3.679 1.00 0.00 C ATOM 256 OH TYR A 19 -6.016 -4.812 -3.245 1.00 0.00 O ATOM 0 H TYR A 19 -8.304 2.663 -5.387 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.834 1.356 -3.374 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.735 0.445 -4.771 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.628 0.333 -6.125 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.591 -0.652 -2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.786 -1.801 -6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.863 -2.862 -1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.067 -4.016 -5.740 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.413 -4.710 -2.479 1.00 0.00 H new ATOM 266 N HIS A 20 -4.473 1.675 -4.121 1.00 0.00 N ATOM 267 CA HIS A 20 -3.066 1.649 -4.502 1.00 0.00 C ATOM 268 C HIS A 20 -2.349 0.470 -3.853 1.00 0.00 C ATOM 269 O HIS A 20 -1.251 0.617 -3.315 1.00 0.00 O ATOM 270 CB HIS A 20 -2.384 2.959 -4.103 1.00 0.00 C ATOM 271 CG HIS A 20 -2.448 4.016 -5.162 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.344 4.438 -5.870 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.495 4.735 -5.631 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.707 5.374 -6.730 1.00 0.00 C ATOM 275 NE2 HIS A 20 -3.008 5.572 -6.606 1.00 0.00 N ATOM 0 H HIS A 20 -4.641 1.926 -3.147 1.00 0.00 H new ATOM 0 HA HIS A 20 -3.010 1.534 -5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.850 3.339 -3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.339 2.757 -3.866 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.521 4.664 -5.301 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.052 5.889 -7.417 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -3.561 6.238 -7.146 1.00 0.00 H new ATOM 284 N GLY A 21 -2.977 -0.700 -3.906 1.00 0.00 N ATOM 285 CA GLY A 21 -2.385 -1.888 -3.319 1.00 0.00 C ATOM 286 C GLY A 21 -1.637 -1.588 -2.034 1.00 0.00 C ATOM 287 O GLY A 21 -1.903 -0.599 -1.352 1.00 0.00 O ATOM 0 H GLY A 21 -3.886 -0.847 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.168 -2.619 -3.118 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.701 -2.342 -4.036 1.00 0.00 H new ATOM 291 N PRO A 22 -0.676 -2.458 -1.688 1.00 0.00 N ATOM 292 CA PRO A 22 0.131 -2.304 -0.474 1.00 0.00 C ATOM 293 C PRO A 22 1.094 -1.125 -0.565 1.00 0.00 C ATOM 294 O PRO A 22 1.975 -1.095 -1.425 1.00 0.00 O ATOM 295 CB PRO A 22 0.905 -3.623 -0.392 1.00 0.00 C ATOM 296 CG PRO A 22 0.971 -4.110 -1.798 1.00 0.00 C ATOM 297 CD PRO A 22 -0.305 -3.660 -2.454 1.00 0.00 C ATOM 0 HA PRO A 22 -0.485 -2.101 0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.902 -3.472 0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.397 -4.341 0.252 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.840 -3.699 -2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.065 -5.195 -1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.156 -3.434 -3.510 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.078 -4.427 -2.398 1.00 0.00 H new ATOM 305 N VAL A 23 0.923 -0.156 0.329 1.00 0.00 N ATOM 306 CA VAL A 23 1.778 1.024 0.350 1.00 0.00 C ATOM 307 C VAL A 23 2.354 1.259 1.742 1.00 0.00 C ATOM 308 O VAL A 23 1.617 1.371 2.720 1.00 0.00 O ATOM 309 CB VAL A 23 1.011 2.284 -0.095 1.00 0.00 C ATOM 310 CG1 VAL A 23 1.916 3.503 -0.056 1.00 0.00 C ATOM 311 CG2 VAL A 23 0.427 2.087 -1.487 1.00 0.00 C ATOM 0 H VAL A 23 0.200 -0.165 1.048 1.00 0.00 H new ATOM 0 HA VAL A 23 2.591 0.837 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 23 0.188 2.451 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.356 4.382 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.281 3.653 0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.762 3.350 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.112 2.986 -1.786 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.232 1.894 -2.195 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.259 1.240 -1.477 1.00 0.00 H new ATOM 321 N SER A 24 3.680 1.335 1.821 1.00 0.00 N ATOM 322 CA SER A 24 4.356 1.555 3.094 1.00 0.00 C ATOM 323 C SER A 24 3.764 2.756 3.825 1.00 0.00 C ATOM 324 O SER A 24 3.471 3.784 3.215 1.00 0.00 O ATOM 325 CB SER A 24 5.856 1.768 2.870 1.00 0.00 C ATOM 326 OG SER A 24 6.457 0.612 2.317 1.00 0.00 O ATOM 0 H SER A 24 4.305 1.248 1.020 1.00 0.00 H new ATOM 0 HA SER A 24 4.210 0.669 3.711 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.011 2.616 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.337 2.015 3.817 1.00 0.00 H new ATOM 0 HG SER A 24 7.414 0.774 2.182 1.00 0.00 H new ATOM 332 N ARG A 25 3.591 2.616 5.136 1.00 0.00 N ATOM 333 CA ARG A 25 3.031 3.688 5.951 1.00 0.00 C ATOM 334 C ARG A 25 3.706 5.020 5.633 1.00 0.00 C ATOM 335 O ARG A 25 3.046 6.055 5.541 1.00 0.00 O ATOM 336 CB ARG A 25 3.191 3.365 7.437 1.00 0.00 C ATOM 337 CG ARG A 25 4.639 3.200 7.872 1.00 0.00 C ATOM 338 CD ARG A 25 4.745 2.400 9.161 1.00 0.00 C ATOM 339 NE ARG A 25 6.130 2.077 9.491 1.00 0.00 N ATOM 340 CZ ARG A 25 6.965 2.928 10.078 1.00 0.00 C ATOM 341 NH1 ARG A 25 6.555 4.149 10.396 1.00 0.00 N ATOM 342 NH2 ARG A 25 8.211 2.561 10.347 1.00 0.00 N ATOM 0 H ARG A 25 3.830 1.772 5.656 1.00 0.00 H new ATOM 0 HA ARG A 25 1.970 3.772 5.718 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.732 4.160 8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.646 2.448 7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.202 2.699 7.084 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.092 4.181 8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.301 2.968 9.978 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.171 1.479 9.064 1.00 0.00 H new ATOM 0 HE ARG A 25 6.476 1.146 9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.598 4.435 10.190 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.197 4.801 10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.530 1.623 10.103 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.850 3.216 10.798 1.00 0.00 H new ATOM 356 N SER A 26 5.025 4.985 5.468 1.00 0.00 N ATOM 357 CA SER A 26 5.790 6.189 5.166 1.00 0.00 C ATOM 358 C SER A 26 5.429 6.730 3.785 1.00 0.00 C ATOM 359 O SER A 26 5.081 7.901 3.636 1.00 0.00 O ATOM 360 CB SER A 26 7.290 5.897 5.234 1.00 0.00 C ATOM 361 OG SER A 26 7.761 5.963 6.569 1.00 0.00 O ATOM 0 H SER A 26 5.586 4.136 5.538 1.00 0.00 H new ATOM 0 HA SER A 26 5.540 6.944 5.911 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.490 4.908 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.832 6.614 4.618 1.00 0.00 H new ATOM 0 HG SER A 26 8.722 5.771 6.587 1.00 0.00 H new ATOM 367 N ALA A 27 5.515 5.868 2.777 1.00 0.00 N ATOM 368 CA ALA A 27 5.195 6.256 1.410 1.00 0.00 C ATOM 369 C ALA A 27 3.821 6.912 1.332 1.00 0.00 C ATOM 370 O ALA A 27 3.681 8.022 0.818 1.00 0.00 O ATOM 371 CB ALA A 27 5.258 5.047 0.488 1.00 0.00 C ATOM 0 H ALA A 27 5.804 4.895 2.882 1.00 0.00 H new ATOM 0 HA ALA A 27 5.936 6.986 1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.016 5.353 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.262 4.624 0.511 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.540 4.297 0.822 1.00 0.00 H new ATOM 377 N ALA A 28 2.809 6.219 1.844 1.00 0.00 N ATOM 378 CA ALA A 28 1.446 6.735 1.833 1.00 0.00 C ATOM 379 C ALA A 28 1.418 8.216 2.198 1.00 0.00 C ATOM 380 O ALA A 28 0.843 9.030 1.476 1.00 0.00 O ATOM 381 CB ALA A 28 0.572 5.937 2.788 1.00 0.00 C ATOM 0 H ALA A 28 2.908 5.298 2.272 1.00 0.00 H new ATOM 0 HA ALA A 28 1.051 6.629 0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.443 6.333 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.559 4.891 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.973 6.014 3.799 1.00 0.00 H new ATOM 387 N GLU A 29 2.039 8.555 3.322 1.00 0.00 N ATOM 388 CA GLU A 29 2.082 9.938 3.782 1.00 0.00 C ATOM 389 C GLU A 29 2.829 10.820 2.787 1.00 0.00 C ATOM 390 O GLU A 29 2.308 11.837 2.328 1.00 0.00 O ATOM 391 CB GLU A 29 2.751 10.022 5.156 1.00 0.00 C ATOM 392 CG GLU A 29 1.781 9.866 6.316 1.00 0.00 C ATOM 393 CD GLU A 29 2.281 10.524 7.588 1.00 0.00 C ATOM 394 OE1 GLU A 29 3.422 10.227 7.999 1.00 0.00 O ATOM 395 OE2 GLU A 29 1.533 11.336 8.169 1.00 0.00 O ATOM 0 H GLU A 29 2.519 7.892 3.931 1.00 0.00 H new ATOM 0 HA GLU A 29 1.056 10.298 3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.516 9.248 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.259 10.982 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.819 10.299 6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.611 8.806 6.503 1.00 0.00 H new ATOM 403 N TYR A 30 4.054 10.423 2.458 1.00 0.00 N ATOM 404 CA TYR A 30 4.875 11.180 1.519 1.00 0.00 C ATOM 405 C TYR A 30 4.054 11.620 0.310 1.00 0.00 C ATOM 406 O TYR A 30 4.087 12.786 -0.086 1.00 0.00 O ATOM 407 CB TYR A 30 6.068 10.338 1.060 1.00 0.00 C ATOM 408 CG TYR A 30 6.620 10.752 -0.285 1.00 0.00 C ATOM 409 CD1 TYR A 30 7.336 11.933 -0.430 1.00 0.00 C ATOM 410 CD2 TYR A 30 6.426 9.961 -1.410 1.00 0.00 C ATOM 411 CE1 TYR A 30 7.842 12.316 -1.657 1.00 0.00 C ATOM 412 CE2 TYR A 30 6.930 10.335 -2.641 1.00 0.00 C ATOM 413 CZ TYR A 30 7.635 11.514 -2.760 1.00 0.00 C ATOM 414 OH TYR A 30 8.139 11.890 -3.983 1.00 0.00 O ATOM 0 H TYR A 30 4.500 9.583 2.827 1.00 0.00 H new ATOM 0 HA TYR A 30 5.241 12.070 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.860 10.409 1.806 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.767 9.292 1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.500 12.563 0.432 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.872 9.038 -1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.396 13.238 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 30 6.773 9.707 -3.505 1.00 0.00 H new ATOM 0 HH TYR A 30 7.906 11.215 -4.654 1.00 0.00 H new ATOM 424 N LEU A 31 3.320 10.680 -0.273 1.00 0.00 N ATOM 425 CA LEU A 31 2.491 10.968 -1.437 1.00 0.00 C ATOM 426 C LEU A 31 1.446 12.031 -1.111 1.00 0.00 C ATOM 427 O LEU A 31 1.298 13.016 -1.836 1.00 0.00 O ATOM 428 CB LEU A 31 1.800 9.693 -1.926 1.00 0.00 C ATOM 429 CG LEU A 31 1.505 9.623 -3.425 1.00 0.00 C ATOM 430 CD1 LEU A 31 2.781 9.349 -4.207 1.00 0.00 C ATOM 431 CD2 LEU A 31 0.461 8.554 -3.713 1.00 0.00 C ATOM 0 H LEU A 31 3.282 9.711 0.042 1.00 0.00 H new ATOM 0 HA LEU A 31 3.138 11.349 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.424 8.840 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.860 9.583 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 31 1.107 10.586 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.552 9.302 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.498 10.149 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.208 8.399 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.263 8.518 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.831 7.585 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.460 8.793 -3.182 1.00 0.00 H new ATOM 443 N LEU A 32 0.725 11.826 -0.013 1.00 0.00 N ATOM 444 CA LEU A 32 -0.306 12.769 0.412 1.00 0.00 C ATOM 445 C LEU A 32 0.295 14.144 0.690 1.00 0.00 C ATOM 446 O LEU A 32 -0.373 15.166 0.535 1.00 0.00 O ATOM 447 CB LEU A 32 -1.016 12.247 1.663 1.00 0.00 C ATOM 448 CG LEU A 32 -1.862 10.987 1.478 1.00 0.00 C ATOM 449 CD1 LEU A 32 -2.301 10.437 2.826 1.00 0.00 C ATOM 450 CD2 LEU A 32 -3.070 11.280 0.600 1.00 0.00 C ATOM 0 H LEU A 32 0.835 11.017 0.598 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.031 12.867 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.264 12.047 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.659 13.039 2.049 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.252 10.232 0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.902 9.540 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.422 10.189 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.894 11.187 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.661 10.372 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.682 12.051 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.734 11.627 -0.377 1.00 0.00 H new ATOM 462 N SER A 33 1.560 14.159 1.099 1.00 0.00 N ATOM 463 CA SER A 33 2.249 15.408 1.399 1.00 0.00 C ATOM 464 C SER A 33 2.735 16.082 0.119 1.00 0.00 C ATOM 465 O SER A 33 3.319 17.165 0.157 1.00 0.00 O ATOM 466 CB SER A 33 3.433 15.149 2.335 1.00 0.00 C ATOM 467 OG SER A 33 4.223 16.315 2.490 1.00 0.00 O ATOM 0 H SER A 33 2.127 13.321 1.230 1.00 0.00 H new ATOM 0 HA SER A 33 1.543 16.075 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.067 14.822 3.308 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.046 14.341 1.937 1.00 0.00 H new ATOM 0 HG SER A 33 3.984 16.966 1.798 1.00 0.00 H new ATOM 473 N SER A 34 2.490 15.433 -1.014 1.00 0.00 N ATOM 474 CA SER A 34 2.904 15.966 -2.306 1.00 0.00 C ATOM 475 C SER A 34 1.702 16.165 -3.224 1.00 0.00 C ATOM 476 O SER A 34 1.843 16.242 -4.445 1.00 0.00 O ATOM 477 CB SER A 34 3.915 15.028 -2.967 1.00 0.00 C ATOM 478 OG SER A 34 3.337 13.761 -3.233 1.00 0.00 O ATOM 0 H SER A 34 2.006 14.536 -1.063 1.00 0.00 H new ATOM 0 HA SER A 34 3.373 16.935 -2.137 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.273 15.471 -3.897 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.782 14.907 -2.318 1.00 0.00 H new ATOM 0 HG SER A 34 2.440 13.721 -2.840 1.00 0.00 H new ATOM 484 N LEU A 35 0.518 16.246 -2.627 1.00 0.00 N ATOM 485 CA LEU A 35 -0.711 16.435 -3.388 1.00 0.00 C ATOM 486 C LEU A 35 -1.566 17.540 -2.776 1.00 0.00 C ATOM 487 O LEU A 35 -1.170 18.175 -1.797 1.00 0.00 O ATOM 488 CB LEU A 35 -1.508 15.131 -3.444 1.00 0.00 C ATOM 489 CG LEU A 35 -0.808 13.944 -4.108 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.453 12.636 -3.681 1.00 0.00 C ATOM 491 CD2 LEU A 35 -0.838 14.088 -5.623 1.00 0.00 C ATOM 0 H LEU A 35 0.384 16.184 -1.618 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.438 16.730 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.774 14.847 -2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.440 15.321 -3.976 1.00 0.00 H new ATOM 0 HG LEU A 35 0.233 13.933 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.941 11.803 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.378 12.530 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.503 12.635 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.336 13.235 -6.080 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.872 14.125 -5.965 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.327 15.007 -5.911 1.00 0.00 H new ATOM 503 N ILE A 36 -2.741 17.764 -3.356 1.00 0.00 N ATOM 504 CA ILE A 36 -3.653 18.789 -2.866 1.00 0.00 C ATOM 505 C ILE A 36 -3.901 18.634 -1.369 1.00 0.00 C ATOM 506 O ILE A 36 -3.476 17.654 -0.758 1.00 0.00 O ATOM 507 CB ILE A 36 -5.001 18.744 -3.606 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.637 17.359 -3.469 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.815 19.104 -5.073 1.00 0.00 C ATOM 510 CD1 ILE A 36 -7.090 17.316 -3.888 1.00 0.00 C ATOM 0 H ILE A 36 -3.083 17.248 -4.167 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.177 19.751 -3.055 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.669 19.477 -3.155 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.072 16.648 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.557 17.032 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.778 19.067 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.401 20.109 -5.151 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.132 18.393 -5.538 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.475 16.304 -3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.668 18.002 -3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.176 17.611 -4.934 1.00 0.00 H new ATOM 522 N ASN A 37 -4.594 19.606 -0.786 1.00 0.00 N ATOM 523 CA ASN A 37 -4.901 19.577 0.639 1.00 0.00 C ATOM 524 C ASN A 37 -6.268 18.950 0.889 1.00 0.00 C ATOM 525 O ASN A 37 -6.986 19.344 1.808 1.00 0.00 O ATOM 526 CB ASN A 37 -4.861 20.992 1.221 1.00 0.00 C ATOM 527 CG ASN A 37 -3.459 21.569 1.245 1.00 0.00 C ATOM 528 OD1 ASN A 37 -2.925 21.973 0.212 1.00 0.00 O ATOM 529 ND2 ASN A 37 -2.856 21.608 2.426 1.00 0.00 N ATOM 0 H ASN A 37 -4.954 20.424 -1.278 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.146 18.967 1.135 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.508 21.642 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.262 20.976 2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.911 21.984 2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.337 21.262 3.256 1.00 0.00 H new ATOM 536 N GLY A 38 -6.626 17.971 0.063 1.00 0.00 N ATOM 537 CA GLY A 38 -7.907 17.305 0.210 1.00 0.00 C ATOM 538 C GLY A 38 -7.976 16.004 -0.565 1.00 0.00 C ATOM 539 O GLY A 38 -9.016 15.665 -1.130 1.00 0.00 O ATOM 0 H GLY A 38 -6.051 17.627 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.090 17.106 1.266 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.700 17.970 -0.131 1.00 0.00 H new ATOM 543 N SER A 39 -6.866 15.273 -0.592 1.00 0.00 N ATOM 544 CA SER A 39 -6.803 14.004 -1.308 1.00 0.00 C ATOM 545 C SER A 39 -6.706 12.834 -0.333 1.00 0.00 C ATOM 546 O SER A 39 -6.285 12.999 0.812 1.00 0.00 O ATOM 547 CB SER A 39 -5.606 13.990 -2.260 1.00 0.00 C ATOM 548 OG SER A 39 -4.481 14.622 -1.674 1.00 0.00 O ATOM 0 H SER A 39 -5.998 15.538 -0.126 1.00 0.00 H new ATOM 0 HA SER A 39 -7.720 13.896 -1.887 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.355 12.961 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.870 14.497 -3.188 1.00 0.00 H new ATOM 0 HG SER A 39 -4.018 15.158 -2.351 1.00 0.00 H new ATOM 554 N PHE A 40 -7.101 11.654 -0.796 1.00 0.00 N ATOM 555 CA PHE A 40 -7.060 10.454 0.035 1.00 0.00 C ATOM 556 C PHE A 40 -6.474 9.277 -0.738 1.00 0.00 C ATOM 557 O PHE A 40 -6.365 9.317 -1.964 1.00 0.00 O ATOM 558 CB PHE A 40 -8.464 10.105 0.531 1.00 0.00 C ATOM 559 CG PHE A 40 -9.307 9.407 -0.498 1.00 0.00 C ATOM 560 CD1 PHE A 40 -10.035 10.136 -1.426 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.372 8.024 -0.539 1.00 0.00 C ATOM 562 CE1 PHE A 40 -10.811 9.497 -2.374 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.147 7.380 -1.485 1.00 0.00 C ATOM 564 CZ PHE A 40 -10.867 8.118 -2.403 1.00 0.00 C ATOM 0 H PHE A 40 -7.453 11.501 -1.741 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.419 10.657 0.893 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.382 9.470 1.413 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.968 11.020 0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -9.995 11.215 -1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.810 7.442 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.373 10.076 -3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.189 6.301 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.473 7.617 -3.143 1.00 0.00 H new ATOM 574 N LEU A 41 -6.096 8.230 -0.012 1.00 0.00 N ATOM 575 CA LEU A 41 -5.518 7.041 -0.628 1.00 0.00 C ATOM 576 C LEU A 41 -5.891 5.787 0.155 1.00 0.00 C ATOM 577 O LEU A 41 -6.224 5.856 1.340 1.00 0.00 O ATOM 578 CB LEU A 41 -3.997 7.171 -0.710 1.00 0.00 C ATOM 579 CG LEU A 41 -3.224 6.806 0.559 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.898 5.321 0.576 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.950 7.635 0.664 1.00 0.00 C ATOM 0 H LEU A 41 -6.180 8.181 1.003 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.923 6.952 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.641 6.538 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.754 8.199 -0.977 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.852 7.029 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.348 5.080 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.823 4.745 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.289 5.072 -0.293 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.412 7.363 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.318 7.443 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.207 8.694 0.698 1.00 0.00 H new ATOM 593 N VAL A 42 -5.834 4.639 -0.513 1.00 0.00 N ATOM 594 CA VAL A 42 -6.163 3.367 0.122 1.00 0.00 C ATOM 595 C VAL A 42 -5.018 2.371 -0.020 1.00 0.00 C ATOM 596 O VAL A 42 -4.834 1.767 -1.077 1.00 0.00 O ATOM 597 CB VAL A 42 -7.440 2.754 -0.481 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.648 1.338 0.036 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.648 3.627 -0.171 1.00 0.00 C ATOM 0 H VAL A 42 -5.563 4.563 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.332 3.574 1.179 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.323 2.706 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.555 0.921 -0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.794 0.720 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.744 1.357 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.542 3.179 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.770 3.708 0.909 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.498 4.620 -0.595 1.00 0.00 H new ATOM 609 N ARG A 43 -4.252 2.203 1.053 1.00 0.00 N ATOM 610 CA ARG A 43 -3.123 1.281 1.050 1.00 0.00 C ATOM 611 C ARG A 43 -3.551 -0.103 1.533 1.00 0.00 C ATOM 612 O ARG A 43 -4.714 -0.321 1.869 1.00 0.00 O ATOM 613 CB ARG A 43 -1.996 1.815 1.934 1.00 0.00 C ATOM 614 CG ARG A 43 -2.384 1.958 3.397 1.00 0.00 C ATOM 615 CD ARG A 43 -1.619 3.087 4.069 1.00 0.00 C ATOM 616 NE ARG A 43 -1.724 3.028 5.524 1.00 0.00 N ATOM 617 CZ ARG A 43 -1.080 3.855 6.341 1.00 0.00 C ATOM 618 NH1 ARG A 43 -0.290 4.798 5.847 1.00 0.00 N ATOM 619 NH2 ARG A 43 -1.228 3.740 7.655 1.00 0.00 N ATOM 0 H ARG A 43 -4.393 2.694 1.936 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.760 1.195 0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.139 1.146 1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.678 2.786 1.555 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.455 2.147 3.474 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.187 1.022 3.920 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.570 3.037 3.779 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.002 4.045 3.716 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.324 2.313 5.936 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.175 4.890 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.203 5.431 6.476 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.836 3.017 8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.733 4.375 8.281 1.00 0.00 H new ATOM 633 N GLU A 44 -2.602 -1.033 1.563 1.00 0.00 N ATOM 634 CA GLU A 44 -2.882 -2.395 2.004 1.00 0.00 C ATOM 635 C GLU A 44 -1.747 -2.930 2.872 1.00 0.00 C ATOM 636 O GLU A 44 -0.583 -2.577 2.680 1.00 0.00 O ATOM 637 CB GLU A 44 -3.091 -3.312 0.797 1.00 0.00 C ATOM 638 CG GLU A 44 -3.404 -4.750 1.174 1.00 0.00 C ATOM 639 CD GLU A 44 -3.350 -5.689 -0.016 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.162 -5.512 -0.948 1.00 0.00 O ATOM 641 OE2 GLU A 44 -2.499 -6.603 -0.015 1.00 0.00 O ATOM 0 H GLU A 44 -1.634 -0.869 1.288 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.794 -2.376 2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.906 -2.919 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.194 -3.294 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.695 -5.086 1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.396 -4.796 1.624 1.00 0.00 H new ATOM 649 N SER A 45 -2.095 -3.784 3.831 1.00 0.00 N ATOM 650 CA SER A 45 -1.107 -4.363 4.732 1.00 0.00 C ATOM 651 C SER A 45 -0.568 -5.678 4.176 1.00 0.00 C ATOM 652 O SER A 45 -1.270 -6.396 3.464 1.00 0.00 O ATOM 653 CB SER A 45 -1.721 -4.595 6.115 1.00 0.00 C ATOM 654 OG SER A 45 -0.731 -4.976 7.055 1.00 0.00 O ATOM 0 H SER A 45 -3.053 -4.089 4.003 1.00 0.00 H new ATOM 0 HA SER A 45 -0.279 -3.660 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.217 -3.685 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.485 -5.370 6.052 1.00 0.00 H new ATOM 0 HG SER A 45 -1.148 -5.117 7.931 1.00 0.00 H new ATOM 660 N GLU A 46 0.682 -5.985 4.505 1.00 0.00 N ATOM 661 CA GLU A 46 1.314 -7.213 4.038 1.00 0.00 C ATOM 662 C GLU A 46 1.342 -8.266 5.142 1.00 0.00 C ATOM 663 O GLU A 46 1.309 -9.466 4.871 1.00 0.00 O ATOM 664 CB GLU A 46 2.738 -6.927 3.555 1.00 0.00 C ATOM 665 CG GLU A 46 3.313 -8.022 2.672 1.00 0.00 C ATOM 666 CD GLU A 46 4.544 -7.570 1.910 1.00 0.00 C ATOM 667 OE1 GLU A 46 4.415 -7.266 0.704 1.00 0.00 O ATOM 668 OE2 GLU A 46 5.634 -7.523 2.515 1.00 0.00 O ATOM 0 H GLU A 46 1.277 -5.401 5.093 1.00 0.00 H new ATOM 0 HA GLU A 46 0.726 -7.600 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.744 -5.987 3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.386 -6.792 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.568 -8.884 3.288 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.552 -8.350 1.964 1.00 0.00 H new ATOM 676 N SER A 47 1.404 -7.808 6.389 1.00 0.00 N ATOM 677 CA SER A 47 1.441 -8.708 7.533 1.00 0.00 C ATOM 678 C SER A 47 0.558 -9.929 7.293 1.00 0.00 C ATOM 679 O SER A 47 1.025 -11.067 7.349 1.00 0.00 O ATOM 680 CB SER A 47 0.986 -7.978 8.798 1.00 0.00 C ATOM 681 OG SER A 47 2.020 -7.155 9.312 1.00 0.00 O ATOM 0 H SER A 47 1.430 -6.817 6.631 1.00 0.00 H new ATOM 0 HA SER A 47 2.469 -9.045 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.109 -7.370 8.575 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.686 -8.705 9.553 1.00 0.00 H new ATOM 0 HG SER A 47 1.704 -6.698 10.119 1.00 0.00 H new ATOM 687 N SER A 48 -0.719 -9.685 7.025 1.00 0.00 N ATOM 688 CA SER A 48 -1.670 -10.762 6.779 1.00 0.00 C ATOM 689 C SER A 48 -2.494 -10.486 5.525 1.00 0.00 C ATOM 690 O SER A 48 -2.921 -9.360 5.269 1.00 0.00 O ATOM 691 CB SER A 48 -2.597 -10.939 7.984 1.00 0.00 C ATOM 692 OG SER A 48 -1.864 -11.303 9.142 1.00 0.00 O ATOM 0 H SER A 48 -1.121 -8.749 6.972 1.00 0.00 H new ATOM 0 HA SER A 48 -1.106 -11.682 6.626 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.139 -10.012 8.169 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.341 -11.705 7.765 1.00 0.00 H new ATOM 0 HG SER A 48 -2.478 -11.408 9.898 1.00 0.00 H new ATOM 698 N PRO A 49 -2.725 -11.536 4.725 1.00 0.00 N ATOM 699 CA PRO A 49 -3.499 -11.434 3.485 1.00 0.00 C ATOM 700 C PRO A 49 -4.980 -11.183 3.746 1.00 0.00 C ATOM 701 O PRO A 49 -5.781 -12.116 3.776 1.00 0.00 O ATOM 702 CB PRO A 49 -3.296 -12.798 2.825 1.00 0.00 C ATOM 703 CG PRO A 49 -2.996 -13.724 3.952 1.00 0.00 C ATOM 704 CD PRO A 49 -2.247 -12.908 4.969 1.00 0.00 C ATOM 0 HA PRO A 49 -3.173 -10.596 2.869 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.188 -13.111 2.282 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.477 -12.772 2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.913 -14.131 4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.398 -14.570 3.613 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.465 -13.235 5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.168 -12.988 4.833 1.00 0.00 H new ATOM 712 N GLY A 50 -5.339 -9.916 3.935 1.00 0.00 N ATOM 713 CA GLY A 50 -6.723 -9.567 4.191 1.00 0.00 C ATOM 714 C GLY A 50 -6.858 -8.378 5.120 1.00 0.00 C ATOM 715 O GLY A 50 -7.720 -8.366 6.000 1.00 0.00 O ATOM 0 H GLY A 50 -4.695 -9.125 3.915 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.219 -9.344 3.246 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.236 -10.424 4.626 1.00 0.00 H new ATOM 719 N GLN A 51 -6.005 -7.378 4.928 1.00 0.00 N ATOM 720 CA GLN A 51 -6.033 -6.179 5.759 1.00 0.00 C ATOM 721 C GLN A 51 -5.990 -4.920 4.900 1.00 0.00 C ATOM 722 O GLN A 51 -5.327 -4.886 3.863 1.00 0.00 O ATOM 723 CB GLN A 51 -4.857 -6.184 6.738 1.00 0.00 C ATOM 724 CG GLN A 51 -5.135 -6.952 8.020 1.00 0.00 C ATOM 725 CD GLN A 51 -4.340 -6.427 9.199 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.741 -5.465 9.855 1.00 0.00 O ATOM 727 NE2 GLN A 51 -3.204 -7.058 9.474 1.00 0.00 N ATOM 0 H GLN A 51 -5.286 -7.373 4.205 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.966 -6.180 6.323 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.987 -6.619 6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.600 -5.155 6.989 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -6.199 -6.895 8.250 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.898 -8.005 7.867 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.910 -7.851 8.904 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.626 -6.750 10.255 1.00 0.00 H new ATOM 736 N LEU A 52 -6.701 -3.886 5.339 1.00 0.00 N ATOM 737 CA LEU A 52 -6.744 -2.623 4.610 1.00 0.00 C ATOM 738 C LEU A 52 -6.747 -1.440 5.573 1.00 0.00 C ATOM 739 O LEU A 52 -7.010 -1.596 6.765 1.00 0.00 O ATOM 740 CB LEU A 52 -7.983 -2.571 3.714 1.00 0.00 C ATOM 741 CG LEU A 52 -7.972 -3.500 2.500 1.00 0.00 C ATOM 742 CD1 LEU A 52 -9.391 -3.858 2.089 1.00 0.00 C ATOM 743 CD2 LEU A 52 -7.226 -2.855 1.341 1.00 0.00 C ATOM 0 H LEU A 52 -7.255 -3.898 6.195 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.851 -2.559 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.856 -2.810 4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.110 -1.547 3.362 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.452 -4.418 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.363 -4.520 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.893 -4.362 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.936 -2.949 1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.228 -3.531 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.717 -1.921 1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.198 -2.651 1.639 1.00 0.00 H new ATOM 755 N SER A 53 -6.456 -0.255 5.046 1.00 0.00 N ATOM 756 CA SER A 53 -6.425 0.956 5.858 1.00 0.00 C ATOM 757 C SER A 53 -6.602 2.197 4.988 1.00 0.00 C ATOM 758 O SER A 53 -6.024 2.299 3.907 1.00 0.00 O ATOM 759 CB SER A 53 -5.107 1.044 6.629 1.00 0.00 C ATOM 760 OG SER A 53 -4.921 -0.093 7.455 1.00 0.00 O ATOM 0 H SER A 53 -6.238 -0.108 4.060 1.00 0.00 H new ATOM 0 HA SER A 53 -7.251 0.910 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.277 1.127 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 53 -5.099 1.946 7.240 1.00 0.00 H new ATOM 0 HG SER A 53 -5.772 -0.568 7.554 1.00 0.00 H new ATOM 766 N ILE A 54 -7.406 3.138 5.471 1.00 0.00 N ATOM 767 CA ILE A 54 -7.660 4.374 4.740 1.00 0.00 C ATOM 768 C ILE A 54 -6.826 5.523 5.296 1.00 0.00 C ATOM 769 O ILE A 54 -6.844 5.791 6.498 1.00 0.00 O ATOM 770 CB ILE A 54 -9.149 4.763 4.792 1.00 0.00 C ATOM 771 CG1 ILE A 54 -10.000 3.706 4.086 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.362 6.131 4.158 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.416 3.619 4.612 1.00 0.00 C ATOM 0 H ILE A 54 -7.893 3.069 6.365 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.377 4.191 3.703 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.459 4.815 5.836 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.030 3.929 3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.520 2.733 4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.419 6.392 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.781 6.877 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -9.038 6.104 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.961 2.849 4.065 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.395 3.365 5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.913 4.580 4.478 1.00 0.00 H new ATOM 785 N SER A 55 -6.099 6.201 4.415 1.00 0.00 N ATOM 786 CA SER A 55 -5.256 7.321 4.817 1.00 0.00 C ATOM 787 C SER A 55 -5.597 8.573 4.013 1.00 0.00 C ATOM 788 O SER A 55 -5.311 8.656 2.818 1.00 0.00 O ATOM 789 CB SER A 55 -3.779 6.969 4.632 1.00 0.00 C ATOM 790 OG SER A 55 -2.970 7.651 5.575 1.00 0.00 O ATOM 0 H SER A 55 -6.076 5.994 3.416 1.00 0.00 H new ATOM 0 HA SER A 55 -5.443 7.524 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.642 5.893 4.741 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.464 7.230 3.622 1.00 0.00 H new ATOM 0 HG SER A 55 -2.031 7.408 5.437 1.00 0.00 H new ATOM 796 N LEU A 56 -6.210 9.546 4.678 1.00 0.00 N ATOM 797 CA LEU A 56 -6.590 10.796 4.028 1.00 0.00 C ATOM 798 C LEU A 56 -5.903 11.985 4.690 1.00 0.00 C ATOM 799 O LEU A 56 -5.817 12.061 5.915 1.00 0.00 O ATOM 800 CB LEU A 56 -8.108 10.977 4.075 1.00 0.00 C ATOM 801 CG LEU A 56 -8.651 11.781 5.258 1.00 0.00 C ATOM 802 CD1 LEU A 56 -8.299 13.252 5.110 1.00 0.00 C ATOM 803 CD2 LEU A 56 -10.158 11.599 5.378 1.00 0.00 C ATOM 0 H LEU A 56 -6.455 9.494 5.667 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.268 10.748 2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.424 11.465 3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.571 9.991 4.088 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.186 11.409 6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.693 13.808 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.215 13.365 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.735 13.640 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.528 12.178 6.224 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.640 11.945 4.464 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.386 10.544 5.532 1.00 0.00 H new ATOM 815 N ARG A 57 -5.417 12.913 3.871 1.00 0.00 N ATOM 816 CA ARG A 57 -4.739 14.099 4.377 1.00 0.00 C ATOM 817 C ARG A 57 -5.747 15.176 4.766 1.00 0.00 C ATOM 818 O ARG A 57 -6.735 15.399 4.065 1.00 0.00 O ATOM 819 CB ARG A 57 -3.771 14.646 3.326 1.00 0.00 C ATOM 820 CG ARG A 57 -2.553 15.336 3.921 1.00 0.00 C ATOM 821 CD ARG A 57 -2.841 16.795 4.238 1.00 0.00 C ATOM 822 NE ARG A 57 -2.675 17.654 3.069 1.00 0.00 N ATOM 823 CZ ARG A 57 -1.495 18.077 2.628 1.00 0.00 C ATOM 824 NH1 ARG A 57 -0.383 17.722 3.259 1.00 0.00 N ATOM 825 NH2 ARG A 57 -1.425 18.854 1.556 1.00 0.00 N ATOM 0 H ARG A 57 -5.481 12.865 2.854 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.176 13.815 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.439 13.827 2.689 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.302 15.352 2.687 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.248 14.818 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.719 15.272 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.859 16.889 4.615 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.175 17.131 5.032 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.511 17.946 2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.433 17.124 4.084 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.522 18.047 2.919 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.278 19.128 1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.518 19.178 1.219 1.00 0.00 H new ATOM 839 N TYR A 58 -5.490 15.843 5.886 1.00 0.00 N ATOM 840 CA TYR A 58 -6.376 16.895 6.369 1.00 0.00 C ATOM 841 C TYR A 58 -5.597 17.946 7.155 1.00 0.00 C ATOM 842 O TYR A 58 -4.911 17.628 8.126 1.00 0.00 O ATOM 843 CB TYR A 58 -7.478 16.300 7.247 1.00 0.00 C ATOM 844 CG TYR A 58 -8.487 17.320 7.728 1.00 0.00 C ATOM 845 CD1 TYR A 58 -9.512 17.756 6.897 1.00 0.00 C ATOM 846 CD2 TYR A 58 -8.413 17.846 9.012 1.00 0.00 C ATOM 847 CE1 TYR A 58 -10.435 18.687 7.333 1.00 0.00 C ATOM 848 CE2 TYR A 58 -9.333 18.777 9.454 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.342 19.195 8.612 1.00 0.00 C ATOM 850 OH TYR A 58 -11.259 20.123 9.050 1.00 0.00 O ATOM 0 H TYR A 58 -4.675 15.674 6.476 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.830 17.377 5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.998 15.523 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.022 15.817 8.111 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.588 17.361 5.895 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.624 17.522 9.675 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.226 19.016 6.675 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -9.262 19.176 10.455 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.052 20.377 9.974 1.00 0.00 H new ATOM 860 N GLU A 59 -5.707 19.199 6.726 1.00 0.00 N ATOM 861 CA GLU A 59 -5.013 20.297 7.389 1.00 0.00 C ATOM 862 C GLU A 59 -3.519 20.008 7.498 1.00 0.00 C ATOM 863 O GLU A 59 -2.858 20.446 8.438 1.00 0.00 O ATOM 864 CB GLU A 59 -5.601 20.534 8.782 1.00 0.00 C ATOM 865 CG GLU A 59 -6.909 21.306 8.768 1.00 0.00 C ATOM 866 CD GLU A 59 -7.171 22.035 10.071 1.00 0.00 C ATOM 867 OE1 GLU A 59 -7.182 21.371 11.129 1.00 0.00 O ATOM 868 OE2 GLU A 59 -7.367 23.268 10.033 1.00 0.00 O ATOM 0 H GLU A 59 -6.270 19.479 5.923 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.149 21.196 6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.762 19.571 9.267 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.875 21.078 9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.892 22.026 7.950 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.731 20.618 8.570 1.00 0.00 H new ATOM 876 N GLY A 60 -2.993 19.268 6.527 1.00 0.00 N ATOM 877 CA GLY A 60 -1.581 18.933 6.531 1.00 0.00 C ATOM 878 C GLY A 60 -1.300 17.618 7.231 1.00 0.00 C ATOM 879 O GLY A 60 -0.418 16.864 6.820 1.00 0.00 O ATOM 0 H GLY A 60 -3.520 18.894 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.221 18.879 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.023 19.730 7.023 1.00 0.00 H new ATOM 883 N ARG A 61 -2.049 17.342 8.293 1.00 0.00 N ATOM 884 CA ARG A 61 -1.874 16.110 9.054 1.00 0.00 C ATOM 885 C ARG A 61 -2.564 14.940 8.359 1.00 0.00 C ATOM 886 O ARG A 61 -3.621 15.103 7.749 1.00 0.00 O ATOM 887 CB ARG A 61 -2.429 16.277 10.470 1.00 0.00 C ATOM 888 CG ARG A 61 -1.678 17.305 11.300 1.00 0.00 C ATOM 889 CD ARG A 61 -2.278 18.693 11.144 1.00 0.00 C ATOM 890 NE ARG A 61 -1.936 19.567 12.264 1.00 0.00 N ATOM 891 CZ ARG A 61 -2.502 20.751 12.471 1.00 0.00 C ATOM 892 NH1 ARG A 61 -3.432 21.201 11.640 1.00 0.00 N ATOM 893 NH2 ARG A 61 -2.137 21.487 13.514 1.00 0.00 N ATOM 0 H ARG A 61 -2.784 17.955 8.647 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.807 15.897 9.113 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.478 16.568 10.408 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.395 15.315 10.981 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.701 17.013 12.350 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.631 17.324 10.997 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.923 19.139 10.215 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.362 18.612 11.065 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.224 19.251 12.923 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.715 20.638 10.838 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.864 22.111 11.802 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.422 21.143 14.156 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.571 22.396 13.674 1.00 0.00 H new ATOM 907 N VAL A 62 -1.960 13.760 8.458 1.00 0.00 N ATOM 908 CA VAL A 62 -2.517 12.562 7.840 1.00 0.00 C ATOM 909 C VAL A 62 -3.278 11.722 8.860 1.00 0.00 C ATOM 910 O VAL A 62 -2.798 11.486 9.968 1.00 0.00 O ATOM 911 CB VAL A 62 -1.416 11.698 7.199 1.00 0.00 C ATOM 912 CG1 VAL A 62 -2.008 10.425 6.613 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.672 12.489 6.133 1.00 0.00 C ATOM 0 H VAL A 62 -1.085 13.608 8.960 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.204 12.896 7.063 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.703 11.415 7.974 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.214 9.828 6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.492 9.851 7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.743 10.683 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.103 11.863 5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.372 12.803 5.358 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.214 13.368 6.586 1.00 0.00 H new ATOM 923 N TYR A 63 -4.468 11.272 8.477 1.00 0.00 N ATOM 924 CA TYR A 63 -5.297 10.459 9.359 1.00 0.00 C ATOM 925 C TYR A 63 -5.401 9.027 8.843 1.00 0.00 C ATOM 926 O TYR A 63 -5.536 8.797 7.640 1.00 0.00 O ATOM 927 CB TYR A 63 -6.695 11.069 9.485 1.00 0.00 C ATOM 928 CG TYR A 63 -6.720 12.369 10.259 1.00 0.00 C ATOM 929 CD1 TYR A 63 -6.281 13.552 9.680 1.00 0.00 C ATOM 930 CD2 TYR A 63 -7.185 12.411 11.568 1.00 0.00 C ATOM 931 CE1 TYR A 63 -6.300 14.741 10.383 1.00 0.00 C ATOM 932 CE2 TYR A 63 -7.210 13.596 12.277 1.00 0.00 C ATOM 933 CZ TYR A 63 -6.766 14.759 11.681 1.00 0.00 C ATOM 934 OH TYR A 63 -6.790 15.941 12.385 1.00 0.00 O ATOM 0 H TYR A 63 -4.880 11.456 7.562 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.825 10.439 10.342 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.098 11.242 8.487 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.353 10.351 9.975 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.918 13.543 8.663 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.532 11.503 12.038 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.952 15.652 9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.575 13.613 13.293 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.148 15.780 13.283 1.00 0.00 H new ATOM 944 N HIS A 64 -5.337 8.067 9.759 1.00 0.00 N ATOM 945 CA HIS A 64 -5.424 6.657 9.399 1.00 0.00 C ATOM 946 C HIS A 64 -6.675 6.020 9.995 1.00 0.00 C ATOM 947 O HIS A 64 -7.098 6.374 11.096 1.00 0.00 O ATOM 948 CB HIS A 64 -4.179 5.909 9.875 1.00 0.00 C ATOM 949 CG HIS A 64 -4.065 5.826 11.365 1.00 0.00 C ATOM 950 ND1 HIS A 64 -4.491 4.737 12.095 1.00 0.00 N ATOM 951 CD2 HIS A 64 -3.566 6.707 12.266 1.00 0.00 C ATOM 952 CE1 HIS A 64 -4.261 4.950 13.377 1.00 0.00 C ATOM 953 NE2 HIS A 64 -3.700 6.139 13.508 1.00 0.00 N ATOM 0 H HIS A 64 -5.225 8.240 10.758 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.486 6.588 8.313 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.191 4.900 9.463 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -3.293 6.405 9.478 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.142 7.676 12.047 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.492 4.268 14.182 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.413 6.565 14.389 1.00 0.00 H new ATOM 962 N TYR A 65 -7.262 5.081 9.263 1.00 0.00 N ATOM 963 CA TYR A 65 -8.467 4.397 9.718 1.00 0.00 C ATOM 964 C TYR A 65 -8.402 2.907 9.395 1.00 0.00 C ATOM 965 O TYR A 65 -8.478 2.510 8.233 1.00 0.00 O ATOM 966 CB TYR A 65 -9.706 5.018 9.072 1.00 0.00 C ATOM 967 CG TYR A 65 -9.620 6.519 8.917 1.00 0.00 C ATOM 968 CD1 TYR A 65 -9.369 7.337 10.011 1.00 0.00 C ATOM 969 CD2 TYR A 65 -9.793 7.120 7.675 1.00 0.00 C ATOM 970 CE1 TYR A 65 -9.290 8.709 9.874 1.00 0.00 C ATOM 971 CE2 TYR A 65 -9.714 8.491 7.529 1.00 0.00 C ATOM 972 CZ TYR A 65 -9.463 9.282 8.631 1.00 0.00 C ATOM 973 OH TYR A 65 -9.385 10.648 8.489 1.00 0.00 O ATOM 0 H TYR A 65 -6.923 4.775 8.351 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.534 4.513 10.800 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.858 4.568 8.091 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.581 4.773 9.674 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.233 6.892 10.986 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.992 6.504 6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -9.094 9.330 10.735 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.848 8.942 6.557 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.105 10.957 7.900 1.00 0.00 H new ATOM 983 N ARG A 66 -8.262 2.089 10.433 1.00 0.00 N ATOM 984 CA ARG A 66 -8.187 0.643 10.261 1.00 0.00 C ATOM 985 C ARG A 66 -9.557 0.065 9.916 1.00 0.00 C ATOM 986 O ARG A 66 -10.564 0.420 10.530 1.00 0.00 O ATOM 987 CB ARG A 66 -7.649 -0.016 11.532 1.00 0.00 C ATOM 988 CG ARG A 66 -6.815 -1.258 11.268 1.00 0.00 C ATOM 989 CD ARG A 66 -6.988 -2.291 12.371 1.00 0.00 C ATOM 990 NE ARG A 66 -6.030 -2.096 13.457 1.00 0.00 N ATOM 991 CZ ARG A 66 -6.073 -2.767 14.603 1.00 0.00 C ATOM 992 NH1 ARG A 66 -7.020 -3.672 14.810 1.00 0.00 N ATOM 993 NH2 ARG A 66 -5.167 -2.536 15.542 1.00 0.00 N ATOM 0 H ARG A 66 -8.198 2.403 11.401 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.506 0.435 9.436 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.044 0.708 12.078 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.487 -0.282 12.176 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.103 -1.694 10.311 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.764 -0.981 11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.002 -2.233 12.767 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.865 -3.291 11.954 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.288 -1.408 13.328 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.718 -3.854 14.089 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.051 -4.186 15.691 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.436 -1.842 15.385 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.201 -3.052 16.421 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.586 -0.827 8.931 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.831 -1.453 8.506 1.00 0.00 C ATOM 1009 C ILE A 67 -11.186 -2.636 9.402 1.00 0.00 C ATOM 1010 O ILE A 67 -10.319 -3.421 9.781 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.748 -1.937 7.046 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.829 -0.748 6.087 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.859 -2.936 6.755 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.534 0.024 5.972 1.00 0.00 C ATOM 0 H ILE A 67 -8.762 -1.132 8.413 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.609 -0.694 8.585 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.790 -2.435 6.897 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.117 -1.107 5.099 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.616 -0.073 6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.787 -3.269 5.720 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.760 -3.794 7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.827 -2.461 6.917 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.665 0.852 5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.254 0.413 6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.748 -0.637 5.606 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.467 -2.756 9.734 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.937 -3.843 10.585 1.00 0.00 C ATOM 1028 C ASN A 68 -13.777 -4.835 9.785 1.00 0.00 C ATOM 1029 O ASN A 68 -14.711 -4.451 9.083 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.756 -3.288 11.752 1.00 0.00 C ATOM 1031 CG ASN A 68 -12.955 -2.342 12.624 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -11.926 -2.719 13.185 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -13.422 -1.104 12.739 1.00 0.00 N ATOM 0 H ASN A 68 -13.198 -2.114 9.427 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.066 -4.366 10.979 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.630 -2.766 11.363 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.123 -4.115 12.360 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.923 -0.422 13.310 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.279 -0.835 12.256 1.00 0.00 H new ATOM 1040 N THR A 69 -13.436 -6.115 9.897 1.00 0.00 N ATOM 1041 CA THR A 69 -14.157 -7.163 9.185 1.00 0.00 C ATOM 1042 C THR A 69 -14.915 -8.065 10.153 1.00 0.00 C ATOM 1043 O THR A 69 -14.375 -8.490 11.175 1.00 0.00 O ATOM 1044 CB THR A 69 -13.203 -8.026 8.339 1.00 0.00 C ATOM 1045 OG1 THR A 69 -12.244 -7.191 7.677 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.975 -8.835 7.307 1.00 0.00 C ATOM 0 H THR A 69 -12.665 -6.451 10.474 1.00 0.00 H new ATOM 0 HA THR A 69 -14.867 -6.665 8.525 1.00 0.00 H new ATOM 0 HB THR A 69 -12.686 -8.716 9.006 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.640 -7.747 7.142 1.00 0.00 H new ATOM 0 HG21 THR A 69 -13.279 -9.436 6.722 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.684 -9.490 7.814 1.00 0.00 H new ATOM 0 HG23 THR A 69 -14.516 -8.159 6.645 1.00 0.00 H new ATOM 1054 N THR A 70 -16.170 -8.354 9.826 1.00 0.00 N ATOM 1055 CA THR A 70 -17.002 -9.206 10.667 1.00 0.00 C ATOM 1056 C THR A 70 -16.889 -10.667 10.252 1.00 0.00 C ATOM 1057 O THR A 70 -16.283 -10.987 9.230 1.00 0.00 O ATOM 1058 CB THR A 70 -18.482 -8.780 10.607 1.00 0.00 C ATOM 1059 OG1 THR A 70 -19.075 -9.240 9.387 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.615 -7.267 10.702 1.00 0.00 C ATOM 0 H THR A 70 -16.633 -8.011 8.985 1.00 0.00 H new ATOM 0 HA THR A 70 -16.639 -9.093 11.689 1.00 0.00 H new ATOM 0 HB THR A 70 -19.000 -9.228 11.455 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.016 -8.967 9.357 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.668 -6.991 10.657 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.189 -6.923 11.645 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.083 -6.802 9.872 1.00 0.00 H new ATOM 1068 N ALA A 71 -17.476 -11.553 11.052 1.00 0.00 N ATOM 1069 CA ALA A 71 -17.443 -12.982 10.766 1.00 0.00 C ATOM 1070 C ALA A 71 -17.605 -13.246 9.273 1.00 0.00 C ATOM 1071 O ALA A 71 -16.672 -13.694 8.607 1.00 0.00 O ATOM 1072 CB ALA A 71 -18.526 -13.702 11.553 1.00 0.00 C ATOM 0 H ALA A 71 -17.980 -11.305 11.903 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.471 -13.367 11.073 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.490 -14.768 11.330 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.363 -13.549 12.620 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.503 -13.306 11.274 1.00 0.00 H new ATOM 1078 N ASP A 72 -18.796 -12.967 8.754 1.00 0.00 N ATOM 1079 CA ASP A 72 -19.080 -13.175 7.339 1.00 0.00 C ATOM 1080 C ASP A 72 -18.040 -12.480 6.466 1.00 0.00 C ATOM 1081 O ASP A 72 -17.218 -13.131 5.825 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.479 -12.658 6.997 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.565 -13.360 7.786 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -22.045 -12.779 8.783 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -21.937 -14.491 7.408 1.00 0.00 O ATOM 0 H ASP A 72 -19.580 -12.597 9.292 1.00 0.00 H new ATOM 0 HA ASP A 72 -19.037 -14.246 7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.525 -11.587 7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.663 -12.794 5.931 1.00 0.00 H new ATOM 1091 N GLY A 73 -18.083 -11.150 6.448 1.00 0.00 N ATOM 1092 CA GLY A 73 -17.139 -10.389 5.652 1.00 0.00 C ATOM 1093 C GLY A 73 -17.692 -9.042 5.229 1.00 0.00 C ATOM 1094 O GLY A 73 -18.107 -8.863 4.084 1.00 0.00 O ATOM 0 H GLY A 73 -18.755 -10.588 6.970 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -16.223 -10.239 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.870 -10.963 4.765 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.702 -8.090 6.158 1.00 0.00 N ATOM 1099 CA LYS A 74 -18.208 -6.753 5.878 1.00 0.00 C ATOM 1100 C LYS A 74 -17.239 -5.688 6.381 1.00 0.00 C ATOM 1101 O LYS A 74 -17.040 -5.534 7.585 1.00 0.00 O ATOM 1102 CB LYS A 74 -19.579 -6.557 6.529 1.00 0.00 C ATOM 1103 CG LYS A 74 -20.618 -7.567 6.074 1.00 0.00 C ATOM 1104 CD LYS A 74 -22.023 -7.136 6.459 1.00 0.00 C ATOM 1105 CE LYS A 74 -23.049 -8.203 6.114 1.00 0.00 C ATOM 1106 NZ LYS A 74 -24.223 -8.161 7.030 1.00 0.00 N ATOM 0 H LYS A 74 -17.365 -8.222 7.112 1.00 0.00 H new ATOM 0 HA LYS A 74 -18.307 -6.649 4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -19.471 -6.622 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.938 -5.553 6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -20.558 -7.690 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -20.400 -8.539 6.518 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.060 -6.927 7.528 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -22.274 -6.209 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -23.385 -8.065 5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.582 -9.186 6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -24.899 -8.904 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -23.906 -8.318 8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.684 -7.231 6.961 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.637 -4.953 5.450 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.690 -3.901 5.799 1.00 0.00 C ATOM 1122 C VAL A 75 -16.413 -2.604 6.139 1.00 0.00 C ATOM 1123 O VAL A 75 -17.375 -2.221 5.471 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.697 -3.637 4.652 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.848 -4.870 4.386 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.437 -3.209 3.394 1.00 0.00 C ATOM 0 H VAL A 75 -16.789 -5.067 4.448 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.139 -4.247 6.674 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.033 -2.825 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -13.152 -4.664 3.572 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.288 -5.127 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.494 -5.704 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.719 -3.027 2.594 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.126 -3.998 3.091 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.997 -2.295 3.594 1.00 0.00 H new ATOM 1136 N TYR A 76 -15.944 -1.927 7.182 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.546 -0.672 7.613 1.00 0.00 C ATOM 1138 C TYR A 76 -15.724 -0.026 8.726 1.00 0.00 C ATOM 1139 O TYR A 76 -15.588 -0.582 9.815 1.00 0.00 O ATOM 1140 CB TYR A 76 -17.979 -0.908 8.096 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.060 -1.596 9.439 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -17.790 -2.953 9.565 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.407 -0.890 10.583 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -17.865 -3.586 10.790 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.482 -1.513 11.814 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.211 -2.863 11.912 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.285 -3.489 13.135 1.00 0.00 O ATOM 0 H TYR A 76 -15.148 -2.227 7.745 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.563 0.004 6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.495 0.050 8.156 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.508 -1.509 7.357 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.517 -3.523 8.689 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.622 0.166 10.509 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -17.654 -4.642 10.869 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -18.751 -0.947 12.694 1.00 0.00 H new ATOM 0 HH TYR A 76 -18.540 -2.837 13.821 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.179 1.152 8.440 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.370 1.876 9.416 1.00 0.00 C ATOM 1159 C VAL A 77 -15.222 2.857 10.214 1.00 0.00 C ATOM 1160 O VAL A 77 -15.187 4.064 9.974 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.224 2.644 8.734 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.250 1.678 8.078 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -13.775 3.632 7.716 1.00 0.00 C ATOM 0 H VAL A 77 -15.282 1.625 7.542 1.00 0.00 H new ATOM 0 HA VAL A 77 -13.947 1.133 10.092 1.00 0.00 H new ATOM 0 HB VAL A 77 -12.684 3.206 9.496 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.447 2.239 7.601 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.830 1.015 8.834 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.774 1.086 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.950 4.166 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.341 3.094 6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.429 4.345 8.218 1.00 0.00 H new ATOM 1173 N THR A 78 -15.988 2.332 11.165 1.00 0.00 N ATOM 1174 CA THR A 78 -16.849 3.161 11.997 1.00 0.00 C ATOM 1175 C THR A 78 -17.526 2.333 13.084 1.00 0.00 C ATOM 1176 O THR A 78 -17.413 1.108 13.105 1.00 0.00 O ATOM 1177 CB THR A 78 -17.930 3.870 11.160 1.00 0.00 C ATOM 1178 OG1 THR A 78 -18.967 4.364 12.013 1.00 0.00 O ATOM 1179 CG2 THR A 78 -18.525 2.920 10.131 1.00 0.00 C ATOM 0 H THR A 78 -16.029 1.335 11.378 1.00 0.00 H new ATOM 0 HA THR A 78 -16.210 3.912 12.460 1.00 0.00 H new ATOM 0 HB THR A 78 -17.463 4.704 10.637 1.00 0.00 H new ATOM 0 HG1 THR A 78 -19.649 4.815 11.472 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.286 3.442 9.551 1.00 0.00 H new ATOM 0 HG22 THR A 78 -17.739 2.568 9.463 1.00 0.00 H new ATOM 0 HG23 THR A 78 -18.977 2.069 10.640 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.231 3.010 13.985 1.00 0.00 N ATOM 1188 CA ALA A 79 -18.927 2.336 15.074 1.00 0.00 C ATOM 1189 C ALA A 79 -20.394 2.750 15.125 1.00 0.00 C ATOM 1190 O ALA A 79 -21.006 2.768 16.193 1.00 0.00 O ATOM 1191 CB ALA A 79 -18.246 2.631 16.401 1.00 0.00 C ATOM 0 H ALA A 79 -18.335 4.025 13.982 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.885 1.262 14.890 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -18.778 2.121 17.204 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -17.215 2.279 16.367 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -18.257 3.705 16.584 1.00 0.00 H new ATOM 1197 N GLU A 80 -20.953 3.082 13.965 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.347 3.498 13.880 1.00 0.00 C ATOM 1199 C GLU A 80 -23.051 2.807 12.715 1.00 0.00 C ATOM 1200 O GLU A 80 -24.209 2.407 12.825 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.441 5.017 13.720 1.00 0.00 C ATOM 1202 CG GLU A 80 -21.806 5.791 14.863 1.00 0.00 C ATOM 1203 CD GLU A 80 -22.376 7.188 15.009 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -21.583 8.153 15.017 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -23.614 7.317 15.113 1.00 0.00 O ATOM 0 H GLU A 80 -20.461 3.071 13.072 1.00 0.00 H new ATOM 0 HA GLU A 80 -22.843 3.207 14.806 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -21.960 5.306 12.786 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.490 5.301 13.639 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -21.954 5.243 15.794 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.730 5.857 14.699 1.00 0.00 H new ATOM 1213 N SER A 81 -22.340 2.672 11.599 1.00 0.00 N ATOM 1214 CA SER A 81 -22.898 2.035 10.412 1.00 0.00 C ATOM 1215 C SER A 81 -21.933 0.994 9.851 1.00 0.00 C ATOM 1216 O SER A 81 -20.826 0.819 10.361 1.00 0.00 O ATOM 1217 CB SER A 81 -23.211 3.084 9.344 1.00 0.00 C ATOM 1218 OG SER A 81 -24.479 3.678 9.568 1.00 0.00 O ATOM 0 H SER A 81 -21.378 2.995 11.493 1.00 0.00 H new ATOM 0 HA SER A 81 -23.822 1.533 10.699 1.00 0.00 H new ATOM 0 HB2 SER A 81 -22.439 3.854 9.349 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.192 2.620 8.358 1.00 0.00 H new ATOM 0 HG SER A 81 -24.655 4.346 8.873 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.363 0.305 8.799 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.540 -0.720 8.170 1.00 0.00 C ATOM 1226 C ARG A 82 -21.679 -0.673 6.651 1.00 0.00 C ATOM 1227 O ARG A 82 -22.457 0.115 6.113 1.00 0.00 O ATOM 1228 CB ARG A 82 -21.928 -2.106 8.686 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.453 -2.385 10.102 1.00 0.00 C ATOM 1230 CD ARG A 82 -21.197 -3.868 10.323 1.00 0.00 C ATOM 1231 NE ARG A 82 -22.418 -4.589 10.669 1.00 0.00 N ATOM 1232 CZ ARG A 82 -23.086 -4.402 11.803 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -22.652 -3.522 12.693 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -24.190 -5.097 12.045 1.00 0.00 N ATOM 0 H ARG A 82 -23.276 0.438 8.365 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.500 -0.523 8.429 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -23.013 -2.207 8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.515 -2.862 8.018 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.539 -1.824 10.297 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.201 -2.034 10.813 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -20.765 -4.300 9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -20.464 -3.994 11.119 1.00 0.00 H new ATOM 0 HE ARG A 82 -22.778 -5.274 10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -21.804 -2.986 12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -23.166 -3.380 13.562 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -24.526 -5.775 11.361 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -24.703 -4.954 12.915 1.00 0.00 H new ATOM 1248 N PHE A 83 -20.920 -1.521 5.965 1.00 0.00 N ATOM 1249 CA PHE A 83 -20.958 -1.575 4.508 1.00 0.00 C ATOM 1250 C PHE A 83 -20.839 -3.015 4.015 1.00 0.00 C ATOM 1251 O PHE A 83 -20.313 -3.881 4.713 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.833 -0.726 3.916 1.00 0.00 C ATOM 1253 CG PHE A 83 -19.889 0.717 4.330 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -20.684 1.620 3.641 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -19.147 1.171 5.408 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -20.738 2.947 4.020 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -19.198 2.497 5.792 1.00 0.00 C ATOM 1258 CZ PHE A 83 -19.993 3.388 5.097 1.00 0.00 C ATOM 0 H PHE A 83 -20.271 -2.180 6.395 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.917 -1.175 4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.874 -1.146 4.219 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -19.877 -0.786 2.829 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -21.268 1.282 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -18.522 0.481 5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.362 3.640 3.475 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -18.616 2.837 6.636 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.032 4.425 5.394 1.00 0.00 H new ATOM 1268 N SER A 84 -21.330 -3.261 2.805 1.00 0.00 N ATOM 1269 CA SER A 84 -21.283 -4.595 2.217 1.00 0.00 C ATOM 1270 C SER A 84 -19.860 -4.957 1.806 1.00 0.00 C ATOM 1271 O SER A 84 -19.266 -5.896 2.338 1.00 0.00 O ATOM 1272 CB SER A 84 -22.213 -4.676 1.004 1.00 0.00 C ATOM 1273 OG SER A 84 -23.555 -4.413 1.374 1.00 0.00 O ATOM 0 H SER A 84 -21.765 -2.554 2.212 1.00 0.00 H new ATOM 0 HA SER A 84 -21.618 -5.308 2.970 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.893 -3.959 0.248 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.144 -5.666 0.554 1.00 0.00 H new ATOM 0 HG SER A 84 -24.130 -4.469 0.582 1.00 0.00 H new ATOM 1279 N THR A 85 -19.315 -4.205 0.854 1.00 0.00 N ATOM 1280 CA THR A 85 -17.962 -4.447 0.369 1.00 0.00 C ATOM 1281 C THR A 85 -17.104 -3.192 0.490 1.00 0.00 C ATOM 1282 O THR A 85 -17.545 -2.174 1.024 1.00 0.00 O ATOM 1283 CB THR A 85 -17.966 -4.912 -1.099 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.648 -3.952 -1.916 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.641 -6.269 -1.235 1.00 0.00 C ATOM 0 H THR A 85 -19.791 -3.423 0.404 1.00 0.00 H new ATOM 0 HA THR A 85 -17.539 -5.236 0.991 1.00 0.00 H new ATOM 0 HB THR A 85 -16.932 -5.002 -1.431 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.645 -4.254 -2.848 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.632 -6.577 -2.281 1.00 0.00 H new ATOM 0 HG22 THR A 85 -18.104 -7.004 -0.636 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.671 -6.199 -0.886 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.874 -3.272 -0.007 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.953 -2.144 0.046 1.00 0.00 C ATOM 1295 C LEU A 86 -15.419 -1.018 -0.871 1.00 0.00 C ATOM 1296 O LEU A 86 -15.473 0.143 -0.468 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.545 -2.591 -0.351 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.397 -1.710 0.142 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.496 -1.495 1.644 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -11.055 -2.329 -0.221 1.00 0.00 C ATOM 0 H LEU A 86 -15.492 -4.107 -0.451 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.933 -1.770 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.387 -3.602 0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.495 -2.643 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.473 -0.740 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.671 -0.866 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.442 -1.008 1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.447 -2.457 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.250 -1.688 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.970 -3.312 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -10.982 -2.431 -1.304 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.756 -1.370 -2.107 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.221 -0.389 -3.082 1.00 0.00 C ATOM 1314 C ALA A 87 -17.260 0.543 -2.467 1.00 0.00 C ATOM 1315 O ALA A 87 -17.209 1.757 -2.662 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.796 -1.090 -4.303 1.00 0.00 C ATOM 0 H ALA A 87 -15.716 -2.327 -2.458 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.367 0.213 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -17.139 -0.346 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -16.027 -1.711 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.635 -1.717 -4.001 1.00 0.00 H new ATOM 1322 N GLU A 88 -18.201 -0.033 -1.726 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.253 0.748 -1.085 1.00 0.00 C ATOM 1324 C GLU A 88 -18.696 1.554 0.084 1.00 0.00 C ATOM 1325 O GLU A 88 -19.241 2.596 0.452 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.376 -0.170 -0.598 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.920 -1.092 -1.677 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.563 -0.334 -2.823 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.017 -0.383 -3.945 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.610 0.306 -2.597 1.00 0.00 O ATOM 0 H GLU A 88 -18.257 -1.037 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.656 1.442 -1.823 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -20.007 -0.773 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.191 0.441 -0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.110 -1.710 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.653 -1.768 -1.237 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.607 1.063 0.667 1.00 0.00 N ATOM 1339 CA LEU A 89 -16.976 1.736 1.797 1.00 0.00 C ATOM 1340 C LEU A 89 -16.348 3.057 1.361 1.00 0.00 C ATOM 1341 O LEU A 89 -16.587 4.100 1.971 1.00 0.00 O ATOM 1342 CB LEU A 89 -15.910 0.834 2.423 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.200 1.392 3.657 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.782 0.264 4.587 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -13.993 2.221 3.246 1.00 0.00 C ATOM 0 H LEU A 89 -17.143 0.202 0.376 1.00 0.00 H new ATOM 0 HA LEU A 89 -17.746 1.947 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.377 -0.113 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.159 0.613 1.665 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.895 2.038 4.193 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.278 0.680 5.460 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.665 -0.290 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.103 -0.408 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.499 2.611 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.295 1.596 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.318 3.051 2.619 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.546 3.006 0.303 1.00 0.00 N ATOM 1358 CA VAL A 90 -14.886 4.197 -0.215 1.00 0.00 C ATOM 1359 C VAL A 90 -15.827 5.006 -1.101 1.00 0.00 C ATOM 1360 O VAL A 90 -15.742 6.232 -1.160 1.00 0.00 O ATOM 1361 CB VAL A 90 -13.625 3.835 -1.022 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -12.884 5.093 -1.449 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -12.718 2.922 -0.212 1.00 0.00 C ATOM 0 H VAL A 90 -15.338 2.151 -0.213 1.00 0.00 H new ATOM 0 HA VAL A 90 -14.597 4.798 0.647 1.00 0.00 H new ATOM 0 HB VAL A 90 -13.932 3.300 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.996 4.817 -2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.537 5.707 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.588 5.658 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -11.832 2.676 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.418 3.428 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.253 2.006 0.038 1.00 0.00 H new ATOM 1373 N HIS A 91 -16.728 4.308 -1.788 1.00 0.00 N ATOM 1374 CA HIS A 91 -17.689 4.963 -2.670 1.00 0.00 C ATOM 1375 C HIS A 91 -18.729 5.735 -1.864 1.00 0.00 C ATOM 1376 O HIS A 91 -19.069 6.870 -2.199 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.381 3.929 -3.559 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.324 4.531 -4.556 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -18.946 5.502 -5.458 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -20.636 4.294 -4.787 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -19.984 5.837 -6.201 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -21.023 5.117 -5.815 1.00 0.00 N ATOM 0 H HIS A 91 -16.812 3.292 -1.751 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.146 5.669 -3.299 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -17.623 3.353 -4.090 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -18.930 3.229 -2.929 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -21.262 3.589 -4.261 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -19.984 6.574 -6.990 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -21.960 5.165 -6.216 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.228 5.113 -0.802 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.230 5.743 0.052 1.00 0.00 C ATOM 1393 C HIS A 92 -19.618 6.889 0.853 1.00 0.00 C ATOM 1394 O HIS A 92 -20.113 8.016 0.821 1.00 0.00 O ATOM 1395 CB HIS A 92 -20.843 4.712 1.001 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.041 5.219 1.743 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.303 4.685 1.587 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.164 6.217 2.649 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.151 5.334 2.367 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -23.486 6.268 3.021 1.00 0.00 N ATOM 0 H HIS A 92 -18.956 4.174 -0.511 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.014 6.148 -0.588 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.127 3.828 0.430 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.087 4.397 1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.371 6.854 3.012 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.209 5.134 2.454 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -23.888 6.921 3.693 1.00 0.00 H new ATOM 1409 N HIS A 93 -18.539 6.593 1.570 1.00 0.00 N ATOM 1410 CA HIS A 93 -17.860 7.598 2.380 1.00 0.00 C ATOM 1411 C HIS A 93 -17.580 8.856 1.562 1.00 0.00 C ATOM 1412 O HIS A 93 -17.676 9.973 2.069 1.00 0.00 O ATOM 1413 CB HIS A 93 -16.553 7.037 2.937 1.00 0.00 C ATOM 1414 CG HIS A 93 -16.717 6.318 4.242 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -17.537 6.772 5.252 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.163 5.169 4.695 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -17.479 5.935 6.274 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -16.652 4.953 5.960 1.00 0.00 N ATOM 0 H HIS A 93 -18.116 5.666 1.607 1.00 0.00 H new ATOM 0 HA HIS A 93 -18.515 7.863 3.210 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.120 6.353 2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -15.843 7.854 3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -15.466 4.540 4.161 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.016 6.036 7.206 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -16.415 4.163 6.560 1.00 0.00 H new ATOM 1427 N SER A 94 -17.231 8.664 0.293 1.00 0.00 N ATOM 1428 CA SER A 94 -16.932 9.783 -0.594 1.00 0.00 C ATOM 1429 C SER A 94 -18.013 10.854 -0.500 1.00 0.00 C ATOM 1430 O SER A 94 -17.793 12.009 -0.867 1.00 0.00 O ATOM 1431 CB SER A 94 -16.803 9.295 -2.038 1.00 0.00 C ATOM 1432 OG SER A 94 -18.079 9.117 -2.632 1.00 0.00 O ATOM 0 H SER A 94 -17.148 7.746 -0.143 1.00 0.00 H new ATOM 0 HA SER A 94 -15.984 10.221 -0.281 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.225 10.015 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 94 -16.254 8.354 -2.060 1.00 0.00 H new ATOM 0 HG SER A 94 -18.597 8.471 -2.108 1.00 0.00 H new ATOM 1438 N THR A 95 -19.184 10.464 -0.008 1.00 0.00 N ATOM 1439 CA THR A 95 -20.302 11.388 0.132 1.00 0.00 C ATOM 1440 C THR A 95 -20.260 12.100 1.480 1.00 0.00 C ATOM 1441 O THR A 95 -19.932 13.285 1.559 1.00 0.00 O ATOM 1442 CB THR A 95 -21.653 10.664 -0.009 1.00 0.00 C ATOM 1443 OG1 THR A 95 -21.719 9.994 -1.273 1.00 0.00 O ATOM 1444 CG2 THR A 95 -22.809 11.645 0.110 1.00 0.00 C ATOM 0 H THR A 95 -19.383 9.512 0.301 1.00 0.00 H new ATOM 0 HA THR A 95 -20.207 12.121 -0.669 1.00 0.00 H new ATOM 0 HB THR A 95 -21.734 9.933 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.581 9.534 -1.355 1.00 0.00 H new ATOM 0 HG21 THR A 95 -23.753 11.109 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 95 -22.773 12.133 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 95 -22.731 12.397 -0.676 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.593 11.372 2.540 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.591 11.933 3.886 1.00 0.00 C ATOM 1454 C VAL A 96 -19.492 11.310 4.740 1.00 0.00 C ATOM 1455 O VAL A 96 -19.258 10.103 4.686 1.00 0.00 O ATOM 1456 CB VAL A 96 -21.948 11.724 4.583 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.272 10.241 4.686 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -21.947 12.373 5.958 1.00 0.00 C ATOM 0 H VAL A 96 -20.868 10.391 2.493 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.405 13.002 3.783 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.722 12.201 3.982 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.234 10.112 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.317 9.808 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.497 9.738 5.264 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -22.914 12.215 6.436 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.163 11.927 6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -21.763 13.443 5.855 1.00 0.00 H new ATOM 1468 N ALA A 97 -18.820 12.142 5.529 1.00 0.00 N ATOM 1469 CA ALA A 97 -17.748 11.672 6.397 1.00 0.00 C ATOM 1470 C ALA A 97 -18.175 10.436 7.179 1.00 0.00 C ATOM 1471 O ALA A 97 -17.508 9.402 7.136 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.318 12.778 7.350 1.00 0.00 C ATOM 0 H ALA A 97 -18.999 13.145 5.585 1.00 0.00 H new ATOM 0 HA ALA A 97 -16.901 11.397 5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.517 12.413 7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -16.962 13.634 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.167 13.080 7.964 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.290 10.547 7.892 1.00 0.00 N ATOM 1479 CA ASP A 98 -19.807 9.438 8.684 1.00 0.00 C ATOM 1480 C ASP A 98 -18.725 8.871 9.598 1.00 0.00 C ATOM 1481 O ASP A 98 -18.738 7.688 9.932 1.00 0.00 O ATOM 1482 CB ASP A 98 -20.344 8.338 7.767 1.00 0.00 C ATOM 1483 CG ASP A 98 -21.364 7.454 8.459 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -21.083 6.995 9.587 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -22.443 7.223 7.875 1.00 0.00 O ATOM 0 H ASP A 98 -19.854 11.396 7.938 1.00 0.00 H new ATOM 0 HA ASP A 98 -20.620 9.814 9.304 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -20.799 8.793 6.887 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -19.514 7.724 7.416 1.00 0.00 H new ATOM 1491 N GLY A 99 -17.788 9.726 9.997 1.00 0.00 N ATOM 1492 CA GLY A 99 -16.711 9.294 10.867 1.00 0.00 C ATOM 1493 C GLY A 99 -15.357 9.804 10.414 1.00 0.00 C ATOM 1494 O GLY A 99 -14.692 10.548 11.136 1.00 0.00 O ATOM 0 H GLY A 99 -17.756 10.711 9.733 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.906 9.643 11.881 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.692 8.205 10.902 1.00 0.00 H new ATOM 1498 N LEU A 100 -14.947 9.402 9.216 1.00 0.00 N ATOM 1499 CA LEU A 100 -13.662 9.822 8.666 1.00 0.00 C ATOM 1500 C LEU A 100 -13.458 11.323 8.846 1.00 0.00 C ATOM 1501 O LEU A 100 -14.390 12.111 8.686 1.00 0.00 O ATOM 1502 CB LEU A 100 -13.576 9.459 7.184 1.00 0.00 C ATOM 1503 CG LEU A 100 -12.998 8.080 6.863 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -13.984 6.986 7.238 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -12.628 7.986 5.389 1.00 0.00 C ATOM 0 H LEU A 100 -15.485 8.786 8.607 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.874 9.299 9.208 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -14.577 9.520 6.757 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.969 10.211 6.681 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.093 7.941 7.454 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -13.554 6.012 7.002 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -14.198 7.039 8.306 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -14.908 7.121 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.218 6.998 5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -13.517 8.147 4.780 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.883 8.746 5.152 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.231 11.713 9.180 1.00 0.00 N ATOM 1518 CA VAL A 101 -11.903 13.118 9.378 1.00 0.00 C ATOM 1519 C VAL A 101 -12.711 14.009 8.441 1.00 0.00 C ATOM 1520 O VAL A 101 -13.167 15.086 8.828 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.403 13.382 9.152 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.165 14.840 8.786 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -9.603 12.997 10.388 1.00 0.00 C ATOM 0 H VAL A 101 -11.448 11.074 9.319 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.155 13.358 10.411 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.065 12.764 8.320 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.099 15.007 8.630 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.707 15.079 7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.518 15.480 9.594 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -8.545 13.190 10.211 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -9.942 13.587 11.239 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.748 11.938 10.600 1.00 0.00 H new ATOM 1533 N THR A 102 -12.887 13.553 7.204 1.00 0.00 N ATOM 1534 CA THR A 102 -13.640 14.308 6.210 1.00 0.00 C ATOM 1535 C THR A 102 -13.904 13.466 4.966 1.00 0.00 C ATOM 1536 O THR A 102 -13.074 12.649 4.569 1.00 0.00 O ATOM 1537 CB THR A 102 -12.897 15.592 5.801 1.00 0.00 C ATOM 1538 OG1 THR A 102 -13.724 16.383 4.939 1.00 0.00 O ATOM 1539 CG2 THR A 102 -11.591 15.260 5.093 1.00 0.00 C ATOM 0 H THR A 102 -12.518 12.664 6.867 1.00 0.00 H new ATOM 0 HA THR A 102 -14.590 14.579 6.670 1.00 0.00 H new ATOM 0 HB THR A 102 -12.669 16.157 6.705 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.245 17.199 4.685 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.084 16.183 4.814 1.00 0.00 H new ATOM 0 HG22 THR A 102 -10.952 14.683 5.761 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.801 14.676 4.197 1.00 0.00 H new ATOM 1547 N THR A 103 -15.066 13.673 4.355 1.00 0.00 N ATOM 1548 CA THR A 103 -15.440 12.934 3.156 1.00 0.00 C ATOM 1549 C THR A 103 -14.269 12.832 2.185 1.00 0.00 C ATOM 1550 O THR A 103 -13.398 13.702 2.155 1.00 0.00 O ATOM 1551 CB THR A 103 -16.632 13.595 2.437 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.268 14.906 1.990 1.00 0.00 O ATOM 1553 CG2 THR A 103 -17.838 13.684 3.360 1.00 0.00 C ATOM 0 H THR A 103 -15.764 14.346 4.671 1.00 0.00 H new ATOM 0 HA THR A 103 -15.729 11.934 3.479 1.00 0.00 H new ATOM 0 HB THR A 103 -16.897 12.980 1.577 1.00 0.00 H new ATOM 0 HG1 THR A 103 -17.030 15.319 1.533 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.667 14.154 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.130 12.682 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.582 14.280 4.236 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.255 11.766 1.393 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.190 11.550 0.419 1.00 0.00 C ATOM 1563 C LEU A 104 -13.418 12.392 -0.832 1.00 0.00 C ATOM 1564 O LEU A 104 -14.147 11.990 -1.739 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.108 10.070 0.043 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.314 9.076 1.187 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.745 7.721 0.644 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -12.041 8.940 2.012 1.00 0.00 C ATOM 0 H LEU A 104 -14.969 11.037 1.406 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.248 11.855 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -13.854 9.869 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.132 9.882 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.105 9.455 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.887 7.026 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.681 7.830 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.976 7.336 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -12.206 8.229 2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.231 8.584 1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.773 9.910 2.431 1.00 0.00 H new ATOM 1580 N HIS A 105 -12.788 13.562 -0.875 1.00 0.00 N ATOM 1581 CA HIS A 105 -12.919 14.459 -2.017 1.00 0.00 C ATOM 1582 C HIS A 105 -12.343 13.823 -3.278 1.00 0.00 C ATOM 1583 O HIS A 105 -13.080 13.481 -4.204 1.00 0.00 O ATOM 1584 CB HIS A 105 -12.213 15.786 -1.734 1.00 0.00 C ATOM 1585 CG HIS A 105 -12.860 16.589 -0.648 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -12.306 16.746 0.604 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -14.021 17.284 -0.634 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -13.100 17.502 1.343 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -14.147 17.842 0.616 1.00 0.00 N ATOM 0 H HIS A 105 -12.182 13.911 -0.132 1.00 0.00 H new ATOM 0 HA HIS A 105 -13.980 14.647 -2.179 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -11.178 15.586 -1.459 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -12.191 16.379 -2.649 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -14.719 17.382 -1.453 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -12.922 17.792 2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -14.923 18.424 0.930 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.024 13.667 -3.308 1.00 0.00 N ATOM 1599 CA TYR A 106 -10.350 13.075 -4.456 1.00 0.00 C ATOM 1600 C TYR A 106 -9.402 11.962 -4.018 1.00 0.00 C ATOM 1601 O TYR A 106 -8.623 12.112 -3.076 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.578 14.144 -5.229 1.00 0.00 C ATOM 1603 CG TYR A 106 -10.400 15.371 -5.553 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -11.436 15.311 -6.478 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -10.142 16.587 -4.936 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -12.190 16.429 -6.779 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.892 17.710 -5.229 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.915 17.626 -6.151 1.00 0.00 C ATOM 1609 OH TYR A 106 -12.663 18.742 -6.446 1.00 0.00 O ATOM 0 H TYR A 106 -10.400 13.943 -2.549 1.00 0.00 H new ATOM 0 HA TYR A 106 -11.110 12.644 -5.108 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.707 14.444 -4.646 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.206 13.711 -6.158 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -11.655 14.375 -6.970 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.341 16.657 -4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.990 16.366 -7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.679 18.648 -4.739 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.341 19.501 -5.917 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.469 10.820 -4.716 1.00 0.00 N ATOM 1620 CA PRO A 107 -8.623 9.659 -4.419 1.00 0.00 C ATOM 1621 C PRO A 107 -7.159 9.904 -4.770 1.00 0.00 C ATOM 1622 O PRO A 107 -6.761 11.032 -5.060 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.208 8.557 -5.305 1.00 0.00 C ATOM 1624 CG PRO A 107 -9.861 9.283 -6.430 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.374 10.572 -5.851 1.00 0.00 C ATOM 0 HA PRO A 107 -8.624 9.415 -3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -8.430 7.885 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -9.927 7.948 -4.757 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.152 9.472 -7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -10.675 8.695 -6.854 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.337 11.382 -6.579 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.411 10.482 -5.526 1.00 0.00 H new ATOM 1633 N ALA A 108 -6.364 8.840 -4.744 1.00 0.00 N ATOM 1634 CA ALA A 108 -4.945 8.939 -5.063 1.00 0.00 C ATOM 1635 C ALA A 108 -4.716 8.905 -6.570 1.00 0.00 C ATOM 1636 O ALA A 108 -5.303 8.098 -7.292 1.00 0.00 O ATOM 1637 CB ALA A 108 -4.171 7.817 -4.384 1.00 0.00 C ATOM 0 H ALA A 108 -6.678 7.899 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.581 9.896 -4.689 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.113 7.904 -4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -4.298 7.889 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.547 6.854 -4.730 1.00 0.00 H new