USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 398 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 44 CYS SG : rot 147:sc= 2.18 USER MOD Set 1.2: A 47 CYS SG : rot -45:sc= 0.0975 USER MOD Set 1.3: A 65 CYS SG : rot -134:sc= -0.884! USER MOD Set 1.4: A 68 CYS SG : rot 149:sc= 1.06 USER MOD Set 2.1: A 18 CYS SG : rot 173:sc= -0.965 USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -5.37! C(o=-6.8!,f=-11!) USER MOD Set 2.4: A 41 CYS SG : rot -159:sc= -0.484 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 0:sc= -0.48! USER MOD Single : A 32 TYR OH : rot 165:sc= -0.0066 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 69:sc= 0.206 USER MOD Single : A 48 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.047) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 54 GLN : amide:sc=-0.00564 X(o=-0.0056,f=-0.17) USER MOD Single : A 55 GLN : amide:sc= -0.0785 K(o=-0.079,f=-1.9!) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 58 SER OG : rot -101:sc= 0.265 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.889 11.166 -2.588 1.00 0.00 N ATOM 194 CA PRO A 16 2.945 10.378 -1.791 1.00 0.00 C ATOM 195 C PRO A 16 3.610 9.722 -0.586 1.00 0.00 C ATOM 196 O PRO A 16 4.834 9.600 -0.531 1.00 0.00 O ATOM 197 CB PRO A 16 2.452 9.314 -2.775 1.00 0.00 C ATOM 198 CG PRO A 16 3.552 9.181 -3.771 1.00 0.00 C ATOM 199 CD PRO A 16 4.165 10.548 -3.896 1.00 0.00 C ATOM 0 HA PRO A 16 2.149 10.995 -1.375 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.258 8.367 -2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.520 9.617 -3.252 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.291 8.451 -3.441 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.169 8.836 -4.731 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.235 10.492 -4.096 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.717 11.116 -4.711 1.00 0.00 H new ATOM 207 N ARG A 17 2.796 9.300 0.376 1.00 0.00 N ATOM 208 CA ARG A 17 3.307 8.657 1.581 1.00 0.00 C ATOM 209 C ARG A 17 2.521 7.387 1.893 1.00 0.00 C ATOM 210 O ARG A 17 1.299 7.348 1.749 1.00 0.00 O ATOM 211 CB ARG A 17 3.234 9.619 2.768 1.00 0.00 C ATOM 212 CG ARG A 17 3.956 10.935 2.531 1.00 0.00 C ATOM 213 CD ARG A 17 4.088 11.738 3.815 1.00 0.00 C ATOM 214 NE ARG A 17 4.578 13.092 3.567 1.00 0.00 N ATOM 215 CZ ARG A 17 3.782 14.131 3.339 1.00 0.00 C ATOM 216 NH1 ARG A 17 2.466 13.972 3.328 1.00 0.00 N ATOM 217 NH2 ARG A 17 4.303 15.331 3.122 1.00 0.00 N ATOM 0 H ARG A 17 1.781 9.392 0.345 1.00 0.00 H new ATOM 0 HA ARG A 17 4.348 8.386 1.405 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.188 9.824 2.995 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.661 9.133 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.946 10.739 2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.413 11.520 1.789 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.119 11.789 4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.768 11.225 4.495 1.00 0.00 H new ATOM 0 HE ARG A 17 5.586 13.248 3.569 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.062 13.050 3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.857 14.771 3.153 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.315 15.457 3.130 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.692 16.128 2.947 1.00 0.00 H new ATOM 231 N CYS A 18 3.232 6.348 2.322 1.00 0.00 N ATOM 232 CA CYS A 18 2.603 5.076 2.654 1.00 0.00 C ATOM 233 C CYS A 18 1.327 5.294 3.462 1.00 0.00 C ATOM 234 O CYS A 18 1.338 5.974 4.487 1.00 0.00 O ATOM 235 CB CYS A 18 3.574 4.193 3.441 1.00 0.00 C ATOM 236 SG CYS A 18 2.935 2.527 3.806 1.00 0.00 S ATOM 0 H CYS A 18 4.244 6.363 2.447 1.00 0.00 H new ATOM 0 HA CYS A 18 2.340 4.575 1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.502 4.099 2.877 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.821 4.690 4.379 1.00 0.00 H new ATOM 0 HG CYS A 18 3.880 1.805 4.331 1.00 0.00 H new ATOM 241 N ALA A 19 0.229 4.711 2.992 1.00 0.00 N ATOM 242 CA ALA A 19 -1.054 4.839 3.671 1.00 0.00 C ATOM 243 C ALA A 19 -1.002 4.220 5.064 1.00 0.00 C ATOM 244 O ALA A 19 -1.885 4.452 5.890 1.00 0.00 O ATOM 245 CB ALA A 19 -2.156 4.192 2.845 1.00 0.00 C ATOM 0 H ALA A 19 0.203 4.145 2.144 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.274 5.901 3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.109 4.295 3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.218 4.682 1.873 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.932 3.135 2.705 1.00 0.00 H new ATOM 251 N ARG A 20 0.037 3.432 5.318 1.00 0.00 N ATOM 252 CA ARG A 20 0.202 2.778 6.610 1.00 0.00 C ATOM 253 C ARG A 20 1.099 3.605 7.527 1.00 0.00 C ATOM 254 O ARG A 20 0.706 3.964 8.638 1.00 0.00 O ATOM 255 CB ARG A 20 0.795 1.379 6.426 1.00 0.00 C ATOM 256 CG ARG A 20 1.193 0.710 7.731 1.00 0.00 C ATOM 257 CD ARG A 20 0.008 0.020 8.388 1.00 0.00 C ATOM 258 NE ARG A 20 -1.107 0.938 8.607 1.00 0.00 N ATOM 259 CZ ARG A 20 -2.193 0.971 7.843 1.00 0.00 C ATOM 260 NH1 ARG A 20 -2.309 0.141 6.816 1.00 0.00 N ATOM 261 NH2 ARG A 20 -3.165 1.835 8.107 1.00 0.00 N ATOM 0 H ARG A 20 0.777 3.231 4.646 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.781 2.691 7.073 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.068 0.750 5.912 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.671 1.447 5.780 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.981 -0.019 7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.605 1.455 8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.322 -0.809 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.320 -0.406 9.342 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.048 1.589 9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.564 -0.524 6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.144 0.168 6.230 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.078 2.474 8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.999 1.860 7.520 1.00 0.00 H new ATOM 275 N CYS A 21 2.304 3.903 7.055 1.00 0.00 N ATOM 276 CA CYS A 21 3.257 4.687 7.832 1.00 0.00 C ATOM 277 C CYS A 21 3.101 6.177 7.542 1.00 0.00 C ATOM 278 O CYS A 21 3.144 7.005 8.452 1.00 0.00 O ATOM 279 CB CYS A 21 4.688 4.243 7.520 1.00 0.00 C ATOM 280 SG CYS A 21 4.880 2.444 7.310 1.00 0.00 S ATOM 0 H CYS A 21 2.644 3.614 6.138 1.00 0.00 H new ATOM 0 HA CYS A 21 3.052 4.517 8.889 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.021 4.742 6.610 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.344 4.576 8.324 1.00 0.00 H new ATOM 0 HG CYS A 21 6.123 2.168 7.047 1.00 0.00 H new ATOM 285 N SER A 22 2.918 6.510 6.269 1.00 0.00 N ATOM 286 CA SER A 22 2.758 7.900 5.858 1.00 0.00 C ATOM 287 C SER A 22 4.077 8.658 5.980 1.00 0.00 C ATOM 288 O SER A 22 4.134 9.737 6.569 1.00 0.00 O ATOM 289 CB SER A 22 1.684 8.584 6.706 1.00 0.00 C ATOM 290 OG SER A 22 1.095 9.667 6.006 1.00 0.00 O ATOM 0 H SER A 22 2.877 5.837 5.504 1.00 0.00 H new ATOM 0 HA SER A 22 2.448 7.911 4.813 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.915 7.861 6.977 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.125 8.944 7.636 1.00 0.00 H new ATOM 0 HG SER A 22 0.411 10.087 6.568 1.00 0.00 H new ATOM 296 N LYS A 23 5.135 8.085 5.417 1.00 0.00 N ATOM 297 CA LYS A 23 6.454 8.704 5.460 1.00 0.00 C ATOM 298 C LYS A 23 6.807 9.327 4.113 1.00 0.00 C ATOM 299 O LYS A 23 6.837 10.550 3.972 1.00 0.00 O ATOM 300 CB LYS A 23 7.514 7.670 5.848 1.00 0.00 C ATOM 301 CG LYS A 23 7.396 7.187 7.283 1.00 0.00 C ATOM 302 CD LYS A 23 8.743 6.755 7.839 1.00 0.00 C ATOM 303 CE LYS A 23 9.544 7.944 8.347 1.00 0.00 C ATOM 304 NZ LYS A 23 10.566 7.536 9.350 1.00 0.00 N ATOM 0 H LYS A 23 5.105 7.192 4.925 1.00 0.00 H new ATOM 0 HA LYS A 23 6.432 9.493 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.437 6.814 5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.503 8.103 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.984 7.983 7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.697 6.352 7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.591 6.044 8.651 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.309 6.238 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.035 8.436 7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.868 8.673 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.091 8.374 9.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.096 7.089 10.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.227 6.859 8.917 1.00 0.00 H new ATOM 318 N THR A 24 7.071 8.479 3.124 1.00 0.00 N ATOM 319 CA THR A 24 7.420 8.947 1.789 1.00 0.00 C ATOM 320 C THR A 24 7.410 7.800 0.785 1.00 0.00 C ATOM 321 O THR A 24 7.493 6.630 1.161 1.00 0.00 O ATOM 322 CB THR A 24 8.808 9.616 1.773 1.00 0.00 C ATOM 323 OG1 THR A 24 9.618 9.088 2.829 1.00 0.00 O ATOM 324 CG2 THR A 24 8.683 11.124 1.928 1.00 0.00 C ATOM 0 H THR A 24 7.050 7.464 3.223 1.00 0.00 H new ATOM 0 HA THR A 24 6.667 9.682 1.505 1.00 0.00 H new ATOM 0 HB THR A 24 9.279 9.403 0.813 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.499 9.517 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.675 11.575 1.914 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.090 11.526 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.194 11.353 2.875 1.00 0.00 H new ATOM 332 N LEU A 25 7.309 8.142 -0.495 1.00 0.00 N ATOM 333 CA LEU A 25 7.289 7.140 -1.555 1.00 0.00 C ATOM 334 C LEU A 25 7.912 7.689 -2.835 1.00 0.00 C ATOM 335 O LEU A 25 7.357 8.582 -3.476 1.00 0.00 O ATOM 336 CB LEU A 25 5.853 6.686 -1.827 1.00 0.00 C ATOM 337 CG LEU A 25 5.263 5.691 -0.827 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.760 5.887 -0.704 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.585 4.263 -1.241 1.00 0.00 C ATOM 0 H LEU A 25 7.240 9.105 -0.824 1.00 0.00 H new ATOM 0 HA LEU A 25 7.878 6.284 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.213 7.568 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.817 6.237 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 25 5.714 5.875 0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.357 5.170 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.552 6.900 -0.360 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.292 5.731 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.157 3.569 -0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.163 4.066 -2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.666 4.129 -1.276 1.00 0.00 H new ATOM 396 N VAL A 30 3.942 1.545 -4.756 1.00 0.00 N ATOM 397 CA VAL A 30 2.689 0.964 -5.225 1.00 0.00 C ATOM 398 C VAL A 30 1.489 1.684 -4.620 1.00 0.00 C ATOM 399 O VAL A 30 1.642 2.580 -3.789 1.00 0.00 O ATOM 400 CB VAL A 30 2.602 -0.535 -4.879 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.607 -1.331 -5.698 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.824 -0.752 -3.390 1.00 0.00 C ATOM 0 HA VAL A 30 2.671 1.081 -6.309 1.00 0.00 H new ATOM 0 HB VAL A 30 1.602 -0.890 -5.129 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.531 -2.387 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.396 -1.200 -6.759 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.615 -0.976 -5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.759 -1.816 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.810 -0.381 -3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.062 -0.214 -2.826 1.00 0.00 H new ATOM 412 N THR A 31 0.293 1.287 -5.043 1.00 0.00 N ATOM 413 CA THR A 31 -0.934 1.895 -4.545 1.00 0.00 C ATOM 414 C THR A 31 -2.030 0.851 -4.362 1.00 0.00 C ATOM 415 O THR A 31 -2.323 0.079 -5.275 1.00 0.00 O ATOM 416 CB THR A 31 -1.442 2.995 -5.495 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.551 3.681 -4.902 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.862 2.404 -6.832 1.00 0.00 C ATOM 0 H THR A 31 0.148 0.547 -5.730 1.00 0.00 H new ATOM 0 HA THR A 31 -0.696 2.341 -3.579 1.00 0.00 H new ATOM 0 HB THR A 31 -0.628 3.700 -5.667 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.741 3.295 -4.021 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.217 3.200 -7.486 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.009 1.908 -7.295 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.661 1.680 -6.675 1.00 0.00 H new ATOM 426 N TYR A 32 -2.632 0.833 -3.179 1.00 0.00 N ATOM 427 CA TYR A 32 -3.696 -0.118 -2.876 1.00 0.00 C ATOM 428 C TYR A 32 -4.987 0.607 -2.511 1.00 0.00 C ATOM 429 O TYR A 32 -5.025 1.391 -1.563 1.00 0.00 O ATOM 430 CB TYR A 32 -3.273 -1.040 -1.731 1.00 0.00 C ATOM 431 CG TYR A 32 -4.438 -1.639 -0.976 1.00 0.00 C ATOM 432 CD1 TYR A 32 -5.087 -0.922 0.022 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.890 -2.922 -1.260 1.00 0.00 C ATOM 434 CE1 TYR A 32 -6.151 -1.466 0.715 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.954 -3.473 -0.573 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.581 -2.742 0.414 1.00 0.00 C ATOM 437 OH TYR A 32 -7.641 -3.287 1.102 1.00 0.00 O ATOM 0 H TYR A 32 -2.402 1.466 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.878 -0.718 -3.768 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.658 -1.845 -2.132 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.649 -0.479 -1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.754 0.077 0.260 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.401 -3.498 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.644 -0.895 1.488 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.293 -4.471 -0.808 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.972 -4.075 0.623 1.00 0.00 H new ATOM 447 N ARG A 33 -6.044 0.338 -3.270 1.00 0.00 N ATOM 448 CA ARG A 33 -7.338 0.964 -3.028 1.00 0.00 C ATOM 449 C ARG A 33 -7.256 2.476 -3.220 1.00 0.00 C ATOM 450 O ARG A 33 -7.624 3.245 -2.332 1.00 0.00 O ATOM 451 CB ARG A 33 -7.827 0.645 -1.614 1.00 0.00 C ATOM 452 CG ARG A 33 -8.548 -0.689 -1.505 1.00 0.00 C ATOM 453 CD ARG A 33 -9.344 -0.788 -0.213 1.00 0.00 C ATOM 454 NE ARG A 33 -10.631 -0.105 -0.311 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.241 0.466 0.723 1.00 0.00 C ATOM 456 NH1 ARG A 33 -10.682 0.436 1.925 1.00 0.00 N ATOM 457 NH2 ARG A 33 -12.411 1.068 0.555 1.00 0.00 N ATOM 0 H ARG A 33 -6.030 -0.310 -4.058 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.048 0.561 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.974 0.644 -0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.497 1.439 -1.283 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.217 -0.813 -2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.822 -1.501 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.508 -1.837 0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.765 -0.356 0.604 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.087 -0.064 -1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.782 -0.026 2.058 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.152 0.875 2.717 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.844 1.093 -0.368 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.878 1.506 1.349 1.00 0.00 H new ATOM 471 N ASP A 34 -6.769 2.893 -4.383 1.00 0.00 N ATOM 472 CA ASP A 34 -6.638 4.312 -4.692 1.00 0.00 C ATOM 473 C ASP A 34 -5.851 5.035 -3.602 1.00 0.00 C ATOM 474 O ASP A 34 -6.163 6.172 -3.250 1.00 0.00 O ATOM 475 CB ASP A 34 -8.018 4.951 -4.850 1.00 0.00 C ATOM 476 CG ASP A 34 -7.973 6.235 -5.656 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.056 7.050 -5.423 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.854 6.424 -6.520 1.00 0.00 O ATOM 0 H ASP A 34 -6.458 2.269 -5.127 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.093 4.405 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.689 4.243 -5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.434 5.159 -3.864 1.00 0.00 H new ATOM 483 N GLN A 35 -4.832 4.367 -3.073 1.00 0.00 N ATOM 484 CA GLN A 35 -4.003 4.945 -2.023 1.00 0.00 C ATOM 485 C GLN A 35 -2.571 4.428 -2.113 1.00 0.00 C ATOM 486 O GLN A 35 -2.323 3.267 -2.437 1.00 0.00 O ATOM 487 CB GLN A 35 -4.588 4.624 -0.646 1.00 0.00 C ATOM 488 CG GLN A 35 -5.800 5.468 -0.288 1.00 0.00 C ATOM 489 CD GLN A 35 -5.993 5.607 1.209 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.666 4.791 1.839 1.00 0.00 O ATOM 491 NE2 GLN A 35 -5.402 6.646 1.788 1.00 0.00 N ATOM 0 H GLN A 35 -4.561 3.425 -3.354 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.989 6.026 -2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.867 3.571 -0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.817 4.771 0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.692 6.458 -0.730 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.692 5.020 -0.725 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.853 7.298 1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.497 6.792 2.793 1.00 0.00 H new ATOM 500 N PRO A 36 -1.603 5.310 -1.820 1.00 0.00 N ATOM 501 CA PRO A 36 -0.179 4.965 -1.861 1.00 0.00 C ATOM 502 C PRO A 36 0.218 4.009 -0.741 1.00 0.00 C ATOM 503 O PRO A 36 -0.075 4.253 0.429 1.00 0.00 O ATOM 504 CB PRO A 36 0.518 6.316 -1.683 1.00 0.00 C ATOM 505 CG PRO A 36 -0.470 7.159 -0.954 1.00 0.00 C ATOM 506 CD PRO A 36 -1.825 6.712 -1.426 1.00 0.00 C ATOM 0 HA PRO A 36 0.089 4.450 -2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.444 6.212 -1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.780 6.756 -2.645 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.371 7.032 0.124 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.312 8.216 -1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.573 6.794 -0.637 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.178 7.314 -2.264 1.00 0.00 H new ATOM 514 N TRP A 37 0.887 2.922 -1.108 1.00 0.00 N ATOM 515 CA TRP A 37 1.325 1.929 -0.133 1.00 0.00 C ATOM 516 C TRP A 37 2.788 1.562 -0.351 1.00 0.00 C ATOM 517 O TRP A 37 3.301 1.650 -1.467 1.00 0.00 O ATOM 518 CB TRP A 37 0.452 0.676 -0.224 1.00 0.00 C ATOM 519 CG TRP A 37 -0.820 0.780 0.561 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.900 1.566 0.272 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.145 0.077 1.765 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.875 1.393 1.224 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.437 0.484 2.150 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.470 -0.859 2.554 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.065 -0.012 3.289 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.095 -1.350 3.685 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.382 -0.927 4.044 1.00 0.00 C ATOM 0 H TRP A 37 1.138 2.706 -2.073 1.00 0.00 H new ATOM 0 HA TRP A 37 1.223 2.362 0.862 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.211 0.485 -1.270 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.022 -0.182 0.133 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.976 2.226 -0.580 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.779 1.865 1.239 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.521 -1.192 2.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.056 0.314 3.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.582 -2.072 4.303 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.844 -1.331 4.933 1.00 0.00 H new ATOM 538 N HIS A 38 3.456 1.149 0.722 1.00 0.00 N ATOM 539 CA HIS A 38 4.862 0.767 0.647 1.00 0.00 C ATOM 540 C HIS A 38 5.013 -0.641 0.078 1.00 0.00 C ATOM 541 O HIS A 38 4.532 -1.611 0.662 1.00 0.00 O ATOM 542 CB HIS A 38 5.507 0.842 2.031 1.00 0.00 C ATOM 543 CG HIS A 38 6.089 2.185 2.349 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.152 2.694 3.629 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.638 3.125 1.544 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.713 3.890 3.598 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.017 4.174 2.344 1.00 0.00 N ATOM 0 H HIS A 38 3.047 1.070 1.653 1.00 0.00 H new ATOM 0 HA HIS A 38 5.368 1.465 -0.020 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.761 0.591 2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.293 0.090 2.098 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.756 3.061 0.472 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.892 4.527 4.452 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.462 5.034 2.022 1.00 0.00 H new ATOM 555 N ARG A 39 5.683 -0.743 -1.065 1.00 0.00 N ATOM 556 CA ARG A 39 5.895 -2.031 -1.714 1.00 0.00 C ATOM 557 C ARG A 39 6.111 -3.132 -0.680 1.00 0.00 C ATOM 558 O ARG A 39 5.675 -4.267 -0.867 1.00 0.00 O ATOM 559 CB ARG A 39 7.097 -1.959 -2.657 1.00 0.00 C ATOM 560 CG ARG A 39 6.875 -1.056 -3.859 1.00 0.00 C ATOM 561 CD ARG A 39 7.676 -1.526 -5.064 1.00 0.00 C ATOM 562 NE ARG A 39 9.101 -1.238 -4.919 1.00 0.00 N ATOM 563 CZ ARG A 39 10.055 -1.915 -5.549 1.00 0.00 C ATOM 564 NH1 ARG A 39 9.737 -2.913 -6.362 1.00 0.00 N ATOM 565 NH2 ARG A 39 11.329 -1.594 -5.366 1.00 0.00 N ATOM 0 H ARG A 39 6.088 0.051 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 39 5.002 -2.270 -2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.964 -1.602 -2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.334 -2.964 -3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.815 -1.037 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.161 -0.035 -3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.534 -2.598 -5.198 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.297 -1.040 -5.963 1.00 0.00 H new ATOM 0 HE ARG A 39 9.379 -0.476 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.758 -3.162 -6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.471 -3.431 -6.845 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.577 -0.827 -4.741 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.061 -2.114 -5.850 1.00 0.00 H new ATOM 579 N GLU A 40 6.788 -2.787 0.412 1.00 0.00 N ATOM 580 CA GLU A 40 7.062 -3.746 1.475 1.00 0.00 C ATOM 581 C GLU A 40 5.830 -3.956 2.350 1.00 0.00 C ATOM 582 O GLU A 40 5.429 -5.089 2.616 1.00 0.00 O ATOM 583 CB GLU A 40 8.236 -3.269 2.332 1.00 0.00 C ATOM 584 CG GLU A 40 9.517 -3.051 1.545 1.00 0.00 C ATOM 585 CD GLU A 40 10.683 -2.648 2.426 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.720 -1.478 2.862 1.00 0.00 O ATOM 587 OE2 GLU A 40 11.558 -3.502 2.680 1.00 0.00 O ATOM 0 H GLU A 40 7.156 -1.851 0.583 1.00 0.00 H new ATOM 0 HA GLU A 40 7.323 -4.698 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.960 -2.337 2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.423 -4.002 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.770 -3.966 1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.350 -2.279 0.794 1.00 0.00 H new ATOM 594 N CYS A 41 5.235 -2.855 2.796 1.00 0.00 N ATOM 595 CA CYS A 41 4.049 -2.916 3.643 1.00 0.00 C ATOM 596 C CYS A 41 2.926 -3.683 2.951 1.00 0.00 C ATOM 597 O CYS A 41 2.370 -4.630 3.510 1.00 0.00 O ATOM 598 CB CYS A 41 3.576 -1.505 3.996 1.00 0.00 C ATOM 599 SG CYS A 41 4.625 -0.652 5.217 1.00 0.00 S ATOM 0 H CYS A 41 5.554 -1.910 2.585 1.00 0.00 H new ATOM 0 HA CYS A 41 4.314 -3.443 4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.538 -0.908 3.085 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.559 -1.561 4.383 1.00 0.00 H new ATOM 0 HG CYS A 41 3.948 0.305 5.778 1.00 0.00 H new ATOM 604 N LEU A 42 2.597 -3.269 1.733 1.00 0.00 N ATOM 605 CA LEU A 42 1.540 -3.917 0.964 1.00 0.00 C ATOM 606 C LEU A 42 1.726 -5.431 0.951 1.00 0.00 C ATOM 607 O LEU A 42 2.421 -5.975 0.093 1.00 0.00 O ATOM 608 CB LEU A 42 1.524 -3.382 -0.469 1.00 0.00 C ATOM 609 CG LEU A 42 0.437 -3.946 -1.384 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.942 -3.546 -0.883 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.644 -3.471 -2.815 1.00 0.00 C ATOM 0 H LEU A 42 3.047 -2.487 1.256 1.00 0.00 H new ATOM 0 HA LEU A 42 0.586 -3.690 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.412 -2.299 -0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.494 -3.586 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 42 0.506 -5.034 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.703 -3.956 -1.547 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.090 -3.936 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.022 -2.459 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.139 -3.882 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.603 -2.382 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.617 -3.808 -3.173 1.00 0.00 H new ATOM 623 N VAL A 43 1.097 -6.107 1.908 1.00 0.00 N ATOM 624 CA VAL A 43 1.190 -7.559 2.005 1.00 0.00 C ATOM 625 C VAL A 43 -0.139 -8.166 2.438 1.00 0.00 C ATOM 626 O VAL A 43 -0.948 -7.513 3.097 1.00 0.00 O ATOM 627 CB VAL A 43 2.285 -7.986 3.001 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.642 -7.457 2.561 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.946 -7.505 4.404 1.00 0.00 C ATOM 0 H VAL A 43 0.518 -5.672 2.627 1.00 0.00 H new ATOM 0 HA VAL A 43 1.449 -7.927 1.012 1.00 0.00 H new ATOM 0 HB VAL A 43 2.333 -9.075 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.403 -7.768 3.276 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.886 -7.855 1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.611 -6.368 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.730 -7.815 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.869 -6.418 4.407 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.995 -7.937 4.717 1.00 0.00 H new ATOM 639 N CYS A 44 -0.359 -9.422 2.064 1.00 0.00 N ATOM 640 CA CYS A 44 -1.591 -10.120 2.412 1.00 0.00 C ATOM 641 C CYS A 44 -1.883 -9.994 3.905 1.00 0.00 C ATOM 642 O CYS A 44 -0.990 -9.708 4.703 1.00 0.00 O ATOM 643 CB CYS A 44 -1.492 -11.597 2.024 1.00 0.00 C ATOM 644 SG CYS A 44 -3.060 -12.511 2.174 1.00 0.00 S ATOM 0 H CYS A 44 0.301 -9.978 1.519 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.409 -9.660 1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.139 -11.669 0.995 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.742 -12.077 2.653 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.117 -13.429 1.255 1.00 0.00 H new ATOM 649 N THR A 45 -3.142 -10.211 4.276 1.00 0.00 N ATOM 650 CA THR A 45 -3.553 -10.121 5.671 1.00 0.00 C ATOM 651 C THR A 45 -3.623 -11.501 6.314 1.00 0.00 C ATOM 652 O THR A 45 -3.836 -11.625 7.519 1.00 0.00 O ATOM 653 CB THR A 45 -4.925 -9.433 5.808 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.978 -8.273 4.971 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.188 -9.035 7.253 1.00 0.00 C ATOM 0 H THR A 45 -3.894 -10.450 3.629 1.00 0.00 H new ATOM 0 HA THR A 45 -2.801 -9.522 6.185 1.00 0.00 H new ATOM 0 HB THR A 45 -5.694 -10.140 5.496 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.980 -8.548 4.030 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.162 -8.551 7.326 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.177 -9.924 7.883 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.414 -8.344 7.587 1.00 0.00 H new ATOM 663 N GLY A 46 -3.440 -12.538 5.501 1.00 0.00 N ATOM 664 CA GLY A 46 -3.485 -13.896 6.010 1.00 0.00 C ATOM 665 C GLY A 46 -2.110 -14.526 6.103 1.00 0.00 C ATOM 666 O GLY A 46 -1.714 -15.017 7.161 1.00 0.00 O ATOM 0 H GLY A 46 -3.262 -12.461 4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.949 -13.896 6.996 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.116 -14.503 5.361 1.00 0.00 H new ATOM 670 N CYS A 47 -1.379 -14.515 4.993 1.00 0.00 N ATOM 671 CA CYS A 47 -0.041 -15.091 4.953 1.00 0.00 C ATOM 672 C CYS A 47 1.024 -14.001 5.042 1.00 0.00 C ATOM 673 O CYS A 47 2.202 -14.287 5.254 1.00 0.00 O ATOM 674 CB CYS A 47 0.150 -15.901 3.669 1.00 0.00 C ATOM 675 SG CYS A 47 -0.131 -14.950 2.141 1.00 0.00 S ATOM 0 H CYS A 47 -1.692 -14.113 4.109 1.00 0.00 H new ATOM 0 HA CYS A 47 0.068 -15.753 5.812 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.163 -16.303 3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.530 -16.752 3.685 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.217 -14.246 2.261 1.00 0.00 H new ATOM 680 N GLN A 48 0.599 -12.752 4.880 1.00 0.00 N ATOM 681 CA GLN A 48 1.516 -11.620 4.942 1.00 0.00 C ATOM 682 C GLN A 48 2.539 -11.686 3.813 1.00 0.00 C ATOM 683 O GLN A 48 3.742 -11.552 4.042 1.00 0.00 O ATOM 684 CB GLN A 48 2.232 -11.590 6.294 1.00 0.00 C ATOM 685 CG GLN A 48 1.302 -11.335 7.469 1.00 0.00 C ATOM 686 CD GLN A 48 0.723 -9.934 7.462 1.00 0.00 C ATOM 687 OE1 GLN A 48 1.457 -8.947 7.425 1.00 0.00 O ATOM 688 NE2 GLN A 48 -0.601 -9.841 7.498 1.00 0.00 N ATOM 0 H GLN A 48 -0.373 -12.499 4.705 1.00 0.00 H new ATOM 0 HA GLN A 48 0.933 -10.706 4.827 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.744 -12.540 6.446 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.998 -10.815 6.273 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.489 -12.060 7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.847 -11.494 8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -1.171 -10.686 7.528 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.048 -8.924 7.496 1.00 0.00 H new ATOM 697 N THR A 49 2.054 -11.892 2.593 1.00 0.00 N ATOM 698 CA THR A 49 2.926 -11.977 1.428 1.00 0.00 C ATOM 699 C THR A 49 2.873 -10.693 0.607 1.00 0.00 C ATOM 700 O THR A 49 1.818 -10.083 0.432 1.00 0.00 O ATOM 701 CB THR A 49 2.545 -13.166 0.526 1.00 0.00 C ATOM 702 OG1 THR A 49 3.597 -13.429 -0.409 1.00 0.00 O ATOM 703 CG2 THR A 49 1.252 -12.884 -0.224 1.00 0.00 C ATOM 0 H THR A 49 1.061 -12.003 2.386 1.00 0.00 H new ATOM 0 HA THR A 49 3.939 -12.125 1.802 1.00 0.00 H new ATOM 0 HB THR A 49 2.396 -14.040 1.159 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.347 -14.187 -0.977 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.003 -13.738 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.447 -12.714 0.491 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.378 -11.998 -0.846 1.00 0.00 H new ATOM 711 N PRO A 50 4.036 -10.273 0.089 1.00 0.00 N ATOM 712 CA PRO A 50 4.147 -9.058 -0.724 1.00 0.00 C ATOM 713 C PRO A 50 3.483 -9.210 -2.088 1.00 0.00 C ATOM 714 O PRO A 50 4.001 -9.897 -2.970 1.00 0.00 O ATOM 715 CB PRO A 50 5.659 -8.875 -0.884 1.00 0.00 C ATOM 716 CG PRO A 50 6.225 -10.244 -0.727 1.00 0.00 C ATOM 717 CD PRO A 50 5.332 -10.951 0.256 1.00 0.00 C ATOM 0 HA PRO A 50 3.647 -8.209 -0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.906 -8.454 -1.859 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.057 -8.193 -0.132 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.247 -10.769 -1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.251 -10.203 -0.362 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.259 -12.017 0.038 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.705 -10.859 1.276 1.00 0.00 H new ATOM 725 N LEU A 51 2.333 -8.566 -2.256 1.00 0.00 N ATOM 726 CA LEU A 51 1.597 -8.629 -3.514 1.00 0.00 C ATOM 727 C LEU A 51 2.139 -7.612 -4.513 1.00 0.00 C ATOM 728 O LEU A 51 1.502 -7.322 -5.526 1.00 0.00 O ATOM 729 CB LEU A 51 0.108 -8.378 -3.269 1.00 0.00 C ATOM 730 CG LEU A 51 -0.502 -9.086 -2.060 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.658 -8.276 -1.494 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.965 -10.486 -2.439 1.00 0.00 C ATOM 0 H LEU A 51 1.890 -7.994 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 51 1.727 -9.627 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.044 -7.305 -3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.443 -8.683 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 51 0.265 -9.174 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.080 -8.796 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.298 -7.295 -1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.426 -8.156 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.397 -10.975 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.716 -10.420 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.114 -11.066 -2.797 1.00 0.00 H new ATOM 744 N ALA A 52 3.319 -7.075 -4.223 1.00 0.00 N ATOM 745 CA ALA A 52 3.948 -6.094 -5.098 1.00 0.00 C ATOM 746 C ALA A 52 3.885 -6.537 -6.555 1.00 0.00 C ATOM 747 O ALA A 52 4.677 -7.369 -6.996 1.00 0.00 O ATOM 748 CB ALA A 52 5.392 -5.860 -4.677 1.00 0.00 C ATOM 0 H ALA A 52 3.859 -7.303 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 52 3.398 -5.157 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.850 -5.125 -5.339 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.417 -5.490 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.945 -6.797 -4.738 1.00 0.00 H new ATOM 754 N GLY A 53 2.936 -5.977 -7.299 1.00 0.00 N ATOM 755 CA GLY A 53 2.787 -6.329 -8.699 1.00 0.00 C ATOM 756 C GLY A 53 2.294 -7.749 -8.891 1.00 0.00 C ATOM 757 O GLY A 53 2.694 -8.429 -9.836 1.00 0.00 O ATOM 0 H GLY A 53 2.268 -5.286 -6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.089 -5.638 -9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.745 -6.209 -9.204 1.00 0.00 H new ATOM 761 N GLN A 54 1.424 -8.198 -7.992 1.00 0.00 N ATOM 762 CA GLN A 54 0.878 -9.548 -8.066 1.00 0.00 C ATOM 763 C GLN A 54 -0.641 -9.515 -8.188 1.00 0.00 C ATOM 764 O GLN A 54 -1.285 -8.549 -7.778 1.00 0.00 O ATOM 765 CB GLN A 54 1.285 -10.354 -6.831 1.00 0.00 C ATOM 766 CG GLN A 54 0.576 -11.694 -6.718 1.00 0.00 C ATOM 767 CD GLN A 54 1.354 -12.698 -5.891 1.00 0.00 C ATOM 768 OE1 GLN A 54 2.531 -12.952 -6.148 1.00 0.00 O ATOM 769 NE2 GLN A 54 0.699 -13.275 -4.890 1.00 0.00 N ATOM 0 H GLN A 54 1.082 -7.647 -7.204 1.00 0.00 H new ATOM 0 HA GLN A 54 1.285 -10.029 -8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.362 -10.523 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 54 1.076 -9.765 -5.938 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.407 -11.544 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.413 -12.100 -7.716 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.276 -13.034 -4.713 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.171 -13.959 -4.298 1.00 0.00 H new ATOM 778 N GLN A 55 -1.208 -10.576 -8.754 1.00 0.00 N ATOM 779 CA GLN A 55 -2.653 -10.666 -8.930 1.00 0.00 C ATOM 780 C GLN A 55 -3.341 -11.016 -7.615 1.00 0.00 C ATOM 781 O GLN A 55 -3.199 -12.127 -7.104 1.00 0.00 O ATOM 782 CB GLN A 55 -2.993 -11.714 -9.992 1.00 0.00 C ATOM 783 CG GLN A 55 -4.299 -11.439 -10.721 1.00 0.00 C ATOM 784 CD GLN A 55 -4.382 -12.149 -12.057 1.00 0.00 C ATOM 785 OE1 GLN A 55 -3.407 -12.744 -12.519 1.00 0.00 O ATOM 786 NE2 GLN A 55 -5.549 -12.091 -12.687 1.00 0.00 N ATOM 0 H GLN A 55 -0.690 -11.384 -9.098 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.015 -9.692 -9.260 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.183 -11.758 -10.720 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.050 -12.694 -9.518 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.134 -11.753 -10.094 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.404 -10.365 -10.877 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.330 -11.587 -12.268 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.664 -12.550 -13.590 1.00 0.00 H new ATOM 795 N PHE A 56 -4.087 -10.060 -7.070 1.00 0.00 N ATOM 796 CA PHE A 56 -4.796 -10.267 -5.813 1.00 0.00 C ATOM 797 C PHE A 56 -6.096 -9.468 -5.784 1.00 0.00 C ATOM 798 O PHE A 56 -6.411 -8.737 -6.725 1.00 0.00 O ATOM 799 CB PHE A 56 -3.911 -9.865 -4.632 1.00 0.00 C ATOM 800 CG PHE A 56 -3.657 -8.387 -4.548 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.554 -7.552 -3.900 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.522 -7.832 -5.117 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.323 -6.192 -3.822 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.286 -6.472 -5.042 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.187 -5.651 -4.393 1.00 0.00 C ATOM 0 H PHE A 56 -4.216 -9.135 -7.479 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.039 -11.326 -5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.381 -10.198 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -2.957 -10.386 -4.710 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.443 -7.969 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.813 -8.469 -5.625 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.030 -5.552 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.398 -6.052 -5.491 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.004 -4.588 -4.332 1.00 0.00 H new ATOM 815 N THR A 57 -6.848 -9.612 -4.698 1.00 0.00 N ATOM 816 CA THR A 57 -8.114 -8.906 -4.546 1.00 0.00 C ATOM 817 C THR A 57 -8.234 -8.285 -3.159 1.00 0.00 C ATOM 818 O THR A 57 -7.515 -8.664 -2.234 1.00 0.00 O ATOM 819 CB THR A 57 -9.312 -9.844 -4.782 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.539 -9.129 -4.597 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.265 -11.032 -3.832 1.00 0.00 C ATOM 0 H THR A 57 -6.602 -10.211 -3.910 1.00 0.00 H new ATOM 0 HA THR A 57 -8.128 -8.116 -5.297 1.00 0.00 H new ATOM 0 HB THR A 57 -9.258 -10.214 -5.806 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.296 -9.733 -4.751 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.121 -11.680 -4.018 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.344 -11.592 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.296 -10.676 -2.802 1.00 0.00 H new ATOM 829 N SER A 58 -9.149 -7.330 -3.020 1.00 0.00 N ATOM 830 CA SER A 58 -9.361 -6.655 -1.745 1.00 0.00 C ATOM 831 C SER A 58 -10.663 -7.116 -1.096 1.00 0.00 C ATOM 832 O SER A 58 -11.690 -7.245 -1.762 1.00 0.00 O ATOM 833 CB SER A 58 -9.388 -5.139 -1.946 1.00 0.00 C ATOM 834 OG SER A 58 -8.314 -4.714 -2.767 1.00 0.00 O ATOM 0 H SER A 58 -9.755 -7.007 -3.774 1.00 0.00 H new ATOM 0 HA SER A 58 -8.534 -6.913 -1.083 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.335 -4.846 -2.400 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.330 -4.640 -0.979 1.00 0.00 H new ATOM 0 HG SER A 58 -7.600 -4.345 -2.206 1.00 0.00 H new ATOM 840 N ARG A 59 -10.610 -7.364 0.209 1.00 0.00 N ATOM 841 CA ARG A 59 -11.784 -7.812 0.949 1.00 0.00 C ATOM 842 C ARG A 59 -11.848 -7.147 2.321 1.00 0.00 C ATOM 843 O ARG A 59 -10.841 -7.051 3.023 1.00 0.00 O ATOM 844 CB ARG A 59 -11.762 -9.334 1.108 1.00 0.00 C ATOM 845 CG ARG A 59 -13.117 -9.930 1.451 1.00 0.00 C ATOM 846 CD ARG A 59 -13.952 -10.170 0.202 1.00 0.00 C ATOM 847 NE ARG A 59 -14.559 -8.938 -0.295 1.00 0.00 N ATOM 848 CZ ARG A 59 -15.119 -8.827 -1.494 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.150 -9.869 -2.314 1.00 0.00 N ATOM 850 NH2 ARG A 59 -15.652 -7.673 -1.875 1.00 0.00 N ATOM 0 H ARG A 59 -9.768 -7.262 0.775 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.671 -7.525 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.401 -9.782 0.182 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.050 -9.599 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.978 -10.871 1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.651 -9.259 2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.324 -10.604 -0.576 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -14.734 -10.896 0.423 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.552 -8.118 0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.743 -10.758 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.581 -9.781 -3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.632 -6.870 -1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -16.082 -7.589 -2.796 1.00 0.00 H new ATOM 864 N ASP A 60 -13.038 -6.689 2.695 1.00 0.00 N ATOM 865 CA ASP A 60 -13.234 -6.034 3.983 1.00 0.00 C ATOM 866 C ASP A 60 -12.157 -4.981 4.226 1.00 0.00 C ATOM 867 O ASP A 60 -11.555 -4.932 5.298 1.00 0.00 O ATOM 868 CB ASP A 60 -13.220 -7.065 5.112 1.00 0.00 C ATOM 869 CG ASP A 60 -12.261 -8.207 4.841 1.00 0.00 C ATOM 870 OD1 ASP A 60 -11.073 -8.083 5.207 1.00 0.00 O ATOM 871 OD2 ASP A 60 -12.697 -9.225 4.262 1.00 0.00 O ATOM 0 H ASP A 60 -13.881 -6.759 2.125 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.205 -5.539 3.967 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.942 -6.574 6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.225 -7.463 5.249 1.00 0.00 H new ATOM 876 N GLU A 61 -11.920 -4.141 3.223 1.00 0.00 N ATOM 877 CA GLU A 61 -10.915 -3.090 3.328 1.00 0.00 C ATOM 878 C GLU A 61 -9.555 -3.674 3.700 1.00 0.00 C ATOM 879 O GLU A 61 -8.771 -3.046 4.412 1.00 0.00 O ATOM 880 CB GLU A 61 -11.338 -2.051 4.369 1.00 0.00 C ATOM 881 CG GLU A 61 -12.741 -1.511 4.154 1.00 0.00 C ATOM 882 CD GLU A 61 -12.923 -0.116 4.721 1.00 0.00 C ATOM 883 OE1 GLU A 61 -11.907 0.589 4.896 1.00 0.00 O ATOM 884 OE2 GLU A 61 -14.079 0.270 4.989 1.00 0.00 O ATOM 0 H GLU A 61 -12.410 -4.168 2.329 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.830 -2.605 2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.278 -2.498 5.361 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.631 -1.221 4.350 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.961 -1.497 3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.461 -2.185 4.619 1.00 0.00 H new ATOM 891 N ASP A 62 -9.282 -4.880 3.212 1.00 0.00 N ATOM 892 CA ASP A 62 -8.017 -5.549 3.492 1.00 0.00 C ATOM 893 C ASP A 62 -7.533 -6.327 2.272 1.00 0.00 C ATOM 894 O ASP A 62 -8.264 -7.121 1.681 1.00 0.00 O ATOM 895 CB ASP A 62 -8.168 -6.492 4.686 1.00 0.00 C ATOM 896 CG ASP A 62 -7.889 -5.803 6.007 1.00 0.00 C ATOM 897 OD1 ASP A 62 -8.555 -4.788 6.299 1.00 0.00 O ATOM 898 OD2 ASP A 62 -7.003 -6.278 6.749 1.00 0.00 O ATOM 0 H ASP A 62 -9.920 -5.413 2.621 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.276 -4.787 3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.179 -6.899 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.487 -7.335 4.568 1.00 0.00 H new ATOM 903 N PRO A 63 -6.270 -6.094 1.884 1.00 0.00 N ATOM 904 CA PRO A 63 -5.660 -6.762 0.731 1.00 0.00 C ATOM 905 C PRO A 63 -5.411 -8.245 0.985 1.00 0.00 C ATOM 906 O PRO A 63 -4.679 -8.613 1.904 1.00 0.00 O ATOM 907 CB PRO A 63 -4.333 -6.020 0.553 1.00 0.00 C ATOM 908 CG PRO A 63 -4.017 -5.478 1.904 1.00 0.00 C ATOM 909 CD PRO A 63 -5.341 -5.160 2.542 1.00 0.00 C ATOM 0 HA PRO A 63 -6.304 -6.729 -0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.549 -6.691 0.202 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.422 -5.221 -0.183 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.463 -6.206 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.395 -4.586 1.831 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.314 -5.313 3.621 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.629 -4.122 2.374 1.00 0.00 H new ATOM 917 N TYR A 64 -6.024 -9.091 0.166 1.00 0.00 N ATOM 918 CA TYR A 64 -5.871 -10.535 0.303 1.00 0.00 C ATOM 919 C TYR A 64 -5.399 -11.160 -1.006 1.00 0.00 C ATOM 920 O TYR A 64 -5.940 -10.875 -2.075 1.00 0.00 O ATOM 921 CB TYR A 64 -7.193 -11.170 0.737 1.00 0.00 C ATOM 922 CG TYR A 64 -7.494 -10.998 2.208 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.904 -11.820 3.160 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.369 -10.011 2.647 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.177 -11.666 4.505 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.647 -9.849 3.991 1.00 0.00 C ATOM 927 CZ TYR A 64 -8.048 -10.679 4.916 1.00 0.00 C ATOM 928 OH TYR A 64 -8.322 -10.522 6.255 1.00 0.00 O ATOM 0 H TYR A 64 -6.632 -8.802 -0.600 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.117 -10.724 1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.004 -10.733 0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.170 -12.234 0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.220 -12.593 2.843 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.840 -9.360 1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.711 -12.315 5.231 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.329 -9.077 4.315 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.953 -9.782 6.375 1.00 0.00 H new ATOM 938 N CYS A 65 -4.385 -12.013 -0.914 1.00 0.00 N ATOM 939 CA CYS A 65 -3.837 -12.680 -2.090 1.00 0.00 C ATOM 940 C CYS A 65 -4.804 -13.737 -2.615 1.00 0.00 C ATOM 941 O CYS A 65 -5.773 -14.096 -1.945 1.00 0.00 O ATOM 942 CB CYS A 65 -2.491 -13.326 -1.755 1.00 0.00 C ATOM 943 SG CYS A 65 -2.625 -14.874 -0.803 1.00 0.00 S ATOM 0 H CYS A 65 -3.925 -12.259 -0.037 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.689 -11.930 -2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.956 -13.528 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.890 -12.615 -1.189 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.769 -14.858 0.175 1.00 0.00 H new ATOM 948 N VAL A 66 -4.534 -14.233 -3.819 1.00 0.00 N ATOM 949 CA VAL A 66 -5.378 -15.250 -4.434 1.00 0.00 C ATOM 950 C VAL A 66 -5.334 -16.552 -3.644 1.00 0.00 C ATOM 951 O VAL A 66 -6.310 -17.302 -3.607 1.00 0.00 O ATOM 952 CB VAL A 66 -4.952 -15.529 -5.887 1.00 0.00 C ATOM 953 CG1 VAL A 66 -5.816 -16.622 -6.497 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.023 -14.256 -6.717 1.00 0.00 C ATOM 0 H VAL A 66 -3.737 -13.946 -4.387 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.396 -14.861 -4.430 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.919 -15.876 -5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.500 -16.805 -7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.709 -17.538 -5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.860 -16.308 -6.489 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.718 -14.472 -7.741 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.045 -13.877 -6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.357 -13.506 -6.291 1.00 0.00 H new ATOM 964 N ALA A 67 -4.196 -16.816 -3.011 1.00 0.00 N ATOM 965 CA ALA A 67 -4.025 -18.028 -2.219 1.00 0.00 C ATOM 966 C ALA A 67 -4.885 -17.986 -0.960 1.00 0.00 C ATOM 967 O ALA A 67 -5.283 -19.025 -0.433 1.00 0.00 O ATOM 968 CB ALA A 67 -2.560 -18.217 -1.854 1.00 0.00 C ATOM 0 H ALA A 67 -3.378 -16.207 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.350 -18.876 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.447 -19.126 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.966 -18.300 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.216 -17.361 -1.273 1.00 0.00 H new ATOM 974 N CYS A 68 -5.167 -16.779 -0.481 1.00 0.00 N ATOM 975 CA CYS A 68 -5.978 -16.601 0.717 1.00 0.00 C ATOM 976 C CYS A 68 -7.448 -16.410 0.354 1.00 0.00 C ATOM 977 O CYS A 68 -8.329 -17.055 0.924 1.00 0.00 O ATOM 978 CB CYS A 68 -5.480 -15.400 1.522 1.00 0.00 C ATOM 979 SG CYS A 68 -4.040 -15.759 2.578 1.00 0.00 S ATOM 0 H CYS A 68 -4.845 -15.909 -0.905 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.885 -17.501 1.326 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.220 -14.596 0.833 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.294 -15.033 2.148 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.305 -14.693 2.686 1.00 0.00 H new ATOM 984 N PHE A 69 -7.706 -15.519 -0.598 1.00 0.00 N ATOM 985 CA PHE A 69 -9.069 -15.242 -1.037 1.00 0.00 C ATOM 986 C PHE A 69 -9.838 -16.539 -1.274 1.00 0.00 C ATOM 987 O PHE A 69 -10.988 -16.676 -0.858 1.00 0.00 O ATOM 988 CB PHE A 69 -9.055 -14.403 -2.316 1.00 0.00 C ATOM 989 CG PHE A 69 -10.422 -14.159 -2.888 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.189 -13.090 -2.455 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.941 -15.000 -3.859 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.447 -12.863 -2.979 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.198 -14.778 -4.388 1.00 0.00 C ATOM 994 CZ PHE A 69 -12.953 -13.709 -3.947 1.00 0.00 C ATOM 0 H PHE A 69 -6.989 -14.977 -1.080 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.571 -14.681 -0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.581 -13.444 -2.107 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.441 -14.905 -3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.799 -12.426 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.356 -15.839 -4.206 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.034 -12.025 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.590 -15.440 -5.146 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.937 -13.535 -4.358 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.194 -17.487 -1.947 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.832 -18.760 -2.230 1.00 0.00 C ATOM 1006 C GLY A 70 -9.484 -19.823 -1.207 1.00 0.00 C ATOM 1007 O GLY A 70 -9.472 -21.013 -1.519 1.00 0.00 O ATOM 0 H GLY A 70 -8.242 -17.397 -2.302 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.913 -18.624 -2.254 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.531 -19.101 -3.221 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.198 -19.392 0.018 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.845 -20.317 1.089 1.00 0.00 C ATOM 1013 C GLU A 71 -9.586 -19.966 2.376 1.00 0.00 C ATOM 1014 O GLU A 71 -10.029 -20.849 3.112 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.335 -20.295 1.335 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.904 -21.103 2.547 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.716 -22.574 2.232 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -5.689 -22.922 1.612 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -7.596 -23.377 2.605 1.00 0.00 O ATOM 0 H GLU A 71 -9.204 -18.410 0.293 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.141 -21.320 0.781 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.826 -20.681 0.452 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.011 -19.262 1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.970 -20.697 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.651 -20.997 3.334 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.716 -18.671 2.643 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.402 -18.202 3.842 1.00 0.00 C ATOM 1028 C LEU A 72 -11.908 -18.120 3.610 1.00 0.00 C ATOM 1029 O LEU A 72 -12.687 -18.799 4.280 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.864 -16.832 4.259 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.529 -16.835 5.005 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.382 -17.116 4.046 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.315 -15.509 5.720 1.00 0.00 C ATOM 0 H LEU A 72 -9.355 -17.927 2.045 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.214 -18.918 4.642 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.756 -16.218 3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.609 -16.348 4.890 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.554 -17.628 5.752 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.440 -17.114 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.528 -18.090 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.355 -16.345 3.276 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.360 -15.529 6.246 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.311 -14.699 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.120 -15.348 6.437 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.310 -17.286 2.657 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.722 -17.116 2.336 1.00 0.00 C ATOM 1047 C PHE A 73 -14.259 -18.330 1.583 1.00 0.00 C ATOM 1048 O PHE A 73 -15.363 -18.802 1.851 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.929 -15.851 1.501 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.076 -14.696 1.942 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.406 -13.966 3.073 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.944 -14.340 1.227 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.623 -12.902 3.480 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.158 -13.277 1.629 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.497 -12.558 2.759 1.00 0.00 C ATOM 0 H PHE A 73 -11.678 -16.717 2.094 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.272 -17.019 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.712 -16.075 0.457 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.978 -15.559 1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.284 -14.231 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.673 -14.900 0.344 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.892 -12.340 4.362 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.280 -13.009 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.883 -11.729 3.078 1.00 0.00 H new