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 9:sc= 1.66 USER MOD Set 1.2: A 47 CYS SG : rot -52:sc= 0.106 USER MOD Set 1.3: A 65 CYS SG : rot -132:sc= -3.4! USER MOD Set 1.4: A 68 CYS SG : rot 152:sc= 0.981 USER MOD Set 2.1: A 32 TYR OH : rot 15:sc= -0.112 USER MOD Set 2.2: A 58 SER OG : rot -94:sc= 0.875 USER MOD Set 3.1: A 18 CYS SG : rot 20:sc= -1.53! USER MOD Set 3.2: A 21 CYS SG : rot 180:sc= 0.058 USER MOD Set 3.3: A 38 HIS : no HD1:sc= -3.15! C(o=-5.7!,f=-11!) USER MOD Set 3.4: A 41 CYS SG : rot -166:sc= -1.05 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 180:sc= -0.189 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 70:sc= 0.544 USER MOD Single : A 48 GLN : amide:sc= 0.509 K(o=0.51,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.978 USER MOD Single : A 54 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.019) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.000108 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.577 11.117 -2.841 1.00 0.00 N ATOM 194 CA PRO A 16 2.676 10.226 -2.104 1.00 0.00 C ATOM 195 C PRO A 16 3.364 9.556 -0.920 1.00 0.00 C ATOM 196 O PRO A 16 4.556 9.253 -0.972 1.00 0.00 O ATOM 197 CB PRO A 16 2.277 9.182 -3.150 1.00 0.00 C ATOM 198 CG PRO A 16 3.400 9.177 -4.128 1.00 0.00 C ATOM 199 CD PRO A 16 3.919 10.587 -4.172 1.00 0.00 C ATOM 0 HA PRO A 16 1.831 10.765 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.142 8.200 -2.697 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.334 9.444 -3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.182 8.483 -3.820 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.059 8.856 -5.112 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.994 10.614 -4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.448 11.164 -4.968 1.00 0.00 H new ATOM 207 N ARG A 17 2.606 9.328 0.148 1.00 0.00 N ATOM 208 CA ARG A 17 3.143 8.694 1.346 1.00 0.00 C ATOM 209 C ARG A 17 2.370 7.422 1.682 1.00 0.00 C ATOM 210 O ARG A 17 1.146 7.376 1.558 1.00 0.00 O ATOM 211 CB ARG A 17 3.090 9.663 2.528 1.00 0.00 C ATOM 212 CG ARG A 17 3.834 10.966 2.282 1.00 0.00 C ATOM 213 CD ARG A 17 4.081 11.720 3.580 1.00 0.00 C ATOM 214 NE ARG A 17 4.246 13.154 3.356 1.00 0.00 N ATOM 215 CZ ARG A 17 5.283 13.683 2.716 1.00 0.00 C ATOM 216 NH1 ARG A 17 6.241 12.902 2.238 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.362 14.998 2.553 1.00 0.00 N ATOM 0 H ARG A 17 1.618 9.573 0.208 1.00 0.00 H new ATOM 0 HA ARG A 17 4.181 8.426 1.150 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.048 9.887 2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.511 9.174 3.407 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.786 10.756 1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.258 11.592 1.600 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.246 11.553 4.261 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.973 11.324 4.066 1.00 0.00 H new ATOM 0 HE ARG A 17 3.526 13.783 3.710 1.00 0.00 H new ATOM 0 HH11 ARG A 17 6.184 11.891 2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.036 13.312 1.747 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.626 15.602 2.919 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.158 15.404 2.062 1.00 0.00 H new ATOM 231 N CYS A 18 3.093 6.391 2.106 1.00 0.00 N ATOM 232 CA CYS A 18 2.477 5.118 2.459 1.00 0.00 C ATOM 233 C CYS A 18 1.231 5.335 3.312 1.00 0.00 C ATOM 234 O CYS A 18 1.289 5.969 4.365 1.00 0.00 O ATOM 235 CB CYS A 18 3.476 4.236 3.210 1.00 0.00 C ATOM 236 SG CYS A 18 2.847 2.572 3.604 1.00 0.00 S ATOM 0 H CYS A 18 4.107 6.413 2.213 1.00 0.00 H new ATOM 0 HA CYS A 18 2.182 4.617 1.537 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.381 4.138 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.760 4.735 4.137 1.00 0.00 H new ATOM 0 HG CYS A 18 1.844 2.292 2.826 1.00 0.00 H new ATOM 241 N ALA A 19 0.104 4.803 2.849 1.00 0.00 N ATOM 242 CA ALA A 19 -1.156 4.936 3.569 1.00 0.00 C ATOM 243 C ALA A 19 -1.069 4.295 4.950 1.00 0.00 C ATOM 244 O ALA A 19 -1.945 4.491 5.792 1.00 0.00 O ATOM 245 CB ALA A 19 -2.291 4.316 2.767 1.00 0.00 C ATOM 0 H ALA A 19 0.038 4.276 1.978 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.359 5.999 3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.226 4.423 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.376 4.822 1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.085 3.258 2.603 1.00 0.00 H new ATOM 251 N ARG A 20 -0.008 3.527 5.175 1.00 0.00 N ATOM 252 CA ARG A 20 0.192 2.855 6.453 1.00 0.00 C ATOM 253 C ARG A 20 1.088 3.683 7.368 1.00 0.00 C ATOM 254 O ARG A 20 0.687 4.066 8.468 1.00 0.00 O ATOM 255 CB ARG A 20 0.806 1.471 6.235 1.00 0.00 C ATOM 256 CG ARG A 20 1.201 0.770 7.525 1.00 0.00 C ATOM 257 CD ARG A 20 -0.019 0.264 8.279 1.00 0.00 C ATOM 258 NE ARG A 20 0.328 -0.771 9.249 1.00 0.00 N ATOM 259 CZ ARG A 20 -0.530 -1.686 9.686 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.779 -1.695 9.242 1.00 0.00 N ATOM 261 NH2 ARG A 20 -0.139 -2.596 10.570 1.00 0.00 N ATOM 0 H ARG A 20 0.726 3.355 4.489 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.781 2.742 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.093 0.847 5.696 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.687 1.569 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.863 -0.066 7.298 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.762 1.458 8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.498 1.097 8.793 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.745 -0.133 7.569 1.00 0.00 H new ATOM 0 HE ARG A 20 1.281 -0.792 9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -2.084 -0.998 8.563 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.435 -2.399 9.580 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.821 -2.593 10.914 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.799 -3.298 10.905 1.00 0.00 H new ATOM 275 N CYS A 21 2.305 3.955 6.908 1.00 0.00 N ATOM 276 CA CYS A 21 3.260 4.736 7.685 1.00 0.00 C ATOM 277 C CYS A 21 3.183 6.214 7.312 1.00 0.00 C ATOM 278 O CYS A 21 3.312 7.088 8.169 1.00 0.00 O ATOM 279 CB CYS A 21 4.680 4.215 7.459 1.00 0.00 C ATOM 280 SG CYS A 21 4.772 2.425 7.134 1.00 0.00 S ATOM 0 H CYS A 21 2.653 3.646 6.000 1.00 0.00 H new ATOM 0 HA CYS A 21 3.006 4.631 8.740 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.122 4.749 6.618 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.284 4.446 8.336 1.00 0.00 H new ATOM 0 HG CYS A 21 6.012 2.080 6.954 1.00 0.00 H new ATOM 285 N SER A 22 2.973 6.485 6.028 1.00 0.00 N ATOM 286 CA SER A 22 2.883 7.857 5.541 1.00 0.00 C ATOM 287 C SER A 22 4.234 8.559 5.641 1.00 0.00 C ATOM 288 O SER A 22 4.323 9.699 6.095 1.00 0.00 O ATOM 289 CB SER A 22 1.832 8.635 6.336 1.00 0.00 C ATOM 290 OG SER A 22 1.413 9.791 5.632 1.00 0.00 O ATOM 0 H SER A 22 2.862 5.773 5.306 1.00 0.00 H new ATOM 0 HA SER A 22 2.586 7.825 4.493 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.973 7.994 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.243 8.924 7.303 1.00 0.00 H new ATOM 0 HG SER A 22 0.740 10.270 6.160 1.00 0.00 H new ATOM 296 N LYS A 23 5.285 7.868 5.213 1.00 0.00 N ATOM 297 CA LYS A 23 6.633 8.423 5.251 1.00 0.00 C ATOM 298 C LYS A 23 6.975 9.113 3.935 1.00 0.00 C ATOM 299 O LYS A 23 6.987 10.342 3.851 1.00 0.00 O ATOM 300 CB LYS A 23 7.653 7.319 5.540 1.00 0.00 C ATOM 301 CG LYS A 23 7.378 6.558 6.825 1.00 0.00 C ATOM 302 CD LYS A 23 8.061 7.208 8.016 1.00 0.00 C ATOM 303 CE LYS A 23 7.643 6.555 9.324 1.00 0.00 C ATOM 304 NZ LYS A 23 8.238 7.244 10.503 1.00 0.00 N ATOM 0 H LYS A 23 5.229 6.922 4.836 1.00 0.00 H new ATOM 0 HA LYS A 23 6.671 9.164 6.050 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.662 6.617 4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.648 7.761 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.303 6.515 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.726 5.530 6.722 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.142 7.135 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.815 8.269 8.043 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.556 6.569 9.406 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.949 5.509 9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.929 6.769 11.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.275 7.209 10.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.925 8.236 10.520 1.00 0.00 H new ATOM 318 N THR A 24 7.251 8.316 2.907 1.00 0.00 N ATOM 319 CA THR A 24 7.593 8.851 1.595 1.00 0.00 C ATOM 320 C THR A 24 7.627 7.747 0.544 1.00 0.00 C ATOM 321 O THR A 24 7.945 6.597 0.847 1.00 0.00 O ATOM 322 CB THR A 24 8.957 9.566 1.618 1.00 0.00 C ATOM 323 OG1 THR A 24 9.820 8.943 2.575 1.00 0.00 O ATOM 324 CG2 THR A 24 8.790 11.039 1.960 1.00 0.00 C ATOM 0 H THR A 24 7.244 7.297 2.958 1.00 0.00 H new ATOM 0 HA THR A 24 6.818 9.572 1.335 1.00 0.00 H new ATOM 0 HB THR A 24 9.400 9.488 0.625 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.686 9.402 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.767 11.523 1.970 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.156 11.516 1.213 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.327 11.134 2.942 1.00 0.00 H new ATOM 332 N LEU A 25 7.300 8.105 -0.693 1.00 0.00 N ATOM 333 CA LEU A 25 7.294 7.144 -1.791 1.00 0.00 C ATOM 334 C LEU A 25 7.968 7.728 -3.028 1.00 0.00 C ATOM 335 O LEU A 25 7.576 7.434 -4.159 1.00 0.00 O ATOM 336 CB LEU A 25 5.860 6.729 -2.124 1.00 0.00 C ATOM 337 CG LEU A 25 5.130 5.916 -1.054 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.648 6.256 -1.044 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.336 4.426 -1.284 1.00 0.00 C ATOM 0 H LEU A 25 7.036 9.053 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 25 7.855 6.264 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.280 7.630 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.876 6.147 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 25 5.547 6.174 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.145 5.668 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.520 7.317 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.216 6.027 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.810 3.863 -0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.946 4.152 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.400 4.195 -1.239 1.00 0.00 H new ATOM 396 N VAL A 30 4.045 1.589 -4.754 1.00 0.00 N ATOM 397 CA VAL A 30 2.839 1.035 -5.358 1.00 0.00 C ATOM 398 C VAL A 30 1.589 1.713 -4.810 1.00 0.00 C ATOM 399 O VAL A 30 1.667 2.559 -3.918 1.00 0.00 O ATOM 400 CB VAL A 30 2.736 -0.482 -5.115 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.831 -1.220 -5.869 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.803 -0.789 -3.626 1.00 0.00 C ATOM 0 HA VAL A 30 2.908 1.220 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 30 1.773 -0.827 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.742 -2.291 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.732 -1.026 -6.937 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.806 -0.873 -5.526 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.729 -1.866 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.750 -0.430 -3.223 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.979 -0.292 -3.115 1.00 0.00 H new ATOM 412 N THR A 31 0.433 1.336 -5.349 1.00 0.00 N ATOM 413 CA THR A 31 -0.835 1.907 -4.915 1.00 0.00 C ATOM 414 C THR A 31 -1.911 0.833 -4.796 1.00 0.00 C ATOM 415 O THR A 31 -2.205 0.127 -5.761 1.00 0.00 O ATOM 416 CB THR A 31 -1.321 2.999 -5.887 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.414 3.720 -5.307 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.755 2.390 -7.212 1.00 0.00 C ATOM 0 H THR A 31 0.350 0.637 -6.087 1.00 0.00 H new ATOM 0 HA THR A 31 -0.662 2.353 -3.936 1.00 0.00 H new ATOM 0 HB THR A 31 -0.493 3.683 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.716 4.413 -5.930 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.094 3.180 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.913 1.867 -7.665 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.569 1.686 -7.040 1.00 0.00 H new ATOM 426 N TYR A 32 -2.494 0.716 -3.609 1.00 0.00 N ATOM 427 CA TYR A 32 -3.536 -0.274 -3.364 1.00 0.00 C ATOM 428 C TYR A 32 -4.858 0.402 -3.015 1.00 0.00 C ATOM 429 O TYR A 32 -4.929 1.214 -2.092 1.00 0.00 O ATOM 430 CB TYR A 32 -3.118 -1.217 -2.234 1.00 0.00 C ATOM 431 CG TYR A 32 -4.282 -1.917 -1.568 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.973 -1.317 -0.523 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.690 -3.178 -1.985 1.00 0.00 C ATOM 434 CE1 TYR A 32 -6.036 -1.953 0.089 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.752 -3.821 -1.380 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.422 -3.205 -0.344 1.00 0.00 C ATOM 437 OH TYR A 32 -7.481 -3.841 0.262 1.00 0.00 O ATOM 0 H TYR A 32 -2.263 1.294 -2.801 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.674 -0.852 -4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.434 -1.966 -2.632 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.568 -0.650 -1.483 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.674 -0.336 -0.183 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.168 -3.664 -2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.562 -1.473 0.901 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.056 -4.801 -1.716 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.987 -3.195 0.798 1.00 0.00 H new ATOM 447 N ARG A 33 -5.905 0.060 -3.760 1.00 0.00 N ATOM 448 CA ARG A 33 -7.226 0.633 -3.530 1.00 0.00 C ATOM 449 C ARG A 33 -7.192 2.151 -3.679 1.00 0.00 C ATOM 450 O ARG A 33 -7.636 2.882 -2.793 1.00 0.00 O ATOM 451 CB ARG A 33 -7.733 0.257 -2.137 1.00 0.00 C ATOM 452 CG ARG A 33 -8.515 -1.046 -2.105 1.00 0.00 C ATOM 453 CD ARG A 33 -9.368 -1.153 -0.850 1.00 0.00 C ATOM 454 NE ARG A 33 -10.656 -0.482 -1.006 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.334 0.049 0.005 1.00 0.00 C ATOM 456 NH1 ARG A 33 -10.849 -0.011 1.238 1.00 0.00 N ATOM 457 NH2 ARG A 33 -12.500 0.643 -0.216 1.00 0.00 N ATOM 0 H ARG A 33 -5.864 -0.611 -4.527 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.907 0.227 -4.278 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.883 0.178 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.366 1.060 -1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.153 -1.111 -2.986 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.824 -1.888 -2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.533 -2.204 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.831 -0.716 -0.008 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.056 -0.418 -1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.953 -0.466 1.412 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.372 0.398 2.012 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.876 0.692 -1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.020 1.051 0.561 1.00 0.00 H new ATOM 471 N ASP A 34 -6.664 2.619 -4.804 1.00 0.00 N ATOM 472 CA ASP A 34 -6.573 4.050 -5.070 1.00 0.00 C ATOM 473 C ASP A 34 -5.842 4.767 -3.939 1.00 0.00 C ATOM 474 O ASP A 34 -6.178 5.898 -3.589 1.00 0.00 O ATOM 475 CB ASP A 34 -7.970 4.647 -5.250 1.00 0.00 C ATOM 476 CG ASP A 34 -7.937 6.151 -5.436 1.00 0.00 C ATOM 477 OD1 ASP A 34 -6.985 6.649 -6.071 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.864 6.830 -4.945 1.00 0.00 O ATOM 0 H ASP A 34 -6.292 2.028 -5.547 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.006 4.188 -5.991 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.450 4.187 -6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.580 4.405 -4.380 1.00 0.00 H new ATOM 483 N GLN A 35 -4.842 4.101 -3.371 1.00 0.00 N ATOM 484 CA GLN A 35 -4.065 4.674 -2.279 1.00 0.00 C ATOM 485 C GLN A 35 -2.612 4.213 -2.343 1.00 0.00 C ATOM 486 O GLN A 35 -2.313 3.070 -2.688 1.00 0.00 O ATOM 487 CB GLN A 35 -4.676 4.286 -0.932 1.00 0.00 C ATOM 488 CG GLN A 35 -6.001 4.973 -0.644 1.00 0.00 C ATOM 489 CD GLN A 35 -6.332 5.009 0.835 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.421 6.079 1.437 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.516 3.836 1.429 1.00 0.00 N ATOM 0 H GLN A 35 -4.551 3.164 -3.649 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.088 5.759 -2.382 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.823 3.206 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.970 4.530 -0.138 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.969 5.992 -1.030 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.798 4.455 -1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.432 2.973 0.891 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.741 3.797 2.423 1.00 0.00 H new ATOM 500 N PRO A 36 -1.687 5.123 -2.004 1.00 0.00 N ATOM 501 CA PRO A 36 -0.250 4.832 -2.015 1.00 0.00 C ATOM 502 C PRO A 36 0.154 3.864 -0.908 1.00 0.00 C ATOM 503 O PRO A 36 -0.164 4.076 0.262 1.00 0.00 O ATOM 504 CB PRO A 36 0.391 6.203 -1.786 1.00 0.00 C ATOM 505 CG PRO A 36 -0.647 6.991 -1.064 1.00 0.00 C ATOM 506 CD PRO A 36 -1.972 6.505 -1.583 1.00 0.00 C ATOM 0 HA PRO A 36 0.061 4.350 -2.942 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.305 6.119 -1.198 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.662 6.676 -2.730 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.571 6.842 0.013 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.524 8.058 -1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.742 6.540 -0.813 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.325 7.114 -2.415 1.00 0.00 H new ATOM 514 N TRP A 37 0.857 2.802 -1.285 1.00 0.00 N ATOM 515 CA TRP A 37 1.305 1.802 -0.323 1.00 0.00 C ATOM 516 C TRP A 37 2.780 1.472 -0.527 1.00 0.00 C ATOM 517 O TRP A 37 3.289 1.529 -1.647 1.00 0.00 O ATOM 518 CB TRP A 37 0.464 0.530 -0.450 1.00 0.00 C ATOM 519 CG TRP A 37 -0.821 0.589 0.320 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.947 1.285 -0.016 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.110 -0.072 1.557 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.918 1.096 0.937 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.430 0.267 1.912 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.382 -0.919 2.398 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.035 -0.211 3.071 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -0.984 -1.392 3.548 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.300 -1.038 3.876 1.00 0.00 C ATOM 0 H TRP A 37 1.129 2.611 -2.249 1.00 0.00 H new ATOM 0 HA TRP A 37 1.179 2.215 0.678 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.241 0.354 -1.502 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.050 -0.321 -0.101 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -2.058 1.894 -0.901 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.852 1.507 0.921 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.632 -1.198 2.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.049 0.061 3.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.431 -2.046 4.206 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.742 -1.426 4.782 1.00 0.00 H new ATOM 538 N HIS A 38 3.461 1.129 0.561 1.00 0.00 N ATOM 539 CA HIS A 38 4.878 0.789 0.500 1.00 0.00 C ATOM 540 C HIS A 38 5.078 -0.611 -0.071 1.00 0.00 C ATOM 541 O HIS A 38 4.602 -1.596 0.494 1.00 0.00 O ATOM 542 CB HIS A 38 5.506 0.879 1.892 1.00 0.00 C ATOM 543 CG HIS A 38 6.122 2.212 2.186 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.057 2.814 3.425 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.819 3.060 1.393 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.686 3.975 3.381 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.158 4.148 2.160 1.00 0.00 N ATOM 0 H HIS A 38 3.055 1.079 1.495 1.00 0.00 H new ATOM 0 HA HIS A 38 5.369 1.504 -0.160 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.742 0.668 2.640 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.269 0.106 1.988 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.063 2.909 0.352 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.796 4.666 4.204 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.688 4.958 1.839 1.00 0.00 H new ATOM 555 N ARG A 39 5.783 -0.692 -1.195 1.00 0.00 N ATOM 556 CA ARG A 39 6.043 -1.971 -1.843 1.00 0.00 C ATOM 557 C ARG A 39 6.243 -3.075 -0.809 1.00 0.00 C ATOM 558 O ARG A 39 5.749 -4.190 -0.973 1.00 0.00 O ATOM 559 CB ARG A 39 7.277 -1.870 -2.742 1.00 0.00 C ATOM 560 CG ARG A 39 7.076 -0.976 -3.954 1.00 0.00 C ATOM 561 CD ARG A 39 7.919 -1.438 -5.133 1.00 0.00 C ATOM 562 NE ARG A 39 8.323 -0.324 -5.986 1.00 0.00 N ATOM 563 CZ ARG A 39 9.091 -0.463 -7.062 1.00 0.00 C ATOM 564 NH1 ARG A 39 9.534 -1.662 -7.413 1.00 0.00 N ATOM 565 NH2 ARG A 39 9.415 0.599 -7.788 1.00 0.00 N ATOM 0 H ARG A 39 6.184 0.113 -1.675 1.00 0.00 H new ATOM 0 HA ARG A 39 5.176 -2.222 -2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.113 -1.490 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.553 -2.869 -3.080 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.023 -0.975 -4.236 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.338 0.051 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.806 -1.953 -4.765 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.353 -2.160 -5.723 1.00 0.00 H new ATOM 0 HE ARG A 39 7.998 0.612 -5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.286 -2.480 -6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.123 -1.766 -8.239 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.075 1.523 -7.521 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.004 0.492 -8.614 1.00 0.00 H new ATOM 579 N GLU A 40 6.971 -2.755 0.257 1.00 0.00 N ATOM 580 CA GLU A 40 7.237 -3.720 1.317 1.00 0.00 C ATOM 581 C GLU A 40 5.998 -3.931 2.184 1.00 0.00 C ATOM 582 O GLU A 40 5.589 -5.065 2.436 1.00 0.00 O ATOM 583 CB GLU A 40 8.406 -3.249 2.185 1.00 0.00 C ATOM 584 CG GLU A 40 8.186 -1.882 2.812 1.00 0.00 C ATOM 585 CD GLU A 40 9.480 -1.234 3.265 1.00 0.00 C ATOM 586 OE1 GLU A 40 9.957 -1.572 4.368 1.00 0.00 O ATOM 587 OE2 GLU A 40 10.014 -0.388 2.517 1.00 0.00 O ATOM 0 H GLU A 40 7.386 -1.836 0.409 1.00 0.00 H new ATOM 0 HA GLU A 40 7.500 -4.670 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.577 -3.979 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.310 -3.219 1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.691 -1.231 2.091 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.515 -1.981 3.665 1.00 0.00 H new ATOM 594 N CYS A 41 5.407 -2.831 2.637 1.00 0.00 N ATOM 595 CA CYS A 41 4.216 -2.894 3.476 1.00 0.00 C ATOM 596 C CYS A 41 3.110 -3.693 2.793 1.00 0.00 C ATOM 597 O CYS A 41 2.566 -4.637 3.368 1.00 0.00 O ATOM 598 CB CYS A 41 3.717 -1.483 3.796 1.00 0.00 C ATOM 599 SG CYS A 41 4.780 -0.563 4.955 1.00 0.00 S ATOM 0 H CYS A 41 5.733 -1.885 2.437 1.00 0.00 H new ATOM 0 HA CYS A 41 4.483 -3.398 4.405 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.637 -0.918 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.713 -1.551 4.216 1.00 0.00 H new ATOM 0 HG CYS A 41 4.142 0.481 5.394 1.00 0.00 H new ATOM 604 N LEU A 42 2.783 -3.309 1.565 1.00 0.00 N ATOM 605 CA LEU A 42 1.742 -3.990 0.802 1.00 0.00 C ATOM 606 C LEU A 42 1.945 -5.501 0.834 1.00 0.00 C ATOM 607 O LEU A 42 2.821 -6.035 0.154 1.00 0.00 O ATOM 608 CB LEU A 42 1.737 -3.495 -0.646 1.00 0.00 C ATOM 609 CG LEU A 42 0.661 -4.090 -1.554 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.724 -3.833 -0.981 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.774 -3.517 -2.960 1.00 0.00 C ATOM 0 H LEU A 42 3.223 -2.530 1.076 1.00 0.00 H new ATOM 0 HA LEU A 42 0.780 -3.761 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.619 -2.411 -0.638 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.712 -3.706 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 42 0.814 -5.168 -1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.477 -4.264 -1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.801 -4.292 0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.889 -2.759 -0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.000 -3.951 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.648 -2.435 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.755 -3.754 -3.372 1.00 0.00 H new ATOM 623 N VAL A 43 1.126 -6.186 1.626 1.00 0.00 N ATOM 624 CA VAL A 43 1.212 -7.637 1.744 1.00 0.00 C ATOM 625 C VAL A 43 -0.129 -8.236 2.152 1.00 0.00 C ATOM 626 O VAL A 43 -0.999 -7.539 2.674 1.00 0.00 O ATOM 627 CB VAL A 43 2.283 -8.054 2.770 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.644 -7.503 2.375 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.893 -7.587 4.164 1.00 0.00 C ATOM 0 H VAL A 43 0.395 -5.759 2.196 1.00 0.00 H new ATOM 0 HA VAL A 43 1.492 -8.019 0.762 1.00 0.00 H new ATOM 0 HB VAL A 43 2.348 -9.142 2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.388 -7.808 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.923 -7.891 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.598 -6.415 2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.660 -7.890 4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.799 -6.501 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.940 -8.035 4.445 1.00 0.00 H new ATOM 639 N CYS A 44 -0.289 -9.533 1.912 1.00 0.00 N ATOM 640 CA CYS A 44 -1.524 -10.228 2.254 1.00 0.00 C ATOM 641 C CYS A 44 -1.814 -10.117 3.748 1.00 0.00 C ATOM 642 O CYS A 44 -0.898 -10.110 4.572 1.00 0.00 O ATOM 643 CB CYS A 44 -1.434 -11.701 1.849 1.00 0.00 C ATOM 644 SG CYS A 44 -2.935 -12.665 2.215 1.00 0.00 S ATOM 0 H CYS A 44 0.422 -10.124 1.482 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.341 -9.757 1.707 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.228 -11.761 0.780 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.588 -12.157 2.363 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.886 -11.862 2.590 1.00 0.00 H new ATOM 649 N THR A 45 -3.095 -10.031 4.092 1.00 0.00 N ATOM 650 CA THR A 45 -3.507 -9.920 5.485 1.00 0.00 C ATOM 651 C THR A 45 -3.697 -11.295 6.114 1.00 0.00 C ATOM 652 O THR A 45 -4.380 -11.437 7.127 1.00 0.00 O ATOM 653 CB THR A 45 -4.817 -9.121 5.622 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.764 -7.949 4.800 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.058 -8.721 7.070 1.00 0.00 C ATOM 0 H THR A 45 -3.866 -10.036 3.424 1.00 0.00 H new ATOM 0 HA THR A 45 -2.710 -9.391 6.008 1.00 0.00 H new ATOM 0 HB THR A 45 -5.640 -9.756 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.803 -8.209 3.856 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.989 -8.158 7.142 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.127 -9.616 7.688 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.231 -8.102 7.419 1.00 0.00 H new ATOM 663 N GLY A 46 -3.086 -12.308 5.506 1.00 0.00 N ATOM 664 CA GLY A 46 -3.199 -13.660 6.022 1.00 0.00 C ATOM 665 C GLY A 46 -1.866 -14.381 6.058 1.00 0.00 C ATOM 666 O GLY A 46 -1.431 -14.844 7.113 1.00 0.00 O ATOM 0 H GLY A 46 -2.515 -12.216 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.618 -13.628 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.897 -14.224 5.404 1.00 0.00 H new ATOM 670 N CYS A 47 -1.216 -14.477 4.904 1.00 0.00 N ATOM 671 CA CYS A 47 0.074 -15.148 4.806 1.00 0.00 C ATOM 672 C CYS A 47 1.218 -14.139 4.857 1.00 0.00 C ATOM 673 O CYS A 47 2.380 -14.512 5.014 1.00 0.00 O ATOM 674 CB CYS A 47 0.154 -15.960 3.511 1.00 0.00 C ATOM 675 SG CYS A 47 -0.083 -14.973 1.999 1.00 0.00 S ATOM 0 H CYS A 47 -1.562 -14.098 4.022 1.00 0.00 H new ATOM 0 HA CYS A 47 0.169 -15.823 5.657 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.126 -16.452 3.463 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.600 -16.746 3.541 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.178 -14.280 2.101 1.00 0.00 H new ATOM 680 N GLN A 48 0.878 -12.861 4.725 1.00 0.00 N ATOM 681 CA GLN A 48 1.876 -11.799 4.756 1.00 0.00 C ATOM 682 C GLN A 48 2.814 -11.897 3.557 1.00 0.00 C ATOM 683 O GLN A 48 4.036 -11.925 3.711 1.00 0.00 O ATOM 684 CB GLN A 48 2.681 -11.864 6.055 1.00 0.00 C ATOM 685 CG GLN A 48 1.823 -11.783 7.307 1.00 0.00 C ATOM 686 CD GLN A 48 1.444 -10.359 7.663 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.104 -9.714 8.479 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.376 -9.860 7.053 1.00 0.00 N ATOM 0 H GLN A 48 -0.080 -12.536 4.596 1.00 0.00 H new ATOM 0 HA GLN A 48 1.354 -10.843 4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.250 -12.794 6.074 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.403 -11.048 6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.917 -12.370 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.362 -12.231 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.142 -10.430 6.384 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.073 -8.907 7.254 1.00 0.00 H new ATOM 697 N THR A 49 2.235 -11.951 2.361 1.00 0.00 N ATOM 698 CA THR A 49 3.018 -12.049 1.136 1.00 0.00 C ATOM 699 C THR A 49 2.942 -10.757 0.331 1.00 0.00 C ATOM 700 O THR A 49 1.894 -10.117 0.236 1.00 0.00 O ATOM 701 CB THR A 49 2.541 -13.219 0.256 1.00 0.00 C ATOM 702 OG1 THR A 49 3.488 -13.463 -0.790 1.00 0.00 O ATOM 703 CG2 THR A 49 1.177 -12.920 -0.348 1.00 0.00 C ATOM 0 H THR A 49 1.226 -11.928 2.215 1.00 0.00 H new ATOM 0 HA THR A 49 4.051 -12.228 1.434 1.00 0.00 H new ATOM 0 HB THR A 49 2.457 -14.106 0.884 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.178 -14.210 -1.344 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.860 -13.760 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.452 -12.763 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.240 -12.022 -0.962 1.00 0.00 H new ATOM 711 N PRO A 50 4.077 -10.362 -0.266 1.00 0.00 N ATOM 712 CA PRO A 50 4.163 -9.144 -1.075 1.00 0.00 C ATOM 713 C PRO A 50 3.400 -9.265 -2.390 1.00 0.00 C ATOM 714 O PRO A 50 3.815 -9.989 -3.296 1.00 0.00 O ATOM 715 CB PRO A 50 5.664 -9.000 -1.340 1.00 0.00 C ATOM 716 CG PRO A 50 6.202 -10.385 -1.234 1.00 0.00 C ATOM 717 CD PRO A 50 5.363 -11.076 -0.195 1.00 0.00 C ATOM 0 HA PRO A 50 3.721 -8.286 -0.568 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.853 -8.576 -2.326 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.132 -8.337 -0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.141 -10.902 -2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.253 -10.375 -0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.246 -12.137 -0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.810 -11.002 0.797 1.00 0.00 H new ATOM 725 N LEU A 51 2.282 -8.554 -2.487 1.00 0.00 N ATOM 726 CA LEU A 51 1.460 -8.582 -3.692 1.00 0.00 C ATOM 727 C LEU A 51 1.964 -7.572 -4.718 1.00 0.00 C ATOM 728 O LEU A 51 1.273 -7.261 -5.688 1.00 0.00 O ATOM 729 CB LEU A 51 0.000 -8.288 -3.344 1.00 0.00 C ATOM 730 CG LEU A 51 -0.590 -9.096 -2.188 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.685 -8.305 -1.489 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.128 -10.428 -2.688 1.00 0.00 C ATOM 0 H LEU A 51 1.924 -7.951 -1.746 1.00 0.00 H new ATOM 0 HA LEU A 51 1.529 -9.579 -4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.089 -7.229 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.607 -8.465 -4.232 1.00 0.00 H new ATOM 0 HG LEU A 51 0.203 -9.295 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.094 -8.896 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.269 -7.377 -1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.478 -8.075 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.544 -10.989 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.907 -10.251 -3.429 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.319 -11.000 -3.142 1.00 0.00 H new ATOM 744 N ALA A 52 3.172 -7.064 -4.498 1.00 0.00 N ATOM 745 CA ALA A 52 3.770 -6.093 -5.405 1.00 0.00 C ATOM 746 C ALA A 52 3.557 -6.497 -6.860 1.00 0.00 C ATOM 747 O ALA A 52 4.288 -7.327 -7.398 1.00 0.00 O ATOM 748 CB ALA A 52 5.255 -5.939 -5.110 1.00 0.00 C ATOM 0 H ALA A 52 3.756 -7.309 -3.699 1.00 0.00 H new ATOM 0 HA ALA A 52 3.278 -5.134 -5.246 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.688 -5.211 -5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.388 -5.596 -4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.753 -6.900 -5.239 1.00 0.00 H new ATOM 754 N GLY A 53 2.548 -5.904 -7.493 1.00 0.00 N ATOM 755 CA GLY A 53 2.256 -6.217 -8.879 1.00 0.00 C ATOM 756 C GLY A 53 1.799 -7.650 -9.067 1.00 0.00 C ATOM 757 O GLY A 53 2.160 -8.299 -10.048 1.00 0.00 O ATOM 0 H GLY A 53 1.928 -5.213 -7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.483 -5.542 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.146 -6.041 -9.483 1.00 0.00 H new ATOM 761 N GLN A 54 1.004 -8.144 -8.124 1.00 0.00 N ATOM 762 CA GLN A 54 0.500 -9.511 -8.189 1.00 0.00 C ATOM 763 C GLN A 54 -1.024 -9.526 -8.258 1.00 0.00 C ATOM 764 O GLN A 54 -1.682 -8.572 -7.845 1.00 0.00 O ATOM 765 CB GLN A 54 0.975 -10.311 -6.976 1.00 0.00 C ATOM 766 CG GLN A 54 0.289 -11.660 -6.830 1.00 0.00 C ATOM 767 CD GLN A 54 1.074 -12.622 -5.960 1.00 0.00 C ATOM 768 OE1 GLN A 54 0.550 -13.166 -4.987 1.00 0.00 O ATOM 769 NE2 GLN A 54 2.337 -12.839 -6.307 1.00 0.00 N ATOM 0 H GLN A 54 0.695 -7.619 -7.306 1.00 0.00 H new ATOM 0 HA GLN A 54 0.892 -9.973 -9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.051 -10.466 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.801 -9.725 -6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.703 -11.515 -6.401 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.148 -12.101 -7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.731 -12.367 -7.121 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.914 -13.478 -5.760 1.00 0.00 H new ATOM 778 N GLN A 55 -1.577 -10.614 -8.783 1.00 0.00 N ATOM 779 CA GLN A 55 -3.023 -10.752 -8.907 1.00 0.00 C ATOM 780 C GLN A 55 -3.653 -11.108 -7.564 1.00 0.00 C ATOM 781 O GLN A 55 -3.435 -12.198 -7.035 1.00 0.00 O ATOM 782 CB GLN A 55 -3.368 -11.822 -9.945 1.00 0.00 C ATOM 783 CG GLN A 55 -2.796 -13.192 -9.620 1.00 0.00 C ATOM 784 CD GLN A 55 -2.633 -14.064 -10.849 1.00 0.00 C ATOM 785 OE1 GLN A 55 -3.580 -14.266 -11.611 1.00 0.00 O ATOM 786 NE2 GLN A 55 -1.429 -14.586 -11.050 1.00 0.00 N ATOM 0 H GLN A 55 -1.046 -11.413 -9.129 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.427 -9.794 -9.235 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.452 -11.900 -10.027 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.997 -11.504 -10.919 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.828 -13.071 -9.134 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.450 -13.694 -8.907 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.673 -14.392 -10.393 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.260 -15.181 -11.861 1.00 0.00 H new ATOM 795 N PHE A 56 -4.434 -10.182 -7.018 1.00 0.00 N ATOM 796 CA PHE A 56 -5.094 -10.398 -5.736 1.00 0.00 C ATOM 797 C PHE A 56 -6.429 -9.660 -5.681 1.00 0.00 C ATOM 798 O PHE A 56 -6.831 -9.007 -6.644 1.00 0.00 O ATOM 799 CB PHE A 56 -4.194 -9.933 -4.590 1.00 0.00 C ATOM 800 CG PHE A 56 -3.965 -8.448 -4.572 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.857 -7.604 -3.931 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.857 -7.897 -5.196 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.648 -6.238 -3.914 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.643 -6.532 -5.182 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.540 -5.701 -4.539 1.00 0.00 C ATOM 0 H PHE A 56 -4.625 -9.275 -7.443 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.284 -11.466 -5.629 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.640 -10.235 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.232 -10.440 -4.665 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.725 -8.018 -3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.152 -8.542 -5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.351 -5.590 -3.412 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.776 -6.115 -5.673 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.375 -4.634 -4.525 1.00 0.00 H new ATOM 815 N THR A 57 -7.113 -9.770 -4.546 1.00 0.00 N ATOM 816 CA THR A 57 -8.402 -9.116 -4.364 1.00 0.00 C ATOM 817 C THR A 57 -8.518 -8.506 -2.972 1.00 0.00 C ATOM 818 O THR A 57 -7.913 -8.994 -2.018 1.00 0.00 O ATOM 819 CB THR A 57 -9.567 -10.101 -4.579 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.818 -9.427 -4.401 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.472 -11.270 -3.611 1.00 0.00 C ATOM 0 H THR A 57 -6.795 -10.306 -3.739 1.00 0.00 H new ATOM 0 HA THR A 57 -8.462 -8.324 -5.111 1.00 0.00 H new ATOM 0 HB THR A 57 -9.505 -10.487 -5.597 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.553 -10.060 -4.541 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.305 -11.952 -3.781 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.532 -11.798 -3.770 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.511 -10.899 -2.587 1.00 0.00 H new ATOM 829 N SER A 58 -9.299 -7.437 -2.863 1.00 0.00 N ATOM 830 CA SER A 58 -9.492 -6.758 -1.587 1.00 0.00 C ATOM 831 C SER A 58 -10.758 -7.253 -0.894 1.00 0.00 C ATOM 832 O SER A 58 -11.805 -7.404 -1.524 1.00 0.00 O ATOM 833 CB SER A 58 -9.571 -5.244 -1.797 1.00 0.00 C ATOM 834 OG SER A 58 -8.539 -4.795 -2.659 1.00 0.00 O ATOM 0 H SER A 58 -9.809 -7.022 -3.643 1.00 0.00 H new ATOM 0 HA SER A 58 -8.637 -6.985 -0.950 1.00 0.00 H new ATOM 0 HB2 SER A 58 -10.541 -4.982 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.494 -4.736 -0.836 1.00 0.00 H new ATOM 0 HG SER A 58 -7.775 -4.493 -2.125 1.00 0.00 H new ATOM 840 N ARG A 59 -10.653 -7.503 0.407 1.00 0.00 N ATOM 841 CA ARG A 59 -11.788 -7.983 1.187 1.00 0.00 C ATOM 842 C ARG A 59 -11.831 -7.309 2.555 1.00 0.00 C ATOM 843 O ARG A 59 -10.802 -7.149 3.212 1.00 0.00 O ATOM 844 CB ARG A 59 -11.713 -9.501 1.356 1.00 0.00 C ATOM 845 CG ARG A 59 -13.063 -10.154 1.606 1.00 0.00 C ATOM 846 CD ARG A 59 -13.812 -10.399 0.306 1.00 0.00 C ATOM 847 NE ARG A 59 -14.676 -11.574 0.386 1.00 0.00 N ATOM 848 CZ ARG A 59 -15.569 -11.894 -0.544 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.713 -11.132 -1.620 1.00 0.00 N ATOM 850 NH2 ARG A 59 -16.319 -12.979 -0.400 1.00 0.00 N ATOM 0 H ARG A 59 -9.794 -7.381 0.943 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.701 -7.730 0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.269 -9.936 0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.047 -9.733 2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.920 -11.100 2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.661 -9.517 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.413 -9.523 0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.096 -10.530 -0.506 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.589 -12.182 1.200 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -15.137 -10.298 -1.735 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.399 -11.380 -2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -16.210 -13.568 0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -17.004 -13.224 -1.115 1.00 0.00 H new ATOM 864 N ASP A 60 -13.027 -6.915 2.978 1.00 0.00 N ATOM 865 CA ASP A 60 -13.205 -6.259 4.268 1.00 0.00 C ATOM 866 C ASP A 60 -12.197 -5.128 4.446 1.00 0.00 C ATOM 867 O ASP A 60 -11.688 -4.905 5.544 1.00 0.00 O ATOM 868 CB ASP A 60 -13.059 -7.273 5.404 1.00 0.00 C ATOM 869 CG ASP A 60 -12.057 -8.364 5.081 1.00 0.00 C ATOM 870 OD1 ASP A 60 -12.434 -9.329 4.383 1.00 0.00 O ATOM 871 OD2 ASP A 60 -10.896 -8.252 5.526 1.00 0.00 O ATOM 0 H ASP A 60 -13.888 -7.039 2.446 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.209 -5.835 4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.748 -6.755 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -14.029 -7.725 5.611 1.00 0.00 H new ATOM 876 N GLU A 61 -11.912 -4.420 3.358 1.00 0.00 N ATOM 877 CA GLU A 61 -10.962 -3.313 3.394 1.00 0.00 C ATOM 878 C GLU A 61 -9.557 -3.813 3.714 1.00 0.00 C ATOM 879 O GLU A 61 -8.773 -3.121 4.364 1.00 0.00 O ATOM 880 CB GLU A 61 -11.395 -2.275 4.432 1.00 0.00 C ATOM 881 CG GLU A 61 -12.827 -1.800 4.258 1.00 0.00 C ATOM 882 CD GLU A 61 -13.053 -0.410 4.819 1.00 0.00 C ATOM 883 OE1 GLU A 61 -12.997 -0.252 6.056 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.286 0.521 4.019 1.00 0.00 O ATOM 0 H GLU A 61 -12.325 -4.592 2.441 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.947 -2.847 2.409 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.281 -2.701 5.429 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.727 -1.416 4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -13.081 -1.806 3.198 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.501 -2.501 4.751 1.00 0.00 H new ATOM 891 N ASP A 62 -9.245 -5.020 3.254 1.00 0.00 N ATOM 892 CA ASP A 62 -7.934 -5.614 3.489 1.00 0.00 C ATOM 893 C ASP A 62 -7.482 -6.429 2.282 1.00 0.00 C ATOM 894 O ASP A 62 -8.231 -7.236 1.731 1.00 0.00 O ATOM 895 CB ASP A 62 -7.969 -6.500 4.735 1.00 0.00 C ATOM 896 CG ASP A 62 -7.782 -5.708 6.015 1.00 0.00 C ATOM 897 OD1 ASP A 62 -8.603 -4.804 6.277 1.00 0.00 O ATOM 898 OD2 ASP A 62 -6.816 -5.992 6.753 1.00 0.00 O ATOM 0 H ASP A 62 -9.883 -5.606 2.716 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.219 -4.806 3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.921 -7.029 4.774 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.187 -7.256 4.662 1.00 0.00 H new ATOM 903 N PRO A 63 -6.227 -6.215 1.859 1.00 0.00 N ATOM 904 CA PRO A 63 -5.647 -6.920 0.712 1.00 0.00 C ATOM 905 C PRO A 63 -5.401 -8.396 1.004 1.00 0.00 C ATOM 906 O PRO A 63 -4.692 -8.743 1.949 1.00 0.00 O ATOM 907 CB PRO A 63 -4.320 -6.192 0.482 1.00 0.00 C ATOM 908 CG PRO A 63 -3.971 -5.613 1.810 1.00 0.00 C ATOM 909 CD PRO A 63 -5.278 -5.268 2.468 1.00 0.00 C ATOM 0 HA PRO A 63 -6.311 -6.908 -0.152 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.547 -6.877 0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.421 -5.414 -0.275 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.408 -6.327 2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.345 -4.728 1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.228 -5.390 3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.564 -4.234 2.276 1.00 0.00 H new ATOM 917 N TYR A 64 -5.991 -9.262 0.187 1.00 0.00 N ATOM 918 CA TYR A 64 -5.837 -10.702 0.358 1.00 0.00 C ATOM 919 C TYR A 64 -5.432 -11.366 -0.954 1.00 0.00 C ATOM 920 O TYR A 64 -6.035 -11.121 -1.999 1.00 0.00 O ATOM 921 CB TYR A 64 -7.138 -11.317 0.875 1.00 0.00 C ATOM 922 CG TYR A 64 -7.395 -11.048 2.341 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.762 -11.795 3.326 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.271 -10.046 2.740 1.00 0.00 C ATOM 925 CE1 TYR A 64 -6.995 -11.553 4.666 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.509 -9.796 4.078 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.868 -10.552 5.037 1.00 0.00 C ATOM 928 OH TYR A 64 -8.102 -10.307 6.371 1.00 0.00 O ATOM 0 H TYR A 64 -6.580 -8.992 -0.600 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.047 -10.873 1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.972 -10.927 0.291 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.111 -12.394 0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.076 -12.578 3.040 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.775 -9.452 1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.496 -12.145 5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.193 -9.013 4.371 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.741 -9.569 6.461 1.00 0.00 H new ATOM 938 N CYS A 65 -4.408 -12.210 -0.891 1.00 0.00 N ATOM 939 CA CYS A 65 -3.921 -12.912 -2.072 1.00 0.00 C ATOM 940 C CYS A 65 -4.876 -14.033 -2.471 1.00 0.00 C ATOM 941 O CYS A 65 -5.548 -14.622 -1.624 1.00 0.00 O ATOM 942 CB CYS A 65 -2.526 -13.484 -1.812 1.00 0.00 C ATOM 943 SG CYS A 65 -2.529 -15.089 -0.950 1.00 0.00 S ATOM 0 H CYS A 65 -3.899 -12.425 -0.034 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.866 -12.196 -2.892 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.008 -13.596 -2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.956 -12.767 -1.221 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.682 -15.054 0.036 1.00 0.00 H new ATOM 948 N VAL A 66 -4.931 -14.324 -3.767 1.00 0.00 N ATOM 949 CA VAL A 66 -5.802 -15.375 -4.279 1.00 0.00 C ATOM 950 C VAL A 66 -5.732 -16.621 -3.403 1.00 0.00 C ATOM 951 O VAL A 66 -6.740 -17.292 -3.180 1.00 0.00 O ATOM 952 CB VAL A 66 -5.432 -15.756 -5.725 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.352 -16.852 -6.240 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.489 -14.533 -6.628 1.00 0.00 C ATOM 0 H VAL A 66 -4.382 -13.846 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.818 -14.980 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.411 -16.138 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.076 -17.108 -7.263 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.257 -17.734 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.384 -16.500 -6.220 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.225 -14.820 -7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.498 -14.120 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.785 -13.782 -6.268 1.00 0.00 H new ATOM 964 N ALA A 67 -4.536 -16.925 -2.910 1.00 0.00 N ATOM 965 CA ALA A 67 -4.336 -18.090 -2.056 1.00 0.00 C ATOM 966 C ALA A 67 -5.169 -17.987 -0.783 1.00 0.00 C ATOM 967 O ALA A 67 -5.711 -18.983 -0.302 1.00 0.00 O ATOM 968 CB ALA A 67 -2.861 -18.245 -1.714 1.00 0.00 C ATOM 0 H ALA A 67 -3.691 -16.381 -3.087 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.666 -18.973 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.725 -19.118 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.286 -18.373 -2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.514 -17.355 -1.189 1.00 0.00 H new ATOM 974 N CYS A 68 -5.267 -16.778 -0.241 1.00 0.00 N ATOM 975 CA CYS A 68 -6.033 -16.545 0.977 1.00 0.00 C ATOM 976 C CYS A 68 -7.508 -16.321 0.657 1.00 0.00 C ATOM 977 O CYS A 68 -8.383 -16.975 1.225 1.00 0.00 O ATOM 978 CB CYS A 68 -5.474 -15.338 1.733 1.00 0.00 C ATOM 979 SG CYS A 68 -3.963 -15.692 2.687 1.00 0.00 S ATOM 0 H CYS A 68 -4.825 -15.944 -0.627 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.946 -17.431 1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.262 -14.542 1.019 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.239 -14.962 2.412 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.248 -14.611 2.784 1.00 0.00 H new ATOM 984 N PHE A 69 -7.776 -15.394 -0.256 1.00 0.00 N ATOM 985 CA PHE A 69 -9.144 -15.082 -0.651 1.00 0.00 C ATOM 986 C PHE A 69 -9.941 -16.359 -0.902 1.00 0.00 C ATOM 987 O PHE A 69 -11.065 -16.507 -0.425 1.00 0.00 O ATOM 988 CB PHE A 69 -9.149 -14.209 -1.907 1.00 0.00 C ATOM 989 CG PHE A 69 -10.518 -14.002 -2.489 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.457 -13.228 -1.827 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.867 -14.584 -3.697 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.718 -13.035 -2.359 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.126 -14.394 -4.235 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.053 -13.620 -3.564 1.00 0.00 C ATOM 0 H PHE A 69 -7.063 -14.845 -0.737 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.615 -14.534 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.715 -13.239 -1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.508 -14.667 -2.660 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.201 -12.770 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.147 -15.193 -4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.440 -12.428 -1.833 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.385 -14.850 -5.179 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.038 -13.473 -3.981 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.350 -17.280 -1.658 1.00 0.00 N ATOM 1005 CA GLY A 70 -10.019 -18.532 -1.961 1.00 0.00 C ATOM 1006 C GLY A 70 -9.671 -19.629 -0.975 1.00 0.00 C ATOM 1007 O GLY A 70 -9.699 -20.810 -1.316 1.00 0.00 O ATOM 0 H GLY A 70 -8.420 -17.181 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.097 -18.374 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.746 -18.852 -2.967 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.341 -19.236 0.252 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.983 -20.196 1.290 1.00 0.00 C ATOM 1013 C GLU A 71 -9.675 -19.856 2.607 1.00 0.00 C ATOM 1014 O GLU A 71 -10.061 -20.746 3.366 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.467 -20.224 1.490 1.00 0.00 C ATOM 1016 CG GLU A 71 -7.025 -21.059 2.680 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.940 -22.538 2.355 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -7.686 -22.993 1.463 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -6.128 -23.240 2.993 1.00 0.00 O ATOM 0 H GLU A 71 -9.314 -18.261 0.551 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.317 -21.182 0.968 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.997 -20.616 0.588 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.107 -19.203 1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.051 -20.710 3.023 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.724 -20.911 3.503 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.827 -18.563 2.872 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.471 -18.104 4.097 1.00 0.00 C ATOM 1028 C LEU A 72 -11.968 -17.900 3.882 1.00 0.00 C ATOM 1029 O LEU A 72 -12.791 -18.607 4.462 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.831 -16.800 4.575 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.477 -16.933 5.274 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.402 -17.344 4.280 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.101 -15.629 5.961 1.00 0.00 C ATOM 0 H LEU A 72 -9.513 -17.814 2.255 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.333 -18.870 4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.710 -16.141 3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.523 -16.308 5.258 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.556 -17.710 6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.445 -17.434 4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.666 -18.303 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.323 -16.590 3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.135 -15.742 6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.040 -14.832 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.859 -15.377 6.703 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.313 -16.929 3.043 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.710 -16.633 2.749 1.00 0.00 C ATOM 1047 C PHE A 73 -14.367 -17.791 2.004 1.00 0.00 C ATOM 1048 O PHE A 73 -15.490 -18.186 2.316 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.818 -15.351 1.920 1.00 0.00 C ATOM 1050 CG PHE A 73 -12.899 -14.258 2.384 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.184 -13.535 3.532 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.750 -13.952 1.673 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.340 -12.528 3.960 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -10.902 -12.947 2.097 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.197 -12.234 3.242 1.00 0.00 C ATOM 0 H PHE A 73 -11.644 -16.334 2.555 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.232 -16.491 3.695 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.598 -15.582 0.878 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.846 -14.990 1.956 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.075 -13.761 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.514 -14.506 0.776 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.574 -11.971 4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.009 -12.719 1.533 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.536 -11.448 3.576 1.00 0.00 H new