USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 396 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 34 CYS SG : rot 149:sc= 0.908 USER MOD Set 1.2: A 37 CYS SG : rot -50:sc= 0.346 USER MOD Set 1.3: A 60 CYS SG : rot -133:sc= 0.418 USER MOD Set 1.4: A 63 CYS SG : rot 104:sc= 0.228 USER MOD Set 2.1: A 19 CYS SG : rot 147:sc= 0.428 USER MOD Set 2.2: A 22 CYS SG : rot -56:sc= 0.0376 USER MOD Set 2.3: A 42 HIS : no HD1:sc= -3.31 X(o=-2.9,f=-3) USER MOD Set 2.4: A 45 CYS SG : rot 134:sc= -0.0595 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0517 K(o=-0.052,f=-0.84) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -109:sc= 0.0681 (180deg=-0.736) USER MOD Single : A 40 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.7) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 183 N SER A 16 10.841 13.547 8.543 1.00 0.00 N ATOM 184 CA SER A 16 11.939 12.708 8.078 1.00 0.00 C ATOM 185 C SER A 16 11.430 11.337 7.644 1.00 0.00 C ATOM 186 O SER A 16 10.267 10.996 7.864 1.00 0.00 O ATOM 187 CB SER A 16 12.990 12.550 9.179 1.00 0.00 C ATOM 188 OG SER A 16 14.258 13.007 8.743 1.00 0.00 O ATOM 0 HA SER A 16 12.396 13.195 7.217 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.682 13.109 10.063 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.059 11.503 9.473 1.00 0.00 H new ATOM 0 HG SER A 16 14.911 12.897 9.465 1.00 0.00 H new ATOM 194 N TYR A 17 12.308 10.555 7.027 1.00 0.00 N ATOM 195 CA TYR A 17 11.948 9.221 6.560 1.00 0.00 C ATOM 196 C TYR A 17 12.840 8.161 7.199 1.00 0.00 C ATOM 197 O TYR A 17 14.041 8.103 6.935 1.00 0.00 O ATOM 198 CB TYR A 17 12.058 9.145 5.036 1.00 0.00 C ATOM 199 CG TYR A 17 11.438 10.326 4.325 1.00 0.00 C ATOM 200 CD1 TYR A 17 10.116 10.686 4.556 1.00 0.00 C ATOM 201 CD2 TYR A 17 12.174 11.083 3.421 1.00 0.00 C ATOM 202 CE1 TYR A 17 9.545 11.764 3.907 1.00 0.00 C ATOM 203 CE2 TYR A 17 11.612 12.163 2.769 1.00 0.00 C ATOM 204 CZ TYR A 17 10.298 12.500 3.016 1.00 0.00 C ATOM 205 OH TYR A 17 9.734 13.575 2.367 1.00 0.00 O ATOM 0 H TYR A 17 13.274 10.821 6.838 1.00 0.00 H new ATOM 0 HA TYR A 17 10.916 9.027 6.854 1.00 0.00 H new ATOM 0 HB2 TYR A 17 13.110 9.076 4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.577 8.230 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 17 9.524 10.113 5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.204 10.822 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 17 8.515 12.029 4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 17 12.198 12.740 2.070 1.00 0.00 H new ATOM 0 HH TYR A 17 10.399 13.986 1.775 1.00 0.00 H new ATOM 215 N ILE A 18 12.242 7.323 8.040 1.00 0.00 N ATOM 216 CA ILE A 18 12.980 6.264 8.716 1.00 0.00 C ATOM 217 C ILE A 18 12.469 4.888 8.302 1.00 0.00 C ATOM 218 O ILE A 18 11.264 4.636 8.301 1.00 0.00 O ATOM 219 CB ILE A 18 12.881 6.397 10.247 1.00 0.00 C ATOM 220 CG1 ILE A 18 13.173 7.836 10.675 1.00 0.00 C ATOM 221 CG2 ILE A 18 13.841 5.431 10.925 1.00 0.00 C ATOM 222 CD1 ILE A 18 14.530 8.336 10.229 1.00 0.00 C ATOM 0 H ILE A 18 11.249 7.357 8.269 1.00 0.00 H new ATOM 0 HA ILE A 18 14.023 6.367 8.418 1.00 0.00 H new ATOM 0 HB ILE A 18 11.866 6.146 10.555 1.00 0.00 H new ATOM 0 HG12 ILE A 18 12.402 8.491 10.269 1.00 0.00 H new ATOM 0 HG13 ILE A 18 13.109 7.904 11.761 1.00 0.00 H new ATOM 0 HG21 ILE A 18 13.760 5.537 12.007 1.00 0.00 H new ATOM 0 HG22 ILE A 18 13.590 4.409 10.640 1.00 0.00 H new ATOM 0 HG23 ILE A 18 14.862 5.654 10.614 1.00 0.00 H new ATOM 0 HD11 ILE A 18 14.669 9.363 10.567 1.00 0.00 H new ATOM 0 HD12 ILE A 18 15.309 7.705 10.657 1.00 0.00 H new ATOM 0 HD13 ILE A 18 14.591 8.301 9.141 1.00 0.00 H new ATOM 234 N CYS A 19 13.394 4.000 7.953 1.00 0.00 N ATOM 235 CA CYS A 19 13.038 2.648 7.538 1.00 0.00 C ATOM 236 C CYS A 19 12.173 1.965 8.594 1.00 0.00 C ATOM 237 O CYS A 19 12.257 2.283 9.780 1.00 0.00 O ATOM 238 CB CYS A 19 14.300 1.821 7.286 1.00 0.00 C ATOM 239 SG CYS A 19 13.993 0.232 6.450 1.00 0.00 S ATOM 0 H CYS A 19 14.396 4.192 7.949 1.00 0.00 H new ATOM 0 HA CYS A 19 12.465 2.718 6.613 1.00 0.00 H new ATOM 0 HB2 CYS A 19 14.992 2.409 6.683 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.792 1.629 8.240 1.00 0.00 H new ATOM 0 HG CYS A 19 14.999 -0.054 5.678 1.00 0.00 H new ATOM 244 N GLN A 20 11.342 1.026 8.153 1.00 0.00 N ATOM 245 CA GLN A 20 10.461 0.300 9.059 1.00 0.00 C ATOM 246 C GLN A 20 10.944 -1.134 9.255 1.00 0.00 C ATOM 247 O GLN A 20 10.162 -2.023 9.590 1.00 0.00 O ATOM 248 CB GLN A 20 9.029 0.298 8.520 1.00 0.00 C ATOM 249 CG GLN A 20 8.241 1.546 8.884 1.00 0.00 C ATOM 250 CD GLN A 20 7.801 1.557 10.335 1.00 0.00 C ATOM 251 OE1 GLN A 20 7.470 0.515 10.903 1.00 0.00 O ATOM 252 NE2 GLN A 20 7.796 2.737 10.944 1.00 0.00 N ATOM 0 H GLN A 20 11.261 0.751 7.174 1.00 0.00 H new ATOM 0 HA GLN A 20 10.478 0.806 10.024 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.058 0.200 7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 20 8.506 -0.577 8.905 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.852 2.427 8.687 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.363 1.617 8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.078 3.575 10.435 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.510 2.806 11.921 1.00 0.00 H new ATOM 261 N VAL A 21 12.239 -1.350 9.045 1.00 0.00 N ATOM 262 CA VAL A 21 12.827 -2.675 9.199 1.00 0.00 C ATOM 263 C VAL A 21 14.122 -2.612 10.002 1.00 0.00 C ATOM 264 O VAL A 21 14.379 -3.462 10.854 1.00 0.00 O ATOM 265 CB VAL A 21 13.115 -3.324 7.833 1.00 0.00 C ATOM 266 CG1 VAL A 21 13.758 -4.691 8.015 1.00 0.00 C ATOM 267 CG2 VAL A 21 11.837 -3.432 7.015 1.00 0.00 C ATOM 0 H VAL A 21 12.900 -0.625 8.768 1.00 0.00 H new ATOM 0 HA VAL A 21 12.099 -3.283 9.736 1.00 0.00 H new ATOM 0 HB VAL A 21 13.815 -2.690 7.290 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.954 -5.134 7.038 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.696 -4.582 8.559 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.085 -5.338 8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 21 12.059 -3.893 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.112 -4.044 7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.423 -2.437 6.854 1.00 0.00 H new ATOM 277 N CYS A 22 14.934 -1.597 9.725 1.00 0.00 N ATOM 278 CA CYS A 22 16.203 -1.420 10.421 1.00 0.00 C ATOM 279 C CYS A 22 16.204 -0.127 11.231 1.00 0.00 C ATOM 280 O CYS A 22 17.035 0.061 12.119 1.00 0.00 O ATOM 281 CB CYS A 22 17.360 -1.410 9.420 1.00 0.00 C ATOM 282 SG CYS A 22 17.300 -0.033 8.230 1.00 0.00 S ATOM 0 H CYS A 22 14.735 -0.884 9.023 1.00 0.00 H new ATOM 0 HA CYS A 22 16.333 -2.257 11.107 1.00 0.00 H new ATOM 0 HB2 CYS A 22 18.301 -1.362 9.968 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.359 -2.351 8.871 1.00 0.00 H new ATOM 0 HG CYS A 22 16.166 -0.057 7.595 1.00 0.00 H new ATOM 287 N SER A 23 15.266 0.762 10.917 1.00 0.00 N ATOM 288 CA SER A 23 15.161 2.039 11.613 1.00 0.00 C ATOM 289 C SER A 23 16.403 2.892 11.373 1.00 0.00 C ATOM 290 O SER A 23 17.141 3.209 12.306 1.00 0.00 O ATOM 291 CB SER A 23 14.965 1.812 13.113 1.00 0.00 C ATOM 292 OG SER A 23 14.125 0.697 13.355 1.00 0.00 O ATOM 0 H SER A 23 14.569 0.621 10.186 1.00 0.00 H new ATOM 0 HA SER A 23 14.295 2.570 11.218 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.932 1.652 13.589 1.00 0.00 H new ATOM 0 HB3 SER A 23 14.530 2.704 13.565 1.00 0.00 H new ATOM 0 HG SER A 23 14.017 0.572 14.321 1.00 0.00 H new ATOM 298 N ARG A 24 16.626 3.260 10.116 1.00 0.00 N ATOM 299 CA ARG A 24 17.779 4.075 9.752 1.00 0.00 C ATOM 300 C ARG A 24 17.340 5.352 9.042 1.00 0.00 C ATOM 301 O ARG A 24 16.148 5.585 8.843 1.00 0.00 O ATOM 302 CB ARG A 24 18.730 3.281 8.855 1.00 0.00 C ATOM 303 CG ARG A 24 19.719 2.422 9.625 1.00 0.00 C ATOM 304 CD ARG A 24 20.788 3.269 10.297 1.00 0.00 C ATOM 305 NE ARG A 24 21.707 2.461 11.093 1.00 0.00 N ATOM 306 CZ ARG A 24 21.418 1.998 12.305 1.00 0.00 C ATOM 307 NH1 ARG A 24 20.242 2.263 12.856 1.00 0.00 N ATOM 308 NH2 ARG A 24 22.307 1.269 12.967 1.00 0.00 N ATOM 0 H ARG A 24 16.024 3.007 9.333 1.00 0.00 H new ATOM 0 HA ARG A 24 18.301 4.350 10.669 1.00 0.00 H new ATOM 0 HB2 ARG A 24 18.144 2.642 8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 24 19.281 3.975 8.220 1.00 0.00 H new ATOM 0 HG2 ARG A 24 19.188 1.840 10.378 1.00 0.00 H new ATOM 0 HG3 ARG A 24 20.190 1.711 8.946 1.00 0.00 H new ATOM 0 HD2 ARG A 24 21.349 3.814 9.538 1.00 0.00 H new ATOM 0 HD3 ARG A 24 20.312 4.013 10.936 1.00 0.00 H new ATOM 0 HE ARG A 24 22.621 2.240 10.698 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.556 2.823 12.350 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.023 1.907 13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.213 1.063 12.546 1.00 0.00 H new ATOM 0 HH22 ARG A 24 22.084 0.914 13.897 1.00 0.00 H new ATOM 322 N GLY A 25 18.311 6.176 8.662 1.00 0.00 N ATOM 323 CA GLY A 25 18.005 7.419 7.978 1.00 0.00 C ATOM 324 C GLY A 25 18.993 7.732 6.872 1.00 0.00 C ATOM 325 O GLY A 25 18.609 8.201 5.801 1.00 0.00 O ATOM 0 H GLY A 25 19.305 6.005 8.816 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.001 7.361 7.558 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.002 8.236 8.700 1.00 0.00 H new ATOM 329 N ASP A 26 20.270 7.473 7.132 1.00 0.00 N ATOM 330 CA ASP A 26 21.317 7.730 6.150 1.00 0.00 C ATOM 331 C ASP A 26 21.069 6.938 4.870 1.00 0.00 C ATOM 332 O ASP A 26 21.568 7.293 3.803 1.00 0.00 O ATOM 333 CB ASP A 26 22.687 7.372 6.728 1.00 0.00 C ATOM 334 CG ASP A 26 23.475 8.596 7.152 1.00 0.00 C ATOM 335 OD1 ASP A 26 22.845 9.598 7.553 1.00 0.00 O ATOM 336 OD2 ASP A 26 24.721 8.553 7.084 1.00 0.00 O ATOM 0 H ASP A 26 20.605 7.085 8.014 1.00 0.00 H new ATOM 0 HA ASP A 26 21.300 8.793 5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 26 22.555 6.713 7.586 1.00 0.00 H new ATOM 0 HB3 ASP A 26 23.258 6.816 5.984 1.00 0.00 H new ATOM 341 N GLU A 27 20.295 5.863 4.986 1.00 0.00 N ATOM 342 CA GLU A 27 19.982 5.021 3.838 1.00 0.00 C ATOM 343 C GLU A 27 18.790 5.576 3.064 1.00 0.00 C ATOM 344 O GLU A 27 18.369 5.004 2.058 1.00 0.00 O ATOM 345 CB GLU A 27 19.688 3.590 4.293 1.00 0.00 C ATOM 346 CG GLU A 27 20.935 2.747 4.497 1.00 0.00 C ATOM 347 CD GLU A 27 21.644 2.429 3.195 1.00 0.00 C ATOM 348 OE1 GLU A 27 21.070 2.711 2.122 1.00 0.00 O ATOM 349 OE2 GLU A 27 22.774 1.900 3.249 1.00 0.00 O ATOM 0 H GLU A 27 19.874 5.555 5.863 1.00 0.00 H new ATOM 0 HA GLU A 27 20.849 5.014 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 27 19.126 3.623 5.226 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.050 3.107 3.553 1.00 0.00 H new ATOM 0 HG2 GLU A 27 21.621 3.274 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 27 20.662 1.816 4.995 1.00 0.00 H new ATOM 356 N ASP A 28 18.251 6.692 3.541 1.00 0.00 N ATOM 357 CA ASP A 28 17.107 7.325 2.895 1.00 0.00 C ATOM 358 C ASP A 28 17.352 7.491 1.398 1.00 0.00 C ATOM 359 O ASP A 28 16.411 7.519 0.605 1.00 0.00 O ATOM 360 CB ASP A 28 16.824 8.687 3.532 1.00 0.00 C ATOM 361 CG ASP A 28 17.950 9.677 3.305 1.00 0.00 C ATOM 362 OD1 ASP A 28 19.123 9.297 3.501 1.00 0.00 O ATOM 363 OD2 ASP A 28 17.657 10.833 2.932 1.00 0.00 O ATOM 0 H ASP A 28 18.588 7.177 4.373 1.00 0.00 H new ATOM 0 HA ASP A 28 16.239 6.680 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 28 15.899 9.092 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 28 16.667 8.559 4.603 1.00 0.00 H new ATOM 368 N ASP A 29 18.620 7.601 1.020 1.00 0.00 N ATOM 369 CA ASP A 29 18.989 7.764 -0.381 1.00 0.00 C ATOM 370 C ASP A 29 18.329 6.693 -1.245 1.00 0.00 C ATOM 371 O ASP A 29 18.061 6.911 -2.427 1.00 0.00 O ATOM 372 CB ASP A 29 20.509 7.701 -0.542 1.00 0.00 C ATOM 373 CG ASP A 29 21.182 9.015 -0.201 1.00 0.00 C ATOM 374 OD1 ASP A 29 21.343 9.854 -1.113 1.00 0.00 O ATOM 375 OD2 ASP A 29 21.547 9.207 0.977 1.00 0.00 O ATOM 0 H ASP A 29 19.410 7.580 1.664 1.00 0.00 H new ATOM 0 HA ASP A 29 18.637 8.741 -0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 29 20.907 6.915 0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 29 20.752 7.428 -1.569 1.00 0.00 H new ATOM 380 N LYS A 30 18.070 5.535 -0.647 1.00 0.00 N ATOM 381 CA LYS A 30 17.442 4.429 -1.360 1.00 0.00 C ATOM 382 C LYS A 30 16.167 3.981 -0.653 1.00 0.00 C ATOM 383 O LYS A 30 15.813 2.801 -0.678 1.00 0.00 O ATOM 384 CB LYS A 30 18.414 3.253 -1.477 1.00 0.00 C ATOM 385 CG LYS A 30 19.568 3.510 -2.430 1.00 0.00 C ATOM 386 CD LYS A 30 20.547 2.348 -2.446 1.00 0.00 C ATOM 387 CE LYS A 30 20.845 1.889 -3.865 1.00 0.00 C ATOM 388 NZ LYS A 30 21.248 3.024 -4.742 1.00 0.00 N ATOM 0 H LYS A 30 18.286 5.338 0.330 1.00 0.00 H new ATOM 0 HA LYS A 30 17.180 4.776 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.814 3.023 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.867 2.372 -1.812 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.181 3.675 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.088 4.421 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.474 2.646 -1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 30 20.136 1.517 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.641 1.144 -3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 30 19.963 1.403 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.487 3.224 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.422 3.868 -4.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.116 2.773 -5.257 1.00 0.00 H new ATOM 402 N LEU A 31 15.480 4.928 -0.024 1.00 0.00 N ATOM 403 CA LEU A 31 14.243 4.630 0.689 1.00 0.00 C ATOM 404 C LEU A 31 13.041 4.723 -0.245 1.00 0.00 C ATOM 405 O LEU A 31 12.908 5.678 -1.011 1.00 0.00 O ATOM 406 CB LEU A 31 14.065 5.593 1.865 1.00 0.00 C ATOM 407 CG LEU A 31 14.291 5.001 3.257 1.00 0.00 C ATOM 408 CD1 LEU A 31 14.069 6.057 4.328 1.00 0.00 C ATOM 409 CD2 LEU A 31 13.376 3.807 3.484 1.00 0.00 C ATOM 0 H LEU A 31 15.759 5.909 0.007 1.00 0.00 H new ATOM 0 HA LEU A 31 14.307 3.610 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.752 6.429 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.055 6.001 1.825 1.00 0.00 H new ATOM 0 HG LEU A 31 15.324 4.659 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.234 5.618 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.766 6.881 4.177 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.047 6.431 4.264 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.551 3.399 4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.337 4.124 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.584 3.042 2.736 1.00 0.00 H new ATOM 421 N LEU A 32 12.166 3.725 -0.175 1.00 0.00 N ATOM 422 CA LEU A 32 10.972 3.694 -1.013 1.00 0.00 C ATOM 423 C LEU A 32 9.778 4.300 -0.282 1.00 0.00 C ATOM 424 O LEU A 32 9.745 4.339 0.948 1.00 0.00 O ATOM 425 CB LEU A 32 10.654 2.257 -1.429 1.00 0.00 C ATOM 426 CG LEU A 32 11.539 1.665 -2.527 1.00 0.00 C ATOM 427 CD1 LEU A 32 12.937 1.392 -1.997 1.00 0.00 C ATOM 428 CD2 LEU A 32 10.918 0.391 -3.083 1.00 0.00 C ATOM 0 H LEU A 32 12.261 2.927 0.453 1.00 0.00 H new ATOM 0 HA LEU A 32 11.169 4.289 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.728 1.620 -0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.618 2.218 -1.765 1.00 0.00 H new ATOM 0 HG LEU A 32 11.616 2.391 -3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.552 0.971 -2.792 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.382 2.324 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.881 0.685 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.561 -0.017 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.810 -0.341 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.938 0.617 -3.502 1.00 0.00 H new ATOM 440 N PHE A 33 8.798 4.769 -1.047 1.00 0.00 N ATOM 441 CA PHE A 33 7.601 5.372 -0.472 1.00 0.00 C ATOM 442 C PHE A 33 6.352 4.596 -0.881 1.00 0.00 C ATOM 443 O PHE A 33 6.136 4.322 -2.061 1.00 0.00 O ATOM 444 CB PHE A 33 7.476 6.831 -0.915 1.00 0.00 C ATOM 445 CG PHE A 33 8.758 7.605 -0.797 1.00 0.00 C ATOM 446 CD1 PHE A 33 9.511 7.550 0.364 1.00 0.00 C ATOM 447 CD2 PHE A 33 9.209 8.388 -1.848 1.00 0.00 C ATOM 448 CE1 PHE A 33 10.691 8.261 0.476 1.00 0.00 C ATOM 449 CE2 PHE A 33 10.388 9.101 -1.742 1.00 0.00 C ATOM 450 CZ PHE A 33 11.130 9.038 -0.578 1.00 0.00 C ATOM 0 H PHE A 33 8.809 4.743 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 33 7.691 5.336 0.614 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.137 6.860 -1.951 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.709 7.320 -0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 33 9.172 6.944 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 33 8.633 8.441 -2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 33 11.269 8.209 1.387 1.00 0.00 H new ATOM 0 HE2 PHE A 33 10.729 9.707 -2.568 1.00 0.00 H new ATOM 0 HZ PHE A 33 12.051 9.595 -0.493 1.00 0.00 H new ATOM 460 N CYS A 34 5.533 4.243 0.105 1.00 0.00 N ATOM 461 CA CYS A 34 4.306 3.498 -0.149 1.00 0.00 C ATOM 462 C CYS A 34 3.169 4.439 -0.536 1.00 0.00 C ATOM 463 O CYS A 34 3.016 5.516 0.041 1.00 0.00 O ATOM 464 CB CYS A 34 3.913 2.686 1.087 1.00 0.00 C ATOM 465 SG CYS A 34 2.274 1.900 0.969 1.00 0.00 S ATOM 0 H CYS A 34 5.698 4.461 1.088 1.00 0.00 H new ATOM 0 HA CYS A 34 4.489 2.817 -0.980 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.663 1.914 1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.929 3.340 1.959 1.00 0.00 H new ATOM 0 HG CYS A 34 2.275 0.791 1.647 1.00 0.00 H new ATOM 470 N ASP A 35 2.374 4.024 -1.516 1.00 0.00 N ATOM 471 CA ASP A 35 1.249 4.828 -1.980 1.00 0.00 C ATOM 472 C ASP A 35 -0.025 4.469 -1.222 1.00 0.00 C ATOM 473 O ASP A 35 -1.087 4.298 -1.818 1.00 0.00 O ATOM 474 CB ASP A 35 1.037 4.628 -3.482 1.00 0.00 C ATOM 475 CG ASP A 35 0.002 5.578 -4.051 1.00 0.00 C ATOM 476 OD1 ASP A 35 0.035 6.774 -3.695 1.00 0.00 O ATOM 477 OD2 ASP A 35 -0.842 5.126 -4.854 1.00 0.00 O ATOM 0 H ASP A 35 2.488 3.136 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 35 1.480 5.876 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.984 4.773 -4.002 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.725 3.601 -3.668 1.00 0.00 H new ATOM 482 N GLY A 36 0.090 4.356 0.098 1.00 0.00 N ATOM 483 CA GLY A 36 -1.060 4.017 0.916 1.00 0.00 C ATOM 484 C GLY A 36 -0.888 4.439 2.362 1.00 0.00 C ATOM 485 O GLY A 36 -1.835 4.903 2.998 1.00 0.00 O ATOM 0 H GLY A 36 0.958 4.493 0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.949 4.496 0.504 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.228 2.941 0.872 1.00 0.00 H new ATOM 489 N CYS A 37 0.324 4.278 2.884 1.00 0.00 N ATOM 490 CA CYS A 37 0.617 4.644 4.264 1.00 0.00 C ATOM 491 C CYS A 37 1.801 5.605 4.332 1.00 0.00 C ATOM 492 O CYS A 37 2.178 6.066 5.409 1.00 0.00 O ATOM 493 CB CYS A 37 0.914 3.393 5.093 1.00 0.00 C ATOM 494 SG CYS A 37 2.403 2.486 4.565 1.00 0.00 S ATOM 0 H CYS A 37 1.119 3.896 2.371 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.260 5.145 4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.029 3.682 6.138 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.056 2.723 5.040 1.00 0.00 H new ATOM 0 HG CYS A 37 2.352 2.278 3.283 1.00 0.00 H new ATOM 499 N ASP A 38 2.382 5.902 3.175 1.00 0.00 N ATOM 500 CA ASP A 38 3.521 6.808 3.102 1.00 0.00 C ATOM 501 C ASP A 38 4.613 6.388 4.081 1.00 0.00 C ATOM 502 O ASP A 38 5.039 7.175 4.927 1.00 0.00 O ATOM 503 CB ASP A 38 3.079 8.242 3.397 1.00 0.00 C ATOM 504 CG ASP A 38 4.140 9.262 3.033 1.00 0.00 C ATOM 505 OD1 ASP A 38 5.167 8.865 2.443 1.00 0.00 O ATOM 506 OD2 ASP A 38 3.944 10.457 3.337 1.00 0.00 O ATOM 0 H ASP A 38 2.082 5.528 2.275 1.00 0.00 H new ATOM 0 HA ASP A 38 3.926 6.762 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.166 8.459 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.839 8.334 4.456 1.00 0.00 H new ATOM 511 N ASP A 39 5.062 5.144 3.960 1.00 0.00 N ATOM 512 CA ASP A 39 6.105 4.619 4.834 1.00 0.00 C ATOM 513 C ASP A 39 7.459 4.631 4.133 1.00 0.00 C ATOM 514 O ASP A 39 7.569 5.049 2.981 1.00 0.00 O ATOM 515 CB ASP A 39 5.759 3.197 5.278 1.00 0.00 C ATOM 516 CG ASP A 39 4.942 3.171 6.555 1.00 0.00 C ATOM 517 OD1 ASP A 39 4.473 4.247 6.981 1.00 0.00 O ATOM 518 OD2 ASP A 39 4.771 2.075 7.128 1.00 0.00 O ATOM 0 H ASP A 39 4.720 4.480 3.265 1.00 0.00 H new ATOM 0 HA ASP A 39 6.166 5.261 5.713 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.203 2.697 4.485 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.679 2.632 5.427 1.00 0.00 H new ATOM 523 N ASN A 40 8.489 4.171 4.836 1.00 0.00 N ATOM 524 CA ASN A 40 9.837 4.131 4.281 1.00 0.00 C ATOM 525 C ASN A 40 10.419 2.723 4.367 1.00 0.00 C ATOM 526 O ASN A 40 10.521 2.148 5.451 1.00 0.00 O ATOM 527 CB ASN A 40 10.745 5.116 5.020 1.00 0.00 C ATOM 528 CG ASN A 40 10.002 6.358 5.473 1.00 0.00 C ATOM 529 OD1 ASN A 40 9.955 6.667 6.664 1.00 0.00 O ATOM 530 ND2 ASN A 40 9.417 7.078 4.522 1.00 0.00 N ATOM 0 H ASN A 40 8.416 3.821 5.791 1.00 0.00 H new ATOM 0 HA ASN A 40 9.779 4.418 3.231 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.184 4.622 5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.569 5.406 4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.903 7.924 4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 40 9.482 6.784 3.547 1.00 0.00 H new ATOM 537 N TYR A 41 10.798 2.175 3.218 1.00 0.00 N ATOM 538 CA TYR A 41 11.368 0.834 3.163 1.00 0.00 C ATOM 539 C TYR A 41 12.554 0.786 2.204 1.00 0.00 C ATOM 540 O TYR A 41 12.492 1.315 1.094 1.00 0.00 O ATOM 541 CB TYR A 41 10.306 -0.177 2.729 1.00 0.00 C ATOM 542 CG TYR A 41 9.238 -0.419 3.772 1.00 0.00 C ATOM 543 CD1 TYR A 41 9.404 -1.388 4.753 1.00 0.00 C ATOM 544 CD2 TYR A 41 8.063 0.323 3.776 1.00 0.00 C ATOM 545 CE1 TYR A 41 8.431 -1.612 5.707 1.00 0.00 C ATOM 546 CE2 TYR A 41 7.085 0.106 4.727 1.00 0.00 C ATOM 547 CZ TYR A 41 7.273 -0.863 5.690 1.00 0.00 C ATOM 548 OH TYR A 41 6.302 -1.082 6.640 1.00 0.00 O ATOM 0 H TYR A 41 10.721 2.638 2.313 1.00 0.00 H new ATOM 0 HA TYR A 41 11.720 0.575 4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.833 0.176 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.792 -1.123 2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 41 10.309 -1.976 4.770 1.00 0.00 H new ATOM 0 HD2 TYR A 41 7.912 1.082 3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.576 -2.370 6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.178 0.692 4.716 1.00 0.00 H new ATOM 0 HH TYR A 41 5.551 -0.471 6.488 1.00 0.00 H new ATOM 558 N HIS A 42 13.634 0.146 2.641 1.00 0.00 N ATOM 559 CA HIS A 42 14.836 0.026 1.823 1.00 0.00 C ATOM 560 C HIS A 42 14.681 -1.087 0.791 1.00 0.00 C ATOM 561 O HIS A 42 13.640 -1.741 0.721 1.00 0.00 O ATOM 562 CB HIS A 42 16.054 -0.247 2.705 1.00 0.00 C ATOM 563 CG HIS A 42 16.402 0.891 3.615 1.00 0.00 C ATOM 564 ND1 HIS A 42 17.047 0.720 4.821 1.00 0.00 N ATOM 565 CD2 HIS A 42 16.191 2.222 3.488 1.00 0.00 C ATOM 566 CE1 HIS A 42 17.217 1.896 5.398 1.00 0.00 C ATOM 567 NE2 HIS A 42 16.707 2.825 4.609 1.00 0.00 N ATOM 0 H HIS A 42 13.702 -0.298 3.557 1.00 0.00 H new ATOM 0 HA HIS A 42 14.983 0.969 1.296 1.00 0.00 H new ATOM 0 HB2 HIS A 42 15.865 -1.137 3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 42 16.911 -0.468 2.069 1.00 0.00 H new ATOM 0 HD2 HIS A 42 15.707 2.718 2.659 1.00 0.00 H new ATOM 0 HE1 HIS A 42 17.692 2.069 6.352 1.00 0.00 H new ATOM 0 HE2 HIS A 42 16.698 3.827 4.801 1.00 0.00 H new ATOM 575 N ILE A 43 15.722 -1.294 -0.009 1.00 0.00 N ATOM 576 CA ILE A 43 15.700 -2.328 -1.037 1.00 0.00 C ATOM 577 C ILE A 43 16.384 -3.601 -0.550 1.00 0.00 C ATOM 578 O ILE A 43 16.282 -4.653 -1.181 1.00 0.00 O ATOM 579 CB ILE A 43 16.389 -1.851 -2.329 1.00 0.00 C ATOM 580 CG1 ILE A 43 17.829 -1.422 -2.037 1.00 0.00 C ATOM 581 CG2 ILE A 43 15.607 -0.707 -2.955 1.00 0.00 C ATOM 582 CD1 ILE A 43 18.683 -1.290 -3.278 1.00 0.00 C ATOM 0 H ILE A 43 16.590 -0.760 0.035 1.00 0.00 H new ATOM 0 HA ILE A 43 14.652 -2.540 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 43 16.413 -2.679 -3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 43 17.816 -0.467 -1.512 1.00 0.00 H new ATOM 0 HG13 ILE A 43 18.287 -2.149 -1.366 1.00 0.00 H new ATOM 0 HG21 ILE A 43 16.107 -0.381 -3.867 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.598 -1.044 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.555 0.125 -2.253 1.00 0.00 H new ATOM 0 HD11 ILE A 43 19.690 -0.983 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 43 18.727 -2.250 -3.793 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.248 -0.542 -3.941 1.00 0.00 H new ATOM 594 N PHE A 44 17.079 -3.499 0.578 1.00 0.00 N ATOM 595 CA PHE A 44 17.778 -4.643 1.151 1.00 0.00 C ATOM 596 C PHE A 44 17.192 -5.014 2.510 1.00 0.00 C ATOM 597 O PHE A 44 17.815 -5.732 3.293 1.00 0.00 O ATOM 598 CB PHE A 44 19.271 -4.336 1.294 1.00 0.00 C ATOM 599 CG PHE A 44 19.550 -3.012 1.947 1.00 0.00 C ATOM 600 CD1 PHE A 44 19.679 -2.917 3.323 1.00 0.00 C ATOM 601 CD2 PHE A 44 19.684 -1.863 1.184 1.00 0.00 C ATOM 602 CE1 PHE A 44 19.937 -1.701 3.927 1.00 0.00 C ATOM 603 CE2 PHE A 44 19.942 -0.644 1.783 1.00 0.00 C ATOM 604 CZ PHE A 44 20.067 -0.563 3.156 1.00 0.00 C ATOM 0 H PHE A 44 17.173 -2.636 1.113 1.00 0.00 H new ATOM 0 HA PHE A 44 17.651 -5.490 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 44 19.742 -5.127 1.878 1.00 0.00 H new ATOM 0 HB3 PHE A 44 19.733 -4.350 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 44 19.577 -3.804 3.931 1.00 0.00 H new ATOM 0 HD2 PHE A 44 19.586 -1.920 0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 44 20.037 -1.641 5.001 1.00 0.00 H new ATOM 0 HE2 PHE A 44 20.046 0.244 1.178 1.00 0.00 H new ATOM 0 HZ PHE A 44 20.266 0.389 3.626 1.00 0.00 H new ATOM 614 N CYS A 45 15.989 -4.520 2.783 1.00 0.00 N ATOM 615 CA CYS A 45 15.317 -4.798 4.047 1.00 0.00 C ATOM 616 C CYS A 45 14.059 -5.632 3.822 1.00 0.00 C ATOM 617 O CYS A 45 13.609 -6.351 4.715 1.00 0.00 O ATOM 618 CB CYS A 45 14.956 -3.490 4.755 1.00 0.00 C ATOM 619 SG CYS A 45 16.355 -2.696 5.608 1.00 0.00 S ATOM 0 H CYS A 45 15.459 -3.925 2.146 1.00 0.00 H new ATOM 0 HA CYS A 45 16.001 -5.367 4.677 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.548 -2.793 4.022 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.167 -3.688 5.480 1.00 0.00 H new ATOM 0 HG CYS A 45 16.364 -1.425 5.337 1.00 0.00 H new ATOM 624 N LEU A 46 13.495 -5.530 2.624 1.00 0.00 N ATOM 625 CA LEU A 46 12.288 -6.275 2.280 1.00 0.00 C ATOM 626 C LEU A 46 12.576 -7.771 2.200 1.00 0.00 C ATOM 627 O LEU A 46 13.650 -8.229 2.593 1.00 0.00 O ATOM 628 CB LEU A 46 11.722 -5.780 0.948 1.00 0.00 C ATOM 629 CG LEU A 46 11.629 -4.263 0.780 1.00 0.00 C ATOM 630 CD1 LEU A 46 11.394 -3.901 -0.678 1.00 0.00 C ATOM 631 CD2 LEU A 46 10.522 -3.697 1.657 1.00 0.00 C ATOM 0 H LEU A 46 13.854 -4.939 1.874 1.00 0.00 H new ATOM 0 HA LEU A 46 11.551 -6.108 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.341 -6.177 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.725 -6.201 0.821 1.00 0.00 H new ATOM 0 HG LEU A 46 12.575 -3.823 1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.331 -2.817 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.220 -4.274 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.462 -4.352 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.470 -2.616 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.569 -4.144 1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.733 -3.925 2.702 1.00 0.00 H new ATOM 643 N LEU A 47 11.612 -8.526 1.686 1.00 0.00 N ATOM 644 CA LEU A 47 11.762 -9.971 1.551 1.00 0.00 C ATOM 645 C LEU A 47 10.634 -10.560 0.710 1.00 0.00 C ATOM 646 O LEU A 47 9.495 -10.690 1.159 1.00 0.00 O ATOM 647 CB LEU A 47 11.784 -10.632 2.930 1.00 0.00 C ATOM 648 CG LEU A 47 12.777 -11.782 3.108 1.00 0.00 C ATOM 649 CD1 LEU A 47 13.260 -11.851 4.548 1.00 0.00 C ATOM 650 CD2 LEU A 47 12.144 -13.102 2.691 1.00 0.00 C ATOM 0 H LEU A 47 10.718 -8.162 1.356 1.00 0.00 H new ATOM 0 HA LEU A 47 12.707 -10.167 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.008 -9.867 3.674 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.783 -11.006 3.148 1.00 0.00 H new ATOM 0 HG LEU A 47 13.638 -11.597 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.966 -12.675 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.752 -10.915 4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.409 -12.013 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.864 -13.909 2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.265 -13.295 3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 47 11.848 -13.049 1.643 1.00 0.00 H new ATOM 662 N PRO A 48 10.956 -10.926 -0.539 1.00 0.00 N ATOM 663 CA PRO A 48 12.308 -10.776 -1.085 1.00 0.00 C ATOM 664 C PRO A 48 12.682 -9.315 -1.312 1.00 0.00 C ATOM 665 O PRO A 48 11.837 -8.473 -1.617 1.00 0.00 O ATOM 666 CB PRO A 48 12.239 -11.524 -2.418 1.00 0.00 C ATOM 667 CG PRO A 48 10.800 -11.477 -2.804 1.00 0.00 C ATOM 668 CD PRO A 48 10.025 -11.516 -1.516 1.00 0.00 C ATOM 0 HA PRO A 48 13.067 -11.162 -0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.867 -11.049 -3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.588 -12.551 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 48 10.576 -10.571 -3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.539 -12.321 -3.442 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.100 -10.943 -1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.749 -12.535 -1.244 1.00 0.00 H new ATOM 676 N PRO A 49 13.978 -9.004 -1.162 1.00 0.00 N ATOM 677 CA PRO A 49 14.493 -7.645 -1.348 1.00 0.00 C ATOM 678 C PRO A 49 14.456 -7.205 -2.807 1.00 0.00 C ATOM 679 O PRO A 49 14.376 -8.034 -3.714 1.00 0.00 O ATOM 680 CB PRO A 49 15.940 -7.743 -0.855 1.00 0.00 C ATOM 681 CG PRO A 49 16.304 -9.176 -1.035 1.00 0.00 C ATOM 682 CD PRO A 49 15.041 -9.957 -0.800 1.00 0.00 C ATOM 0 HA PRO A 49 13.895 -6.906 -0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 49 16.599 -7.092 -1.429 1.00 0.00 H new ATOM 0 HB3 PRO A 49 16.024 -7.441 0.189 1.00 0.00 H new ATOM 0 HG2 PRO A 49 16.694 -9.357 -2.037 1.00 0.00 H new ATOM 0 HG3 PRO A 49 17.082 -9.472 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 49 15.003 -10.855 -1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 49 14.955 -10.280 0.238 1.00 0.00 H new ATOM 690 N LEU A 50 14.516 -5.896 -3.028 1.00 0.00 N ATOM 691 CA LEU A 50 14.489 -5.346 -4.378 1.00 0.00 C ATOM 692 C LEU A 50 15.888 -4.931 -4.825 1.00 0.00 C ATOM 693 O LEU A 50 16.787 -4.716 -4.012 1.00 0.00 O ATOM 694 CB LEU A 50 13.544 -4.145 -4.443 1.00 0.00 C ATOM 695 CG LEU A 50 12.057 -4.469 -4.589 1.00 0.00 C ATOM 696 CD1 LEU A 50 11.220 -3.207 -4.451 1.00 0.00 C ATOM 697 CD2 LEU A 50 11.787 -5.146 -5.925 1.00 0.00 C ATOM 0 H LEU A 50 14.584 -5.196 -2.289 1.00 0.00 H new ATOM 0 HA LEU A 50 14.127 -6.122 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.679 -3.552 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.843 -3.518 -5.283 1.00 0.00 H new ATOM 0 HG LEU A 50 11.775 -5.157 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.164 -3.457 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 50 11.390 -2.763 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.504 -2.495 -5.226 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.724 -5.369 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.086 -4.482 -6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.358 -6.072 -5.986 1.00 0.00 H new ATOM 709 N PRO A 51 16.077 -4.815 -6.147 1.00 0.00 N ATOM 710 CA PRO A 51 17.363 -4.422 -6.732 1.00 0.00 C ATOM 711 C PRO A 51 17.703 -2.961 -6.455 1.00 0.00 C ATOM 712 O PRO A 51 18.850 -2.628 -6.157 1.00 0.00 O ATOM 713 CB PRO A 51 17.155 -4.648 -8.231 1.00 0.00 C ATOM 714 CG PRO A 51 15.684 -4.528 -8.432 1.00 0.00 C ATOM 715 CD PRO A 51 15.050 -5.056 -7.174 1.00 0.00 C ATOM 0 HA PRO A 51 18.193 -4.991 -6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 51 17.697 -3.909 -8.822 1.00 0.00 H new ATOM 0 HB3 PRO A 51 17.518 -5.629 -8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 51 15.397 -3.491 -8.608 1.00 0.00 H new ATOM 0 HG3 PRO A 51 15.361 -5.100 -9.302 1.00 0.00 H new ATOM 0 HD2 PRO A 51 14.121 -4.535 -6.943 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.808 -6.115 -7.260 1.00 0.00 H new ATOM 723 N GLU A 52 16.700 -2.095 -6.555 1.00 0.00 N ATOM 724 CA GLU A 52 16.895 -0.670 -6.316 1.00 0.00 C ATOM 725 C GLU A 52 15.566 0.078 -6.370 1.00 0.00 C ATOM 726 O GLU A 52 14.511 -0.524 -6.574 1.00 0.00 O ATOM 727 CB GLU A 52 17.864 -0.085 -7.345 1.00 0.00 C ATOM 728 CG GLU A 52 19.255 0.174 -6.793 1.00 0.00 C ATOM 729 CD GLU A 52 19.877 1.441 -7.349 1.00 0.00 C ATOM 730 OE1 GLU A 52 19.346 2.535 -7.064 1.00 0.00 O ATOM 731 OE2 GLU A 52 20.893 1.338 -8.068 1.00 0.00 O ATOM 0 H GLU A 52 15.745 -2.355 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 52 17.319 -0.550 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.939 -0.769 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 52 17.454 0.850 -7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 52 19.203 0.246 -5.707 1.00 0.00 H new ATOM 0 HG3 GLU A 52 19.898 -0.675 -7.026 1.00 0.00 H new ATOM 738 N ILE A 53 15.625 1.392 -6.184 1.00 0.00 N ATOM 739 CA ILE A 53 14.427 2.222 -6.212 1.00 0.00 C ATOM 740 C ILE A 53 13.602 1.953 -7.466 1.00 0.00 C ATOM 741 O ILE A 53 14.115 1.935 -8.585 1.00 0.00 O ATOM 742 CB ILE A 53 14.779 3.720 -6.153 1.00 0.00 C ATOM 743 CG1 ILE A 53 15.196 4.113 -4.735 1.00 0.00 C ATOM 744 CG2 ILE A 53 13.597 4.560 -6.616 1.00 0.00 C ATOM 745 CD1 ILE A 53 14.060 4.072 -3.737 1.00 0.00 C ATOM 0 H ILE A 53 16.490 1.905 -6.012 1.00 0.00 H new ATOM 0 HA ILE A 53 13.840 1.961 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 53 15.618 3.908 -6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.988 3.443 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.616 5.119 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.861 5.617 -6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.342 4.295 -7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 53 12.740 4.371 -5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.429 4.362 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.277 4.763 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.655 3.061 -3.689 1.00 0.00 H new ATOM 757 N PRO A 54 12.291 1.742 -7.277 1.00 0.00 N ATOM 758 CA PRO A 54 11.365 1.473 -8.381 1.00 0.00 C ATOM 759 C PRO A 54 11.141 2.698 -9.261 1.00 0.00 C ATOM 760 O PRO A 54 11.655 3.780 -8.977 1.00 0.00 O ATOM 761 CB PRO A 54 10.068 1.081 -7.670 1.00 0.00 C ATOM 762 CG PRO A 54 10.153 1.741 -6.337 1.00 0.00 C ATOM 763 CD PRO A 54 11.611 1.749 -5.971 1.00 0.00 C ATOM 0 HA PRO A 54 11.746 0.705 -9.054 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.194 1.421 -8.225 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.982 -0.001 -7.571 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.755 2.755 -6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.567 1.198 -5.595 1.00 0.00 H new ATOM 0 HD2 PRO A 54 11.874 2.630 -5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.880 0.878 -5.373 1.00 0.00 H new ATOM 771 N ARG A 55 10.369 2.522 -10.328 1.00 0.00 N ATOM 772 CA ARG A 55 10.077 3.613 -11.249 1.00 0.00 C ATOM 773 C ARG A 55 8.721 4.239 -10.938 1.00 0.00 C ATOM 774 O ARG A 55 8.644 5.334 -10.382 1.00 0.00 O ATOM 775 CB ARG A 55 10.099 3.110 -12.694 1.00 0.00 C ATOM 776 CG ARG A 55 11.462 2.610 -13.144 1.00 0.00 C ATOM 777 CD ARG A 55 12.129 3.590 -14.096 1.00 0.00 C ATOM 778 NE ARG A 55 12.945 4.573 -13.387 1.00 0.00 N ATOM 779 CZ ARG A 55 14.093 4.279 -12.787 1.00 0.00 C ATOM 780 NH1 ARG A 55 14.558 3.038 -12.811 1.00 0.00 N ATOM 781 NH2 ARG A 55 14.778 5.228 -12.163 1.00 0.00 N ATOM 0 H ARG A 55 9.934 1.633 -10.576 1.00 0.00 H new ATOM 0 HA ARG A 55 10.847 4.375 -11.125 1.00 0.00 H new ATOM 0 HB2 ARG A 55 9.373 2.304 -12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 55 9.781 3.916 -13.355 1.00 0.00 H new ATOM 0 HG2 ARG A 55 12.100 2.456 -12.274 1.00 0.00 H new ATOM 0 HG3 ARG A 55 11.352 1.643 -13.634 1.00 0.00 H new ATOM 0 HD2 ARG A 55 12.753 3.042 -14.802 1.00 0.00 H new ATOM 0 HD3 ARG A 55 11.366 4.105 -14.679 1.00 0.00 H new ATOM 0 HE ARG A 55 12.615 5.538 -13.351 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.034 2.306 -13.291 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.440 2.815 -12.350 1.00 0.00 H new ATOM 0 HH21 ARG A 55 14.423 6.184 -12.144 1.00 0.00 H new ATOM 0 HH22 ARG A 55 15.659 5.002 -11.702 1.00 0.00 H new ATOM 795 N GLY A 56 7.653 3.536 -11.303 1.00 0.00 N ATOM 796 CA GLY A 56 6.314 4.039 -11.055 1.00 0.00 C ATOM 797 C GLY A 56 5.949 4.017 -9.584 1.00 0.00 C ATOM 798 O GLY A 56 6.813 4.175 -8.721 1.00 0.00 O ATOM 0 H GLY A 56 7.691 2.628 -11.766 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.238 5.060 -11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.595 3.440 -11.613 1.00 0.00 H new ATOM 802 N ILE A 57 4.666 3.823 -9.297 1.00 0.00 N ATOM 803 CA ILE A 57 4.190 3.782 -7.920 1.00 0.00 C ATOM 804 C ILE A 57 4.568 2.468 -7.246 1.00 0.00 C ATOM 805 O ILE A 57 4.328 1.389 -7.789 1.00 0.00 O ATOM 806 CB ILE A 57 2.662 3.963 -7.847 1.00 0.00 C ATOM 807 CG1 ILE A 57 2.257 5.314 -8.441 1.00 0.00 C ATOM 808 CG2 ILE A 57 2.183 3.845 -6.408 1.00 0.00 C ATOM 809 CD1 ILE A 57 0.760 5.511 -8.529 1.00 0.00 C ATOM 0 H ILE A 57 3.938 3.692 -9.999 1.00 0.00 H new ATOM 0 HA ILE A 57 4.671 4.608 -7.395 1.00 0.00 H new ATOM 0 HB ILE A 57 2.189 3.174 -8.432 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.685 6.112 -7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.687 5.407 -9.438 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.101 3.975 -6.373 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.443 2.861 -6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.661 4.614 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.546 6.490 -8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.327 4.735 -9.160 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.326 5.451 -7.531 1.00 0.00 H new ATOM 821 N TRP A 58 5.159 2.566 -6.061 1.00 0.00 N ATOM 822 CA TRP A 58 5.569 1.383 -5.312 1.00 0.00 C ATOM 823 C TRP A 58 4.818 1.290 -3.988 1.00 0.00 C ATOM 824 O TRP A 58 4.611 2.297 -3.310 1.00 0.00 O ATOM 825 CB TRP A 58 7.077 1.414 -5.056 1.00 0.00 C ATOM 826 CG TRP A 58 7.561 0.268 -4.220 1.00 0.00 C ATOM 827 CD1 TRP A 58 8.055 -0.923 -4.669 1.00 0.00 C ATOM 828 CD2 TRP A 58 7.595 0.205 -2.790 1.00 0.00 C ATOM 829 NE1 TRP A 58 8.394 -1.723 -3.605 1.00 0.00 N ATOM 830 CE2 TRP A 58 8.122 -1.054 -2.441 1.00 0.00 C ATOM 831 CE3 TRP A 58 7.233 1.089 -1.770 1.00 0.00 C ATOM 832 CZ2 TRP A 58 8.294 -1.448 -1.117 1.00 0.00 C ATOM 833 CZ3 TRP A 58 7.404 0.697 -0.456 1.00 0.00 C ATOM 834 CH2 TRP A 58 7.932 -0.562 -0.139 1.00 0.00 C ATOM 0 H TRP A 58 5.365 3.451 -5.598 1.00 0.00 H new ATOM 0 HA TRP A 58 5.327 0.503 -5.908 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.601 1.404 -6.012 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.335 2.350 -4.561 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.163 -1.196 -5.708 1.00 0.00 H new ATOM 0 HE1 TRP A 58 8.785 -2.663 -3.671 1.00 0.00 H new ATOM 0 HE3 TRP A 58 6.827 2.062 -2.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 8.699 -2.418 -0.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.126 1.372 0.340 1.00 0.00 H new ATOM 0 HH2 TRP A 58 8.056 -0.838 0.898 1.00 0.00 H new ATOM 845 N ARG A 59 4.413 0.077 -3.627 1.00 0.00 N ATOM 846 CA ARG A 59 3.683 -0.146 -2.384 1.00 0.00 C ATOM 847 C ARG A 59 4.475 -1.049 -1.444 1.00 0.00 C ATOM 848 O ARG A 59 5.377 -1.771 -1.871 1.00 0.00 O ATOM 849 CB ARG A 59 2.316 -0.767 -2.675 1.00 0.00 C ATOM 850 CG ARG A 59 1.156 0.197 -2.486 1.00 0.00 C ATOM 851 CD ARG A 59 -0.083 -0.517 -1.969 1.00 0.00 C ATOM 852 NE ARG A 59 -1.178 -0.481 -2.934 1.00 0.00 N ATOM 853 CZ ARG A 59 -1.986 0.562 -3.090 1.00 0.00 C ATOM 854 NH1 ARG A 59 -1.822 1.649 -2.348 1.00 0.00 N ATOM 855 NH2 ARG A 59 -2.961 0.519 -3.989 1.00 0.00 N ATOM 0 H ARG A 59 4.578 -0.766 -4.177 1.00 0.00 H new ATOM 0 HA ARG A 59 3.539 0.819 -1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.306 -1.138 -3.700 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.171 -1.628 -2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.444 0.982 -1.786 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.928 0.684 -3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.165 -1.554 -1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.406 -0.054 -1.037 1.00 0.00 H new ATOM 0 HE ARG A 59 -1.331 -1.301 -3.520 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.074 1.686 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.444 2.448 -2.470 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.091 -0.315 -4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.581 1.320 -4.108 1.00 0.00 H new ATOM 869 N CYS A 60 4.133 -1.005 -0.161 1.00 0.00 N ATOM 870 CA CYS A 60 4.811 -1.818 0.841 1.00 0.00 C ATOM 871 C CYS A 60 4.047 -3.113 1.099 1.00 0.00 C ATOM 872 O CYS A 60 2.851 -3.222 0.828 1.00 0.00 O ATOM 873 CB CYS A 60 4.964 -1.034 2.146 1.00 0.00 C ATOM 874 SG CYS A 60 3.443 -0.950 3.145 1.00 0.00 S ATOM 0 H CYS A 60 3.389 -0.414 0.210 1.00 0.00 H new ATOM 0 HA CYS A 60 5.800 -2.071 0.459 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.753 -1.492 2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.289 -0.020 1.912 1.00 0.00 H new ATOM 0 HG CYS A 60 3.249 0.274 3.539 1.00 0.00 H new ATOM 879 N PRO A 61 4.752 -4.119 1.637 1.00 0.00 N ATOM 880 CA PRO A 61 4.160 -5.425 1.945 1.00 0.00 C ATOM 881 C PRO A 61 3.181 -5.357 3.112 1.00 0.00 C ATOM 882 O PRO A 61 2.286 -6.193 3.234 1.00 0.00 O ATOM 883 CB PRO A 61 5.372 -6.285 2.312 1.00 0.00 C ATOM 884 CG PRO A 61 6.396 -5.314 2.788 1.00 0.00 C ATOM 885 CD PRO A 61 6.181 -4.060 1.987 1.00 0.00 C ATOM 0 HA PRO A 61 3.579 -5.817 1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.123 -7.009 3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.732 -6.850 1.452 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.284 -5.120 3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.403 -5.704 2.639 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.416 -3.168 2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.812 -4.038 1.098 1.00 0.00 H new ATOM 893 N LYS A 62 3.356 -4.356 3.968 1.00 0.00 N ATOM 894 CA LYS A 62 2.488 -4.177 5.125 1.00 0.00 C ATOM 895 C LYS A 62 1.097 -3.721 4.696 1.00 0.00 C ATOM 896 O LYS A 62 0.132 -3.842 5.452 1.00 0.00 O ATOM 897 CB LYS A 62 3.095 -3.157 6.092 1.00 0.00 C ATOM 898 CG LYS A 62 3.733 -3.787 7.318 1.00 0.00 C ATOM 899 CD LYS A 62 2.710 -4.039 8.412 1.00 0.00 C ATOM 900 CE LYS A 62 2.910 -5.401 9.060 1.00 0.00 C ATOM 901 NZ LYS A 62 1.794 -5.746 9.982 1.00 0.00 N ATOM 0 H LYS A 62 4.092 -3.655 3.882 1.00 0.00 H new ATOM 0 HA LYS A 62 2.397 -5.138 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.846 -2.570 5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.316 -2.465 6.413 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.208 -4.728 7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.519 -3.133 7.697 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.787 -3.260 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.706 -3.978 7.993 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.990 -6.163 8.285 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.851 -5.406 9.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.968 -6.681 10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.734 -5.032 10.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.899 -5.766 9.452 1.00 0.00 H new ATOM 915 N CYS A 63 1.000 -3.199 3.478 1.00 0.00 N ATOM 916 CA CYS A 63 -0.273 -2.726 2.947 1.00 0.00 C ATOM 917 C CYS A 63 -0.853 -3.727 1.953 1.00 0.00 C ATOM 918 O CYS A 63 -2.055 -3.997 1.957 1.00 0.00 O ATOM 919 CB CYS A 63 -0.094 -1.365 2.272 1.00 0.00 C ATOM 920 SG CYS A 63 -0.052 0.040 3.430 1.00 0.00 S ATOM 0 H CYS A 63 1.788 -3.093 2.840 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.969 -2.622 3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 63 0.832 -1.376 1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.908 -1.213 1.563 1.00 0.00 H new ATOM 0 HG CYS A 63 1.175 0.445 3.577 1.00 0.00 H new ATOM 925 N ILE A 64 0.008 -4.274 1.102 1.00 0.00 N ATOM 926 CA ILE A 64 -0.418 -5.247 0.103 1.00 0.00 C ATOM 927 C ILE A 64 -0.884 -6.542 0.760 1.00 0.00 C ATOM 928 O ILE A 64 -1.923 -7.095 0.399 1.00 0.00 O ATOM 929 CB ILE A 64 0.714 -5.566 -0.890 1.00 0.00 C ATOM 930 CG1 ILE A 64 1.191 -4.288 -1.583 1.00 0.00 C ATOM 931 CG2 ILE A 64 0.246 -6.588 -1.916 1.00 0.00 C ATOM 932 CD1 ILE A 64 2.561 -4.416 -2.211 1.00 0.00 C ATOM 0 H ILE A 64 1.005 -4.060 1.084 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.250 -4.799 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 64 1.552 -5.991 -0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.471 -4.012 -2.354 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.208 -3.475 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.057 -6.803 -2.611 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.049 -7.506 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.606 -6.188 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.834 -3.473 -2.684 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.293 -4.661 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.545 -5.206 -2.961 1.00 0.00 H new ATOM 944 N LEU A 65 -0.109 -7.019 1.728 1.00 0.00 N ATOM 945 CA LEU A 65 -0.443 -8.249 2.438 1.00 0.00 C ATOM 946 C LEU A 65 -1.718 -8.076 3.256 1.00 0.00 C ATOM 947 O LEU A 65 -2.340 -9.055 3.669 1.00 0.00 O ATOM 948 CB LEU A 65 0.711 -8.662 3.352 1.00 0.00 C ATOM 949 CG LEU A 65 2.025 -9.019 2.656 1.00 0.00 C ATOM 950 CD1 LEU A 65 3.165 -9.071 3.661 1.00 0.00 C ATOM 951 CD2 LEU A 65 1.897 -10.346 1.923 1.00 0.00 C ATOM 0 H LEU A 65 0.754 -6.573 2.039 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.611 -9.032 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.903 -7.848 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.391 -9.521 3.942 1.00 0.00 H new ATOM 0 HG LEU A 65 2.248 -8.243 1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.092 -9.326 3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.272 -8.098 4.140 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.949 -9.826 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.841 -10.584 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.649 -11.133 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.109 -10.273 1.174 1.00 0.00 H new ATOM 963 N ALA A 66 -2.103 -6.825 3.485 1.00 0.00 N ATOM 964 CA ALA A 66 -3.307 -6.524 4.250 1.00 0.00 C ATOM 965 C ALA A 66 -4.528 -6.435 3.341 1.00 0.00 C ATOM 966 O ALA A 66 -5.571 -7.021 3.628 1.00 0.00 O ATOM 967 CB ALA A 66 -3.129 -5.228 5.026 1.00 0.00 C ATOM 0 H ALA A 66 -1.599 -6.003 3.152 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.471 -7.338 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.036 -5.016 5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.288 -5.327 5.712 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.936 -4.411 4.331 1.00 0.00 H new ATOM 973 N GLU A 67 -4.390 -5.698 2.243 1.00 0.00 N ATOM 974 CA GLU A 67 -5.483 -5.532 1.293 1.00 0.00 C ATOM 975 C GLU A 67 -5.714 -6.814 0.499 1.00 0.00 C ATOM 976 O GLU A 67 -6.828 -7.089 0.053 1.00 0.00 O ATOM 977 CB GLU A 67 -5.187 -4.374 0.338 1.00 0.00 C ATOM 978 CG GLU A 67 -4.001 -4.629 -0.578 1.00 0.00 C ATOM 979 CD GLU A 67 -4.421 -4.988 -1.990 1.00 0.00 C ATOM 980 OE1 GLU A 67 -5.263 -5.897 -2.147 1.00 0.00 O ATOM 981 OE2 GLU A 67 -3.908 -4.359 -2.939 1.00 0.00 O ATOM 0 H GLU A 67 -3.533 -5.207 1.990 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.388 -5.306 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.070 -4.181 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.998 -3.472 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.370 -3.740 -0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.396 -5.437 -0.166 1.00 0.00 H new ATOM 988 N CYS A 68 -4.653 -7.595 0.327 1.00 0.00 N ATOM 989 CA CYS A 68 -4.738 -8.848 -0.415 1.00 0.00 C ATOM 990 C CYS A 68 -5.834 -9.743 0.155 1.00 0.00 C ATOM 991 O CYS A 68 -6.311 -9.527 1.269 1.00 0.00 O ATOM 992 CB CYS A 68 -3.395 -9.579 -0.377 1.00 0.00 C ATOM 993 SG CYS A 68 -2.336 -9.251 -1.805 1.00 0.00 S ATOM 0 H CYS A 68 -3.724 -7.383 0.691 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.987 -8.613 -1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -2.863 -9.292 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.579 -10.651 -0.313 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.223 -9.911 -1.681 1.00 0.00 H new