USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 419 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 GLN : amide:sc= -2.14 K(o=-2.1,f=-6.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0236 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0169 K(o=-0.017,f=-1.5) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.251 USER MOD Single : A 37 GLN : amide:sc= -0.237 K(o=-0.24,f=-1.3) USER MOD Single : A 38 GLN : amide:sc= -0.0366 X(o=-0.037,f=-0.19) USER MOD Single : A 46 GLN : amide:sc= 0.00826 X(o=0.0083,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.75 K(o=-0.75,f=-0.15) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.405 -7.239 -2.953 1.00 0.00 N ATOM 230 CA GLN A 19 0.993 -6.585 -1.722 1.00 0.00 C ATOM 231 C GLN A 19 2.129 -6.616 -0.698 1.00 0.00 C ATOM 232 O GLN A 19 2.934 -7.546 -0.687 1.00 0.00 O ATOM 233 CB GLN A 19 -0.274 -7.230 -1.157 1.00 0.00 C ATOM 234 CG GLN A 19 -1.526 -6.499 -1.645 1.00 0.00 C ATOM 235 CD GLN A 19 -2.792 -7.128 -1.058 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.050 -7.070 0.133 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.563 -7.731 -1.958 1.00 0.00 N ATOM 0 HA GLN A 19 0.762 -5.544 -1.946 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.319 -8.277 -1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.240 -7.213 -0.068 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.472 -5.448 -1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.570 -6.533 -2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.287 -7.742 -2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.430 -8.182 -1.666 1.00 0.00 H new ATOM 246 N VAL A 20 2.157 -5.589 0.138 1.00 0.00 N ATOM 247 CA VAL A 20 3.181 -5.488 1.164 1.00 0.00 C ATOM 248 C VAL A 20 2.539 -5.031 2.476 1.00 0.00 C ATOM 249 O VAL A 20 1.658 -4.173 2.474 1.00 0.00 O ATOM 250 CB VAL A 20 4.304 -4.560 0.693 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.833 -4.992 -0.675 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.836 -3.104 0.666 1.00 0.00 C ATOM 0 H VAL A 20 1.487 -4.820 0.126 1.00 0.00 H new ATOM 0 HA VAL A 20 3.636 -6.461 1.346 1.00 0.00 H new ATOM 0 HB VAL A 20 5.124 -4.635 1.408 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.630 -4.317 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.223 -6.008 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.024 -4.960 -1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.652 -2.466 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.992 -3.006 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.530 -2.802 1.667 1.00 0.00 H new ATOM 262 N GLU A 21 3.006 -5.625 3.564 1.00 0.00 N ATOM 263 CA GLU A 21 2.489 -5.290 4.880 1.00 0.00 C ATOM 264 C GLU A 21 3.417 -4.293 5.578 1.00 0.00 C ATOM 265 O GLU A 21 4.576 -4.604 5.849 1.00 0.00 O ATOM 266 CB GLU A 21 2.296 -6.547 5.730 1.00 0.00 C ATOM 267 CG GLU A 21 1.646 -6.207 7.072 1.00 0.00 C ATOM 268 CD GLU A 21 1.351 -7.476 7.876 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.328 -8.195 8.179 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.157 -7.698 8.169 1.00 0.00 O ATOM 0 H GLU A 21 3.737 -6.336 3.561 1.00 0.00 H new ATOM 0 HA GLU A 21 1.513 -4.822 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.674 -7.262 5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.260 -7.027 5.900 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.305 -5.555 7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.721 -5.656 6.903 1.00 0.00 H new ATOM 277 N ILE A 22 2.873 -3.116 5.848 1.00 0.00 N ATOM 278 CA ILE A 22 3.637 -2.072 6.509 1.00 0.00 C ATOM 279 C ILE A 22 4.063 -2.558 7.895 1.00 0.00 C ATOM 280 O ILE A 22 3.219 -2.844 8.743 1.00 0.00 O ATOM 281 CB ILE A 22 2.847 -0.762 6.532 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.309 -0.422 5.141 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.688 0.375 7.115 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.433 -0.419 4.103 1.00 0.00 C ATOM 0 H ILE A 22 1.912 -2.862 5.621 1.00 0.00 H new ATOM 0 HA ILE A 22 4.549 -1.857 5.952 1.00 0.00 H new ATOM 0 HB ILE A 22 1.986 -0.894 7.187 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.547 -1.147 4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.827 0.555 5.163 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.103 1.295 7.120 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.980 0.125 8.135 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.581 0.516 6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.023 -0.174 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.181 0.324 4.379 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.897 -1.405 4.066 1.00 0.00 H new ATOM 296 N THR A 23 5.373 -2.636 8.084 1.00 0.00 N ATOM 297 CA THR A 23 5.921 -3.082 9.353 1.00 0.00 C ATOM 298 C THR A 23 5.823 -1.968 10.397 1.00 0.00 C ATOM 299 O THR A 23 5.471 -2.220 11.549 1.00 0.00 O ATOM 300 CB THR A 23 7.353 -3.561 9.108 1.00 0.00 C ATOM 301 OG1 THR A 23 7.986 -2.451 8.476 1.00 0.00 O ATOM 302 CG2 THR A 23 7.426 -4.676 8.063 1.00 0.00 C ATOM 0 H THR A 23 6.070 -2.398 7.379 1.00 0.00 H new ATOM 0 HA THR A 23 5.349 -3.916 9.759 1.00 0.00 H new ATOM 0 HB THR A 23 7.784 -3.913 10.045 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.920 -2.674 8.283 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.464 -4.980 7.927 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.839 -5.530 8.401 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.027 -4.314 7.116 1.00 0.00 H new ATOM 310 N LYS A 24 6.141 -0.759 9.958 1.00 0.00 N ATOM 311 CA LYS A 24 6.093 0.394 10.840 1.00 0.00 C ATOM 312 C LYS A 24 5.234 1.486 10.199 1.00 0.00 C ATOM 313 O LYS A 24 5.130 1.561 8.976 1.00 0.00 O ATOM 314 CB LYS A 24 7.508 0.855 11.196 1.00 0.00 C ATOM 315 CG LYS A 24 8.203 1.478 9.984 1.00 0.00 C ATOM 316 CD LYS A 24 9.460 0.691 9.608 1.00 0.00 C ATOM 317 CE LYS A 24 10.458 1.576 8.858 1.00 0.00 C ATOM 318 NZ LYS A 24 11.776 1.556 9.531 1.00 0.00 N ATOM 0 H LYS A 24 6.433 -0.553 9.003 1.00 0.00 H new ATOM 0 HA LYS A 24 5.620 0.130 11.786 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.464 1.581 12.008 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.090 0.007 11.558 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.516 1.499 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.469 2.512 10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.927 0.293 10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.187 -0.162 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.562 1.227 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.083 2.598 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.441 2.162 9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.675 1.911 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.139 0.582 9.554 1.00 0.00 H new ATOM 332 N ALA A 25 4.640 2.305 11.054 1.00 0.00 N ATOM 333 CA ALA A 25 3.793 3.390 10.587 1.00 0.00 C ATOM 334 C ALA A 25 4.645 4.400 9.816 1.00 0.00 C ATOM 335 O ALA A 25 5.601 4.953 10.357 1.00 0.00 O ATOM 336 CB ALA A 25 3.072 4.024 11.778 1.00 0.00 C ATOM 0 H ALA A 25 4.728 2.239 12.068 1.00 0.00 H new ATOM 0 HA ALA A 25 3.029 3.015 9.906 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.437 4.838 11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.458 3.272 12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.807 4.415 12.482 1.00 0.00 H new ATOM 342 N PHE A 26 4.267 4.610 8.563 1.00 0.00 N ATOM 343 CA PHE A 26 4.984 5.544 7.712 1.00 0.00 C ATOM 344 C PHE A 26 4.327 6.925 7.737 1.00 0.00 C ATOM 345 O PHE A 26 3.107 7.038 7.624 1.00 0.00 O ATOM 346 CB PHE A 26 4.923 4.989 6.287 1.00 0.00 C ATOM 347 CG PHE A 26 5.508 5.925 5.228 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.697 6.546 5.452 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.839 6.137 4.064 1.00 0.00 C ATOM 350 CE1 PHE A 26 7.240 7.416 4.470 1.00 0.00 C ATOM 351 CE2 PHE A 26 5.382 7.007 3.081 1.00 0.00 C ATOM 352 CZ PHE A 26 6.571 7.628 3.305 1.00 0.00 C ATOM 0 H PHE A 26 3.474 4.149 8.117 1.00 0.00 H new ATOM 0 HA PHE A 26 6.010 5.653 8.063 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.459 4.040 6.254 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.884 4.777 6.035 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.228 6.377 6.377 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.895 5.644 3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.184 7.909 4.648 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.851 7.175 2.156 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.984 8.289 2.558 1.00 0.00 H new ATOM 362 N PHE A 27 5.164 7.941 7.886 1.00 0.00 N ATOM 363 CA PHE A 27 4.679 9.310 7.928 1.00 0.00 C ATOM 364 C PHE A 27 5.017 10.051 6.633 1.00 0.00 C ATOM 365 O PHE A 27 6.163 10.443 6.419 1.00 0.00 O ATOM 366 CB PHE A 27 5.386 10.000 9.096 1.00 0.00 C ATOM 367 CG PHE A 27 5.212 9.286 10.438 1.00 0.00 C ATOM 368 CD1 PHE A 27 3.965 9.027 10.914 1.00 0.00 C ATOM 369 CD2 PHE A 27 6.305 8.909 11.155 1.00 0.00 C ATOM 370 CE1 PHE A 27 3.803 8.365 12.159 1.00 0.00 C ATOM 371 CE2 PHE A 27 6.143 8.247 12.400 1.00 0.00 C ATOM 372 CZ PHE A 27 4.896 7.989 12.876 1.00 0.00 C ATOM 0 H PHE A 27 6.175 7.844 7.979 1.00 0.00 H new ATOM 0 HA PHE A 27 3.596 9.317 8.047 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.450 10.074 8.871 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.008 11.018 9.186 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.097 9.325 10.344 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.296 9.113 10.777 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.812 8.160 12.537 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.011 7.948 12.969 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.773 7.485 13.824 1.00 0.00 H new ATOM 382 N ALA A 28 3.999 10.221 5.802 1.00 0.00 N ATOM 383 CA ALA A 28 4.174 10.908 4.534 1.00 0.00 C ATOM 384 C ALA A 28 5.067 12.133 4.742 1.00 0.00 C ATOM 385 O ALA A 28 4.910 12.861 5.721 1.00 0.00 O ATOM 386 CB ALA A 28 2.805 11.275 3.959 1.00 0.00 C ATOM 0 H ALA A 28 3.050 9.895 5.982 1.00 0.00 H new ATOM 0 HA ALA A 28 4.668 10.259 3.811 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.936 11.790 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.221 10.368 3.803 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.281 11.928 4.656 1.00 0.00 H new ATOM 392 N LYS A 29 5.983 12.324 3.804 1.00 0.00 N ATOM 393 CA LYS A 29 6.901 13.449 3.872 1.00 0.00 C ATOM 394 C LYS A 29 6.634 14.391 2.697 1.00 0.00 C ATOM 395 O LYS A 29 6.730 15.609 2.839 1.00 0.00 O ATOM 396 CB LYS A 29 8.347 12.956 3.949 1.00 0.00 C ATOM 397 CG LYS A 29 8.551 12.039 5.157 1.00 0.00 C ATOM 398 CD LYS A 29 8.494 12.832 6.463 1.00 0.00 C ATOM 399 CE LYS A 29 8.938 11.970 7.647 1.00 0.00 C ATOM 400 NZ LYS A 29 8.507 12.583 8.924 1.00 0.00 N ATOM 0 H LYS A 29 6.109 11.719 2.993 1.00 0.00 H new ATOM 0 HA LYS A 29 6.735 14.022 4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.601 12.420 3.034 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.022 13.809 4.017 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.784 11.265 5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.513 11.534 5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.135 13.711 6.388 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.479 13.191 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.514 10.970 7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.022 11.859 7.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.816 11.986 9.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.931 13.528 9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.470 12.666 8.937 1.00 0.00 H new ATOM 414 N GLN A 30 6.303 13.792 1.562 1.00 0.00 N ATOM 415 CA GLN A 30 6.022 14.562 0.363 1.00 0.00 C ATOM 416 C GLN A 30 4.512 14.738 0.187 1.00 0.00 C ATOM 417 O GLN A 30 3.726 14.200 0.966 1.00 0.00 O ATOM 418 CB GLN A 30 6.644 13.905 -0.870 1.00 0.00 C ATOM 419 CG GLN A 30 8.011 13.302 -0.538 1.00 0.00 C ATOM 420 CD GLN A 30 9.080 14.391 -0.434 1.00 0.00 C ATOM 421 OE1 GLN A 30 9.035 15.262 0.419 1.00 0.00 O ATOM 422 NE2 GLN A 30 10.043 14.293 -1.347 1.00 0.00 N ATOM 0 H GLN A 30 6.223 12.782 1.448 1.00 0.00 H new ATOM 0 HA GLN A 30 6.473 15.548 0.475 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.980 13.126 -1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.751 14.643 -1.665 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.952 12.754 0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.292 12.584 -1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.020 13.539 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.804 14.972 -1.361 1.00 0.00 H new ATOM 431 N ALA A 31 4.152 15.492 -0.841 1.00 0.00 N ATOM 432 CA ALA A 31 2.750 15.745 -1.129 1.00 0.00 C ATOM 433 C ALA A 31 2.164 14.548 -1.881 1.00 0.00 C ATOM 434 O ALA A 31 0.953 14.465 -2.076 1.00 0.00 O ATOM 435 CB ALA A 31 2.618 17.050 -1.916 1.00 0.00 C ATOM 0 H ALA A 31 4.807 15.936 -1.485 1.00 0.00 H new ATOM 0 HA ALA A 31 2.184 15.863 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.567 17.240 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.022 17.873 -1.326 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.172 16.968 -2.851 1.00 0.00 H new ATOM 441 N ASP A 32 3.052 13.651 -2.283 1.00 0.00 N ATOM 442 CA ASP A 32 2.638 12.462 -3.010 1.00 0.00 C ATOM 443 C ASP A 32 2.963 11.221 -2.176 1.00 0.00 C ATOM 444 O ASP A 32 3.557 10.269 -2.679 1.00 0.00 O ATOM 445 CB ASP A 32 3.382 12.344 -4.342 1.00 0.00 C ATOM 446 CG ASP A 32 2.984 13.378 -5.398 1.00 0.00 C ATOM 447 OD1 ASP A 32 1.804 13.790 -5.372 1.00 0.00 O ATOM 448 OD2 ASP A 32 3.868 13.731 -6.207 1.00 0.00 O ATOM 0 H ASP A 32 4.056 13.723 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 32 1.567 12.539 -3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.452 12.433 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.212 11.347 -4.749 1.00 0.00 H new ATOM 453 N GLU A 33 2.559 11.272 -0.915 1.00 0.00 N ATOM 454 CA GLU A 33 2.799 10.164 -0.007 1.00 0.00 C ATOM 455 C GLU A 33 1.542 9.867 0.812 1.00 0.00 C ATOM 456 O GLU A 33 0.633 10.693 0.884 1.00 0.00 O ATOM 457 CB GLU A 33 3.993 10.452 0.905 1.00 0.00 C ATOM 458 CG GLU A 33 5.312 10.308 0.144 1.00 0.00 C ATOM 459 CD GLU A 33 6.503 10.316 1.105 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.246 10.338 2.327 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.644 10.300 0.594 1.00 0.00 O ATOM 0 H GLU A 33 2.067 12.064 -0.501 1.00 0.00 H new ATOM 0 HA GLU A 33 3.040 9.281 -0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.911 11.461 1.310 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.981 9.767 1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.307 9.380 -0.427 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.413 11.123 -0.573 1.00 0.00 H new ATOM 468 N VAL A 34 1.529 8.685 1.411 1.00 0.00 N ATOM 469 CA VAL A 34 0.398 8.268 2.222 1.00 0.00 C ATOM 470 C VAL A 34 0.911 7.663 3.531 1.00 0.00 C ATOM 471 O VAL A 34 1.837 6.854 3.524 1.00 0.00 O ATOM 472 CB VAL A 34 -0.491 7.310 1.428 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.315 6.119 0.906 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.680 6.841 2.269 1.00 0.00 C ATOM 0 H VAL A 34 2.285 8.002 1.351 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.223 9.125 2.481 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.883 7.852 0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.341 5.453 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.112 6.477 0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.749 5.577 1.746 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.296 6.161 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.316 6.325 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.276 7.703 2.569 1.00 0.00 H new ATOM 484 N THR A 35 0.285 8.078 4.622 1.00 0.00 N ATOM 485 CA THR A 35 0.666 7.586 5.936 1.00 0.00 C ATOM 486 C THR A 35 0.046 6.211 6.191 1.00 0.00 C ATOM 487 O THR A 35 -1.149 6.015 5.976 1.00 0.00 O ATOM 488 CB THR A 35 0.258 8.637 6.970 1.00 0.00 C ATOM 489 OG1 THR A 35 1.036 9.781 6.627 1.00 0.00 O ATOM 490 CG2 THR A 35 0.724 8.280 8.383 1.00 0.00 C ATOM 0 H THR A 35 -0.483 8.749 4.624 1.00 0.00 H new ATOM 0 HA THR A 35 1.744 7.440 6.007 1.00 0.00 H new ATOM 0 HB THR A 35 -0.826 8.751 6.963 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.833 10.513 7.247 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.409 9.058 9.078 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.285 7.328 8.681 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.811 8.199 8.398 1.00 0.00 H new ATOM 498 N LEU A 36 0.887 5.293 6.645 1.00 0.00 N ATOM 499 CA LEU A 36 0.437 3.942 6.932 1.00 0.00 C ATOM 500 C LEU A 36 0.742 3.606 8.393 1.00 0.00 C ATOM 501 O LEU A 36 1.523 4.300 9.043 1.00 0.00 O ATOM 502 CB LEU A 36 1.043 2.953 5.934 1.00 0.00 C ATOM 503 CG LEU A 36 1.114 3.424 4.480 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.267 2.746 3.740 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.225 3.215 3.770 1.00 0.00 C ATOM 0 H LEU A 36 1.878 5.459 6.821 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.643 3.866 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.052 2.706 6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.462 2.031 5.968 1.00 0.00 H new ATOM 0 HG LEU A 36 1.316 4.495 4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.295 3.098 2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.209 2.989 4.232 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.121 1.666 3.750 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.147 3.558 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.482 2.156 3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.001 3.782 4.283 1.00 0.00 H new ATOM 517 N GLN A 37 0.110 2.543 8.867 1.00 0.00 N ATOM 518 CA GLN A 37 0.304 2.107 10.240 1.00 0.00 C ATOM 519 C GLN A 37 1.021 0.756 10.271 1.00 0.00 C ATOM 520 O GLN A 37 1.214 0.127 9.232 1.00 0.00 O ATOM 521 CB GLN A 37 -1.029 2.038 10.987 1.00 0.00 C ATOM 522 CG GLN A 37 -1.473 3.428 11.446 1.00 0.00 C ATOM 523 CD GLN A 37 -0.607 3.926 12.604 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.036 3.158 13.361 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.540 5.251 12.699 1.00 0.00 N ATOM 0 H GLN A 37 -0.537 1.970 8.325 1.00 0.00 H new ATOM 0 HA GLN A 37 0.930 2.840 10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.791 1.604 10.339 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.932 1.380 11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.409 4.128 10.613 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.517 3.396 11.756 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.043 5.836 12.032 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.014 5.682 13.439 1.00 0.00 H new ATOM 534 N GLN A 38 1.397 0.349 11.475 1.00 0.00 N ATOM 535 CA GLN A 38 2.089 -0.916 11.655 1.00 0.00 C ATOM 536 C GLN A 38 1.136 -2.084 11.392 1.00 0.00 C ATOM 537 O GLN A 38 0.057 -2.154 11.979 1.00 0.00 O ATOM 538 CB GLN A 38 2.700 -1.012 13.054 1.00 0.00 C ATOM 539 CG GLN A 38 3.354 -2.377 13.275 1.00 0.00 C ATOM 540 CD GLN A 38 2.605 -3.178 14.343 1.00 0.00 C ATOM 541 OE1 GLN A 38 1.391 -3.130 14.454 1.00 0.00 O ATOM 542 NE2 GLN A 38 3.395 -3.913 15.120 1.00 0.00 N ATOM 0 H GLN A 38 1.235 0.873 12.335 1.00 0.00 H new ATOM 0 HA GLN A 38 2.904 -0.968 10.934 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.442 -0.224 13.185 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.926 -0.850 13.804 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.365 -2.935 12.339 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.392 -2.242 13.578 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.404 -3.907 14.972 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.992 -4.483 15.864 1.00 0.00 H new ATOM 551 N ALA A 39 1.569 -2.972 10.509 1.00 0.00 N ATOM 552 CA ALA A 39 0.768 -4.133 10.161 1.00 0.00 C ATOM 553 C ALA A 39 -0.411 -3.692 9.291 1.00 0.00 C ATOM 554 O ALA A 39 -1.554 -4.060 9.555 1.00 0.00 O ATOM 555 CB ALA A 39 0.316 -4.843 11.438 1.00 0.00 C ATOM 0 H ALA A 39 2.464 -2.911 10.024 1.00 0.00 H new ATOM 0 HA ALA A 39 1.356 -4.845 9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.285 -5.714 11.177 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.190 -5.162 12.006 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.280 -4.159 12.043 1.00 0.00 H new ATOM 561 N ASP A 40 -0.092 -2.909 8.271 1.00 0.00 N ATOM 562 CA ASP A 40 -1.110 -2.414 7.360 1.00 0.00 C ATOM 563 C ASP A 40 -0.883 -3.015 5.972 1.00 0.00 C ATOM 564 O ASP A 40 0.257 -3.162 5.534 1.00 0.00 O ATOM 565 CB ASP A 40 -1.042 -0.891 7.233 1.00 0.00 C ATOM 566 CG ASP A 40 -1.743 -0.116 8.350 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.669 -0.592 9.503 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.337 0.935 8.026 1.00 0.00 O ATOM 0 H ASP A 40 0.857 -2.605 8.055 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.084 -2.700 7.756 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.005 -0.590 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.482 -0.601 6.279 1.00 0.00 H new ATOM 573 N VAL A 41 -1.987 -3.348 5.318 1.00 0.00 N ATOM 574 CA VAL A 41 -1.922 -3.930 3.988 1.00 0.00 C ATOM 575 C VAL A 41 -2.102 -2.827 2.944 1.00 0.00 C ATOM 576 O VAL A 41 -2.951 -1.951 3.101 1.00 0.00 O ATOM 577 CB VAL A 41 -2.955 -5.051 3.858 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.867 -5.720 2.484 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.793 -6.079 4.979 1.00 0.00 C ATOM 0 H VAL A 41 -2.931 -3.226 5.685 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.946 -4.383 3.816 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.946 -4.606 3.952 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.612 -6.513 2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.055 -4.980 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.872 -6.144 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.539 -6.865 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.796 -6.516 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.928 -5.590 5.944 1.00 0.00 H new ATOM 589 N VAL A 42 -1.290 -2.905 1.900 1.00 0.00 N ATOM 590 CA VAL A 42 -1.349 -1.924 0.830 1.00 0.00 C ATOM 591 C VAL A 42 -1.191 -2.634 -0.516 1.00 0.00 C ATOM 592 O VAL A 42 -0.262 -3.419 -0.702 1.00 0.00 O ATOM 593 CB VAL A 42 -0.298 -0.836 1.059 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.120 0.027 -0.192 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.654 0.024 2.273 1.00 0.00 C ATOM 0 H VAL A 42 -0.587 -3.633 1.772 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.318 -1.425 0.823 1.00 0.00 H new ATOM 0 HB VAL A 42 0.653 -1.327 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.633 0.792 -0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.202 -0.600 -1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.067 0.504 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.109 0.789 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.620 0.501 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.705 -0.605 3.162 1.00 0.00 H new ATOM 605 N LEU A 43 -2.112 -2.332 -1.419 1.00 0.00 N ATOM 606 CA LEU A 43 -2.086 -2.932 -2.743 1.00 0.00 C ATOM 607 C LEU A 43 -1.190 -2.096 -3.659 1.00 0.00 C ATOM 608 O LEU A 43 -1.545 -0.979 -4.030 1.00 0.00 O ATOM 609 CB LEU A 43 -3.509 -3.116 -3.275 1.00 0.00 C ATOM 610 CG LEU A 43 -3.642 -3.925 -4.566 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.144 -5.358 -4.369 1.00 0.00 C ATOM 612 CD2 LEU A 43 -5.078 -3.885 -5.093 1.00 0.00 C ATOM 0 H LEU A 43 -2.881 -1.680 -1.261 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.654 -3.932 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.105 -3.602 -2.502 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.944 -2.130 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.008 -3.465 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.250 -5.911 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.095 -5.341 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.732 -5.844 -3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.145 -4.468 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.751 -4.306 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.362 -2.853 -5.297 1.00 0.00 H new ATOM 624 N VAL A 44 -0.045 -2.671 -3.998 1.00 0.00 N ATOM 625 CA VAL A 44 0.905 -1.994 -4.864 1.00 0.00 C ATOM 626 C VAL A 44 0.246 -1.716 -6.217 1.00 0.00 C ATOM 627 O VAL A 44 -0.415 -2.587 -6.781 1.00 0.00 O ATOM 628 CB VAL A 44 2.187 -2.819 -4.982 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.155 -2.189 -5.986 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.852 -2.996 -3.616 1.00 0.00 C ATOM 0 H VAL A 44 0.246 -3.598 -3.688 1.00 0.00 H new ATOM 0 HA VAL A 44 1.192 -1.033 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 44 1.916 -3.807 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.058 -2.796 -6.050 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.681 -2.139 -6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.416 -1.183 -5.657 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.761 -3.586 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.102 -2.018 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.167 -3.510 -2.942 1.00 0.00 H new ATOM 640 N LEU A 45 0.450 -0.499 -6.700 1.00 0.00 N ATOM 641 CA LEU A 45 -0.116 -0.095 -7.976 1.00 0.00 C ATOM 642 C LEU A 45 1.018 0.203 -8.960 1.00 0.00 C ATOM 643 O LEU A 45 0.948 -0.179 -10.127 1.00 0.00 O ATOM 644 CB LEU A 45 -1.088 1.071 -7.787 1.00 0.00 C ATOM 645 CG LEU A 45 -2.405 0.738 -7.082 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.898 1.925 -6.252 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.458 0.262 -8.084 1.00 0.00 C ATOM 0 H LEU A 45 1.000 0.221 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.707 -0.905 -8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.582 1.852 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.319 1.488 -8.767 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.224 -0.085 -6.391 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.835 1.662 -5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.152 2.177 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.058 2.783 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.384 0.032 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.643 1.047 -8.818 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.098 -0.632 -8.593 1.00 0.00 H new ATOM 659 N GLN A 46 2.035 0.883 -8.452 1.00 0.00 N ATOM 660 CA GLN A 46 3.182 1.237 -9.271 1.00 0.00 C ATOM 661 C GLN A 46 4.481 0.979 -8.506 1.00 0.00 C ATOM 662 O GLN A 46 4.778 1.666 -7.530 1.00 0.00 O ATOM 663 CB GLN A 46 3.098 2.694 -9.732 1.00 0.00 C ATOM 664 CG GLN A 46 2.534 2.788 -11.152 1.00 0.00 C ATOM 665 CD GLN A 46 1.259 3.633 -11.180 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.288 4.841 -11.351 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.142 2.933 -11.004 1.00 0.00 N ATOM 0 H GLN A 46 2.089 1.198 -7.483 1.00 0.00 H new ATOM 0 HA GLN A 46 3.176 0.607 -10.161 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.466 3.260 -9.048 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.089 3.147 -9.700 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.280 3.226 -11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.320 1.788 -11.529 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.189 1.923 -10.866 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.762 3.406 -11.007 1.00 0.00 H new ATOM 676 N GLN A 47 5.221 -0.015 -8.977 1.00 0.00 N ATOM 677 CA GLN A 47 6.481 -0.372 -8.349 1.00 0.00 C ATOM 678 C GLN A 47 7.621 0.465 -8.933 1.00 0.00 C ATOM 679 O GLN A 47 7.998 0.285 -10.090 1.00 0.00 O ATOM 680 CB GLN A 47 6.765 -1.868 -8.502 1.00 0.00 C ATOM 681 CG GLN A 47 6.157 -2.663 -7.345 1.00 0.00 C ATOM 682 CD GLN A 47 6.803 -4.045 -7.230 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.146 -5.072 -7.281 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.123 -4.014 -7.073 1.00 0.00 N ATOM 0 H GLN A 47 4.971 -0.584 -9.786 1.00 0.00 H new ATOM 0 HA GLN A 47 6.407 -0.157 -7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.356 -2.225 -9.447 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.841 -2.036 -8.537 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.292 -2.116 -6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.083 -2.771 -7.498 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.612 -3.119 -7.039 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.647 -4.885 -6.987 1.00 0.00 H new ATOM 693 N GLU A 48 8.138 1.361 -8.105 1.00 0.00 N ATOM 694 CA GLU A 48 9.227 2.226 -8.525 1.00 0.00 C ATOM 695 C GLU A 48 10.473 1.961 -7.677 1.00 0.00 C ATOM 696 O GLU A 48 10.371 1.728 -6.473 1.00 0.00 O ATOM 697 CB GLU A 48 8.818 3.699 -8.452 1.00 0.00 C ATOM 698 CG GLU A 48 9.761 4.572 -9.282 1.00 0.00 C ATOM 699 CD GLU A 48 9.381 4.534 -10.763 1.00 0.00 C ATOM 700 OE1 GLU A 48 9.804 3.566 -11.433 1.00 0.00 O ATOM 701 OE2 GLU A 48 8.677 5.473 -11.193 1.00 0.00 O ATOM 0 H GLU A 48 7.823 1.506 -7.146 1.00 0.00 H new ATOM 0 HA GLU A 48 9.463 2.000 -9.565 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.796 3.815 -8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.828 4.032 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.725 5.599 -8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.787 4.226 -9.157 1.00 0.00 H new ATOM 708 N ASP A 49 11.620 2.004 -8.338 1.00 0.00 N ATOM 709 CA ASP A 49 12.884 1.771 -7.660 1.00 0.00 C ATOM 710 C ASP A 49 13.125 2.888 -6.642 1.00 0.00 C ATOM 711 O ASP A 49 13.518 3.994 -7.010 1.00 0.00 O ATOM 712 CB ASP A 49 14.050 1.775 -8.651 1.00 0.00 C ATOM 713 CG ASP A 49 15.364 2.332 -8.100 1.00 0.00 C ATOM 714 OD1 ASP A 49 15.928 1.672 -7.201 1.00 0.00 O ATOM 715 OD2 ASP A 49 15.776 3.405 -8.592 1.00 0.00 O ATOM 0 H ASP A 49 11.701 2.197 -9.336 1.00 0.00 H new ATOM 0 HA ASP A 49 12.830 0.798 -7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.220 0.754 -8.993 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.763 2.360 -9.525 1.00 0.00 H new ATOM 720 N GLY A 50 12.879 2.560 -5.382 1.00 0.00 N ATOM 721 CA GLY A 50 13.065 3.521 -4.308 1.00 0.00 C ATOM 722 C GLY A 50 11.759 3.749 -3.545 1.00 0.00 C ATOM 723 O GLY A 50 11.772 3.954 -2.332 1.00 0.00 O ATOM 0 H GLY A 50 12.552 1.642 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.833 3.162 -3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.421 4.466 -4.718 1.00 0.00 H new ATOM 727 N TRP A 51 10.662 3.705 -4.286 1.00 0.00 N ATOM 728 CA TRP A 51 9.350 3.904 -3.694 1.00 0.00 C ATOM 729 C TRP A 51 8.369 2.957 -4.388 1.00 0.00 C ATOM 730 O TRP A 51 8.444 2.758 -5.600 1.00 0.00 O ATOM 731 CB TRP A 51 8.926 5.372 -3.782 1.00 0.00 C ATOM 732 CG TRP A 51 9.711 6.302 -2.855 1.00 0.00 C ATOM 733 CD1 TRP A 51 10.945 6.794 -3.031 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.261 6.836 -1.592 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.322 7.603 -1.979 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.266 7.629 -1.075 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.046 6.656 -0.908 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.159 8.304 0.147 1.00 0.00 C ATOM 739 CZ3 TRP A 51 7.955 7.337 0.312 1.00 0.00 C ATOM 740 CH2 TRP A 51 8.957 8.139 0.845 1.00 0.00 C ATOM 0 H TRP A 51 10.655 3.534 -5.292 1.00 0.00 H new ATOM 0 HA TRP A 51 9.368 3.669 -2.630 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.047 5.714 -4.810 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.865 5.448 -3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.566 6.584 -3.889 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.212 8.092 -1.882 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.246 6.041 -1.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.960 8.918 0.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.042 7.232 0.879 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.809 8.633 1.794 1.00 0.00 H new ATOM 751 N LEU A 52 7.472 2.397 -3.590 1.00 0.00 N ATOM 752 CA LEU A 52 6.477 1.475 -4.113 1.00 0.00 C ATOM 753 C LEU A 52 5.082 2.067 -3.908 1.00 0.00 C ATOM 754 O LEU A 52 4.619 2.198 -2.776 1.00 0.00 O ATOM 755 CB LEU A 52 6.654 0.088 -3.491 1.00 0.00 C ATOM 756 CG LEU A 52 8.097 -0.384 -3.304 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.795 -0.562 -4.654 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.868 0.561 -2.381 1.00 0.00 C ATOM 0 H LEU A 52 7.413 2.564 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 52 6.611 1.338 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.162 0.082 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.133 -0.638 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 52 8.077 -1.361 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.819 -0.898 -4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.259 -1.304 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.805 0.389 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.891 0.202 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.881 1.561 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.382 0.594 -1.406 1.00 0.00 H new ATOM 770 N TYR A 53 4.450 2.409 -5.021 1.00 0.00 N ATOM 771 CA TYR A 53 3.116 2.984 -4.978 1.00 0.00 C ATOM 772 C TYR A 53 2.051 1.891 -4.872 1.00 0.00 C ATOM 773 O TYR A 53 2.174 0.837 -5.493 1.00 0.00 O ATOM 774 CB TYR A 53 2.935 3.729 -6.302 1.00 0.00 C ATOM 775 CG TYR A 53 1.687 4.612 -6.354 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.577 5.702 -5.514 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.670 4.319 -7.240 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.402 6.534 -5.563 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.505 5.150 -7.288 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.580 6.216 -6.448 1.00 0.00 C ATOM 781 OH TYR A 53 -1.690 7.002 -6.494 1.00 0.00 O ATOM 0 H TYR A 53 4.837 2.299 -5.958 1.00 0.00 H new ATOM 0 HA TYR A 53 3.008 3.637 -4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.814 4.349 -6.481 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.887 3.002 -7.113 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.372 5.931 -4.820 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.756 3.466 -7.897 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.303 7.390 -4.912 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.308 4.931 -7.976 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.307 6.657 -7.173 1.00 0.00 H new ATOM 791 N GLY A 54 1.029 2.181 -4.080 1.00 0.00 N ATOM 792 CA GLY A 54 -0.058 1.236 -3.884 1.00 0.00 C ATOM 793 C GLY A 54 -1.290 1.930 -3.302 1.00 0.00 C ATOM 794 O GLY A 54 -1.337 3.157 -3.224 1.00 0.00 O ATOM 0 H GLY A 54 0.931 3.057 -3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.315 0.769 -4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.265 0.439 -3.214 1.00 0.00 H new ATOM 798 N GLU A 55 -2.258 1.115 -2.908 1.00 0.00 N ATOM 799 CA GLU A 55 -3.488 1.636 -2.336 1.00 0.00 C ATOM 800 C GLU A 55 -3.786 0.948 -1.002 1.00 0.00 C ATOM 801 O GLU A 55 -3.933 -0.272 -0.949 1.00 0.00 O ATOM 802 CB GLU A 55 -4.657 1.475 -3.309 1.00 0.00 C ATOM 803 CG GLU A 55 -5.989 1.781 -2.622 1.00 0.00 C ATOM 804 CD GLU A 55 -6.915 0.563 -2.651 1.00 0.00 C ATOM 805 OE1 GLU A 55 -6.396 -0.549 -2.415 1.00 0.00 O ATOM 806 OE2 GLU A 55 -8.120 0.772 -2.910 1.00 0.00 O ATOM 0 H GLU A 55 -2.215 0.098 -2.974 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.357 2.702 -2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.521 2.143 -4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.671 0.458 -3.701 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.809 2.081 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.473 2.622 -3.118 1.00 0.00 H new ATOM 813 N ARG A 56 -3.866 1.760 0.041 1.00 0.00 N ATOM 814 CA ARG A 56 -4.143 1.244 1.371 1.00 0.00 C ATOM 815 C ARG A 56 -5.537 0.615 1.416 1.00 0.00 C ATOM 816 O ARG A 56 -6.540 1.305 1.241 1.00 0.00 O ATOM 817 CB ARG A 56 -4.058 2.354 2.421 1.00 0.00 C ATOM 818 CG ARG A 56 -3.992 1.769 3.833 1.00 0.00 C ATOM 819 CD ARG A 56 -3.508 2.816 4.838 1.00 0.00 C ATOM 820 NE ARG A 56 -4.327 4.044 4.724 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.431 4.970 5.687 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.769 4.814 6.841 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.197 6.053 5.495 1.00 0.00 N ATOM 0 H ARG A 56 -3.744 2.772 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.391 0.487 1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.176 2.968 2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.925 3.008 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.977 1.406 4.127 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.320 0.911 3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.574 2.418 5.851 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.459 3.050 4.655 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.845 4.195 3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.186 3.990 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.848 5.519 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.701 6.172 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.276 6.758 6.228 1.00 0.00 H new ATOM 837 N LEU A 57 -5.556 -0.689 1.653 1.00 0.00 N ATOM 838 CA LEU A 57 -6.810 -1.419 1.723 1.00 0.00 C ATOM 839 C LEU A 57 -7.646 -0.877 2.883 1.00 0.00 C ATOM 840 O LEU A 57 -8.872 -0.977 2.869 1.00 0.00 O ATOM 841 CB LEU A 57 -6.549 -2.925 1.804 1.00 0.00 C ATOM 842 CG LEU A 57 -5.978 -3.575 0.542 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.825 -3.229 -0.684 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.508 -3.199 0.348 1.00 0.00 C ATOM 0 H LEU A 57 -4.722 -1.258 1.799 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.391 -1.268 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.860 -3.111 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.486 -3.423 2.053 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.019 -4.657 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.397 -3.703 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.843 -3.589 -0.536 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.839 -2.148 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.127 -3.674 -0.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.419 -2.117 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.929 -3.538 1.207 1.00 0.00 H new ATOM 856 N ARG A 58 -6.950 -0.314 3.860 1.00 0.00 N ATOM 857 CA ARG A 58 -7.614 0.245 5.026 1.00 0.00 C ATOM 858 C ARG A 58 -8.850 1.041 4.603 1.00 0.00 C ATOM 859 O ARG A 58 -9.977 0.653 4.908 1.00 0.00 O ATOM 860 CB ARG A 58 -6.671 1.159 5.811 1.00 0.00 C ATOM 861 CG ARG A 58 -7.261 1.509 7.179 1.00 0.00 C ATOM 862 CD ARG A 58 -6.215 1.350 8.284 1.00 0.00 C ATOM 863 NE ARG A 58 -6.814 0.671 9.454 1.00 0.00 N ATOM 864 CZ ARG A 58 -7.496 1.300 10.420 1.00 0.00 C ATOM 865 NH1 ARG A 58 -7.670 2.628 10.362 1.00 0.00 N ATOM 866 NH2 ARG A 58 -8.005 0.603 11.445 1.00 0.00 N ATOM 0 H ARG A 58 -5.933 -0.233 3.868 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.914 -0.585 5.666 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.707 0.667 5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.489 2.072 5.245 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.631 2.534 7.168 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.115 0.864 7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.367 0.774 7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.832 2.328 8.577 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.700 -0.340 9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.283 3.159 9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.189 3.107 11.098 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.873 -0.407 11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.524 1.083 12.180 1.00 0.00 H new ATOM 880 N ASP A 59 -8.597 2.139 3.907 1.00 0.00 N ATOM 881 CA ASP A 59 -9.675 2.994 3.438 1.00 0.00 C ATOM 882 C ASP A 59 -9.647 3.051 1.910 1.00 0.00 C ATOM 883 O ASP A 59 -10.675 3.281 1.275 1.00 0.00 O ATOM 884 CB ASP A 59 -9.517 4.420 3.968 1.00 0.00 C ATOM 885 CG ASP A 59 -10.779 5.022 4.592 1.00 0.00 C ATOM 886 OD1 ASP A 59 -11.715 4.235 4.849 1.00 0.00 O ATOM 887 OD2 ASP A 59 -10.778 6.255 4.797 1.00 0.00 O ATOM 0 H ASP A 59 -7.661 2.457 3.656 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.616 2.578 3.798 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.722 4.428 4.713 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.193 5.062 3.149 1.00 0.00 H new ATOM 892 N GLY A 60 -8.459 2.839 1.363 1.00 0.00 N ATOM 893 CA GLY A 60 -8.284 2.864 -0.079 1.00 0.00 C ATOM 894 C GLY A 60 -7.393 4.034 -0.503 1.00 0.00 C ATOM 895 O GLY A 60 -7.433 4.464 -1.654 1.00 0.00 O ATOM 0 H GLY A 60 -7.608 2.649 1.893 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.841 1.925 -0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.256 2.947 -0.566 1.00 0.00 H new ATOM 899 N GLU A 61 -6.610 4.515 0.451 1.00 0.00 N ATOM 900 CA GLU A 61 -5.710 5.627 0.191 1.00 0.00 C ATOM 901 C GLU A 61 -4.561 5.179 -0.714 1.00 0.00 C ATOM 902 O GLU A 61 -3.854 4.223 -0.399 1.00 0.00 O ATOM 903 CB GLU A 61 -5.180 6.220 1.498 1.00 0.00 C ATOM 904 CG GLU A 61 -5.604 7.683 1.648 1.00 0.00 C ATOM 905 CD GLU A 61 -4.619 8.451 2.531 1.00 0.00 C ATOM 906 OE1 GLU A 61 -4.225 7.881 3.571 1.00 0.00 O ATOM 907 OE2 GLU A 61 -4.282 9.592 2.147 1.00 0.00 O ATOM 0 H GLU A 61 -6.580 4.156 1.405 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.268 6.409 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.554 5.641 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.093 6.149 1.519 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.659 8.152 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.603 7.733 2.082 1.00 0.00 H new ATOM 914 N THR A 62 -4.409 5.892 -1.820 1.00 0.00 N ATOM 915 CA THR A 62 -3.358 5.580 -2.773 1.00 0.00 C ATOM 916 C THR A 62 -2.239 6.621 -2.693 1.00 0.00 C ATOM 917 O THR A 62 -2.445 7.786 -3.031 1.00 0.00 O ATOM 918 CB THR A 62 -3.993 5.477 -4.161 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.281 4.921 -3.913 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.302 4.436 -5.045 1.00 0.00 C ATOM 0 H THR A 62 -4.996 6.685 -2.077 1.00 0.00 H new ATOM 0 HA THR A 62 -2.887 4.624 -2.543 1.00 0.00 H new ATOM 0 HB THR A 62 -3.957 6.451 -4.650 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.763 4.821 -4.760 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.791 4.403 -6.018 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.254 4.707 -5.175 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.368 3.456 -4.572 1.00 0.00 H new ATOM 928 N GLY A 63 -1.080 6.164 -2.242 1.00 0.00 N ATOM 929 CA GLY A 63 0.071 7.041 -2.113 1.00 0.00 C ATOM 930 C GLY A 63 1.371 6.283 -2.390 1.00 0.00 C ATOM 931 O GLY A 63 1.344 5.114 -2.770 1.00 0.00 O ATOM 0 H GLY A 63 -0.913 5.198 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.023 7.875 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.099 7.464 -1.109 1.00 0.00 H new ATOM 935 N TRP A 64 2.480 6.981 -2.190 1.00 0.00 N ATOM 936 CA TRP A 64 3.788 6.389 -2.413 1.00 0.00 C ATOM 937 C TRP A 64 4.318 5.892 -1.067 1.00 0.00 C ATOM 938 O TRP A 64 4.413 6.661 -0.111 1.00 0.00 O ATOM 939 CB TRP A 64 4.729 7.383 -3.097 1.00 0.00 C ATOM 940 CG TRP A 64 4.503 7.520 -4.604 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.791 8.453 -5.249 1.00 0.00 C ATOM 942 CD2 TRP A 64 5.022 6.652 -5.634 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.813 8.252 -6.615 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.586 7.122 -6.856 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.834 5.509 -5.536 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.910 6.511 -8.072 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.149 4.909 -6.761 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.718 5.370 -8.000 1.00 0.00 C ATOM 0 H TRP A 64 2.499 7.951 -1.876 1.00 0.00 H new ATOM 0 HA TRP A 64 3.717 5.540 -3.093 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.608 8.361 -2.632 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.759 7.072 -2.921 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.266 9.261 -4.762 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.348 8.827 -7.318 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.187 5.124 -4.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.556 6.899 -9.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.770 4.026 -6.742 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.005 4.850 -8.902 1.00 0.00 H new ATOM 959 N PHE A 65 4.650 4.610 -1.035 1.00 0.00 N ATOM 960 CA PHE A 65 5.168 4.001 0.178 1.00 0.00 C ATOM 961 C PHE A 65 6.460 3.231 -0.103 1.00 0.00 C ATOM 962 O PHE A 65 6.530 2.456 -1.056 1.00 0.00 O ATOM 963 CB PHE A 65 4.103 3.022 0.678 1.00 0.00 C ATOM 964 CG PHE A 65 4.131 1.662 -0.023 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.141 0.787 0.231 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.146 1.329 -0.899 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.166 -0.475 -0.419 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.171 0.066 -1.549 1.00 0.00 C ATOM 969 CZ PHE A 65 4.181 -0.809 -1.296 1.00 0.00 C ATOM 0 H PHE A 65 4.570 3.976 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 65 5.390 4.772 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.238 2.870 1.749 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.119 3.470 0.541 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.923 1.052 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.345 2.024 -1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.967 -1.170 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.388 -0.199 -2.244 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.201 -1.769 -1.791 1.00 0.00 H new ATOM 979 N PRO A 66 7.477 3.478 0.766 1.00 0.00 N ATOM 980 CA PRO A 66 8.762 2.817 0.620 1.00 0.00 C ATOM 981 C PRO A 66 8.683 1.358 1.073 1.00 0.00 C ATOM 982 O PRO A 66 7.877 1.015 1.937 1.00 0.00 O ATOM 983 CB PRO A 66 9.727 3.646 1.452 1.00 0.00 C ATOM 984 CG PRO A 66 8.865 4.462 2.401 1.00 0.00 C ATOM 985 CD PRO A 66 7.430 4.389 1.905 1.00 0.00 C ATOM 0 HA PRO A 66 9.093 2.766 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.416 3.006 2.003 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.331 4.295 0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.939 4.071 3.416 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.206 5.497 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.761 4.018 2.681 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.062 5.372 1.611 1.00 0.00 H new ATOM 993 N GLU A 67 9.531 0.537 0.470 1.00 0.00 N ATOM 994 CA GLU A 67 9.567 -0.877 0.801 1.00 0.00 C ATOM 995 C GLU A 67 10.178 -1.083 2.188 1.00 0.00 C ATOM 996 O GLU A 67 9.765 -1.976 2.926 1.00 0.00 O ATOM 997 CB GLU A 67 10.335 -1.669 -0.259 1.00 0.00 C ATOM 998 CG GLU A 67 11.628 -0.951 -0.649 1.00 0.00 C ATOM 999 CD GLU A 67 12.816 -1.917 -0.637 1.00 0.00 C ATOM 1000 OE1 GLU A 67 13.035 -2.559 -1.687 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.477 -1.990 0.421 1.00 0.00 O ATOM 0 H GLU A 67 10.198 0.825 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 67 8.544 -1.252 0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.568 -2.663 0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.709 -1.804 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.520 -0.513 -1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.815 -0.130 0.043 1.00 0.00 H new ATOM 1008 N ASP A 68 11.152 -0.240 2.501 1.00 0.00 N ATOM 1009 CA ASP A 68 11.824 -0.318 3.787 1.00 0.00 C ATOM 1010 C ASP A 68 10.779 -0.328 4.904 1.00 0.00 C ATOM 1011 O ASP A 68 11.023 -0.867 5.983 1.00 0.00 O ATOM 1012 CB ASP A 68 12.738 0.890 4.005 1.00 0.00 C ATOM 1013 CG ASP A 68 14.208 0.551 4.260 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.522 -0.659 4.246 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.984 1.509 4.463 1.00 0.00 O ATOM 0 H ASP A 68 11.491 0.500 1.886 1.00 0.00 H new ATOM 0 HA ASP A 68 12.422 -1.229 3.800 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.676 1.536 3.129 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.361 1.464 4.852 1.00 0.00 H new ATOM 1020 N PHE A 69 9.637 0.275 4.608 1.00 0.00 N ATOM 1021 CA PHE A 69 8.554 0.342 5.575 1.00 0.00 C ATOM 1022 C PHE A 69 7.467 -0.685 5.252 1.00 0.00 C ATOM 1023 O PHE A 69 6.320 -0.531 5.668 1.00 0.00 O ATOM 1024 CB PHE A 69 7.956 1.747 5.479 1.00 0.00 C ATOM 1025 CG PHE A 69 8.879 2.853 5.994 1.00 0.00 C ATOM 1026 CD1 PHE A 69 10.005 3.176 5.303 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.573 3.514 7.142 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.862 4.202 5.781 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.430 4.540 7.621 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.556 4.863 6.930 1.00 0.00 C ATOM 0 H PHE A 69 9.438 0.721 3.713 1.00 0.00 H new ATOM 0 HA PHE A 69 8.933 0.128 6.574 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.704 1.953 4.439 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.024 1.773 6.044 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.247 2.652 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.678 3.259 7.690 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.757 4.458 5.233 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.188 5.064 8.534 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.207 5.644 7.293 1.00 0.00 H new ATOM 1040 N ALA A 70 7.867 -1.711 4.515 1.00 0.00 N ATOM 1041 CA ALA A 70 6.941 -2.763 4.132 1.00 0.00 C ATOM 1042 C ALA A 70 7.722 -4.053 3.871 1.00 0.00 C ATOM 1043 O ALA A 70 8.951 -4.039 3.818 1.00 0.00 O ATOM 1044 CB ALA A 70 6.133 -2.314 2.913 1.00 0.00 C ATOM 0 H ALA A 70 8.820 -1.836 4.173 1.00 0.00 H new ATOM 0 HA ALA A 70 6.233 -2.963 4.936 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.438 -3.103 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.574 -1.411 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.810 -2.107 2.084 1.00 0.00 H new ATOM 1050 N ARG A 71 6.976 -5.137 3.715 1.00 0.00 N ATOM 1051 CA ARG A 71 7.583 -6.433 3.461 1.00 0.00 C ATOM 1052 C ARG A 71 6.800 -7.184 2.382 1.00 0.00 C ATOM 1053 O ARG A 71 5.661 -7.590 2.608 1.00 0.00 O ATOM 1054 CB ARG A 71 7.626 -7.280 4.734 1.00 0.00 C ATOM 1055 CG ARG A 71 8.837 -6.915 5.595 1.00 0.00 C ATOM 1056 CD ARG A 71 9.112 -7.998 6.641 1.00 0.00 C ATOM 1057 NE ARG A 71 8.236 -7.799 7.817 1.00 0.00 N ATOM 1058 CZ ARG A 71 8.493 -8.291 9.037 1.00 0.00 C ATOM 1059 NH1 ARG A 71 9.602 -9.013 9.248 1.00 0.00 N ATOM 1060 NH2 ARG A 71 7.641 -8.061 10.045 1.00 0.00 N ATOM 0 H ARG A 71 5.957 -5.145 3.760 1.00 0.00 H new ATOM 0 HA ARG A 71 8.603 -6.260 3.119 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.710 -7.130 5.306 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.668 -8.337 4.471 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.714 -6.786 4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.660 -5.961 6.092 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.938 -8.984 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.158 -7.963 6.946 1.00 0.00 H new ATOM 0 HE ARG A 71 7.383 -7.253 7.691 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.250 -9.188 8.480 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.798 -9.387 10.176 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.797 -7.512 9.884 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.836 -8.435 10.973 1.00 0.00 H new ATOM 1074 N PHE A 72 7.441 -7.345 1.234 1.00 0.00 N ATOM 1075 CA PHE A 72 6.818 -8.040 0.121 1.00 0.00 C ATOM 1076 C PHE A 72 6.295 -9.411 0.553 1.00 0.00 C ATOM 1077 O PHE A 72 7.065 -10.362 0.679 1.00 0.00 O ATOM 1078 CB PHE A 72 7.897 -8.233 -0.946 1.00 0.00 C ATOM 1079 CG PHE A 72 7.876 -7.174 -2.051 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.946 -7.243 -3.041 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.787 -6.165 -2.044 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.926 -6.261 -4.066 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.768 -5.183 -3.069 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.838 -5.252 -4.059 1.00 0.00 C ATOM 0 H PHE A 72 8.385 -7.006 1.051 1.00 0.00 H new ATOM 0 HA PHE A 72 5.974 -7.461 -0.253 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.875 -8.222 -0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.775 -9.217 -1.398 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.223 -8.045 -3.047 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.526 -6.110 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.187 -6.315 -4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.492 -4.381 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.824 -4.506 -4.840 1.00 0.00 H new