USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 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 56 THR OG1 : rot -56:sc= 1.07 USER MOD Set 1.2: A 71 ASN : amide:sc= 0.95 K(o=2,f=-4.2!) USER MOD Set 2.1: A 32 LYS NZ :NH3+ 135:sc= 1.74 (180deg=0.236) USER MOD Set 2.2: A 78 ASN : amide:sc= 0.333 K(o=2.1,f=-0.36!) USER MOD Set 3.1: A 27 GLN : amide:sc= 0.851 K(o=4.1,f=-5.4!) USER MOD Set 3.2: A 112 LYS NZ :NH3+ -166:sc= 3.27 (180deg=1.91) USER MOD Set 4.1: A 20 GLN : amide:sc= 0.715 K(o=1.6,f=-3) USER MOD Set 4.2: A 21 ASN : amide:sc= 0.836 K(o=1.6,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.07) USER MOD Single : A 25 GLN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 30 GLN : amide:sc=-0.00533 X(o=-0.0053,f=-0.0053) USER MOD Single : A 31 SER OG : rot 29:sc= 0.698 USER MOD Single : A 33 GLN : amide:sc= 0.783 K(o=0.78,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -179:sc= 1.21 USER MOD Single : A 41 THR OG1 : rot 2:sc= 1.03 USER MOD Single : A 43 SER OG : rot 100:sc= 0.0254 USER MOD Single : A 49 HIS : no HE2:sc= 0.897 K(o=0.9,f=-2.7!) USER MOD Single : A 51 GLN : amide:sc= 0.0309 X(o=0.031,f=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 0.913 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -82:sc= 1.02 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 87:sc= 0.532 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 0.979 -2.700 1.685 1.00 0.00 N ATOM 265 CA ILE A 18 0.139 -1.467 1.700 1.00 0.00 C ATOM 266 C ILE A 18 -0.256 -0.927 3.103 1.00 0.00 C ATOM 267 O ILE A 18 -0.028 0.259 3.360 1.00 0.00 O ATOM 268 CB ILE A 18 -1.026 -1.763 0.681 1.00 0.00 C ATOM 269 CG1 ILE A 18 -0.562 -1.497 -0.784 1.00 0.00 C ATOM 270 CG2 ILE A 18 -2.372 -1.075 0.921 1.00 0.00 C ATOM 271 CD1 ILE A 18 -0.357 -0.036 -1.183 1.00 0.00 C ATOM 0 HA ILE A 18 0.704 -0.592 1.377 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.232 -2.819 0.859 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.375 -2.029 -0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.298 -1.934 -1.459 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.076 -1.371 0.143 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.762 -1.369 1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.238 0.006 0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.035 0.015 -2.223 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.294 0.508 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.405 0.412 -0.545 1.00 0.00 H new ATOM 283 N LYS A 19 -0.815 -1.747 4.008 1.00 0.00 N ATOM 284 CA LYS A 19 -1.045 -1.323 5.416 1.00 0.00 C ATOM 285 C LYS A 19 -1.147 -2.526 6.401 1.00 0.00 C ATOM 286 O LYS A 19 -2.224 -2.845 6.909 1.00 0.00 O ATOM 287 CB LYS A 19 -2.192 -0.280 5.580 1.00 0.00 C ATOM 288 CG LYS A 19 -3.550 -0.642 4.966 1.00 0.00 C ATOM 289 CD LYS A 19 -4.627 0.415 5.247 1.00 0.00 C ATOM 290 CE LYS A 19 -6.096 0.036 4.951 1.00 0.00 C ATOM 291 NZ LYS A 19 -6.299 -0.915 3.822 1.00 0.00 N ATOM 0 H LYS A 19 -1.116 -2.699 3.802 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.144 -0.783 5.707 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.338 -0.101 6.645 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.861 0.661 5.141 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.437 -0.762 3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.878 -1.603 5.361 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.557 0.694 6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.385 1.304 4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.529 -0.399 5.852 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.653 0.949 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.316 -1.091 3.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.906 -0.507 2.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.816 -1.812 4.032 1.00 0.00 H new ATOM 305 N GLN A 20 0.001 -3.142 6.725 1.00 0.00 N ATOM 306 CA GLN A 20 0.170 -3.932 7.976 1.00 0.00 C ATOM 307 C GLN A 20 0.893 -3.050 9.030 1.00 0.00 C ATOM 308 O GLN A 20 0.223 -2.482 9.885 1.00 0.00 O ATOM 309 CB GLN A 20 0.810 -5.286 7.616 1.00 0.00 C ATOM 310 CG GLN A 20 0.797 -6.370 8.709 1.00 0.00 C ATOM 311 CD GLN A 20 1.867 -6.267 9.782 1.00 0.00 C ATOM 312 OE1 GLN A 20 1.634 -5.801 10.891 1.00 0.00 O ATOM 313 NE2 GLN A 20 3.076 -6.699 9.510 1.00 0.00 N ATOM 0 H GLN A 20 0.836 -3.113 6.140 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.769 -4.200 8.459 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.298 -5.682 6.739 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.846 -5.107 7.327 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.178 -6.350 9.197 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.892 -7.342 8.226 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.283 -7.089 8.591 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.808 -6.645 10.218 1.00 0.00 H new ATOM 322 N ASN A 21 2.222 -2.896 8.942 1.00 0.00 N ATOM 323 CA ASN A 21 3.004 -1.929 9.769 1.00 0.00 C ATOM 324 C ASN A 21 4.344 -1.672 8.960 1.00 0.00 C ATOM 325 O ASN A 21 5.434 -2.109 9.335 1.00 0.00 O ATOM 326 CB ASN A 21 3.320 -2.465 11.188 1.00 0.00 C ATOM 327 CG ASN A 21 2.211 -2.390 12.225 1.00 0.00 C ATOM 328 OD1 ASN A 21 1.904 -1.339 12.776 1.00 0.00 O ATOM 329 ND2 ASN A 21 1.591 -3.489 12.580 1.00 0.00 N ATOM 0 H ASN A 21 2.799 -3.435 8.296 1.00 0.00 H new ATOM 0 HA ASN A 21 2.428 -1.018 9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.624 -3.507 11.095 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.179 -1.915 11.573 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.870 -3.458 13.301 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.830 -4.375 12.135 1.00 0.00 H new ATOM 336 N ALA A 22 4.204 -0.997 7.813 1.00 0.00 N ATOM 337 CA ALA A 22 5.279 -0.878 6.794 1.00 0.00 C ATOM 338 C ALA A 22 5.202 0.508 6.105 1.00 0.00 C ATOM 339 O ALA A 22 6.118 1.313 6.274 1.00 0.00 O ATOM 340 CB ALA A 22 5.199 -2.063 5.820 1.00 0.00 C ATOM 0 H ALA A 22 3.344 -0.513 7.555 1.00 0.00 H new ATOM 0 HA ALA A 22 6.262 -0.929 7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.988 -1.974 5.073 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.324 -2.995 6.370 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.228 -2.061 5.324 1.00 0.00 H new ATOM 346 N VAL A 23 4.090 0.822 5.415 1.00 0.00 N ATOM 347 CA VAL A 23 3.802 2.212 4.942 1.00 0.00 C ATOM 348 C VAL A 23 3.509 3.224 6.103 1.00 0.00 C ATOM 349 O VAL A 23 3.909 4.380 5.975 1.00 0.00 O ATOM 350 CB VAL A 23 2.698 2.235 3.844 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.469 3.647 3.241 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.016 1.321 2.638 1.00 0.00 C ATOM 0 H VAL A 23 3.371 0.142 5.167 1.00 0.00 H new ATOM 0 HA VAL A 23 4.725 2.564 4.481 1.00 0.00 H new ATOM 0 HB VAL A 23 1.814 1.885 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.688 3.596 2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.164 4.335 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.394 4.003 2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.207 1.384 1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.948 1.643 2.173 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.118 0.291 2.979 1.00 0.00 H new ATOM 362 N GLU A 24 2.884 2.826 7.225 1.00 0.00 N ATOM 363 CA GLU A 24 2.906 3.663 8.468 1.00 0.00 C ATOM 364 C GLU A 24 4.316 3.728 9.154 1.00 0.00 C ATOM 365 O GLU A 24 4.805 4.822 9.454 1.00 0.00 O ATOM 366 CB GLU A 24 1.796 3.129 9.393 1.00 0.00 C ATOM 367 CG GLU A 24 1.222 4.108 10.434 1.00 0.00 C ATOM 368 CD GLU A 24 1.870 4.129 11.803 1.00 0.00 C ATOM 369 OE1 GLU A 24 1.575 3.225 12.616 1.00 0.00 O ATOM 370 OE2 GLU A 24 2.633 5.077 12.099 1.00 0.00 O ATOM 0 H GLU A 24 2.365 1.952 7.311 1.00 0.00 H new ATOM 0 HA GLU A 24 2.709 4.705 8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.974 2.778 8.769 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.186 2.261 9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.280 5.114 10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.165 3.878 10.565 1.00 0.00 H new ATOM 377 N GLN A 25 4.977 2.572 9.340 1.00 0.00 N ATOM 378 CA GLN A 25 6.328 2.483 9.952 1.00 0.00 C ATOM 379 C GLN A 25 7.505 3.185 9.210 1.00 0.00 C ATOM 380 O GLN A 25 8.412 3.653 9.904 1.00 0.00 O ATOM 381 CB GLN A 25 6.591 0.979 10.213 1.00 0.00 C ATOM 382 CG GLN A 25 7.866 0.599 10.992 1.00 0.00 C ATOM 383 CD GLN A 25 7.953 1.100 12.424 1.00 0.00 C ATOM 384 OE1 GLN A 25 7.492 0.466 13.365 1.00 0.00 O ATOM 385 NE2 GLN A 25 8.552 2.247 12.648 1.00 0.00 N ATOM 0 H GLN A 25 4.593 1.666 9.071 1.00 0.00 H new ATOM 0 HA GLN A 25 6.308 3.071 10.870 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.735 0.578 10.755 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.624 0.472 9.249 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.949 -0.488 11.004 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.728 0.978 10.444 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.939 2.781 11.870 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.631 2.604 13.600 1.00 0.00 H new ATOM 394 N LEU A 26 7.501 3.295 7.866 1.00 0.00 N ATOM 395 CA LEU A 26 8.551 4.040 7.109 1.00 0.00 C ATOM 396 C LEU A 26 8.872 5.496 7.549 1.00 0.00 C ATOM 397 O LEU A 26 10.046 5.870 7.547 1.00 0.00 O ATOM 398 CB LEU A 26 8.378 3.857 5.576 1.00 0.00 C ATOM 399 CG LEU A 26 7.130 4.397 4.851 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.124 5.902 4.568 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.997 3.695 3.478 1.00 0.00 C ATOM 0 H LEU A 26 6.783 2.879 7.273 1.00 0.00 H new ATOM 0 HA LEU A 26 9.478 3.552 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.247 4.312 5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.427 2.787 5.374 1.00 0.00 H new ATOM 0 HG LEU A 26 6.308 4.193 5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.201 6.172 4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.191 6.449 5.508 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.976 6.157 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.116 4.073 2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.885 3.897 2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.897 2.620 3.627 1.00 0.00 H new ATOM 413 N GLN A 27 7.850 6.283 7.945 1.00 0.00 N ATOM 414 CA GLN A 27 8.019 7.637 8.557 1.00 0.00 C ATOM 415 C GLN A 27 8.974 8.646 7.839 1.00 0.00 C ATOM 416 O GLN A 27 9.801 9.312 8.464 1.00 0.00 O ATOM 417 CB GLN A 27 8.253 7.403 10.068 1.00 0.00 C ATOM 418 CG GLN A 27 7.917 8.600 10.978 1.00 0.00 C ATOM 419 CD GLN A 27 7.671 8.167 12.418 1.00 0.00 C ATOM 420 OE1 GLN A 27 6.542 7.904 12.826 1.00 0.00 O ATOM 421 NE2 GLN A 27 8.705 8.015 13.206 1.00 0.00 N ATOM 0 H GLN A 27 6.873 6.004 7.853 1.00 0.00 H new ATOM 0 HA GLN A 27 7.107 8.215 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.655 6.548 10.384 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.298 7.134 10.220 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.736 9.319 10.950 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.032 9.110 10.596 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.642 8.234 12.866 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.574 7.678 14.160 1.00 0.00 H new ATOM 430 N VAL A 28 8.811 8.761 6.513 1.00 0.00 N ATOM 431 CA VAL A 28 9.711 9.555 5.639 1.00 0.00 C ATOM 432 C VAL A 28 9.022 10.924 5.334 1.00 0.00 C ATOM 433 O VAL A 28 7.947 10.961 4.729 1.00 0.00 O ATOM 434 CB VAL A 28 10.015 8.757 4.317 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.917 9.552 3.346 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.722 7.404 4.560 1.00 0.00 C ATOM 0 H VAL A 28 8.051 8.307 6.007 1.00 0.00 H new ATOM 0 HA VAL A 28 10.663 9.740 6.137 1.00 0.00 H new ATOM 0 HB VAL A 28 9.028 8.587 3.887 1.00 0.00 H new ATOM 0 HG11 VAL A 28 11.098 8.959 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.423 10.484 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.867 9.774 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.900 6.910 3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.674 7.576 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.091 6.771 5.184 1.00 0.00 H new ATOM 446 N GLY A 29 9.686 12.029 5.700 1.00 0.00 N ATOM 447 CA GLY A 29 9.261 13.391 5.294 1.00 0.00 C ATOM 448 C GLY A 29 10.219 14.059 4.296 1.00 0.00 C ATOM 449 O GLY A 29 10.798 15.098 4.611 1.00 0.00 O ATOM 0 H GLY A 29 10.525 12.014 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.267 13.336 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.179 14.018 6.182 1.00 0.00 H new ATOM 453 N GLN A 30 10.381 13.455 3.108 1.00 0.00 N ATOM 454 CA GLN A 30 11.525 13.767 2.204 1.00 0.00 C ATOM 455 C GLN A 30 11.101 14.044 0.739 1.00 0.00 C ATOM 456 O GLN A 30 11.504 15.088 0.226 1.00 0.00 O ATOM 457 CB GLN A 30 12.577 12.637 2.353 1.00 0.00 C ATOM 458 CG GLN A 30 13.991 12.928 1.811 1.00 0.00 C ATOM 459 CD GLN A 30 14.187 12.733 0.315 1.00 0.00 C ATOM 460 OE1 GLN A 30 14.003 11.649 -0.230 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.579 13.756 -0.406 1.00 0.00 N ATOM 0 H GLN A 30 9.742 12.749 2.742 1.00 0.00 H new ATOM 0 HA GLN A 30 11.976 14.712 2.506 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.663 12.390 3.411 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.196 11.749 1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.249 13.958 2.060 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.699 12.287 2.336 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.735 14.662 0.036 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.728 13.646 -1.409 1.00 0.00 H new ATOM 470 N SER A 31 10.368 13.138 0.055 1.00 0.00 N ATOM 471 CA SER A 31 10.122 13.266 -1.409 1.00 0.00 C ATOM 472 C SER A 31 8.753 12.695 -1.891 1.00 0.00 C ATOM 473 O SER A 31 8.316 11.613 -1.483 1.00 0.00 O ATOM 474 CB SER A 31 11.309 12.625 -2.167 1.00 0.00 C ATOM 475 OG SER A 31 11.147 12.708 -3.584 1.00 0.00 O ATOM 0 H SER A 31 9.938 12.317 0.482 1.00 0.00 H new ATOM 0 HA SER A 31 10.055 14.330 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.235 13.123 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.404 11.580 -1.874 1.00 0.00 H new ATOM 0 HG SER A 31 10.610 13.497 -3.806 1.00 0.00 H new ATOM 481 N LYS A 32 8.125 13.426 -2.831 1.00 0.00 N ATOM 482 CA LYS A 32 6.851 13.019 -3.485 1.00 0.00 C ATOM 483 C LYS A 32 6.922 11.824 -4.477 1.00 0.00 C ATOM 484 O LYS A 32 6.078 10.923 -4.467 1.00 0.00 O ATOM 485 CB LYS A 32 6.138 14.261 -4.083 1.00 0.00 C ATOM 486 CG LYS A 32 6.511 14.787 -5.486 1.00 0.00 C ATOM 487 CD LYS A 32 7.899 15.398 -5.617 1.00 0.00 C ATOM 488 CE LYS A 32 8.135 16.328 -6.817 1.00 0.00 C ATOM 489 NZ LYS A 32 7.468 17.636 -6.584 1.00 0.00 N ATOM 0 H LYS A 32 8.483 14.321 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 32 6.244 12.600 -2.683 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.070 14.042 -4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.286 15.083 -3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.429 13.964 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.776 15.536 -5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.111 15.958 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.624 14.586 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.204 16.477 -6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.746 15.869 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.115 18.407 -6.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.607 17.695 -7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.214 17.722 -5.579 1.00 0.00 H new ATOM 503 N GLN A 33 7.911 11.891 -5.362 1.00 0.00 N ATOM 504 CA GLN A 33 8.310 10.802 -6.274 1.00 0.00 C ATOM 505 C GLN A 33 8.901 9.524 -5.624 1.00 0.00 C ATOM 506 O GLN A 33 8.648 8.442 -6.150 1.00 0.00 O ATOM 507 CB GLN A 33 9.205 11.412 -7.385 1.00 0.00 C ATOM 508 CG GLN A 33 10.553 12.033 -6.941 1.00 0.00 C ATOM 509 CD GLN A 33 11.271 12.766 -8.069 1.00 0.00 C ATOM 510 OE1 GLN A 33 11.603 12.194 -9.101 1.00 0.00 O ATOM 511 NE2 GLN A 33 11.553 14.042 -7.938 1.00 0.00 N ATOM 0 H GLN A 33 8.482 12.729 -5.475 1.00 0.00 H new ATOM 0 HA GLN A 33 7.395 10.393 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.416 10.632 -8.116 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.630 12.183 -7.898 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.374 12.727 -6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.201 11.245 -6.557 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.286 14.539 -7.088 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.039 14.536 -8.686 1.00 0.00 H new ATOM 520 N GLN A 34 9.606 9.617 -4.483 1.00 0.00 N ATOM 521 CA GLN A 34 10.065 8.419 -3.733 1.00 0.00 C ATOM 522 C GLN A 34 8.906 7.592 -3.098 1.00 0.00 C ATOM 523 O GLN A 34 8.840 6.389 -3.355 1.00 0.00 O ATOM 524 CB GLN A 34 11.114 8.795 -2.659 1.00 0.00 C ATOM 525 CG GLN A 34 12.464 9.322 -3.190 1.00 0.00 C ATOM 526 CD GLN A 34 13.329 8.291 -3.898 1.00 0.00 C ATOM 527 OE1 GLN A 34 13.167 8.010 -5.080 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.274 7.690 -3.218 1.00 0.00 N ATOM 0 H GLN A 34 9.873 10.504 -4.055 1.00 0.00 H new ATOM 0 HA GLN A 34 10.532 7.773 -4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.681 9.553 -2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.306 7.916 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.269 10.144 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.029 9.734 -2.354 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.417 7.917 -2.234 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.867 6.995 -3.673 1.00 0.00 H new ATOM 537 N VAL A 35 7.983 8.204 -2.327 1.00 0.00 N ATOM 538 CA VAL A 35 6.805 7.460 -1.777 1.00 0.00 C ATOM 539 C VAL A 35 5.822 6.886 -2.844 1.00 0.00 C ATOM 540 O VAL A 35 5.390 5.740 -2.695 1.00 0.00 O ATOM 541 CB VAL A 35 6.146 8.279 -0.628 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.287 9.466 -1.082 1.00 0.00 C ATOM 543 CG2 VAL A 35 5.294 7.386 0.300 1.00 0.00 C ATOM 0 H VAL A 35 8.018 9.190 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 35 7.181 6.537 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 35 7.001 8.689 -0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.873 9.971 -0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.903 10.165 -1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.474 9.107 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.852 7.997 1.088 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.501 6.912 -0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.926 6.619 0.747 1.00 0.00 H new ATOM 553 N SER A 36 5.520 7.633 -3.924 1.00 0.00 N ATOM 554 CA SER A 36 4.727 7.089 -5.057 1.00 0.00 C ATOM 555 C SER A 36 5.441 6.010 -5.923 1.00 0.00 C ATOM 556 O SER A 36 4.793 5.024 -6.271 1.00 0.00 O ATOM 557 CB SER A 36 4.189 8.256 -5.911 1.00 0.00 C ATOM 558 OG SER A 36 2.941 7.893 -6.492 1.00 0.00 O ATOM 0 H SER A 36 5.807 8.605 -4.041 1.00 0.00 H new ATOM 0 HA SER A 36 3.900 6.537 -4.611 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.068 9.145 -5.293 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.905 8.507 -6.693 1.00 0.00 H new ATOM 0 HG SER A 36 2.613 8.629 -7.049 1.00 0.00 H new ATOM 564 N ALA A 37 6.749 6.130 -6.217 1.00 0.00 N ATOM 565 CA ALA A 37 7.535 5.018 -6.815 1.00 0.00 C ATOM 566 C ALA A 37 7.675 3.726 -5.948 1.00 0.00 C ATOM 567 O ALA A 37 7.518 2.631 -6.491 1.00 0.00 O ATOM 568 CB ALA A 37 8.912 5.570 -7.208 1.00 0.00 C ATOM 0 H ALA A 37 7.289 6.980 -6.053 1.00 0.00 H new ATOM 0 HA ALA A 37 6.969 4.672 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.511 4.774 -7.650 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.788 6.375 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.417 5.954 -6.321 1.00 0.00 H new ATOM 574 N LEU A 38 7.922 3.849 -4.632 1.00 0.00 N ATOM 575 CA LEU A 38 7.917 2.690 -3.695 1.00 0.00 C ATOM 576 C LEU A 38 6.530 1.984 -3.510 1.00 0.00 C ATOM 577 O LEU A 38 6.485 0.753 -3.516 1.00 0.00 O ATOM 578 CB LEU A 38 8.527 3.109 -2.330 1.00 0.00 C ATOM 579 CG LEU A 38 10.054 2.911 -2.177 1.00 0.00 C ATOM 580 CD1 LEU A 38 10.909 3.761 -3.119 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.456 3.238 -0.724 1.00 0.00 C ATOM 0 H LEU A 38 8.130 4.741 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 38 8.540 1.929 -4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.299 4.161 -2.161 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.027 2.544 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 38 10.248 1.871 -2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.964 3.555 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.663 3.518 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.710 4.817 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.531 3.102 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.194 4.272 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.928 2.572 -0.042 1.00 0.00 H new ATOM 593 N LEU A 39 5.425 2.732 -3.392 1.00 0.00 N ATOM 594 CA LEU A 39 4.056 2.170 -3.541 1.00 0.00 C ATOM 595 C LEU A 39 3.703 1.604 -4.962 1.00 0.00 C ATOM 596 O LEU A 39 3.073 0.549 -5.046 1.00 0.00 O ATOM 597 CB LEU A 39 3.049 3.276 -3.109 1.00 0.00 C ATOM 598 CG LEU A 39 2.975 3.495 -1.577 1.00 0.00 C ATOM 599 CD1 LEU A 39 2.339 4.851 -1.251 1.00 0.00 C ATOM 600 CD2 LEU A 39 2.162 2.384 -0.898 1.00 0.00 C ATOM 0 H LEU A 39 5.442 3.732 -3.193 1.00 0.00 H new ATOM 0 HA LEU A 39 3.997 1.289 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.329 4.215 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.057 3.014 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 39 3.996 3.473 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.297 4.983 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.937 5.649 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.329 4.887 -1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.127 2.564 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.148 2.379 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.633 1.420 -1.089 1.00 0.00 H new ATOM 612 N GLY A 40 4.068 2.315 -6.035 1.00 0.00 N ATOM 613 CA GLY A 40 3.789 1.911 -7.432 1.00 0.00 C ATOM 614 C GLY A 40 2.718 2.769 -8.127 1.00 0.00 C ATOM 615 O GLY A 40 1.590 2.319 -8.339 1.00 0.00 O ATOM 0 H GLY A 40 4.572 3.199 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.713 1.965 -8.007 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.468 0.869 -7.441 1.00 0.00 H new ATOM 619 N THR A 41 3.059 4.025 -8.428 1.00 0.00 N ATOM 620 CA THR A 41 2.108 5.079 -8.914 1.00 0.00 C ATOM 621 C THR A 41 2.963 6.323 -9.377 1.00 0.00 C ATOM 622 O THR A 41 4.007 6.599 -8.773 1.00 0.00 O ATOM 623 CB THR A 41 1.091 5.439 -7.789 1.00 0.00 C ATOM 624 OG1 THR A 41 0.236 4.321 -7.577 1.00 0.00 O ATOM 625 CG2 THR A 41 0.136 6.600 -8.001 1.00 0.00 C ATOM 0 H THR A 41 4.018 4.364 -8.346 1.00 0.00 H new ATOM 0 HA THR A 41 1.520 4.723 -9.760 1.00 0.00 H new ATOM 0 HB THR A 41 1.753 5.728 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.511 3.584 -8.161 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.500 6.713 -7.123 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.706 7.516 -8.156 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.484 6.406 -8.876 1.00 0.00 H new ATOM 633 N PRO A 42 2.563 7.140 -10.387 1.00 0.00 N ATOM 634 CA PRO A 42 3.212 8.475 -10.646 1.00 0.00 C ATOM 635 C PRO A 42 3.029 9.523 -9.510 1.00 0.00 C ATOM 636 O PRO A 42 2.318 9.303 -8.524 1.00 0.00 O ATOM 637 CB PRO A 42 2.567 8.876 -12.000 1.00 0.00 C ATOM 638 CG PRO A 42 1.185 8.186 -12.002 1.00 0.00 C ATOM 639 CD PRO A 42 1.445 6.843 -11.303 1.00 0.00 C ATOM 0 HA PRO A 42 4.300 8.423 -10.679 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.468 9.958 -12.085 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.176 8.544 -12.841 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.442 8.778 -11.468 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.810 8.044 -13.016 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.565 6.495 -10.762 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.708 6.063 -12.018 1.00 0.00 H new ATOM 647 N SER A 43 3.736 10.654 -9.616 1.00 0.00 N ATOM 648 CA SER A 43 3.629 11.760 -8.626 1.00 0.00 C ATOM 649 C SER A 43 3.417 13.137 -9.325 1.00 0.00 C ATOM 650 O SER A 43 2.898 13.211 -10.444 1.00 0.00 O ATOM 651 CB SER A 43 4.835 11.637 -7.667 1.00 0.00 C ATOM 652 OG SER A 43 4.553 12.275 -6.423 1.00 0.00 O ATOM 0 H SER A 43 4.392 10.838 -10.375 1.00 0.00 H new ATOM 0 HA SER A 43 2.734 11.684 -8.009 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.067 10.585 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.716 12.089 -8.122 1.00 0.00 H new ATOM 0 HG SER A 43 4.295 11.600 -5.760 1.00 0.00 H new ATOM 658 N ILE A 44 3.751 14.233 -8.633 1.00 0.00 N ATOM 659 CA ILE A 44 3.400 15.617 -9.066 1.00 0.00 C ATOM 660 C ILE A 44 4.737 16.412 -9.277 1.00 0.00 C ATOM 661 O ILE A 44 5.230 17.021 -8.318 1.00 0.00 O ATOM 662 CB ILE A 44 2.387 16.285 -8.063 1.00 0.00 C ATOM 663 CG1 ILE A 44 1.037 15.499 -8.011 1.00 0.00 C ATOM 664 CG2 ILE A 44 2.066 17.746 -8.470 1.00 0.00 C ATOM 665 CD1 ILE A 44 0.146 15.865 -6.828 1.00 0.00 C ATOM 0 H ILE A 44 4.272 14.200 -7.756 1.00 0.00 H new ATOM 0 HA ILE A 44 2.868 15.613 -10.017 1.00 0.00 H new ATOM 0 HB ILE A 44 2.869 16.268 -7.086 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.488 15.681 -8.935 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.252 14.431 -7.973 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.364 18.177 -7.756 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.985 18.333 -8.474 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.623 17.757 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.770 15.275 -6.866 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.673 15.657 -5.897 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.103 16.925 -6.874 1.00 0.00 H new ATOM 677 N PRO A 45 5.340 16.463 -10.498 1.00 0.00 N ATOM 678 CA PRO A 45 6.582 17.265 -10.756 1.00 0.00 C ATOM 679 C PRO A 45 6.338 18.743 -11.177 1.00 0.00 C ATOM 680 O PRO A 45 6.748 19.186 -12.253 1.00 0.00 O ATOM 681 CB PRO A 45 7.270 16.385 -11.837 1.00 0.00 C ATOM 682 CG PRO A 45 6.093 15.820 -12.668 1.00 0.00 C ATOM 683 CD PRO A 45 5.012 15.543 -11.612 1.00 0.00 C ATOM 0 HA PRO A 45 7.189 17.434 -9.866 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.949 16.972 -12.455 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.859 15.587 -11.386 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.750 16.535 -13.416 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.376 14.912 -13.201 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.014 15.735 -12.005 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.031 14.503 -11.287 1.00 0.00 H new ATOM 691 N ASP A 46 5.742 19.519 -10.262 1.00 0.00 N ATOM 692 CA ASP A 46 5.718 20.998 -10.348 1.00 0.00 C ATOM 693 C ASP A 46 6.960 21.584 -9.597 1.00 0.00 C ATOM 694 O ASP A 46 7.072 21.361 -8.385 1.00 0.00 O ATOM 695 CB ASP A 46 4.365 21.526 -9.812 1.00 0.00 C ATOM 696 CG ASP A 46 4.255 23.051 -9.715 1.00 0.00 C ATOM 697 OD1 ASP A 46 4.793 23.763 -10.591 1.00 0.00 O ATOM 698 OD2 ASP A 46 3.685 23.551 -8.722 1.00 0.00 O ATOM 0 H ASP A 46 5.263 19.148 -9.442 1.00 0.00 H new ATOM 0 HA ASP A 46 5.793 21.329 -11.384 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.568 21.160 -10.459 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.193 21.101 -8.823 1.00 0.00 H new ATOM 703 N PRO A 47 7.870 22.372 -10.223 1.00 0.00 N ATOM 704 CA PRO A 47 8.874 23.183 -9.469 1.00 0.00 C ATOM 705 C PRO A 47 8.372 24.449 -8.713 1.00 0.00 C ATOM 706 O PRO A 47 9.152 24.989 -7.926 1.00 0.00 O ATOM 707 CB PRO A 47 9.889 23.517 -10.594 1.00 0.00 C ATOM 708 CG PRO A 47 9.018 23.659 -11.865 1.00 0.00 C ATOM 709 CD PRO A 47 7.917 22.598 -11.684 1.00 0.00 C ATOM 0 HA PRO A 47 9.263 22.627 -8.616 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.432 24.437 -10.379 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.632 22.727 -10.707 1.00 0.00 H new ATOM 0 HG2 PRO A 47 8.597 24.661 -11.950 1.00 0.00 H new ATOM 0 HG3 PRO A 47 9.600 23.480 -12.769 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.958 22.950 -12.064 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.155 21.680 -12.222 1.00 0.00 H new ATOM 717 N PHE A 48 7.114 24.900 -8.887 1.00 0.00 N ATOM 718 CA PHE A 48 6.532 25.994 -8.067 1.00 0.00 C ATOM 719 C PHE A 48 6.084 25.497 -6.663 1.00 0.00 C ATOM 720 O PHE A 48 6.776 25.792 -5.685 1.00 0.00 O ATOM 721 CB PHE A 48 5.448 26.686 -8.929 1.00 0.00 C ATOM 722 CG PHE A 48 4.851 27.958 -8.310 1.00 0.00 C ATOM 723 CD1 PHE A 48 5.524 29.187 -8.395 1.00 0.00 C ATOM 724 CD2 PHE A 48 3.623 27.907 -7.632 1.00 0.00 C ATOM 725 CE1 PHE A 48 4.985 30.334 -7.809 1.00 0.00 C ATOM 726 CE2 PHE A 48 3.086 29.053 -7.044 1.00 0.00 C ATOM 727 CZ PHE A 48 3.768 30.265 -7.134 1.00 0.00 C ATOM 0 H PHE A 48 6.476 24.526 -9.589 1.00 0.00 H new ATOM 0 HA PHE A 48 7.274 26.751 -7.811 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.880 26.938 -9.898 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.642 25.976 -9.114 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.467 29.246 -8.918 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.088 26.971 -7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.511 31.275 -7.879 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.143 29.001 -6.520 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.352 31.152 -6.680 1.00 0.00 H new ATOM 737 N HIS A 49 4.959 24.769 -6.535 1.00 0.00 N ATOM 738 CA HIS A 49 4.444 24.326 -5.207 1.00 0.00 C ATOM 739 C HIS A 49 3.645 23.001 -5.364 1.00 0.00 C ATOM 740 O HIS A 49 2.408 22.983 -5.323 1.00 0.00 O ATOM 741 CB HIS A 49 3.640 25.486 -4.581 1.00 0.00 C ATOM 742 CG HIS A 49 3.381 25.444 -3.074 1.00 0.00 C ATOM 743 ND1 HIS A 49 3.618 24.399 -2.198 1.00 0.00 N ATOM 744 CD2 HIS A 49 2.857 26.529 -2.360 1.00 0.00 C ATOM 745 CE1 HIS A 49 3.197 24.956 -1.024 1.00 0.00 C ATOM 746 NE2 HIS A 49 2.711 26.237 -1.017 1.00 0.00 N ATOM 0 H HIS A 49 4.386 24.472 -7.325 1.00 0.00 H new ATOM 0 HA HIS A 49 5.256 24.095 -4.517 1.00 0.00 H new ATOM 0 HB2 HIS A 49 4.164 26.415 -4.805 1.00 0.00 H new ATOM 0 HB3 HIS A 49 2.675 25.535 -5.085 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.001 23.471 -2.379 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.598 27.479 -2.805 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.247 24.389 -0.106 1.00 0.00 H new ATOM 754 N ALA A 50 4.378 21.883 -5.517 1.00 0.00 N ATOM 755 CA ALA A 50 3.762 20.557 -5.764 1.00 0.00 C ATOM 756 C ALA A 50 3.115 19.910 -4.510 1.00 0.00 C ATOM 757 O ALA A 50 3.757 19.245 -3.691 1.00 0.00 O ATOM 758 CB ALA A 50 4.841 19.647 -6.346 1.00 0.00 C ATOM 0 H ALA A 50 5.397 21.867 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 50 2.935 20.696 -6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.419 18.661 -6.540 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.212 20.073 -7.278 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.663 19.557 -5.636 1.00 0.00 H new ATOM 764 N GLN A 51 1.806 20.132 -4.415 1.00 0.00 N ATOM 765 CA GLN A 51 1.007 19.755 -3.222 1.00 0.00 C ATOM 766 C GLN A 51 0.393 18.327 -3.358 1.00 0.00 C ATOM 767 O GLN A 51 0.941 17.464 -4.046 1.00 0.00 O ATOM 768 CB GLN A 51 0.042 20.943 -2.953 1.00 0.00 C ATOM 769 CG GLN A 51 0.777 22.158 -2.327 1.00 0.00 C ATOM 770 CD GLN A 51 -0.030 23.442 -2.345 1.00 0.00 C ATOM 771 OE1 GLN A 51 -0.728 23.788 -1.395 1.00 0.00 O ATOM 772 NE2 GLN A 51 0.040 24.194 -3.419 1.00 0.00 N ATOM 0 H GLN A 51 1.259 20.576 -5.153 1.00 0.00 H new ATOM 0 HA GLN A 51 1.605 19.625 -2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.429 21.246 -3.888 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.756 20.618 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.039 21.920 -1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 51 1.712 22.321 -2.864 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.620 23.905 -4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.486 25.067 -3.466 1.00 0.00 H new ATOM 781 N ARG A 52 -0.677 18.041 -2.610 1.00 0.00 N ATOM 782 CA ARG A 52 -1.096 16.655 -2.270 1.00 0.00 C ATOM 783 C ARG A 52 -1.417 15.661 -3.430 1.00 0.00 C ATOM 784 O ARG A 52 -1.930 16.043 -4.484 1.00 0.00 O ATOM 785 CB ARG A 52 -2.255 16.788 -1.241 1.00 0.00 C ATOM 786 CG ARG A 52 -3.699 17.011 -1.710 1.00 0.00 C ATOM 787 CD ARG A 52 -4.080 18.340 -2.366 1.00 0.00 C ATOM 788 NE ARG A 52 -3.735 18.367 -3.811 1.00 0.00 N ATOM 789 CZ ARG A 52 -4.479 17.874 -4.802 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.703 17.434 -4.658 1.00 0.00 N ATOM 791 NH2 ARG A 52 -3.945 17.810 -5.985 1.00 0.00 N ATOM 0 H ARG A 52 -1.286 18.758 -2.216 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.217 16.155 -1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.251 15.882 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.002 17.616 -0.578 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.939 16.217 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.348 16.875 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.150 18.510 -2.246 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.568 19.156 -1.856 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.849 18.802 -4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.148 17.455 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.212 17.070 -5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.988 18.131 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.483 17.439 -6.768 1.00 0.00 H new ATOM 805 N TRP A 53 -1.180 14.367 -3.182 1.00 0.00 N ATOM 806 CA TRP A 53 -1.803 13.259 -3.976 1.00 0.00 C ATOM 807 C TRP A 53 -3.085 12.845 -3.210 1.00 0.00 C ATOM 808 O TRP A 53 -3.020 12.011 -2.310 1.00 0.00 O ATOM 809 CB TRP A 53 -0.709 12.187 -4.132 1.00 0.00 C ATOM 810 CG TRP A 53 -1.031 10.701 -4.513 1.00 0.00 C ATOM 811 CD1 TRP A 53 -2.223 10.114 -5.045 1.00 0.00 C ATOM 812 CD2 TRP A 53 -0.196 9.602 -4.272 1.00 0.00 C ATOM 813 NE1 TRP A 53 -2.156 8.708 -5.104 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.902 8.412 -4.609 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.123 9.513 -3.715 1.00 0.00 C ATOM 816 CZ2 TRP A 53 -0.298 7.139 -4.373 1.00 0.00 C ATOM 817 CZ3 TRP A 53 1.676 8.259 -3.490 1.00 0.00 C ATOM 818 CH2 TRP A 53 0.981 7.086 -3.829 1.00 0.00 C ATOM 0 H TRP A 53 -0.561 14.043 -2.438 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.130 13.504 -4.986 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.015 12.558 -4.886 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.167 12.156 -3.187 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.081 10.687 -5.366 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.869 8.059 -5.436 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.678 10.408 -3.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.828 6.229 -4.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.658 8.184 -3.046 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.448 6.126 -3.664 1.00 0.00 H new ATOM 829 N ASP A 54 -4.226 13.457 -3.558 1.00 0.00 N ATOM 830 CA ASP A 54 -5.560 13.082 -3.003 1.00 0.00 C ATOM 831 C ASP A 54 -6.435 12.462 -4.133 1.00 0.00 C ATOM 832 O ASP A 54 -7.328 13.113 -4.685 1.00 0.00 O ATOM 833 CB ASP A 54 -6.145 14.356 -2.364 1.00 0.00 C ATOM 834 CG ASP A 54 -7.454 14.184 -1.608 1.00 0.00 C ATOM 835 OD1 ASP A 54 -7.706 13.084 -1.065 1.00 0.00 O ATOM 836 OD2 ASP A 54 -8.208 15.174 -1.508 1.00 0.00 O ATOM 0 H ASP A 54 -4.264 14.225 -4.229 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.506 12.313 -2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.404 14.767 -1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.297 15.096 -3.150 1.00 0.00 H new ATOM 841 N TYR A 55 -6.113 11.217 -4.525 1.00 0.00 N ATOM 842 CA TYR A 55 -6.691 10.595 -5.741 1.00 0.00 C ATOM 843 C TYR A 55 -6.864 9.053 -5.550 1.00 0.00 C ATOM 844 O TYR A 55 -6.028 8.378 -4.935 1.00 0.00 O ATOM 845 CB TYR A 55 -5.773 10.839 -6.984 1.00 0.00 C ATOM 846 CG TYR A 55 -5.615 12.311 -7.397 1.00 0.00 C ATOM 847 CD1 TYR A 55 -6.659 13.000 -8.031 1.00 0.00 C ATOM 848 CD2 TYR A 55 -4.468 13.025 -7.025 1.00 0.00 C ATOM 849 CE1 TYR A 55 -6.574 14.379 -8.246 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.391 14.405 -7.220 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.445 15.083 -7.828 1.00 0.00 C ATOM 852 OH TYR A 55 -5.392 16.435 -7.998 1.00 0.00 O ATOM 0 H TYR A 55 -5.458 10.618 -4.022 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.664 11.057 -5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.785 10.429 -6.773 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.176 10.282 -7.829 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -7.536 12.461 -8.356 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.634 12.501 -6.582 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.383 14.899 -8.736 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.514 14.947 -6.899 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.298 16.806 -7.956 1.00 0.00 H new ATOM 862 N THR A 56 -7.907 8.494 -6.183 1.00 0.00 N ATOM 863 CA THR A 56 -8.038 7.021 -6.364 1.00 0.00 C ATOM 864 C THR A 56 -7.095 6.548 -7.522 1.00 0.00 C ATOM 865 O THR A 56 -7.462 6.557 -8.701 1.00 0.00 O ATOM 866 CB THR A 56 -9.528 6.648 -6.646 1.00 0.00 C ATOM 867 OG1 THR A 56 -10.392 7.149 -5.630 1.00 0.00 O ATOM 868 CG2 THR A 56 -9.773 5.139 -6.704 1.00 0.00 C ATOM 0 H THR A 56 -8.677 9.031 -6.582 1.00 0.00 H new ATOM 0 HA THR A 56 -7.736 6.509 -5.451 1.00 0.00 H new ATOM 0 HB THR A 56 -9.741 7.097 -7.616 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.092 6.823 -4.756 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.828 4.949 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.169 4.703 -7.500 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.497 4.689 -5.751 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.380 2.019 -4.898 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.683 3.003 -4.041 1.00 0.00 C ATOM 1097 C LYS A 70 -5.509 4.323 -3.881 1.00 0.00 C ATOM 1098 O LYS A 70 -5.173 5.376 -4.432 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.286 3.290 -4.647 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.265 2.140 -4.545 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.016 2.509 -5.361 1.00 0.00 C ATOM 1102 CE LYS A 70 0.144 1.516 -5.282 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.167 0.229 -5.945 1.00 0.00 N ATOM 0 HA LYS A 70 -4.571 2.584 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.412 3.547 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.869 4.167 -4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.997 1.966 -3.503 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.701 1.214 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.306 2.618 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.660 3.483 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.027 1.956 -5.745 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.391 1.332 -4.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.650 -0.409 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.993 -0.206 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.376 0.398 -6.950 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.527 4.282 -3.012 1.00 0.00 N ATOM 1118 CA ASN A 71 -7.077 5.511 -2.372 1.00 0.00 C ATOM 1119 C ASN A 71 -6.113 5.985 -1.207 1.00 0.00 C ATOM 1120 O ASN A 71 -6.278 5.612 -0.042 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.482 5.248 -1.772 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.602 4.976 -2.747 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.948 5.808 -3.577 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -10.247 3.836 -2.661 1.00 0.00 N ATOM 0 H ASN A 71 -6.993 3.420 -2.729 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.156 6.281 -3.140 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.408 4.397 -1.095 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.760 6.112 -1.169 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -11.032 3.646 -3.284 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.963 3.140 -1.972 1.00 0.00 H new ATOM 1131 N PHE A 72 -5.083 6.754 -1.565 1.00 0.00 N ATOM 1132 CA PHE A 72 -4.034 7.195 -0.603 1.00 0.00 C ATOM 1133 C PHE A 72 -3.935 8.735 -0.649 1.00 0.00 C ATOM 1134 O PHE A 72 -3.324 9.293 -1.566 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.721 6.472 -0.986 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.552 6.653 0.000 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.566 6.038 1.262 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.404 7.358 -0.385 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.445 6.087 2.094 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.714 7.417 0.452 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.693 6.775 1.686 1.00 0.00 C ATOM 0 H PHE A 72 -4.940 7.093 -2.516 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.268 6.933 0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.929 5.407 -1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.404 6.827 -1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.454 5.521 1.594 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.383 7.862 -1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.462 5.591 3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.594 7.961 0.141 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.561 6.811 2.328 1.00 0.00 H new ATOM 1151 N THR A 73 -4.526 9.410 0.347 1.00 0.00 N ATOM 1152 CA THR A 73 -4.474 10.893 0.443 1.00 0.00 C ATOM 1153 C THR A 73 -3.199 11.315 1.214 1.00 0.00 C ATOM 1154 O THR A 73 -3.165 11.278 2.445 1.00 0.00 O ATOM 1155 CB THR A 73 -5.795 11.437 1.045 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.868 11.158 0.154 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.783 12.951 1.222 1.00 0.00 C ATOM 0 H THR A 73 -5.047 8.962 1.101 1.00 0.00 H new ATOM 0 HA THR A 73 -4.397 11.343 -0.547 1.00 0.00 H new ATOM 0 HB THR A 73 -5.909 10.955 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.896 11.841 -0.549 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.733 13.275 1.647 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.971 13.233 1.892 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.637 13.429 0.254 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.161 11.719 0.475 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.845 12.103 1.060 1.00 0.00 C ATOM 1167 C VAL A 74 -0.493 13.568 0.692 1.00 0.00 C ATOM 1168 O VAL A 74 -0.529 13.977 -0.472 1.00 0.00 O ATOM 1169 CB VAL A 74 0.258 11.055 0.740 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.494 10.782 -0.744 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.630 11.421 1.349 1.00 0.00 C ATOM 0 H VAL A 74 -2.195 11.793 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.915 12.086 2.148 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.152 10.154 1.197 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.282 10.037 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.425 10.409 -1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.794 11.705 -1.241 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.359 10.652 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.960 12.381 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.541 11.488 2.433 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.136 14.343 1.718 1.00 0.00 N ATOM 1182 CA PHE A 75 0.085 15.801 1.607 1.00 0.00 C ATOM 1183 C PHE A 75 1.597 16.143 1.471 1.00 0.00 C ATOM 1184 O PHE A 75 2.447 15.639 2.213 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.541 16.478 2.848 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.079 16.605 2.774 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.936 15.586 3.225 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.647 17.758 2.219 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.322 15.739 3.158 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.032 17.899 2.123 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.868 16.892 2.600 1.00 0.00 C ATOM 0 H PHE A 75 0.011 13.981 2.660 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.393 16.177 0.702 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.274 15.906 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.108 17.471 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.518 14.675 3.628 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.005 18.549 1.860 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.970 14.964 3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.455 18.788 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.940 17.006 2.537 1.00 0.00 H new ATOM 1201 N PHE A 76 1.900 17.018 0.508 1.00 0.00 N ATOM 1202 CA PHE A 76 3.288 17.414 0.162 1.00 0.00 C ATOM 1203 C PHE A 76 3.445 18.969 0.218 1.00 0.00 C ATOM 1204 O PHE A 76 2.486 19.708 -0.040 1.00 0.00 O ATOM 1205 CB PHE A 76 3.650 16.922 -1.271 1.00 0.00 C ATOM 1206 CG PHE A 76 3.574 15.406 -1.504 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.374 14.511 -0.776 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.680 14.888 -2.452 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.253 13.135 -0.970 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.588 13.514 -2.672 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.372 12.639 -1.928 1.00 0.00 C ATOM 0 H PHE A 76 1.192 17.480 -0.063 1.00 0.00 H new ATOM 0 HA PHE A 76 3.959 16.955 0.888 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.983 17.412 -1.981 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.662 17.254 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.088 14.891 -0.061 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.055 15.562 -3.019 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.844 12.453 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.909 13.130 -3.419 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.298 11.574 -2.093 1.00 0.00 H new ATOM 1221 N GLU A 77 4.665 19.461 0.490 1.00 0.00 N ATOM 1222 CA GLU A 77 4.988 20.908 0.287 1.00 0.00 C ATOM 1223 C GLU A 77 5.417 21.181 -1.194 1.00 0.00 C ATOM 1224 O GLU A 77 4.653 21.761 -1.968 1.00 0.00 O ATOM 1225 CB GLU A 77 6.009 21.345 1.364 1.00 0.00 C ATOM 1226 CG GLU A 77 6.127 22.872 1.551 1.00 0.00 C ATOM 1227 CD GLU A 77 5.045 23.476 2.427 1.00 0.00 C ATOM 1228 OE1 GLU A 77 3.854 23.450 2.054 1.00 0.00 O ATOM 1229 OE2 GLU A 77 5.358 23.919 3.550 1.00 0.00 O ATOM 0 H GLU A 77 5.440 18.901 0.845 1.00 0.00 H new ATOM 0 HA GLU A 77 4.107 21.534 0.427 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.728 20.896 2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.989 20.947 1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.100 23.100 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.096 23.350 0.572 1.00 0.00 H new ATOM 1236 N ASN A 78 6.608 20.703 -1.582 1.00 0.00 N ATOM 1237 CA ASN A 78 6.942 20.412 -3.003 1.00 0.00 C ATOM 1238 C ASN A 78 7.543 18.970 -3.104 1.00 0.00 C ATOM 1239 O ASN A 78 6.964 18.113 -3.779 1.00 0.00 O ATOM 1240 CB ASN A 78 7.824 21.534 -3.599 1.00 0.00 C ATOM 1241 CG ASN A 78 7.987 21.441 -5.115 1.00 0.00 C ATOM 1242 OD1 ASN A 78 8.262 20.389 -5.688 1.00 0.00 O ATOM 1243 ND2 ASN A 78 7.792 22.515 -5.834 1.00 0.00 N ATOM 0 H ASN A 78 7.369 20.505 -0.932 1.00 0.00 H new ATOM 0 HA ASN A 78 6.046 20.412 -3.623 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.388 22.501 -3.347 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.809 21.498 -3.133 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.869 22.469 -6.850 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.563 23.399 -5.379 1.00 0.00 H new ATOM 1250 N GLU A 79 8.680 18.725 -2.435 1.00 0.00 N ATOM 1251 CA GLU A 79 9.177 17.360 -2.150 1.00 0.00 C ATOM 1252 C GLU A 79 8.724 16.815 -0.757 1.00 0.00 C ATOM 1253 O GLU A 79 8.253 15.678 -0.698 1.00 0.00 O ATOM 1254 CB GLU A 79 10.715 17.302 -2.334 1.00 0.00 C ATOM 1255 CG GLU A 79 11.213 17.238 -3.793 1.00 0.00 C ATOM 1256 CD GLU A 79 11.016 15.940 -4.567 1.00 0.00 C ATOM 1257 OE1 GLU A 79 10.536 14.928 -4.016 1.00 0.00 O ATOM 1258 OE2 GLU A 79 11.317 15.927 -5.777 1.00 0.00 O ATOM 0 H GLU A 79 9.284 19.463 -2.074 1.00 0.00 H new ATOM 0 HA GLU A 79 8.718 16.689 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.153 18.180 -1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.093 16.429 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.718 18.035 -4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.279 17.465 -3.791 1.00 0.00 H new ATOM 1265 N GLN A 80 8.859 17.567 0.352 1.00 0.00 N ATOM 1266 CA GLN A 80 8.745 16.983 1.714 1.00 0.00 C ATOM 1267 C GLN A 80 7.319 16.513 2.109 1.00 0.00 C ATOM 1268 O GLN A 80 6.325 17.208 1.869 1.00 0.00 O ATOM 1269 CB GLN A 80 9.391 17.895 2.784 1.00 0.00 C ATOM 1270 CG GLN A 80 8.726 19.257 3.040 1.00 0.00 C ATOM 1271 CD GLN A 80 9.369 20.042 4.174 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.270 20.848 3.976 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.932 19.849 5.396 1.00 0.00 N ATOM 0 H GLN A 80 9.045 18.570 0.339 1.00 0.00 H new ATOM 0 HA GLN A 80 9.322 16.059 1.674 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.413 17.347 3.726 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.427 18.074 2.495 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.769 19.851 2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.672 19.101 3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.182 19.180 5.570 1.00 0.00 H new ATOM 0 HE22 GLN A 80 9.342 20.368 6.172 1.00 0.00 H new ATOM 1282 N VAL A 81 7.245 15.318 2.710 1.00 0.00 N ATOM 1283 CA VAL A 81 5.955 14.635 2.979 1.00 0.00 C ATOM 1284 C VAL A 81 5.443 15.024 4.405 1.00 0.00 C ATOM 1285 O VAL A 81 6.143 14.856 5.408 1.00 0.00 O ATOM 1286 CB VAL A 81 6.045 13.077 2.827 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.625 12.481 2.736 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.857 12.572 1.621 1.00 0.00 C ATOM 0 H VAL A 81 8.063 14.795 3.024 1.00 0.00 H new ATOM 0 HA VAL A 81 5.243 14.973 2.226 1.00 0.00 H new ATOM 0 HB VAL A 81 6.582 12.744 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.691 11.398 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.070 12.724 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.110 12.899 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.855 11.482 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.409 12.944 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.883 12.932 1.697 1.00 0.00 H new ATOM 1298 N VAL A 82 4.211 15.529 4.464 1.00 0.00 N ATOM 1299 CA VAL A 82 3.601 16.047 5.722 1.00 0.00 C ATOM 1300 C VAL A 82 2.789 14.937 6.483 1.00 0.00 C ATOM 1301 O VAL A 82 3.041 14.691 7.664 1.00 0.00 O ATOM 1302 CB VAL A 82 2.747 17.322 5.399 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.084 17.938 6.648 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.558 18.458 4.727 1.00 0.00 C ATOM 0 H VAL A 82 3.597 15.597 3.653 1.00 0.00 H new ATOM 0 HA VAL A 82 4.394 16.340 6.410 1.00 0.00 H new ATOM 0 HB VAL A 82 1.992 16.944 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.508 18.817 6.358 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.421 17.205 7.107 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.854 18.229 7.363 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.903 19.307 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.367 18.768 5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.976 18.100 3.786 1.00 0.00 H new ATOM 1314 N ARG A 83 1.788 14.349 5.823 1.00 0.00 N ATOM 1315 CA ARG A 83 0.777 13.451 6.446 1.00 0.00 C ATOM 1316 C ARG A 83 0.175 12.513 5.350 1.00 0.00 C ATOM 1317 O ARG A 83 0.134 12.872 4.168 1.00 0.00 O ATOM 1318 CB ARG A 83 -0.319 14.261 7.205 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.060 15.302 6.359 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.249 16.005 7.006 1.00 0.00 C ATOM 1321 NE ARG A 83 -3.432 15.106 7.077 1.00 0.00 N ATOM 1322 CZ ARG A 83 -4.704 15.518 7.025 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -5.071 16.756 6.803 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -5.657 14.659 7.216 1.00 0.00 N ATOM 0 H ARG A 83 1.643 14.478 4.822 1.00 0.00 H new ATOM 0 HA ARG A 83 1.263 12.830 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.048 13.562 7.613 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.146 14.767 8.051 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.342 16.063 6.054 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.410 14.812 5.450 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.978 16.334 8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.502 16.898 6.435 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.262 14.105 7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.366 17.478 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.062 16.997 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.433 13.682 7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.631 14.961 7.179 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.283 11.319 5.752 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.873 10.337 4.816 1.00 0.00 C ATOM 1340 C TRP A 84 -2.063 9.544 5.415 1.00 0.00 C ATOM 1341 O TRP A 84 -1.999 9.005 6.524 1.00 0.00 O ATOM 1342 CB TRP A 84 0.157 9.423 4.149 1.00 0.00 C ATOM 1343 CG TRP A 84 1.077 8.500 4.967 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.805 7.186 5.439 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.421 8.713 5.264 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.921 6.619 6.077 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.909 7.572 5.951 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.312 9.782 4.931 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.274 7.519 6.359 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.638 9.702 5.335 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.109 8.589 6.052 1.00 0.00 C ATOM 0 H TRP A 84 -0.258 11.004 6.722 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.291 10.948 4.016 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.391 8.786 3.454 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.805 10.063 3.551 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.144 6.685 5.321 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.986 5.708 6.531 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.959 10.637 4.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.654 6.663 6.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.317 10.507 5.095 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.140 8.564 6.371 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.132 9.469 4.614 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.456 8.994 5.070 1.00 0.00 C ATOM 1364 C GLU A 85 -4.872 7.820 4.119 1.00 0.00 C ATOM 1365 O GLU A 85 -5.252 8.038 2.960 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.522 10.119 5.096 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.100 11.571 5.368 1.00 0.00 C ATOM 1368 CD GLU A 85 -4.428 11.934 6.672 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -5.143 12.046 7.689 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -3.259 12.378 6.664 1.00 0.00 O ATOM 0 H GLU A 85 -3.110 9.735 3.629 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.390 8.652 6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -6.032 10.105 4.133 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.260 9.849 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.427 11.869 4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.994 12.189 5.281 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.718 6.575 4.592 1.00 0.00 N ATOM 1378 CA GLY A 86 -4.798 5.389 3.713 1.00 0.00 C ATOM 1379 C GLY A 86 -6.064 4.540 3.832 1.00 0.00 C ATOM 1380 O GLY A 86 -6.023 3.459 4.425 1.00 0.00 O ATOM 0 H GLY A 86 -4.538 6.359 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.706 5.723 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.938 4.752 3.920 1.00 0.00 H new ATOM 1384 N ASP A 87 -7.128 4.958 3.137 1.00 0.00 N ATOM 1385 CA ASP A 87 -8.318 4.082 2.867 1.00 0.00 C ATOM 1386 C ASP A 87 -8.217 3.231 1.534 1.00 0.00 C ATOM 1387 O ASP A 87 -9.196 2.956 0.833 1.00 0.00 O ATOM 1388 CB ASP A 87 -9.591 4.958 2.914 1.00 0.00 C ATOM 1389 CG ASP A 87 -10.053 5.263 4.337 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -10.524 4.327 5.021 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -9.949 6.428 4.774 1.00 0.00 O ATOM 0 H ASP A 87 -7.208 5.895 2.743 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.358 3.323 3.648 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.400 5.895 2.391 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.394 4.452 2.378 1.00 0.00 H new ATOM 1396 N TYR A 88 -7.004 2.749 1.261 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.662 1.893 0.114 1.00 0.00 C ATOM 1398 C TYR A 88 -6.883 0.402 0.444 1.00 0.00 C ATOM 1399 O TYR A 88 -6.139 -0.182 1.236 1.00 0.00 O ATOM 1400 CB TYR A 88 -5.251 2.233 -0.399 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.989 2.326 0.464 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -3.931 2.123 1.861 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -2.809 2.673 -0.204 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -2.727 2.263 2.547 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.604 2.797 0.486 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.565 2.581 1.858 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.386 2.603 2.524 1.00 0.00 O ATOM 0 H TYR A 88 -6.198 2.949 1.853 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.341 2.098 -0.714 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.030 1.495 -1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.341 3.198 -0.898 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.828 1.857 2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.832 2.847 -1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.698 2.124 3.618 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.702 3.061 -0.045 1.00 0.00 H new ATOM 0 HH TYR A 88 0.004 1.704 2.528 1.00 0.00 H new ATOM 1667 N GLY A 105 -9.867 -6.761 14.594 1.00 0.00 N ATOM 1668 CA GLY A 105 -10.317 -6.282 13.257 1.00 0.00 C ATOM 1669 C GLY A 105 -9.755 -4.941 12.727 1.00 0.00 C ATOM 1670 O GLY A 105 -10.511 -4.139 12.182 1.00 0.00 O ATOM 0 HA2 GLY A 105 -10.073 -7.055 12.528 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -11.404 -6.199 13.283 1.00 0.00 H new ATOM 1674 N ARG A 106 -8.434 -4.746 12.841 1.00 0.00 N ATOM 1675 CA ARG A 106 -7.697 -3.612 12.227 1.00 0.00 C ATOM 1676 C ARG A 106 -6.178 -3.961 12.306 1.00 0.00 C ATOM 1677 O ARG A 106 -5.542 -3.770 13.349 1.00 0.00 O ATOM 1678 CB ARG A 106 -8.045 -2.267 12.921 1.00 0.00 C ATOM 1679 CG ARG A 106 -7.670 -0.990 12.142 1.00 0.00 C ATOM 1680 CD ARG A 106 -6.249 -0.470 12.389 1.00 0.00 C ATOM 1681 NE ARG A 106 -6.048 0.755 11.571 1.00 0.00 N ATOM 1682 CZ ARG A 106 -5.191 1.735 11.840 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -4.392 1.748 12.872 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -5.120 2.739 11.017 1.00 0.00 N ATOM 0 H ARG A 106 -7.830 -5.376 13.369 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.986 -3.474 11.185 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.117 -2.248 13.117 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.544 -2.239 13.889 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.788 -1.186 11.076 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.378 -0.203 12.402 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -6.105 -0.248 13.446 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -5.515 -1.230 12.120 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.617 0.852 10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -4.401 0.972 13.534 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.759 2.534 13.017 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -5.714 2.762 10.188 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.471 3.504 11.200 1.00 0.00 H new ATOM 1698 N ASN A 107 -5.593 -4.462 11.207 1.00 0.00 N ATOM 1699 CA ASN A 107 -4.155 -4.853 11.174 1.00 0.00 C ATOM 1700 C ASN A 107 -3.204 -3.621 10.929 1.00 0.00 C ATOM 1701 O ASN A 107 -2.675 -3.452 9.830 1.00 0.00 O ATOM 1702 CB ASN A 107 -3.931 -5.915 10.066 1.00 0.00 C ATOM 1703 CG ASN A 107 -4.518 -7.293 10.283 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -3.922 -8.155 10.919 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -5.654 -7.574 9.692 1.00 0.00 N ATOM 0 H ASN A 107 -6.084 -4.610 10.325 1.00 0.00 H new ATOM 0 HA ASN A 107 -3.905 -5.267 12.151 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -4.338 -5.520 9.135 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -2.856 -6.027 9.921 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.046 -8.513 9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.146 -6.853 9.164 1.00 0.00 H new ATOM 1712 N LEU A 108 -3.015 -2.787 11.963 1.00 0.00 N ATOM 1713 CA LEU A 108 -2.098 -1.608 11.950 1.00 0.00 C ATOM 1714 C LEU A 108 -2.170 -0.900 13.342 1.00 0.00 C ATOM 1715 O LEU A 108 -3.252 -0.687 13.902 1.00 0.00 O ATOM 1716 CB LEU A 108 -2.385 -0.625 10.777 1.00 0.00 C ATOM 1717 CG LEU A 108 -1.616 0.705 10.714 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -0.101 0.536 10.661 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -2.056 1.513 9.478 1.00 0.00 C ATOM 0 H LEU A 108 -3.498 -2.904 12.854 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.082 -1.963 11.775 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.195 -1.159 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.449 -0.389 10.798 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.857 1.229 11.639 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.373 1.517 10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.238 0.008 11.552 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.170 -0.037 9.775 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.505 2.453 9.443 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.850 0.938 8.575 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.124 1.720 9.540 1.00 0.00 H new ATOM 1731 N ALA A 109 -1.004 -0.457 13.830 1.00 0.00 N ATOM 1732 CA ALA A 109 -0.890 0.413 15.024 1.00 0.00 C ATOM 1733 C ALA A 109 -1.594 1.801 14.933 1.00 0.00 C ATOM 1734 O ALA A 109 -2.554 2.008 15.679 1.00 0.00 O ATOM 1735 CB ALA A 109 0.608 0.515 15.356 1.00 0.00 C ATOM 0 H ALA A 109 -0.104 -0.689 13.410 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.449 -0.050 15.837 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.744 1.149 16.232 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.003 -0.480 15.562 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.140 0.948 14.509 1.00 0.00 H new ATOM 1741 N ARG A 110 -1.170 2.729 14.051 1.00 0.00 N ATOM 1742 CA ARG A 110 -1.660 4.132 14.079 1.00 0.00 C ATOM 1743 C ARG A 110 -2.311 4.605 12.727 1.00 0.00 C ATOM 1744 O ARG A 110 -2.393 3.904 11.716 1.00 0.00 O ATOM 1745 CB ARG A 110 -0.477 5.050 14.529 1.00 0.00 C ATOM 1746 CG ARG A 110 -0.805 5.916 15.768 1.00 0.00 C ATOM 1747 CD ARG A 110 0.084 7.168 15.886 1.00 0.00 C ATOM 1748 NE ARG A 110 -0.505 8.275 15.090 1.00 0.00 N ATOM 1749 CZ ARG A 110 0.094 9.414 14.777 1.00 0.00 C ATOM 1750 NH1 ARG A 110 1.330 9.702 15.092 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -0.590 10.295 14.122 1.00 0.00 N ATOM 0 H ARG A 110 -0.493 2.539 13.312 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.478 4.200 14.797 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.391 4.429 14.749 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.200 5.703 13.702 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.850 6.223 15.722 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.690 5.311 16.667 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.173 7.466 16.931 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.090 6.947 15.530 1.00 0.00 H new ATOM 0 HE ARG A 110 -1.459 8.146 14.753 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.894 9.029 15.611 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.730 10.600 14.819 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.558 10.101 13.864 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.162 11.184 13.864 1.00 0.00 H new ATOM 1765 N ASP A 111 -2.837 5.822 12.780 1.00 0.00 N ATOM 1766 CA ASP A 111 -2.972 6.741 11.616 1.00 0.00 C ATOM 1767 C ASP A 111 -1.606 7.294 11.063 1.00 0.00 C ATOM 1768 O ASP A 111 -0.529 6.909 11.527 1.00 0.00 O ATOM 1769 CB ASP A 111 -3.926 7.868 12.132 1.00 0.00 C ATOM 1770 CG ASP A 111 -3.323 8.786 13.197 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -3.095 8.336 14.340 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -2.935 9.922 12.866 1.00 0.00 O ATOM 0 H ASP A 111 -3.195 6.224 13.646 1.00 0.00 H new ATOM 0 HA ASP A 111 -3.371 6.220 10.746 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.238 8.477 11.283 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.825 7.405 12.539 1.00 0.00 H new ATOM 1777 N LYS A 112 -1.643 8.258 10.123 1.00 0.00 N ATOM 1778 CA LYS A 112 -0.487 9.186 9.938 1.00 0.00 C ATOM 1779 C LYS A 112 -0.870 10.695 9.768 1.00 0.00 C ATOM 1780 O LYS A 112 -0.546 11.343 8.769 1.00 0.00 O ATOM 1781 CB LYS A 112 0.481 8.668 8.843 1.00 0.00 C ATOM 1782 CG LYS A 112 1.969 8.922 9.195 1.00 0.00 C ATOM 1783 CD LYS A 112 2.547 7.749 10.006 1.00 0.00 C ATOM 1784 CE LYS A 112 3.920 8.036 10.610 1.00 0.00 C ATOM 1785 NZ LYS A 112 4.408 6.794 11.264 1.00 0.00 N ATOM 0 H LYS A 112 -2.429 8.421 9.493 1.00 0.00 H new ATOM 0 HA LYS A 112 0.053 9.175 10.885 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.323 7.599 8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.247 9.155 7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 112 2.546 9.056 8.280 1.00 0.00 H new ATOM 0 HG3 LYS A 112 2.059 9.845 9.767 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.853 7.497 10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.620 6.874 9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.617 8.357 9.835 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.854 8.847 11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.216 7.020 11.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.644 6.379 11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.705 6.113 10.537 1.00 0.00 H new