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 20 GLN : amide:sc= 0.257 K(o=1.8,f=-0.072) USER MOD Set 1.2: A 107 ASN : amide:sc= 1.53 K(o=1.8,f=-0.072) USER MOD Set 2.1: A 41 THR OG1 : rot 171:sc= 1.19 USER MOD Set 2.2: A 70 LYS NZ :NH3+ 180:sc= 0.873 (180deg=0.873) USER MOD Set 2.3: A 88 TYR OH : rot 118:sc= 1.11 USER MOD Set 3.1: A 49 HIS : no HE2:sc= 0.209 K(o=0.43,f=-0.26) USER MOD Set 3.2: A 51 GLN : amide:sc= 0.223 K(o=0.43,f=-0.26) USER MOD Set 4.1: A 33 GLN : amide:sc= 1.09 K(o=2.2,f=-0.47!) USER MOD Set 4.2: A 43 SER OG : rot 126:sc= 1.14 USER MOD Single : A 19 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.138) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.178 X(o=0.18,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.829 K(o=0.83,f=0) USER MOD Single : A 30 GLN : amide:sc= 0.0179 X(o=0.018,f=0) USER MOD Single : A 31 SER OG : rot 76:sc= 0.85 USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 2.19 (180deg=2.03) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -177:sc= -0.319 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.126 K(o=-0.13,f=-3.7!) USER MOD Single : A 73 THR OG1 : rot -77:sc= 1.11 USER MOD Single : A 78 ASN : amide:sc= 1.36 K(o=1.4,f=-4!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 163:sc= 0.976 (180deg=-0.0459!) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 4.965 -2.258 -0.007 1.00 0.00 N ATOM 265 CA ILE A 18 3.531 -2.127 0.385 1.00 0.00 C ATOM 266 C ILE A 18 3.115 -3.184 1.443 1.00 0.00 C ATOM 267 O ILE A 18 2.715 -4.306 1.128 1.00 0.00 O ATOM 268 CB ILE A 18 2.661 -2.109 -0.930 1.00 0.00 C ATOM 269 CG1 ILE A 18 2.737 -0.688 -1.570 1.00 0.00 C ATOM 270 CG2 ILE A 18 1.177 -2.521 -0.803 1.00 0.00 C ATOM 271 CD1 ILE A 18 1.988 0.396 -0.798 1.00 0.00 C ATOM 0 HA ILE A 18 3.355 -1.184 0.902 1.00 0.00 H new ATOM 0 HB ILE A 18 3.103 -2.887 -1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.784 -0.398 -1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.336 -0.738 -2.582 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.698 -2.464 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.114 -3.542 -0.428 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.671 -1.848 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.095 1.350 -1.314 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.932 0.134 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.402 0.479 0.207 1.00 0.00 H new ATOM 283 N LYS A 19 3.096 -2.756 2.707 1.00 0.00 N ATOM 284 CA LYS A 19 2.128 -3.259 3.719 1.00 0.00 C ATOM 285 C LYS A 19 1.848 -2.098 4.722 1.00 0.00 C ATOM 286 O LYS A 19 2.788 -1.432 5.160 1.00 0.00 O ATOM 287 CB LYS A 19 2.577 -4.582 4.393 1.00 0.00 C ATOM 288 CG LYS A 19 3.759 -4.495 5.363 1.00 0.00 C ATOM 289 CD LYS A 19 4.374 -5.821 5.823 1.00 0.00 C ATOM 290 CE LYS A 19 3.495 -6.796 6.620 1.00 0.00 C ATOM 291 NZ LYS A 19 2.695 -7.642 5.698 1.00 0.00 N ATOM 0 H LYS A 19 3.742 -2.055 3.070 1.00 0.00 H new ATOM 0 HA LYS A 19 1.195 -3.541 3.231 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.725 -4.995 4.932 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.833 -5.294 3.608 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.543 -3.903 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.433 -3.947 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.733 -6.345 4.937 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.248 -5.588 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.120 -7.426 7.252 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.831 -6.240 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.703 -7.652 6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.752 -7.255 4.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.069 -8.612 5.704 1.00 0.00 H new ATOM 305 N GLN A 20 0.588 -1.866 5.113 1.00 0.00 N ATOM 306 CA GLN A 20 0.211 -0.701 5.992 1.00 0.00 C ATOM 307 C GLN A 20 0.981 -0.509 7.336 1.00 0.00 C ATOM 308 O GLN A 20 1.204 0.640 7.720 1.00 0.00 O ATOM 309 CB GLN A 20 -1.320 -0.762 6.167 1.00 0.00 C ATOM 310 CG GLN A 20 -1.995 0.453 6.839 1.00 0.00 C ATOM 311 CD GLN A 20 -3.516 0.294 6.862 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.073 -0.534 7.580 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.226 1.034 6.049 1.00 0.00 N ATOM 0 H GLN A 20 -0.201 -2.456 4.847 1.00 0.00 H new ATOM 0 HA GLN A 20 0.538 0.203 5.479 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -1.769 -0.898 5.183 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.559 -1.650 6.752 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.622 0.563 7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.729 1.364 6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.766 1.722 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.239 0.923 6.012 1.00 0.00 H new ATOM 322 N ASN A 21 1.439 -1.584 8.004 1.00 0.00 N ATOM 323 CA ASN A 21 2.463 -1.473 9.084 1.00 0.00 C ATOM 324 C ASN A 21 3.834 -0.873 8.621 1.00 0.00 C ATOM 325 O ASN A 21 4.290 0.076 9.252 1.00 0.00 O ATOM 326 CB ASN A 21 2.607 -2.864 9.746 1.00 0.00 C ATOM 327 CG ASN A 21 3.407 -2.873 11.045 1.00 0.00 C ATOM 328 OD1 ASN A 21 2.929 -2.496 12.107 1.00 0.00 O ATOM 329 ND2 ASN A 21 4.651 -3.287 11.016 1.00 0.00 N ATOM 0 H ASN A 21 1.125 -2.537 7.824 1.00 0.00 H new ATOM 0 HA ASN A 21 2.114 -0.743 9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.612 -3.261 9.946 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.084 -3.541 9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.207 -3.292 11.871 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.063 -3.604 10.138 1.00 0.00 H new ATOM 336 N ALA A 22 4.456 -1.390 7.546 1.00 0.00 N ATOM 337 CA ALA A 22 5.647 -0.744 6.933 1.00 0.00 C ATOM 338 C ALA A 22 5.426 0.669 6.307 1.00 0.00 C ATOM 339 O ALA A 22 6.291 1.526 6.487 1.00 0.00 O ATOM 340 CB ALA A 22 6.228 -1.709 5.892 1.00 0.00 C ATOM 0 H ALA A 22 4.161 -2.248 7.081 1.00 0.00 H new ATOM 0 HA ALA A 22 6.339 -0.549 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.104 -1.258 5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.515 -2.641 6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.478 -1.915 5.129 1.00 0.00 H new ATOM 346 N VAL A 23 4.295 0.931 5.625 1.00 0.00 N ATOM 347 CA VAL A 23 3.948 2.298 5.133 1.00 0.00 C ATOM 348 C VAL A 23 3.695 3.348 6.269 1.00 0.00 C ATOM 349 O VAL A 23 4.086 4.501 6.089 1.00 0.00 O ATOM 350 CB VAL A 23 2.801 2.286 4.068 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.602 3.681 3.422 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.057 1.295 2.909 1.00 0.00 C ATOM 0 H VAL A 23 3.599 0.221 5.397 1.00 0.00 H new ATOM 0 HA VAL A 23 4.849 2.642 4.625 1.00 0.00 H new ATOM 0 HB VAL A 23 1.916 1.980 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.797 3.631 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.345 4.406 4.194 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.524 3.988 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.225 1.335 2.206 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.980 1.566 2.396 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.147 0.284 3.307 1.00 0.00 H new ATOM 362 N GLU A 24 3.111 2.982 7.419 1.00 0.00 N ATOM 363 CA GLU A 24 3.185 3.831 8.644 1.00 0.00 C ATOM 364 C GLU A 24 4.613 3.903 9.286 1.00 0.00 C ATOM 365 O GLU A 24 5.129 5.003 9.499 1.00 0.00 O ATOM 366 CB GLU A 24 2.066 3.352 9.594 1.00 0.00 C ATOM 367 CG GLU A 24 1.667 4.333 10.709 1.00 0.00 C ATOM 368 CD GLU A 24 2.579 4.412 11.913 1.00 0.00 C ATOM 369 OE1 GLU A 24 2.938 3.361 12.486 1.00 0.00 O ATOM 370 OE2 GLU A 24 2.892 5.530 12.371 1.00 0.00 O ATOM 0 H GLU A 24 2.585 2.116 7.539 1.00 0.00 H new ATOM 0 HA GLU A 24 3.013 4.877 8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.181 3.129 8.998 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.383 2.417 10.056 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.594 5.329 10.273 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.670 4.063 11.057 1.00 0.00 H new ATOM 377 N GLN A 25 5.260 2.754 9.541 1.00 0.00 N ATOM 378 CA GLN A 25 6.604 2.685 10.182 1.00 0.00 C ATOM 379 C GLN A 25 7.798 3.294 9.398 1.00 0.00 C ATOM 380 O GLN A 25 8.746 3.733 10.057 1.00 0.00 O ATOM 381 CB GLN A 25 6.815 1.210 10.606 1.00 0.00 C ATOM 382 CG GLN A 25 8.022 0.897 11.511 1.00 0.00 C ATOM 383 CD GLN A 25 9.256 0.361 10.797 1.00 0.00 C ATOM 384 OE1 GLN A 25 9.376 -0.828 10.523 1.00 0.00 O ATOM 385 NE2 GLN A 25 10.217 1.195 10.479 1.00 0.00 N ATOM 0 H GLN A 25 4.873 1.839 9.312 1.00 0.00 H new ATOM 0 HA GLN A 25 6.599 3.354 11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.914 0.875 11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.908 0.610 9.701 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.299 1.806 12.045 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.713 0.169 12.261 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.127 2.186 10.703 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.054 0.852 10.008 1.00 0.00 H new ATOM 394 N LEU A 26 7.770 3.392 8.054 1.00 0.00 N ATOM 395 CA LEU A 26 8.714 4.263 7.293 1.00 0.00 C ATOM 396 C LEU A 26 8.850 5.746 7.751 1.00 0.00 C ATOM 397 O LEU A 26 9.958 6.281 7.696 1.00 0.00 O ATOM 398 CB LEU A 26 8.540 4.076 5.763 1.00 0.00 C ATOM 399 CG LEU A 26 7.228 4.481 5.070 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.029 5.977 4.821 1.00 0.00 C ATOM 401 CD2 LEU A 26 7.141 3.790 3.688 1.00 0.00 C ATOM 0 H LEU A 26 7.109 2.884 7.466 1.00 0.00 H new ATOM 0 HA LEU A 26 9.701 3.891 7.567 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.344 4.630 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.705 3.020 5.547 1.00 0.00 H new ATOM 0 HG LEU A 26 6.455 4.170 5.772 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.070 6.139 4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.043 6.509 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.832 6.350 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.211 4.076 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.987 4.098 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.163 2.708 3.820 1.00 0.00 H new ATOM 413 N GLN A 27 7.750 6.370 8.220 1.00 0.00 N ATOM 414 CA GLN A 27 7.757 7.685 8.924 1.00 0.00 C ATOM 415 C GLN A 27 8.564 8.857 8.272 1.00 0.00 C ATOM 416 O GLN A 27 9.326 9.570 8.930 1.00 0.00 O ATOM 417 CB GLN A 27 8.054 7.418 10.425 1.00 0.00 C ATOM 418 CG GLN A 27 7.247 8.290 11.410 1.00 0.00 C ATOM 419 CD GLN A 27 5.763 7.930 11.507 1.00 0.00 C ATOM 420 OE1 GLN A 27 4.907 8.569 10.905 1.00 0.00 O ATOM 421 NE2 GLN A 27 5.422 6.901 12.249 1.00 0.00 N ATOM 0 H GLN A 27 6.814 5.975 8.123 1.00 0.00 H new ATOM 0 HA GLN A 27 6.762 8.117 8.814 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.851 6.369 10.640 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.117 7.580 10.605 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.694 8.205 12.401 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.336 9.334 11.108 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.138 6.373 12.748 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.442 6.631 12.326 1.00 0.00 H new ATOM 430 N VAL A 28 8.367 9.039 6.959 1.00 0.00 N ATOM 431 CA VAL A 28 9.176 9.976 6.130 1.00 0.00 C ATOM 432 C VAL A 28 8.519 11.392 6.152 1.00 0.00 C ATOM 433 O VAL A 28 7.320 11.534 5.900 1.00 0.00 O ATOM 434 CB VAL A 28 9.310 9.394 4.674 1.00 0.00 C ATOM 435 CG1 VAL A 28 9.999 10.350 3.670 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.130 8.079 4.634 1.00 0.00 C ATOM 0 H VAL A 28 7.646 8.547 6.432 1.00 0.00 H new ATOM 0 HA VAL A 28 10.182 10.081 6.536 1.00 0.00 H new ATOM 0 HB VAL A 28 8.273 9.232 4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.052 9.873 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.424 11.273 3.594 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.007 10.578 4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.192 7.720 3.607 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.134 8.265 5.015 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.641 7.326 5.252 1.00 0.00 H new ATOM 446 N GLY A 29 9.340 12.426 6.385 1.00 0.00 N ATOM 447 CA GLY A 29 8.946 13.837 6.151 1.00 0.00 C ATOM 448 C GLY A 29 9.965 14.653 5.334 1.00 0.00 C ATOM 449 O GLY A 29 10.376 15.725 5.774 1.00 0.00 O ATOM 0 H GLY A 29 10.291 12.317 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.987 13.853 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.796 14.325 7.114 1.00 0.00 H new ATOM 453 N GLN A 30 10.364 14.139 4.154 1.00 0.00 N ATOM 454 CA GLN A 30 11.566 14.642 3.433 1.00 0.00 C ATOM 455 C GLN A 30 11.412 14.726 1.889 1.00 0.00 C ATOM 456 O GLN A 30 11.765 15.774 1.342 1.00 0.00 O ATOM 457 CB GLN A 30 12.787 13.788 3.872 1.00 0.00 C ATOM 458 CG GLN A 30 14.165 14.207 3.322 1.00 0.00 C ATOM 459 CD GLN A 30 14.665 15.585 3.729 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.314 15.761 4.753 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.396 16.606 2.949 1.00 0.00 N ATOM 0 H GLN A 30 9.879 13.380 3.676 1.00 0.00 H new ATOM 0 HA GLN A 30 11.716 15.684 3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.837 13.803 4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.603 12.755 3.575 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.900 13.468 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.125 14.166 2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.856 16.467 2.095 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.727 17.538 3.197 1.00 0.00 H new ATOM 470 N SER A 31 10.977 13.659 1.186 1.00 0.00 N ATOM 471 CA SER A 31 10.939 13.658 -0.298 1.00 0.00 C ATOM 472 C SER A 31 9.743 12.855 -0.889 1.00 0.00 C ATOM 473 O SER A 31 9.642 11.633 -0.739 1.00 0.00 O ATOM 474 CB SER A 31 12.295 13.170 -0.864 1.00 0.00 C ATOM 475 OG SER A 31 12.283 13.118 -2.295 1.00 0.00 O ATOM 0 H SER A 31 10.649 12.793 1.614 1.00 0.00 H new ATOM 0 HA SER A 31 10.774 14.688 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.090 13.837 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 31 12.521 12.181 -0.466 1.00 0.00 H new ATOM 0 HG SER A 31 12.354 14.026 -2.656 1.00 0.00 H new ATOM 481 N LYS A 32 8.912 13.579 -1.649 1.00 0.00 N ATOM 482 CA LYS A 32 7.887 13.030 -2.570 1.00 0.00 C ATOM 483 C LYS A 32 8.336 11.953 -3.600 1.00 0.00 C ATOM 484 O LYS A 32 7.687 10.911 -3.717 1.00 0.00 O ATOM 485 CB LYS A 32 7.128 14.211 -3.256 1.00 0.00 C ATOM 486 CG LYS A 32 7.970 15.206 -4.073 1.00 0.00 C ATOM 487 CD LYS A 32 7.129 16.260 -4.798 1.00 0.00 C ATOM 488 CE LYS A 32 7.909 17.467 -5.372 1.00 0.00 C ATOM 489 NZ LYS A 32 9.147 17.139 -6.119 1.00 0.00 N ATOM 0 H LYS A 32 8.929 14.599 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 32 7.226 12.449 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.370 13.788 -3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.601 14.769 -2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.674 15.707 -3.408 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.560 14.656 -4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.597 15.773 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.375 16.635 -4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.245 18.023 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.169 18.132 -4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.563 18.012 -6.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.828 16.683 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.920 16.492 -6.901 1.00 0.00 H new ATOM 503 N GLN A 33 9.439 12.199 -4.318 1.00 0.00 N ATOM 504 CA GLN A 33 10.027 11.215 -5.265 1.00 0.00 C ATOM 505 C GLN A 33 10.674 9.964 -4.616 1.00 0.00 C ATOM 506 O GLN A 33 10.482 8.869 -5.148 1.00 0.00 O ATOM 507 CB GLN A 33 10.943 12.027 -6.212 1.00 0.00 C ATOM 508 CG GLN A 33 11.731 11.194 -7.241 1.00 0.00 C ATOM 509 CD GLN A 33 12.090 11.941 -8.516 1.00 0.00 C ATOM 510 OE1 GLN A 33 11.410 11.836 -9.534 1.00 0.00 O ATOM 511 NE2 GLN A 33 13.154 12.706 -8.523 1.00 0.00 N ATOM 0 H GLN A 33 9.954 13.078 -4.267 1.00 0.00 H new ATOM 0 HA GLN A 33 9.237 10.726 -5.836 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.331 12.752 -6.748 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.652 12.593 -5.608 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.649 10.837 -6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.144 10.314 -7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.722 12.797 -7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.414 13.210 -9.371 1.00 0.00 H new ATOM 520 N GLN A 34 11.382 10.099 -3.486 1.00 0.00 N ATOM 521 CA GLN A 34 11.857 8.931 -2.700 1.00 0.00 C ATOM 522 C GLN A 34 10.711 8.037 -2.135 1.00 0.00 C ATOM 523 O GLN A 34 10.729 6.832 -2.393 1.00 0.00 O ATOM 524 CB GLN A 34 12.799 9.377 -1.558 1.00 0.00 C ATOM 525 CG GLN A 34 14.120 10.054 -1.975 1.00 0.00 C ATOM 526 CD GLN A 34 15.111 9.151 -2.692 1.00 0.00 C ATOM 527 OE1 GLN A 34 15.765 8.302 -2.098 1.00 0.00 O ATOM 528 NE2 GLN A 34 15.265 9.293 -3.987 1.00 0.00 N ATOM 0 H GLN A 34 11.643 11.001 -3.088 1.00 0.00 H new ATOM 0 HA GLN A 34 12.408 8.311 -3.407 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.252 10.066 -0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.041 8.502 -0.955 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.888 10.899 -2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.600 10.458 -1.084 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.725 9.997 -4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.924 8.700 -4.490 1.00 0.00 H new ATOM 537 N VAL A 35 9.705 8.599 -1.436 1.00 0.00 N ATOM 538 CA VAL A 35 8.528 7.805 -0.968 1.00 0.00 C ATOM 539 C VAL A 35 7.685 7.140 -2.099 1.00 0.00 C ATOM 540 O VAL A 35 7.370 5.956 -1.979 1.00 0.00 O ATOM 541 CB VAL A 35 7.732 8.624 0.091 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.865 9.761 -0.473 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.832 7.730 0.962 1.00 0.00 C ATOM 0 H VAL A 35 9.674 9.586 -1.181 1.00 0.00 H new ATOM 0 HA VAL A 35 8.901 6.915 -0.462 1.00 0.00 H new ATOM 0 HB VAL A 35 8.523 9.079 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.353 10.268 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.498 10.473 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.128 9.349 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.298 8.346 1.685 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.114 7.209 0.328 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.446 7.001 1.490 1.00 0.00 H new ATOM 553 N SER A 36 7.397 7.846 -3.206 1.00 0.00 N ATOM 554 CA SER A 36 6.767 7.226 -4.407 1.00 0.00 C ATOM 555 C SER A 36 7.607 6.142 -5.139 1.00 0.00 C ATOM 556 O SER A 36 7.064 5.080 -5.463 1.00 0.00 O ATOM 557 CB SER A 36 6.390 8.393 -5.361 1.00 0.00 C ATOM 558 OG SER A 36 5.695 7.936 -6.513 1.00 0.00 O ATOM 0 H SER A 36 7.586 8.844 -3.304 1.00 0.00 H new ATOM 0 HA SER A 36 5.899 6.660 -4.070 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.771 9.113 -4.826 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.295 8.917 -5.668 1.00 0.00 H new ATOM 0 HG SER A 36 5.510 8.694 -7.106 1.00 0.00 H new ATOM 564 N ALA A 37 8.912 6.363 -5.360 1.00 0.00 N ATOM 565 CA ALA A 37 9.806 5.307 -5.890 1.00 0.00 C ATOM 566 C ALA A 37 9.987 4.040 -4.998 1.00 0.00 C ATOM 567 O ALA A 37 9.928 2.932 -5.538 1.00 0.00 O ATOM 568 CB ALA A 37 11.148 5.961 -6.230 1.00 0.00 C ATOM 0 H ALA A 37 9.375 7.255 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 37 9.319 4.897 -6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.830 5.208 -6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 37 10.995 6.738 -6.978 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.576 6.403 -5.330 1.00 0.00 H new ATOM 574 N LEU A 38 10.147 4.205 -3.674 1.00 0.00 N ATOM 575 CA LEU A 38 10.161 3.076 -2.707 1.00 0.00 C ATOM 576 C LEU A 38 8.797 2.322 -2.561 1.00 0.00 C ATOM 577 O LEU A 38 8.800 1.092 -2.597 1.00 0.00 O ATOM 578 CB LEU A 38 10.672 3.567 -1.324 1.00 0.00 C ATOM 579 CG LEU A 38 12.201 3.518 -1.097 1.00 0.00 C ATOM 580 CD1 LEU A 38 13.016 4.448 -1.997 1.00 0.00 C ATOM 581 CD2 LEU A 38 12.492 3.890 0.373 1.00 0.00 C ATOM 0 H LEU A 38 10.270 5.119 -3.237 1.00 0.00 H new ATOM 0 HA LEU A 38 10.848 2.337 -3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 38 10.339 4.595 -1.182 1.00 0.00 H new ATOM 0 HB3 LEU A 38 10.193 2.967 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 38 12.509 2.503 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.076 4.343 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 38 12.846 4.185 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.708 5.480 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.567 3.860 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 38 12.119 4.894 0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 38 11.996 3.179 1.033 1.00 0.00 H new ATOM 593 N LEU A 39 7.665 3.027 -2.428 1.00 0.00 N ATOM 594 CA LEU A 39 6.318 2.400 -2.432 1.00 0.00 C ATOM 595 C LEU A 39 5.823 1.729 -3.762 1.00 0.00 C ATOM 596 O LEU A 39 4.928 0.881 -3.709 1.00 0.00 O ATOM 597 CB LEU A 39 5.296 3.505 -2.054 1.00 0.00 C ATOM 598 CG LEU A 39 5.276 3.925 -0.571 1.00 0.00 C ATOM 599 CD1 LEU A 39 4.413 5.192 -0.424 1.00 0.00 C ATOM 600 CD2 LEU A 39 4.712 2.835 0.346 1.00 0.00 C ATOM 0 H LEU A 39 7.647 4.041 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 39 6.397 1.572 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.504 4.388 -2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.299 3.159 -2.327 1.00 0.00 H new ATOM 0 HG LEU A 39 6.307 4.107 -0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.392 5.498 0.622 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.838 5.994 -1.028 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.398 4.982 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.722 3.186 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.688 2.605 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.324 1.937 0.262 1.00 0.00 H new ATOM 612 N GLY A 40 6.330 2.162 -4.918 1.00 0.00 N ATOM 613 CA GLY A 40 5.931 1.603 -6.234 1.00 0.00 C ATOM 614 C GLY A 40 4.886 2.423 -7.007 1.00 0.00 C ATOM 615 O GLY A 40 3.827 1.919 -7.390 1.00 0.00 O ATOM 0 H GLY A 40 7.026 2.905 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.822 1.505 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.538 0.598 -6.079 1.00 0.00 H new ATOM 619 N THR A 41 5.203 3.696 -7.220 1.00 0.00 N ATOM 620 CA THR A 41 4.310 4.700 -7.842 1.00 0.00 C ATOM 621 C THR A 41 5.184 5.572 -8.811 1.00 0.00 C ATOM 622 O THR A 41 6.380 5.777 -8.544 1.00 0.00 O ATOM 623 CB THR A 41 3.659 5.522 -6.696 1.00 0.00 C ATOM 624 OG1 THR A 41 2.810 4.678 -5.933 1.00 0.00 O ATOM 625 CG2 THR A 41 2.779 6.685 -7.117 1.00 0.00 C ATOM 0 H THR A 41 6.112 4.081 -6.962 1.00 0.00 H new ATOM 0 HA THR A 41 3.505 4.258 -8.429 1.00 0.00 H new ATOM 0 HB THR A 41 4.516 5.926 -6.157 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.509 5.155 -5.131 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.383 7.181 -6.231 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.368 7.395 -7.697 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.954 6.315 -7.726 1.00 0.00 H new ATOM 633 N PRO A 42 4.682 6.096 -9.954 1.00 0.00 N ATOM 634 CA PRO A 42 5.401 7.168 -10.726 1.00 0.00 C ATOM 635 C PRO A 42 5.556 8.496 -9.931 1.00 0.00 C ATOM 636 O PRO A 42 4.673 8.906 -9.170 1.00 0.00 O ATOM 637 CB PRO A 42 4.535 7.287 -12.003 1.00 0.00 C ATOM 638 CG PRO A 42 3.119 6.855 -11.562 1.00 0.00 C ATOM 639 CD PRO A 42 3.364 5.751 -10.523 1.00 0.00 C ATOM 0 HA PRO A 42 6.441 6.926 -10.947 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.535 8.307 -12.387 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.914 6.646 -12.799 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.565 7.689 -11.132 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.536 6.485 -12.405 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.587 5.741 -9.758 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.372 4.763 -10.982 1.00 0.00 H new ATOM 647 N SER A 43 6.725 9.129 -10.050 1.00 0.00 N ATOM 648 CA SER A 43 7.098 10.283 -9.213 1.00 0.00 C ATOM 649 C SER A 43 6.497 11.640 -9.673 1.00 0.00 C ATOM 650 O SER A 43 5.959 11.807 -10.770 1.00 0.00 O ATOM 651 CB SER A 43 8.651 10.305 -9.121 1.00 0.00 C ATOM 652 OG SER A 43 9.286 10.689 -10.342 1.00 0.00 O ATOM 0 H SER A 43 7.441 8.861 -10.725 1.00 0.00 H new ATOM 0 HA SER A 43 6.658 10.155 -8.224 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.951 10.994 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.005 9.315 -8.832 1.00 0.00 H new ATOM 0 HG SER A 43 9.898 11.435 -10.172 1.00 0.00 H new ATOM 658 N ILE A 44 6.625 12.606 -8.765 1.00 0.00 N ATOM 659 CA ILE A 44 6.250 14.025 -9.009 1.00 0.00 C ATOM 660 C ILE A 44 7.603 14.829 -8.971 1.00 0.00 C ATOM 661 O ILE A 44 8.021 15.227 -7.876 1.00 0.00 O ATOM 662 CB ILE A 44 5.161 14.485 -7.969 1.00 0.00 C ATOM 663 CG1 ILE A 44 3.823 13.698 -8.152 1.00 0.00 C ATOM 664 CG2 ILE A 44 4.856 15.994 -8.106 1.00 0.00 C ATOM 665 CD1 ILE A 44 2.805 13.901 -7.028 1.00 0.00 C ATOM 0 H ILE A 44 6.993 12.440 -7.828 1.00 0.00 H new ATOM 0 HA ILE A 44 5.773 14.197 -9.974 1.00 0.00 H new ATOM 0 HB ILE A 44 5.573 14.279 -6.981 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.367 13.997 -9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.050 12.635 -8.231 1.00 0.00 H new ATOM 0 HG21 ILE A 44 4.100 16.280 -7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.767 16.567 -7.930 1.00 0.00 H new ATOM 0 HG23 ILE A 44 4.485 16.201 -9.110 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.909 13.318 -7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 44 3.237 13.573 -6.082 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.543 14.957 -6.961 1.00 0.00 H new ATOM 677 N PRO A 45 8.332 15.078 -10.096 1.00 0.00 N ATOM 678 CA PRO A 45 9.639 15.830 -10.073 1.00 0.00 C ATOM 679 C PRO A 45 9.523 17.379 -10.211 1.00 0.00 C ATOM 680 O PRO A 45 10.155 18.013 -11.059 1.00 0.00 O ATOM 681 CB PRO A 45 10.371 15.134 -11.252 1.00 0.00 C ATOM 682 CG PRO A 45 9.247 14.882 -12.288 1.00 0.00 C ATOM 683 CD PRO A 45 8.041 14.484 -11.420 1.00 0.00 C ATOM 0 HA PRO A 45 10.159 15.779 -9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.159 15.766 -11.662 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.841 14.202 -10.937 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.039 15.774 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.516 14.091 -12.988 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.109 14.870 -11.833 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.937 13.401 -11.356 1.00 0.00 H new ATOM 691 N ASP A 46 8.734 17.959 -9.303 1.00 0.00 N ATOM 692 CA ASP A 46 8.244 19.355 -9.429 1.00 0.00 C ATOM 693 C ASP A 46 8.834 20.221 -8.268 1.00 0.00 C ATOM 694 O ASP A 46 8.365 20.081 -7.132 1.00 0.00 O ATOM 695 CB ASP A 46 6.697 19.348 -9.421 1.00 0.00 C ATOM 696 CG ASP A 46 6.076 18.773 -10.692 1.00 0.00 C ATOM 697 OD1 ASP A 46 5.897 17.538 -10.770 1.00 0.00 O ATOM 698 OD2 ASP A 46 5.774 19.555 -11.616 1.00 0.00 O ATOM 0 H ASP A 46 8.412 17.486 -8.459 1.00 0.00 H new ATOM 0 HA ASP A 46 8.575 19.797 -10.369 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.350 18.770 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.339 20.368 -9.283 1.00 0.00 H new ATOM 703 N PRO A 47 9.851 21.100 -8.480 1.00 0.00 N ATOM 704 CA PRO A 47 10.450 21.917 -7.373 1.00 0.00 C ATOM 705 C PRO A 47 9.829 23.308 -7.054 1.00 0.00 C ATOM 706 O PRO A 47 10.331 23.967 -6.141 1.00 0.00 O ATOM 707 CB PRO A 47 11.916 22.058 -7.887 1.00 0.00 C ATOM 708 CG PRO A 47 11.751 22.184 -9.420 1.00 0.00 C ATOM 709 CD PRO A 47 10.639 21.170 -9.735 1.00 0.00 C ATOM 0 HA PRO A 47 10.292 21.427 -6.412 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.407 22.934 -7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 47 12.521 21.192 -7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.469 23.195 -9.713 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.675 21.945 -9.946 1.00 0.00 H new ATOM 0 HD2 PRO A 47 10.025 21.498 -10.574 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.050 20.197 -10.003 1.00 0.00 H new ATOM 717 N PHE A 48 8.782 23.763 -7.762 1.00 0.00 N ATOM 718 CA PHE A 48 8.187 25.112 -7.537 1.00 0.00 C ATOM 719 C PHE A 48 7.240 25.147 -6.300 1.00 0.00 C ATOM 720 O PHE A 48 7.624 25.693 -5.264 1.00 0.00 O ATOM 721 CB PHE A 48 7.585 25.577 -8.886 1.00 0.00 C ATOM 722 CG PHE A 48 7.099 27.036 -8.898 1.00 0.00 C ATOM 723 CD1 PHE A 48 8.002 28.090 -9.111 1.00 0.00 C ATOM 724 CD2 PHE A 48 5.745 27.342 -8.689 1.00 0.00 C ATOM 725 CE1 PHE A 48 7.562 29.416 -9.109 1.00 0.00 C ATOM 726 CE2 PHE A 48 5.306 28.667 -8.686 1.00 0.00 C ATOM 727 CZ PHE A 48 6.215 29.701 -8.896 1.00 0.00 C ATOM 0 H PHE A 48 8.323 23.225 -8.497 1.00 0.00 H new ATOM 0 HA PHE A 48 8.940 25.845 -7.249 1.00 0.00 H new ATOM 0 HB2 PHE A 48 8.335 25.451 -9.667 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.748 24.926 -9.140 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.047 27.874 -9.278 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.035 26.544 -8.529 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.265 30.219 -9.272 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.262 28.890 -8.521 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.875 30.726 -8.894 1.00 0.00 H new ATOM 737 N HIS A 49 6.035 24.567 -6.403 1.00 0.00 N ATOM 738 CA HIS A 49 5.144 24.344 -5.232 1.00 0.00 C ATOM 739 C HIS A 49 4.258 23.098 -5.525 1.00 0.00 C ATOM 740 O HIS A 49 3.136 23.213 -6.029 1.00 0.00 O ATOM 741 CB HIS A 49 4.346 25.629 -4.910 1.00 0.00 C ATOM 742 CG HIS A 49 3.481 25.517 -3.643 1.00 0.00 C ATOM 743 ND1 HIS A 49 3.992 25.480 -2.360 1.00 0.00 N ATOM 744 CD2 HIS A 49 2.092 25.282 -3.601 1.00 0.00 C ATOM 745 CE1 HIS A 49 2.859 25.180 -1.650 1.00 0.00 C ATOM 746 NE2 HIS A 49 1.657 25.064 -2.305 1.00 0.00 N ATOM 0 H HIS A 49 5.645 24.239 -7.286 1.00 0.00 H new ATOM 0 HA HIS A 49 5.717 24.132 -4.329 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.043 26.459 -4.792 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.704 25.870 -5.758 1.00 0.00 H new ATOM 0 HD1 HIS A 49 4.946 25.633 -2.033 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.449 25.273 -4.469 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.911 25.035 -0.581 1.00 0.00 H new ATOM 754 N ALA A 50 4.782 21.909 -5.206 1.00 0.00 N ATOM 755 CA ALA A 50 4.068 20.639 -5.451 1.00 0.00 C ATOM 756 C ALA A 50 3.209 20.183 -4.246 1.00 0.00 C ATOM 757 O ALA A 50 3.711 19.821 -3.179 1.00 0.00 O ATOM 758 CB ALA A 50 5.134 19.606 -5.800 1.00 0.00 C ATOM 0 H ALA A 50 5.700 21.794 -4.776 1.00 0.00 H new ATOM 0 HA ALA A 50 3.354 20.767 -6.265 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.659 18.644 -5.992 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.675 19.928 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.831 19.507 -4.968 1.00 0.00 H new ATOM 764 N GLN A 51 1.896 20.176 -4.477 1.00 0.00 N ATOM 765 CA GLN A 51 0.895 19.733 -3.474 1.00 0.00 C ATOM 766 C GLN A 51 0.667 18.176 -3.504 1.00 0.00 C ATOM 767 O GLN A 51 1.476 17.414 -4.040 1.00 0.00 O ATOM 768 CB GLN A 51 -0.383 20.587 -3.713 1.00 0.00 C ATOM 769 CG GLN A 51 -0.233 22.069 -3.293 1.00 0.00 C ATOM 770 CD GLN A 51 -1.515 22.891 -3.389 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.601 22.431 -3.733 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.430 24.157 -3.064 1.00 0.00 N ATOM 0 H GLN A 51 1.484 20.475 -5.361 1.00 0.00 H new ATOM 0 HA GLN A 51 1.246 19.903 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.645 20.544 -4.770 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.212 20.145 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.131 22.107 -2.266 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.529 22.535 -3.918 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.534 24.551 -2.777 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.260 24.749 -3.098 1.00 0.00 H new ATOM 781 N ARG A 52 -0.404 17.705 -2.853 1.00 0.00 N ATOM 782 CA ARG A 52 -0.630 16.267 -2.559 1.00 0.00 C ATOM 783 C ARG A 52 -0.728 15.286 -3.771 1.00 0.00 C ATOM 784 O ARG A 52 -1.293 15.609 -4.819 1.00 0.00 O ATOM 785 CB ARG A 52 -1.844 16.186 -1.589 1.00 0.00 C ATOM 786 CG ARG A 52 -3.276 16.142 -2.131 1.00 0.00 C ATOM 787 CD ARG A 52 -3.750 17.358 -2.925 1.00 0.00 C ATOM 788 NE ARG A 52 -5.133 17.086 -3.379 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.893 17.899 -4.093 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.564 19.126 -4.412 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.035 17.426 -4.490 1.00 0.00 N ATOM 0 H ARG A 52 -1.150 18.309 -2.509 1.00 0.00 H new ATOM 0 HA ARG A 52 0.281 15.887 -2.097 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.706 15.296 -0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.780 17.046 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.371 15.262 -2.768 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.954 16.001 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.720 18.255 -2.306 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.095 17.537 -3.778 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.537 16.187 -3.116 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.670 19.510 -4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.202 19.697 -4.967 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.304 16.472 -4.248 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.663 18.008 -5.044 1.00 0.00 H new ATOM 805 N TRP A 53 -0.242 14.051 -3.564 1.00 0.00 N ATOM 806 CA TRP A 53 -0.567 12.880 -4.455 1.00 0.00 C ATOM 807 C TRP A 53 -1.967 12.378 -4.046 1.00 0.00 C ATOM 808 O TRP A 53 -2.128 11.915 -2.916 1.00 0.00 O ATOM 809 CB TRP A 53 0.602 11.883 -4.310 1.00 0.00 C ATOM 810 CG TRP A 53 0.468 10.324 -4.421 1.00 0.00 C ATOM 811 CD1 TRP A 53 -0.681 9.501 -4.649 1.00 0.00 C ATOM 812 CD2 TRP A 53 1.472 9.400 -4.084 1.00 0.00 C ATOM 813 NE1 TRP A 53 -0.421 8.140 -4.423 1.00 0.00 N ATOM 814 CE2 TRP A 53 0.905 8.097 -4.079 1.00 0.00 C ATOM 815 CE3 TRP A 53 2.825 9.581 -3.633 1.00 0.00 C ATOM 816 CZ2 TRP A 53 1.676 6.983 -3.650 1.00 0.00 C ATOM 817 CZ3 TRP A 53 3.548 8.473 -3.203 1.00 0.00 C ATOM 818 CH2 TRP A 53 2.987 7.186 -3.235 1.00 0.00 C ATOM 0 H TRP A 53 0.381 13.818 -2.790 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.640 13.098 -5.520 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.340 12.175 -5.057 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.043 12.078 -3.333 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.641 9.885 -4.960 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -1.073 7.359 -4.498 1.00 0.00 H new ATOM 0 HE3 TRP A 53 3.274 10.563 -3.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.249 5.991 -3.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.556 8.605 -2.839 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.585 6.339 -2.932 1.00 0.00 H new ATOM 829 N ASP A 54 -2.959 12.477 -4.946 1.00 0.00 N ATOM 830 CA ASP A 54 -4.383 12.246 -4.587 1.00 0.00 C ATOM 831 C ASP A 54 -5.046 11.189 -5.518 1.00 0.00 C ATOM 832 O ASP A 54 -5.779 11.524 -6.455 1.00 0.00 O ATOM 833 CB ASP A 54 -5.108 13.618 -4.630 1.00 0.00 C ATOM 834 CG ASP A 54 -6.299 13.760 -3.688 1.00 0.00 C ATOM 835 OD1 ASP A 54 -6.694 12.785 -3.011 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.813 14.896 -3.580 1.00 0.00 O ATOM 0 H ASP A 54 -2.810 12.714 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.458 11.829 -3.583 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.385 14.399 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.450 13.797 -5.649 1.00 0.00 H new ATOM 841 N TYR A 55 -4.803 9.896 -5.251 1.00 0.00 N ATOM 842 CA TYR A 55 -5.504 8.806 -5.973 1.00 0.00 C ATOM 843 C TYR A 55 -6.576 8.136 -5.059 1.00 0.00 C ATOM 844 O TYR A 55 -6.237 7.547 -4.031 1.00 0.00 O ATOM 845 CB TYR A 55 -4.510 7.718 -6.459 1.00 0.00 C ATOM 846 CG TYR A 55 -3.389 8.159 -7.411 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.575 9.070 -8.474 1.00 0.00 C ATOM 848 CD2 TYR A 55 -2.117 7.630 -7.207 1.00 0.00 C ATOM 849 CE1 TYR A 55 -2.496 9.458 -9.272 1.00 0.00 C ATOM 850 CE2 TYR A 55 -1.033 8.050 -7.980 1.00 0.00 C ATOM 851 CZ TYR A 55 -1.221 8.956 -9.016 1.00 0.00 C ATOM 852 OH TYR A 55 -0.163 9.379 -9.762 1.00 0.00 O ATOM 0 H TYR A 55 -4.135 9.575 -4.550 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.989 9.257 -6.838 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.048 7.267 -5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.084 6.935 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.559 9.470 -8.671 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.967 6.884 -6.440 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.650 10.148 -10.089 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.044 7.669 -7.772 1.00 0.00 H new ATOM 0 HH TYR A 55 0.654 8.933 -9.454 1.00 0.00 H new ATOM 862 N THR A 56 -7.846 8.159 -5.480 1.00 0.00 N ATOM 863 CA THR A 56 -8.873 7.192 -4.984 1.00 0.00 C ATOM 864 C THR A 56 -9.304 6.305 -6.190 1.00 0.00 C ATOM 865 O THR A 56 -10.230 6.641 -6.933 1.00 0.00 O ATOM 866 CB THR A 56 -10.024 7.965 -4.299 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.508 8.709 -3.198 1.00 0.00 O ATOM 868 CG2 THR A 56 -11.103 7.058 -3.711 1.00 0.00 C ATOM 0 H THR A 56 -8.202 8.829 -6.161 1.00 0.00 H new ATOM 0 HA THR A 56 -8.486 6.523 -4.216 1.00 0.00 H new ATOM 0 HB THR A 56 -10.460 8.589 -5.079 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.237 9.200 -2.765 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.878 7.668 -3.247 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.543 6.454 -4.505 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.659 6.403 -2.961 1.00 0.00 H new ATOM 1095 N LYS A 70 -4.947 1.826 -5.860 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.241 3.017 -5.322 1.00 0.00 C ATOM 1097 C LYS A 70 -5.315 3.964 -4.704 1.00 0.00 C ATOM 1098 O LYS A 70 -5.841 4.861 -5.372 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.364 3.669 -6.418 1.00 0.00 C ATOM 1100 CG LYS A 70 -1.975 2.995 -6.534 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.088 3.655 -7.601 1.00 0.00 C ATOM 1102 CE LYS A 70 0.425 3.450 -7.380 1.00 0.00 C ATOM 1103 NZ LYS A 70 0.947 2.143 -7.860 1.00 0.00 N ATOM 0 HA LYS A 70 -3.540 2.751 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.878 3.606 -7.377 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.234 4.728 -6.195 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.471 3.040 -5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.106 1.940 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.358 3.257 -8.579 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.299 4.724 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.965 4.250 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.640 3.544 -6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.969 2.088 -7.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.461 1.371 -7.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.777 2.055 -8.882 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.627 3.699 -3.425 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.466 4.567 -2.563 1.00 0.00 C ATOM 1119 C ASN A 71 -5.575 5.226 -1.467 1.00 0.00 C ATOM 1120 O ASN A 71 -5.425 4.708 -0.356 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.694 3.784 -2.040 1.00 0.00 C ATOM 1122 CG ASN A 71 -7.468 2.650 -1.046 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -6.567 1.827 -1.185 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.262 2.574 -0.004 1.00 0.00 N ATOM 0 H ASN A 71 -5.300 2.860 -2.946 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.891 5.394 -3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.370 4.501 -1.575 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.214 3.369 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.129 1.834 0.685 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.012 3.255 0.116 1.00 0.00 H new ATOM 1131 N PHE A 72 -4.910 6.329 -1.830 1.00 0.00 N ATOM 1132 CA PHE A 72 -3.814 6.913 -1.013 1.00 0.00 C ATOM 1133 C PHE A 72 -3.707 8.428 -1.328 1.00 0.00 C ATOM 1134 O PHE A 72 -3.173 8.815 -2.375 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.509 6.138 -1.329 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.392 6.269 -0.285 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.443 5.546 0.920 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.238 7.010 -0.572 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.354 5.540 1.794 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.855 6.997 0.298 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.796 6.260 1.476 1.00 0.00 C ATOM 0 H PHE A 72 -5.106 6.845 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.008 6.819 0.056 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.753 5.082 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.126 6.482 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.334 4.990 1.172 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.193 7.598 -1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.403 4.978 2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.745 7.559 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.643 6.246 2.146 1.00 0.00 H new ATOM 1151 N THR A 73 -4.208 9.273 -0.415 1.00 0.00 N ATOM 1152 CA THR A 73 -4.014 10.746 -0.503 1.00 0.00 C ATOM 1153 C THR A 73 -2.867 11.141 0.469 1.00 0.00 C ATOM 1154 O THR A 73 -3.052 11.168 1.689 1.00 0.00 O ATOM 1155 CB THR A 73 -5.339 11.513 -0.264 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.290 11.143 -1.257 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.173 13.026 -0.392 1.00 0.00 C ATOM 0 H THR A 73 -4.751 8.972 0.395 1.00 0.00 H new ATOM 0 HA THR A 73 -3.716 11.035 -1.511 1.00 0.00 H new ATOM 0 HB THR A 73 -5.659 11.258 0.747 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.077 11.597 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.132 13.513 -0.215 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.447 13.376 0.342 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.822 13.270 -1.395 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.683 11.422 -0.087 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.466 11.771 0.704 1.00 0.00 C ATOM 1167 C VAL A 74 -0.045 13.238 0.439 1.00 0.00 C ATOM 1168 O VAL A 74 0.138 13.673 -0.702 1.00 0.00 O ATOM 1169 CB VAL A 74 0.658 10.714 0.535 1.00 0.00 C ATOM 1170 CG1 VAL A 74 1.122 10.473 -0.897 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.920 11.035 1.369 1.00 0.00 C ATOM 0 H VAL A 74 -1.527 11.418 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.703 11.729 1.767 1.00 0.00 H new ATOM 0 HB VAL A 74 0.167 9.810 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.908 9.718 -0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.282 10.126 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.509 11.402 -1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.669 10.260 1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.324 11.999 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.658 11.072 2.426 1.00 0.00 H new ATOM 1181 N PHE A 75 0.099 13.987 1.535 1.00 0.00 N ATOM 1182 CA PHE A 75 0.173 15.461 1.513 1.00 0.00 C ATOM 1183 C PHE A 75 1.637 15.957 1.464 1.00 0.00 C ATOM 1184 O PHE A 75 2.476 15.556 2.276 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.597 16.023 2.740 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.130 15.891 2.604 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.865 16.862 1.908 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.809 14.773 3.116 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.240 16.716 1.721 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.186 14.631 2.938 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.900 15.605 2.242 1.00 0.00 C ATOM 0 H PHE A 75 0.169 13.591 2.472 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.299 15.833 0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.271 15.498 3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.339 17.074 2.874 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.361 17.732 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.259 14.015 3.654 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.793 17.464 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.697 13.768 3.339 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.966 15.498 2.106 1.00 0.00 H new ATOM 1201 N PHE A 76 1.919 16.834 0.498 1.00 0.00 N ATOM 1202 CA PHE A 76 3.267 17.416 0.293 1.00 0.00 C ATOM 1203 C PHE A 76 3.185 18.968 0.400 1.00 0.00 C ATOM 1204 O PHE A 76 2.249 19.581 -0.127 1.00 0.00 O ATOM 1205 CB PHE A 76 3.848 17.018 -1.093 1.00 0.00 C ATOM 1206 CG PHE A 76 3.988 15.506 -1.353 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.692 14.667 -0.472 1.00 0.00 C ATOM 1208 CD2 PHE A 76 3.383 14.934 -2.477 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.739 13.291 -0.685 1.00 0.00 C ATOM 1210 CE2 PHE A 76 3.468 13.561 -2.714 1.00 0.00 C ATOM 1211 CZ PHE A 76 4.133 12.742 -1.810 1.00 0.00 C ATOM 0 H PHE A 76 1.225 17.168 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 76 3.930 17.024 1.064 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.211 17.443 -1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.830 17.478 -1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.202 15.094 0.379 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.843 15.562 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.245 12.651 0.023 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.017 13.136 -3.599 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.179 11.677 -1.981 1.00 0.00 H new ATOM 1221 N GLU A 77 4.175 19.597 1.054 1.00 0.00 N ATOM 1222 CA GLU A 77 4.286 21.093 1.056 1.00 0.00 C ATOM 1223 C GLU A 77 4.915 21.617 -0.270 1.00 0.00 C ATOM 1224 O GLU A 77 4.258 22.311 -1.047 1.00 0.00 O ATOM 1225 CB GLU A 77 5.014 21.503 2.356 1.00 0.00 C ATOM 1226 CG GLU A 77 5.168 23.014 2.604 1.00 0.00 C ATOM 1227 CD GLU A 77 3.874 23.788 2.783 1.00 0.00 C ATOM 1228 OE1 GLU A 77 3.294 23.740 3.889 1.00 0.00 O ATOM 1229 OE2 GLU A 77 3.441 24.459 1.822 1.00 0.00 O ATOM 0 H GLU A 77 4.904 19.118 1.583 1.00 0.00 H new ATOM 0 HA GLU A 77 3.309 21.576 1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.476 21.071 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.008 21.055 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.781 23.157 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.716 23.447 1.767 1.00 0.00 H new ATOM 1236 N ASN A 78 6.166 21.218 -0.543 1.00 0.00 N ATOM 1237 CA ASN A 78 6.719 21.208 -1.921 1.00 0.00 C ATOM 1238 C ASN A 78 7.380 19.818 -2.141 1.00 0.00 C ATOM 1239 O ASN A 78 6.717 18.910 -2.648 1.00 0.00 O ATOM 1240 CB ASN A 78 7.580 22.473 -2.099 1.00 0.00 C ATOM 1241 CG ASN A 78 8.192 22.667 -3.475 1.00 0.00 C ATOM 1242 OD1 ASN A 78 7.700 22.197 -4.497 1.00 0.00 O ATOM 1243 ND2 ASN A 78 9.277 23.396 -3.543 1.00 0.00 N ATOM 0 H ASN A 78 6.822 20.896 0.169 1.00 0.00 H new ATOM 0 HA ASN A 78 5.987 21.287 -2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.965 23.343 -1.869 1.00 0.00 H new ATOM 0 HB3 ASN A 78 8.385 22.448 -1.364 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.716 23.575 -4.446 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.684 23.785 -2.693 1.00 0.00 H new ATOM 1250 N GLU A 79 8.636 19.623 -1.712 1.00 0.00 N ATOM 1251 CA GLU A 79 9.273 18.275 -1.659 1.00 0.00 C ATOM 1252 C GLU A 79 8.982 17.460 -0.359 1.00 0.00 C ATOM 1253 O GLU A 79 8.949 16.231 -0.433 1.00 0.00 O ATOM 1254 CB GLU A 79 10.775 18.485 -1.963 1.00 0.00 C ATOM 1255 CG GLU A 79 11.656 17.239 -2.175 1.00 0.00 C ATOM 1256 CD GLU A 79 11.330 16.313 -3.335 1.00 0.00 C ATOM 1257 OE1 GLU A 79 11.115 16.789 -4.469 1.00 0.00 O ATOM 1258 OE2 GLU A 79 11.292 15.081 -3.127 1.00 0.00 O ATOM 0 H GLU A 79 9.243 20.378 -1.393 1.00 0.00 H new ATOM 0 HA GLU A 79 8.825 17.626 -2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.850 19.102 -2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.204 19.060 -1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 79 12.685 17.577 -2.299 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.622 16.649 -1.259 1.00 0.00 H new ATOM 1265 N GLN A 80 8.767 18.103 0.806 1.00 0.00 N ATOM 1266 CA GLN A 80 8.633 17.395 2.105 1.00 0.00 C ATOM 1267 C GLN A 80 7.222 16.804 2.380 1.00 0.00 C ATOM 1268 O GLN A 80 6.199 17.395 2.017 1.00 0.00 O ATOM 1269 CB GLN A 80 9.145 18.296 3.259 1.00 0.00 C ATOM 1270 CG GLN A 80 8.323 19.559 3.577 1.00 0.00 C ATOM 1271 CD GLN A 80 8.886 20.363 4.741 1.00 0.00 C ATOM 1272 OE1 GLN A 80 9.729 21.236 4.577 1.00 0.00 O ATOM 1273 NE2 GLN A 80 8.444 20.109 5.950 1.00 0.00 N ATOM 0 H GLN A 80 8.681 19.117 0.879 1.00 0.00 H new ATOM 0 HA GLN A 80 9.269 16.512 2.044 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.199 17.690 4.164 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.163 18.605 3.021 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.285 20.193 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.298 19.269 3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 80 7.742 19.383 6.094 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.802 20.637 6.746 1.00 0.00 H new ATOM 1282 N VAL A 81 7.189 15.643 3.049 1.00 0.00 N ATOM 1283 CA VAL A 81 5.935 14.874 3.277 1.00 0.00 C ATOM 1284 C VAL A 81 5.286 15.285 4.642 1.00 0.00 C ATOM 1285 O VAL A 81 5.947 15.294 5.683 1.00 0.00 O ATOM 1286 CB VAL A 81 6.183 13.324 3.223 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.850 12.561 3.063 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.154 12.835 2.131 1.00 0.00 C ATOM 0 H VAL A 81 8.019 15.204 3.449 1.00 0.00 H new ATOM 0 HA VAL A 81 5.244 15.119 2.470 1.00 0.00 H new ATOM 0 HB VAL A 81 6.663 13.109 4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.046 11.489 3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.200 12.783 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.362 12.871 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.249 11.751 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.769 13.115 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.131 13.293 2.282 1.00 0.00 H new ATOM 1298 N VAL A 82 3.986 15.594 4.618 1.00 0.00 N ATOM 1299 CA VAL A 82 3.213 15.957 5.842 1.00 0.00 C ATOM 1300 C VAL A 82 2.570 14.662 6.448 1.00 0.00 C ATOM 1301 O VAL A 82 3.029 14.215 7.500 1.00 0.00 O ATOM 1302 CB VAL A 82 2.214 17.123 5.542 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.411 17.555 6.789 1.00 0.00 C ATOM 1304 CG2 VAL A 82 2.913 18.401 5.009 1.00 0.00 C ATOM 0 H VAL A 82 3.430 15.604 3.763 1.00 0.00 H new ATOM 0 HA VAL A 82 3.869 16.357 6.615 1.00 0.00 H new ATOM 0 HB VAL A 82 1.553 16.707 4.781 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.734 18.367 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.834 16.709 7.161 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.098 17.895 7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.166 19.172 4.820 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.627 18.761 5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.437 18.169 4.082 1.00 0.00 H new ATOM 1314 N ARG A 83 1.538 14.073 5.808 1.00 0.00 N ATOM 1315 CA ARG A 83 0.912 12.797 6.268 1.00 0.00 C ATOM 1316 C ARG A 83 0.107 12.080 5.132 1.00 0.00 C ATOM 1317 O ARG A 83 -0.185 12.663 4.084 1.00 0.00 O ATOM 1318 CB ARG A 83 0.133 12.953 7.600 1.00 0.00 C ATOM 1319 CG ARG A 83 -1.070 13.899 7.687 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.369 13.527 6.964 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.902 12.213 7.401 1.00 0.00 N ATOM 1322 CZ ARG A 83 -4.159 11.805 7.275 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -5.146 12.580 6.908 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -4.418 10.555 7.525 1.00 0.00 N ATOM 0 H ARG A 83 1.112 14.457 4.965 1.00 0.00 H new ATOM 0 HA ARG A 83 1.730 12.117 6.507 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.215 11.961 7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.849 13.272 8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.308 14.030 8.743 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.751 14.870 7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.117 14.299 7.146 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.190 13.504 5.889 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.245 11.566 7.837 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.972 13.563 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.090 12.202 6.831 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.667 9.925 7.807 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.372 10.205 7.439 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.238 10.804 5.359 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.907 9.931 4.353 1.00 0.00 C ATOM 1340 C TRP A 84 -2.274 9.350 4.836 1.00 0.00 C ATOM 1341 O TRP A 84 -2.434 8.969 6.000 1.00 0.00 O ATOM 1342 CB TRP A 84 0.037 8.827 3.824 1.00 0.00 C ATOM 1343 CG TRP A 84 0.919 8.047 4.830 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.612 6.832 5.489 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.190 8.401 5.292 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.638 6.443 6.366 1.00 0.00 N ATOM 1347 CE2 TRP A 84 2.603 7.424 6.231 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.045 9.517 4.995 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 3.866 7.556 6.886 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.266 9.619 5.646 1.00 0.00 C ATOM 1351 CH2 TRP A 84 4.672 8.650 6.582 1.00 0.00 C ATOM 0 H TRP A 84 -0.064 10.335 6.248 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.148 10.585 3.515 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.574 8.100 3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.701 9.285 3.091 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.299 6.273 5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.665 5.620 6.968 1.00 0.00 H new ATOM 0 HE3 TRP A 84 2.742 10.264 4.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.190 6.819 7.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.915 10.455 5.431 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.627 8.757 7.074 1.00 0.00 H new ATOM 1362 N GLU A 85 -3.236 9.294 3.900 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.635 8.883 4.166 1.00 0.00 C ATOM 1364 C GLU A 85 -5.054 7.705 3.226 1.00 0.00 C ATOM 1365 O GLU A 85 -5.099 7.859 2.000 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.536 10.128 3.908 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.986 10.012 4.427 1.00 0.00 C ATOM 1368 CD GLU A 85 -7.121 10.240 5.918 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -6.746 9.350 6.708 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -7.449 11.373 6.325 1.00 0.00 O ATOM 0 H GLU A 85 -3.067 9.535 2.923 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.741 8.532 5.193 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.069 10.996 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.566 10.319 2.835 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.609 10.735 3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.371 9.022 4.184 1.00 0.00 H new ATOM 1377 N GLY A 86 -5.411 6.563 3.824 1.00 0.00 N ATOM 1378 CA GLY A 86 -6.138 5.480 3.121 1.00 0.00 C ATOM 1379 C GLY A 86 -5.583 4.070 3.374 1.00 0.00 C ATOM 1380 O GLY A 86 -5.545 3.610 4.519 1.00 0.00 O ATOM 0 H GLY A 86 -5.210 6.356 4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -7.184 5.505 3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -6.113 5.679 2.050 1.00 0.00 H new ATOM 1384 N ASP A 87 -5.203 3.382 2.292 1.00 0.00 N ATOM 1385 CA ASP A 87 -4.609 2.021 2.358 1.00 0.00 C ATOM 1386 C ASP A 87 -3.421 1.878 1.351 1.00 0.00 C ATOM 1387 O ASP A 87 -2.303 1.629 1.805 1.00 0.00 O ATOM 1388 CB ASP A 87 -5.638 0.893 2.112 1.00 0.00 C ATOM 1389 CG ASP A 87 -6.548 0.568 3.270 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -7.629 1.183 3.404 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -6.207 -0.329 4.069 1.00 0.00 O ATOM 0 H ASP A 87 -5.294 3.743 1.342 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.242 1.907 3.378 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.255 1.170 1.257 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.097 -0.012 1.835 1.00 0.00 H new ATOM 1396 N TYR A 88 -3.684 1.972 0.023 1.00 0.00 N ATOM 1397 CA TYR A 88 -2.741 1.529 -1.053 1.00 0.00 C ATOM 1398 C TYR A 88 -2.621 -0.026 -1.059 1.00 0.00 C ATOM 1399 O TYR A 88 -1.826 -0.615 -0.324 1.00 0.00 O ATOM 1400 CB TYR A 88 -1.423 2.306 -0.983 1.00 0.00 C ATOM 1401 CG TYR A 88 -0.503 2.390 -2.197 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -0.441 1.444 -3.247 1.00 0.00 C ATOM 1403 CD2 TYR A 88 0.514 3.337 -2.097 1.00 0.00 C ATOM 1404 CE1 TYR A 88 0.662 1.414 -4.106 1.00 0.00 C ATOM 1405 CE2 TYR A 88 1.610 3.304 -2.957 1.00 0.00 C ATOM 1406 CZ TYR A 88 1.697 2.332 -3.946 1.00 0.00 C ATOM 1407 OH TYR A 88 2.823 2.229 -4.704 1.00 0.00 O ATOM 0 H TYR A 88 -4.556 2.357 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.139 1.780 -2.036 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.668 3.328 -0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.840 1.876 -0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.249 0.742 -3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 88 0.452 4.107 -1.343 1.00 0.00 H new ATOM 0 HE1 TYR A 88 0.711 0.678 -4.895 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.396 4.038 -2.854 1.00 0.00 H new ATOM 0 HH TYR A 88 2.925 3.036 -5.250 1.00 0.00 H new ATOM 1667 N GLY A 105 -9.501 -5.579 -2.565 1.00 0.00 N ATOM 1668 CA GLY A 105 -9.622 -4.489 -1.571 1.00 0.00 C ATOM 1669 C GLY A 105 -10.551 -4.797 -0.385 1.00 0.00 C ATOM 1670 O GLY A 105 -11.706 -4.368 -0.391 1.00 0.00 O ATOM 0 HA2 GLY A 105 -8.629 -4.256 -1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -9.986 -3.594 -2.076 1.00 0.00 H new ATOM 1674 N ARG A 106 -10.040 -5.490 0.645 1.00 0.00 N ATOM 1675 CA ARG A 106 -10.779 -5.697 1.924 1.00 0.00 C ATOM 1676 C ARG A 106 -9.783 -5.717 3.131 1.00 0.00 C ATOM 1677 O ARG A 106 -9.306 -6.779 3.543 1.00 0.00 O ATOM 1678 CB ARG A 106 -11.642 -6.981 1.798 1.00 0.00 C ATOM 1679 CG ARG A 106 -12.801 -7.136 2.805 1.00 0.00 C ATOM 1680 CD ARG A 106 -12.388 -7.587 4.210 1.00 0.00 C ATOM 1681 NE ARG A 106 -13.600 -7.762 5.050 1.00 0.00 N ATOM 1682 CZ ARG A 106 -13.602 -8.169 6.316 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -12.520 -8.506 6.973 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -14.742 -8.239 6.939 1.00 0.00 N ATOM 0 H ARG A 106 -9.116 -5.922 0.627 1.00 0.00 H new ATOM 0 HA ARG A 106 -11.459 -4.869 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -12.059 -7.014 0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.985 -7.845 1.899 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -13.321 -6.182 2.885 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -13.515 -7.856 2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -11.833 -8.523 4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.724 -6.849 4.660 1.00 0.00 H new ATOM 0 HE ARG A 106 -14.502 -7.554 4.622 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.610 -8.464 6.513 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.587 -8.811 7.944 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -15.604 -7.985 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.774 -8.548 7.911 1.00 0.00 H new ATOM 1698 N ASN A 107 -9.528 -4.543 3.733 1.00 0.00 N ATOM 1699 CA ASN A 107 -8.766 -4.427 5.013 1.00 0.00 C ATOM 1700 C ASN A 107 -9.681 -3.754 6.079 1.00 0.00 C ATOM 1701 O ASN A 107 -9.733 -2.522 6.185 1.00 0.00 O ATOM 1702 CB ASN A 107 -7.461 -3.648 4.725 1.00 0.00 C ATOM 1703 CG ASN A 107 -6.545 -3.383 5.916 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -6.229 -4.242 6.736 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -6.067 -2.174 6.048 1.00 0.00 N ATOM 0 H ASN A 107 -9.837 -3.646 3.358 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.479 -5.397 5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.894 -4.200 3.975 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.728 -2.689 4.281 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.441 -1.955 6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.320 -1.450 5.376 1.00 0.00 H new ATOM 1712 N LEU A 108 -10.375 -4.575 6.880 1.00 0.00 N ATOM 1713 CA LEU A 108 -11.203 -4.082 8.021 1.00 0.00 C ATOM 1714 C LEU A 108 -10.698 -4.631 9.393 1.00 0.00 C ATOM 1715 O LEU A 108 -11.419 -5.295 10.141 1.00 0.00 O ATOM 1716 CB LEU A 108 -12.678 -4.401 7.679 1.00 0.00 C ATOM 1717 CG LEU A 108 -13.752 -3.721 8.559 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -13.821 -2.203 8.348 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -15.132 -4.328 8.235 1.00 0.00 C ATOM 0 H LEU A 108 -10.388 -5.589 6.769 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.111 -3.004 8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.857 -4.117 6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.818 -5.480 7.743 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.474 -3.898 9.598 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -14.592 -1.781 8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.858 -1.757 8.595 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.062 -1.991 7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -15.893 -3.852 8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.364 -4.163 7.183 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.116 -5.398 8.440 1.00 0.00 H new ATOM 1731 N ALA A 109 -9.439 -4.295 9.713 1.00 0.00 N ATOM 1732 CA ALA A 109 -8.796 -4.629 11.003 1.00 0.00 C ATOM 1733 C ALA A 109 -7.570 -3.704 11.199 1.00 0.00 C ATOM 1734 O ALA A 109 -6.512 -3.879 10.582 1.00 0.00 O ATOM 1735 CB ALA A 109 -8.399 -6.105 11.012 1.00 0.00 C ATOM 0 H ALA A 109 -8.828 -3.778 9.080 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.487 -4.469 11.831 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -7.926 -6.349 11.963 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -9.288 -6.722 10.881 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -7.700 -6.299 10.199 1.00 0.00 H new ATOM 1741 N ARG A 110 -7.734 -2.715 12.077 1.00 0.00 N ATOM 1742 CA ARG A 110 -6.816 -1.542 12.145 1.00 0.00 C ATOM 1743 C ARG A 110 -6.557 -1.156 13.640 1.00 0.00 C ATOM 1744 O ARG A 110 -7.410 -0.539 14.282 1.00 0.00 O ATOM 1745 CB ARG A 110 -7.380 -0.326 11.339 1.00 0.00 C ATOM 1746 CG ARG A 110 -7.634 -0.610 9.842 1.00 0.00 C ATOM 1747 CD ARG A 110 -8.053 0.627 9.033 1.00 0.00 C ATOM 1748 NE ARG A 110 -8.597 0.155 7.733 1.00 0.00 N ATOM 1749 CZ ARG A 110 -8.355 0.675 6.538 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -7.632 1.741 6.311 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -8.858 0.071 5.507 1.00 0.00 N ATOM 0 H ARG A 110 -8.492 -2.688 12.759 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.868 -1.819 11.684 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -8.315 -0.005 11.798 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.681 0.506 11.424 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.728 -1.028 9.403 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -8.411 -1.369 9.754 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.804 1.202 9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.200 1.286 8.874 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.220 -0.652 7.763 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.202 2.241 7.089 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -7.498 2.072 5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.417 -0.773 5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -8.695 0.440 4.570 1.00 0.00 H new ATOM 1765 N ASP A 111 -5.386 -1.536 14.167 1.00 0.00 N ATOM 1766 CA ASP A 111 -4.954 -1.200 15.546 1.00 0.00 C ATOM 1767 C ASP A 111 -3.463 -0.647 15.518 1.00 0.00 C ATOM 1768 O ASP A 111 -2.660 -1.018 14.659 1.00 0.00 O ATOM 1769 CB ASP A 111 -4.979 -2.447 16.463 1.00 0.00 C ATOM 1770 CG ASP A 111 -6.327 -3.071 16.802 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -7.163 -2.426 17.473 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -6.531 -4.262 16.474 1.00 0.00 O ATOM 0 H ASP A 111 -4.701 -2.089 13.652 1.00 0.00 H new ATOM 0 HA ASP A 111 -5.644 -0.451 15.934 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.366 -3.216 15.994 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -4.492 -2.179 17.401 1.00 0.00 H new ATOM 1777 N LYS A 112 -3.116 0.193 16.504 1.00 0.00 N ATOM 1778 CA LYS A 112 -1.692 0.465 16.875 1.00 0.00 C ATOM 1779 C LYS A 112 -1.684 0.728 18.415 1.00 0.00 C ATOM 1780 O LYS A 112 -1.977 1.828 18.887 1.00 0.00 O ATOM 1781 CB LYS A 112 -1.078 1.611 16.037 1.00 0.00 C ATOM 1782 CG LYS A 112 0.436 1.778 16.303 1.00 0.00 C ATOM 1783 CD LYS A 112 1.076 2.893 15.459 1.00 0.00 C ATOM 1784 CE LYS A 112 2.554 3.095 15.849 1.00 0.00 C ATOM 1785 NZ LYS A 112 3.171 4.118 14.968 1.00 0.00 N ATOM 0 H LYS A 112 -3.794 0.704 17.069 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.050 -0.385 16.646 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.240 1.412 14.978 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.592 2.544 16.268 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.592 1.995 17.360 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.942 0.836 16.093 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.006 2.640 14.401 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.527 3.824 15.602 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.625 3.408 16.891 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.095 2.153 15.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.053 4.461 15.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.379 3.697 14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.513 4.914 14.847 1.00 0.00 H new