USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 616 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.278 K(o=0.28,f=-2.3!) USER MOD Single : A 33 SER OG : rot -15:sc= 0.54 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -46:sc= 1.03 USER MOD Single : A 57 SER OG : rot -97:sc= 1.22 USER MOD Single : A 62 SER OG : rot -60:sc= -0.073 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.6) USER MOD Single : A 74 ASN : amide:sc= 0.223 K(o=0.22,f=-0.69) USER MOD Single : A 77 SER OG : rot 180:sc= 0.1 USER MOD Single : A 80 ASN : amide:sc= 0.308 K(o=0.31,f=-5.6!) USER MOD Single : A 83 HIS : no HD1:sc= -0.383 X(o=-0.38,f=0.011) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= -0.505 (180deg=-0.768) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -116:sc= 0.334 USER MOD Single : A 95 HIS : no HE2:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 99 THR OG1 : rot 74:sc= 0.197 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N GLU A 21 -6.294 11.264 6.693 1.00 0.00 N ATOM 272 CA GLU A 21 -5.899 10.108 5.896 1.00 0.00 C ATOM 273 C GLU A 21 -7.124 9.354 5.390 1.00 0.00 C ATOM 274 O GLU A 21 -8.147 9.279 6.071 1.00 0.00 O ATOM 275 CB GLU A 21 -5.014 9.172 6.720 1.00 0.00 C ATOM 276 CG GLU A 21 -3.530 9.478 6.600 1.00 0.00 C ATOM 277 CD GLU A 21 -2.827 9.493 7.943 1.00 0.00 C ATOM 278 OE1 GLU A 21 -2.807 8.439 8.615 1.00 0.00 O ATOM 279 OE2 GLU A 21 -2.296 10.557 8.325 1.00 0.00 O ATOM 0 HA GLU A 21 -5.333 10.467 5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.307 9.237 7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.192 8.144 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.060 8.734 5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.400 10.446 6.115 1.00 0.00 H new ATOM 286 N LYS A 22 -7.015 8.798 4.187 1.00 0.00 N ATOM 287 CA LYS A 22 -8.114 8.049 3.588 1.00 0.00 C ATOM 288 C LYS A 22 -7.678 6.631 3.234 1.00 0.00 C ATOM 289 O LYS A 22 -6.727 6.433 2.479 1.00 0.00 O ATOM 290 CB LYS A 22 -8.621 8.766 2.335 1.00 0.00 C ATOM 291 CG LYS A 22 -9.846 8.113 1.714 1.00 0.00 C ATOM 292 CD LYS A 22 -10.347 8.897 0.511 1.00 0.00 C ATOM 293 CE LYS A 22 -10.456 8.017 -0.725 1.00 0.00 C ATOM 294 NZ LYS A 22 -11.791 7.366 -0.827 1.00 0.00 N ATOM 0 H LYS A 22 -6.177 8.852 3.608 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.921 7.989 4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.860 9.799 2.589 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.821 8.796 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.602 7.095 1.410 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.639 8.042 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.322 9.329 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.670 9.727 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.276 8.619 -1.616 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.680 7.252 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.825 6.775 -1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.952 6.772 0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.530 8.096 -0.881 1.00 0.00 H new ATOM 308 N LYS A 23 -8.382 5.647 3.785 1.00 0.00 N ATOM 309 CA LYS A 23 -8.068 4.246 3.528 1.00 0.00 C ATOM 310 C LYS A 23 -8.937 3.691 2.403 1.00 0.00 C ATOM 311 O LYS A 23 -10.102 4.065 2.264 1.00 0.00 O ATOM 312 CB LYS A 23 -8.263 3.416 4.800 1.00 0.00 C ATOM 313 CG LYS A 23 -7.026 2.631 5.208 1.00 0.00 C ATOM 314 CD LYS A 23 -6.243 3.349 6.295 1.00 0.00 C ATOM 315 CE LYS A 23 -6.552 2.784 7.672 1.00 0.00 C ATOM 316 NZ LYS A 23 -7.889 3.218 8.163 1.00 0.00 N ATOM 0 H LYS A 23 -9.173 5.794 4.412 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.024 4.183 3.219 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.549 4.079 5.617 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.090 2.722 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.321 1.644 5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.387 2.479 4.338 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.175 3.259 6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.482 4.412 6.275 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.515 1.695 7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.785 3.105 8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -8.062 2.812 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.917 4.256 8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.624 2.890 7.504 1.00 0.00 H new ATOM 330 N VAL A 24 -8.364 2.799 1.603 1.00 0.00 N ATOM 331 CA VAL A 24 -9.086 2.193 0.492 1.00 0.00 C ATOM 332 C VAL A 24 -8.959 0.673 0.517 1.00 0.00 C ATOM 333 O VAL A 24 -7.970 0.115 0.041 1.00 0.00 O ATOM 334 CB VAL A 24 -8.574 2.716 -0.864 1.00 0.00 C ATOM 335 CG1 VAL A 24 -9.464 2.229 -1.997 1.00 0.00 C ATOM 336 CG2 VAL A 24 -8.493 4.235 -0.854 1.00 0.00 C ATOM 0 H VAL A 24 -7.401 2.480 1.704 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.134 2.470 0.608 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.571 2.323 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.086 2.609 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.464 1.139 -2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.481 2.589 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.130 4.586 -1.820 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.483 4.651 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.809 4.558 -0.069 1.00 0.00 H new ATOM 346 N ASN A 25 -9.965 0.010 1.077 1.00 0.00 N ATOM 347 CA ASN A 25 -9.967 -1.446 1.165 1.00 0.00 C ATOM 348 C ASN A 25 -10.587 -2.067 -0.082 1.00 0.00 C ATOM 349 O ASN A 25 -11.716 -1.748 -0.450 1.00 0.00 O ATOM 350 CB ASN A 25 -10.730 -1.901 2.410 1.00 0.00 C ATOM 351 CG ASN A 25 -12.115 -1.290 2.495 1.00 0.00 C ATOM 352 OD1 ASN A 25 -12.264 -0.094 2.742 1.00 0.00 O ATOM 353 ND2 ASN A 25 -13.138 -2.112 2.290 1.00 0.00 N ATOM 0 H ASN A 25 -10.790 0.458 1.477 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.933 -1.782 1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.815 -2.988 2.404 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.162 -1.631 3.300 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.094 -1.758 2.335 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.968 -3.097 2.088 1.00 0.00 H new ATOM 360 N LEU A 26 -9.839 -2.957 -0.728 1.00 0.00 N ATOM 361 CA LEU A 26 -10.316 -3.624 -1.933 1.00 0.00 C ATOM 362 C LEU A 26 -10.143 -5.135 -1.824 1.00 0.00 C ATOM 363 O LEU A 26 -9.069 -5.624 -1.475 1.00 0.00 O ATOM 364 CB LEU A 26 -9.565 -3.102 -3.160 1.00 0.00 C ATOM 365 CG LEU A 26 -9.928 -1.678 -3.585 1.00 0.00 C ATOM 366 CD1 LEU A 26 -8.890 -1.129 -4.551 1.00 0.00 C ATOM 367 CD2 LEU A 26 -11.313 -1.648 -4.214 1.00 0.00 C ATOM 0 H LEU A 26 -8.901 -3.232 -0.437 1.00 0.00 H new ATOM 0 HA LEU A 26 -11.378 -3.405 -2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -8.495 -3.142 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.756 -3.774 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.939 -1.045 -2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.165 -0.115 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.914 -1.115 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.847 -1.762 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.556 -0.628 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.328 -2.294 -5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.049 -2.000 -3.491 1.00 0.00 H new ATOM 379 N VAL A 27 -11.208 -5.871 -2.124 1.00 0.00 N ATOM 380 CA VAL A 27 -11.174 -7.326 -2.062 1.00 0.00 C ATOM 381 C VAL A 27 -11.013 -7.932 -3.451 1.00 0.00 C ATOM 382 O VAL A 27 -11.879 -7.778 -4.312 1.00 0.00 O ATOM 383 CB VAL A 27 -12.452 -7.891 -1.414 1.00 0.00 C ATOM 384 CG1 VAL A 27 -12.316 -9.388 -1.178 1.00 0.00 C ATOM 385 CG2 VAL A 27 -12.758 -7.164 -0.113 1.00 0.00 C ATOM 0 H VAL A 27 -12.106 -5.482 -2.413 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.314 -7.596 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 27 -13.285 -7.729 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.229 -9.768 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.150 -9.893 -2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.471 -9.577 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -13.664 -7.577 0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.925 -7.291 0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.904 -6.103 -0.315 1.00 0.00 H new ATOM 395 N LEU A 28 -9.896 -8.621 -3.666 1.00 0.00 N ATOM 396 CA LEU A 28 -9.621 -9.248 -4.953 1.00 0.00 C ATOM 397 C LEU A 28 -10.039 -10.715 -4.945 1.00 0.00 C ATOM 398 O LEU A 28 -10.169 -11.329 -3.886 1.00 0.00 O ATOM 399 CB LEU A 28 -8.134 -9.132 -5.292 1.00 0.00 C ATOM 400 CG LEU A 28 -7.593 -7.702 -5.350 1.00 0.00 C ATOM 401 CD1 LEU A 28 -6.073 -7.706 -5.341 1.00 0.00 C ATOM 402 CD2 LEU A 28 -8.119 -6.984 -6.584 1.00 0.00 C ATOM 0 H LEU A 28 -9.168 -8.759 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.203 -8.728 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.563 -9.690 -4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.958 -9.610 -6.256 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.939 -7.166 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.706 -6.680 -5.383 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.716 -8.182 -4.428 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.705 -8.258 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.725 -5.968 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.802 -7.519 -7.479 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.208 -6.950 -6.548 1.00 0.00 H new ATOM 464 N SER A 33 -6.078 -7.384 -10.034 1.00 0.00 N ATOM 465 CA SER A 33 -4.989 -6.427 -9.873 1.00 0.00 C ATOM 466 C SER A 33 -5.530 -5.039 -9.551 1.00 0.00 C ATOM 467 O SER A 33 -6.729 -4.785 -9.670 1.00 0.00 O ATOM 468 CB SER A 33 -4.138 -6.375 -11.143 1.00 0.00 C ATOM 469 OG SER A 33 -4.919 -6.649 -12.294 1.00 0.00 O ATOM 0 HA SER A 33 -4.367 -6.756 -9.041 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.680 -5.390 -11.237 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.326 -7.099 -11.070 1.00 0.00 H new ATOM 0 HG SER A 33 -5.775 -7.042 -12.023 1.00 0.00 H new ATOM 475 N LEU A 34 -4.638 -4.143 -9.142 1.00 0.00 N ATOM 476 CA LEU A 34 -5.026 -2.779 -8.803 1.00 0.00 C ATOM 477 C LEU A 34 -5.094 -1.905 -10.050 1.00 0.00 C ATOM 478 O LEU A 34 -6.009 -1.096 -10.205 1.00 0.00 O ATOM 479 CB LEU A 34 -4.038 -2.181 -7.800 1.00 0.00 C ATOM 480 CG LEU A 34 -4.295 -2.554 -6.339 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.297 -1.857 -5.427 1.00 0.00 C ATOM 482 CD2 LEU A 34 -5.721 -2.201 -5.943 1.00 0.00 C ATOM 0 H LEU A 34 -3.642 -4.337 -9.037 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.018 -2.812 -8.352 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.031 -2.501 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.063 -1.095 -7.892 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.165 -3.631 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.495 -2.134 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.285 -2.159 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.395 -0.777 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.887 -2.473 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.879 -1.130 -6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.420 -2.747 -6.576 1.00 0.00 H new ATOM 494 N GLY A 35 -4.119 -2.074 -10.939 1.00 0.00 N ATOM 495 CA GLY A 35 -4.087 -1.294 -12.162 1.00 0.00 C ATOM 496 C GLY A 35 -3.599 0.123 -11.934 1.00 0.00 C ATOM 497 O GLY A 35 -4.095 1.064 -12.553 1.00 0.00 O ATOM 0 H GLY A 35 -3.351 -2.737 -10.833 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.438 -1.786 -12.886 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.086 -1.265 -12.597 1.00 0.00 H new ATOM 501 N LEU A 36 -2.624 0.275 -11.043 1.00 0.00 N ATOM 502 CA LEU A 36 -2.070 1.588 -10.734 1.00 0.00 C ATOM 503 C LEU A 36 -0.575 1.631 -11.036 1.00 0.00 C ATOM 504 O LEU A 36 0.183 0.769 -10.591 1.00 0.00 O ATOM 505 CB LEU A 36 -2.316 1.937 -9.265 1.00 0.00 C ATOM 506 CG LEU A 36 -3.740 2.387 -8.936 1.00 0.00 C ATOM 507 CD1 LEU A 36 -3.874 2.691 -7.452 1.00 0.00 C ATOM 508 CD2 LEU A 36 -4.120 3.602 -9.768 1.00 0.00 C ATOM 0 H LEU A 36 -2.202 -0.494 -10.523 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.572 2.324 -11.363 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.077 1.066 -8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.625 2.728 -8.975 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.424 1.575 -9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.894 3.010 -7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.644 1.795 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.180 3.486 -7.179 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.136 3.909 -9.521 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.432 4.420 -9.553 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.064 3.350 -10.827 1.00 0.00 H new ATOM 520 N THR A 37 -0.158 2.640 -11.794 1.00 0.00 N ATOM 521 CA THR A 37 1.246 2.795 -12.154 1.00 0.00 C ATOM 522 C THR A 37 1.964 3.710 -11.166 1.00 0.00 C ATOM 523 O THR A 37 2.131 4.903 -11.417 1.00 0.00 O ATOM 524 CB THR A 37 1.373 3.360 -13.570 1.00 0.00 C ATOM 525 OG1 THR A 37 0.467 2.717 -14.449 1.00 0.00 O ATOM 526 CG2 THR A 37 2.762 3.208 -14.152 1.00 0.00 C ATOM 0 H THR A 37 -0.772 3.362 -12.170 1.00 0.00 H new ATOM 0 HA THR A 37 1.713 1.811 -12.118 1.00 0.00 H new ATOM 0 HB THR A 37 1.149 4.423 -13.479 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.562 3.093 -15.349 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.783 3.629 -15.157 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.480 3.734 -13.523 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.025 2.151 -14.196 1.00 0.00 H new ATOM 534 N ILE A 38 2.384 3.142 -10.040 1.00 0.00 N ATOM 535 CA ILE A 38 3.083 3.906 -9.014 1.00 0.00 C ATOM 536 C ILE A 38 4.496 4.263 -9.460 1.00 0.00 C ATOM 537 O ILE A 38 4.989 3.751 -10.466 1.00 0.00 O ATOM 538 CB ILE A 38 3.157 3.128 -7.687 1.00 0.00 C ATOM 539 CG1 ILE A 38 3.836 1.774 -7.901 1.00 0.00 C ATOM 540 CG2 ILE A 38 1.765 2.943 -7.101 1.00 0.00 C ATOM 541 CD1 ILE A 38 4.182 1.061 -6.612 1.00 0.00 C ATOM 0 H ILE A 38 2.252 2.156 -9.815 1.00 0.00 H new ATOM 0 HA ILE A 38 2.512 4.822 -8.859 1.00 0.00 H new ATOM 0 HB ILE A 38 3.753 3.704 -6.979 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.180 1.137 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.747 1.921 -8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.835 2.391 -6.164 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.316 3.919 -6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.145 2.386 -7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.660 0.108 -6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.863 1.678 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.272 0.882 -6.040 1.00 0.00 H new ATOM 553 N ARG A 39 5.144 5.145 -8.706 1.00 0.00 N ATOM 554 CA ARG A 39 6.502 5.571 -9.023 1.00 0.00 C ATOM 555 C ARG A 39 7.280 5.899 -7.753 1.00 0.00 C ATOM 556 O ARG A 39 6.702 6.014 -6.672 1.00 0.00 O ATOM 557 CB ARG A 39 6.476 6.791 -9.948 1.00 0.00 C ATOM 558 CG ARG A 39 5.444 7.834 -9.549 1.00 0.00 C ATOM 559 CD ARG A 39 5.934 9.243 -9.844 1.00 0.00 C ATOM 560 NE ARG A 39 5.401 9.758 -11.104 1.00 0.00 N ATOM 561 CZ ARG A 39 5.946 9.521 -12.296 1.00 0.00 C ATOM 562 NH1 ARG A 39 7.040 8.775 -12.400 1.00 0.00 N ATOM 563 NH2 ARG A 39 5.395 10.030 -13.389 1.00 0.00 N ATOM 0 H ARG A 39 4.750 5.579 -7.871 1.00 0.00 H new ATOM 0 HA ARG A 39 7.003 4.748 -9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.463 7.253 -9.955 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.272 6.460 -10.966 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.514 7.651 -10.086 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.222 7.740 -8.486 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.642 9.906 -9.029 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.023 9.247 -9.883 1.00 0.00 H new ATOM 0 HE ARG A 39 4.560 10.334 -11.068 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.469 8.379 -11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.451 8.598 -13.316 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.554 10.603 -13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.812 9.849 -14.302 1.00 0.00 H new ATOM 577 N GLY A 40 8.592 6.049 -7.890 1.00 0.00 N ATOM 578 CA GLY A 40 9.428 6.362 -6.746 1.00 0.00 C ATOM 579 C GLY A 40 9.539 5.203 -5.774 1.00 0.00 C ATOM 580 O GLY A 40 8.709 4.294 -5.785 1.00 0.00 O ATOM 0 H GLY A 40 9.093 5.959 -8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.424 6.638 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.019 7.229 -6.227 1.00 0.00 H new ATOM 584 N GLY A 41 10.567 5.235 -4.933 1.00 0.00 N ATOM 585 CA GLY A 41 10.764 4.174 -3.963 1.00 0.00 C ATOM 586 C GLY A 41 12.020 4.371 -3.137 1.00 0.00 C ATOM 587 O GLY A 41 12.687 5.400 -3.244 1.00 0.00 O ATOM 0 H GLY A 41 11.267 5.976 -4.906 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.900 4.127 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.820 3.217 -4.482 1.00 0.00 H new ATOM 591 N ALA A 42 12.343 3.381 -2.311 1.00 0.00 N ATOM 592 CA ALA A 42 13.528 3.449 -1.462 1.00 0.00 C ATOM 593 C ALA A 42 14.793 3.607 -2.299 1.00 0.00 C ATOM 594 O ALA A 42 15.769 4.216 -1.857 1.00 0.00 O ATOM 595 CB ALA A 42 13.622 2.208 -0.588 1.00 0.00 C ATOM 0 H ALA A 42 11.801 2.522 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 42 13.436 4.325 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.510 2.272 0.040 1.00 0.00 H new ATOM 0 HB2 ALA A 42 12.736 2.139 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.687 1.322 -1.220 1.00 0.00 H new ATOM 601 N GLU A 43 14.771 3.054 -3.507 1.00 0.00 N ATOM 602 CA GLU A 43 15.917 3.134 -4.405 1.00 0.00 C ATOM 603 C GLU A 43 16.062 4.538 -4.983 1.00 0.00 C ATOM 604 O GLU A 43 17.164 4.965 -5.330 1.00 0.00 O ATOM 605 CB GLU A 43 15.777 2.115 -5.538 1.00 0.00 C ATOM 606 CG GLU A 43 17.106 1.687 -6.140 1.00 0.00 C ATOM 607 CD GLU A 43 17.046 1.559 -7.649 1.00 0.00 C ATOM 608 OE1 GLU A 43 16.351 2.376 -8.288 1.00 0.00 O ATOM 609 OE2 GLU A 43 17.696 0.641 -8.193 1.00 0.00 O ATOM 0 H GLU A 43 13.972 2.546 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 43 16.813 2.905 -3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.258 1.234 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 43 15.152 2.541 -6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.874 2.412 -5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.405 0.731 -5.709 1.00 0.00 H new ATOM 616 N TYR A 44 14.945 5.252 -5.087 1.00 0.00 N ATOM 617 CA TYR A 44 14.953 6.607 -5.626 1.00 0.00 C ATOM 618 C TYR A 44 14.824 7.649 -4.516 1.00 0.00 C ATOM 619 O TYR A 44 14.601 8.829 -4.787 1.00 0.00 O ATOM 620 CB TYR A 44 13.817 6.780 -6.636 1.00 0.00 C ATOM 621 CG TYR A 44 13.957 5.905 -7.861 1.00 0.00 C ATOM 622 CD1 TYR A 44 14.895 6.199 -8.843 1.00 0.00 C ATOM 623 CD2 TYR A 44 13.152 4.787 -8.035 1.00 0.00 C ATOM 624 CE1 TYR A 44 15.026 5.403 -9.965 1.00 0.00 C ATOM 625 CE2 TYR A 44 13.278 3.985 -9.154 1.00 0.00 C ATOM 626 CZ TYR A 44 14.216 4.298 -10.115 1.00 0.00 C ATOM 627 OH TYR A 44 14.343 3.501 -11.230 1.00 0.00 O ATOM 0 H TYR A 44 14.024 4.915 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 44 15.909 6.761 -6.127 1.00 0.00 H new ATOM 0 HB2 TYR A 44 12.869 6.556 -6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 44 13.775 7.824 -6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 44 15.532 7.064 -8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 44 12.416 4.540 -7.284 1.00 0.00 H new ATOM 0 HE1 TYR A 44 15.759 5.645 -10.720 1.00 0.00 H new ATOM 0 HE2 TYR A 44 12.645 3.118 -9.275 1.00 0.00 H new ATOM 0 HH TYR A 44 13.699 2.764 -11.180 1.00 0.00 H new ATOM 637 N GLY A 45 14.968 7.212 -3.266 1.00 0.00 N ATOM 638 CA GLY A 45 14.866 8.126 -2.142 1.00 0.00 C ATOM 639 C GLY A 45 13.587 8.943 -2.165 1.00 0.00 C ATOM 640 O GLY A 45 13.573 10.098 -1.741 1.00 0.00 O ATOM 0 H GLY A 45 15.153 6.241 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.913 7.559 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.723 8.800 -2.148 1.00 0.00 H new ATOM 644 N LEU A 46 12.510 8.342 -2.661 1.00 0.00 N ATOM 645 CA LEU A 46 11.223 9.022 -2.737 1.00 0.00 C ATOM 646 C LEU A 46 10.091 8.096 -2.305 1.00 0.00 C ATOM 647 O LEU A 46 10.200 6.874 -2.411 1.00 0.00 O ATOM 648 CB LEU A 46 10.971 9.525 -4.160 1.00 0.00 C ATOM 649 CG LEU A 46 9.646 10.263 -4.361 1.00 0.00 C ATOM 650 CD1 LEU A 46 9.645 11.577 -3.595 1.00 0.00 C ATOM 651 CD2 LEU A 46 9.391 10.505 -5.840 1.00 0.00 C ATOM 0 H LEU A 46 12.504 7.386 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 46 11.250 9.874 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.787 10.190 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.002 8.674 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 46 8.841 9.639 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.695 12.088 -3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.781 11.379 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.459 12.208 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.444 11.031 -5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.199 11.108 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.347 9.550 -6.363 1.00 0.00 H new ATOM 663 N GLY A 47 9.004 8.685 -1.816 1.00 0.00 N ATOM 664 CA GLY A 47 7.868 7.899 -1.375 1.00 0.00 C ATOM 665 C GLY A 47 7.226 7.120 -2.507 1.00 0.00 C ATOM 666 O GLY A 47 7.853 6.880 -3.539 1.00 0.00 O ATOM 0 H GLY A 47 8.890 9.694 -1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.190 7.206 -0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.126 8.559 -0.926 1.00 0.00 H new ATOM 670 N ILE A 48 5.971 6.727 -2.315 1.00 0.00 N ATOM 671 CA ILE A 48 5.243 5.971 -3.327 1.00 0.00 C ATOM 672 C ILE A 48 4.023 6.743 -3.818 1.00 0.00 C ATOM 673 O ILE A 48 3.038 6.892 -3.094 1.00 0.00 O ATOM 674 CB ILE A 48 4.787 4.602 -2.788 1.00 0.00 C ATOM 675 CG1 ILE A 48 5.956 3.879 -2.115 1.00 0.00 C ATOM 676 CG2 ILE A 48 4.208 3.756 -3.911 1.00 0.00 C ATOM 677 CD1 ILE A 48 7.075 3.524 -3.069 1.00 0.00 C ATOM 0 H ILE A 48 5.437 6.920 -1.468 1.00 0.00 H new ATOM 0 HA ILE A 48 5.930 5.814 -4.158 1.00 0.00 H new ATOM 0 HB ILE A 48 4.007 4.763 -2.043 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.353 4.509 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.587 2.967 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.891 2.792 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.351 4.269 -4.348 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.967 3.600 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.870 3.014 -2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.692 2.868 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.471 4.434 -3.520 1.00 0.00 H new ATOM 689 N TYR A 49 4.096 7.233 -5.051 1.00 0.00 N ATOM 690 CA TYR A 49 2.998 7.990 -5.639 1.00 0.00 C ATOM 691 C TYR A 49 2.315 7.188 -6.743 1.00 0.00 C ATOM 692 O TYR A 49 2.648 6.026 -6.976 1.00 0.00 O ATOM 693 CB TYR A 49 3.510 9.317 -6.201 1.00 0.00 C ATOM 694 CG TYR A 49 4.171 10.199 -5.164 1.00 0.00 C ATOM 695 CD1 TYR A 49 5.477 9.961 -4.756 1.00 0.00 C ATOM 696 CD2 TYR A 49 3.490 11.267 -4.596 1.00 0.00 C ATOM 697 CE1 TYR A 49 6.085 10.764 -3.809 1.00 0.00 C ATOM 698 CE2 TYR A 49 4.091 12.074 -3.650 1.00 0.00 C ATOM 699 CZ TYR A 49 5.388 11.818 -3.259 1.00 0.00 C ATOM 700 OH TYR A 49 5.990 12.620 -2.316 1.00 0.00 O ATOM 0 H TYR A 49 4.905 7.119 -5.662 1.00 0.00 H new ATOM 0 HA TYR A 49 2.268 8.192 -4.855 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.223 9.113 -7.000 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.676 9.858 -6.648 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.026 9.136 -5.185 1.00 0.00 H new ATOM 0 HD2 TYR A 49 2.473 11.470 -4.899 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.101 10.566 -3.502 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.548 12.902 -3.219 1.00 0.00 H new ATOM 0 HH TYR A 49 5.363 13.317 -2.031 1.00 0.00 H new ATOM 710 N ILE A 50 1.358 7.816 -7.419 1.00 0.00 N ATOM 711 CA ILE A 50 0.629 7.161 -8.499 1.00 0.00 C ATOM 712 C ILE A 50 0.657 8.005 -9.769 1.00 0.00 C ATOM 713 O ILE A 50 0.560 9.230 -9.714 1.00 0.00 O ATOM 714 CB ILE A 50 -0.837 6.894 -8.106 1.00 0.00 C ATOM 715 CG1 ILE A 50 -0.905 6.222 -6.734 1.00 0.00 C ATOM 716 CG2 ILE A 50 -1.519 6.033 -9.160 1.00 0.00 C ATOM 717 CD1 ILE A 50 -2.295 6.211 -6.136 1.00 0.00 C ATOM 0 H ILE A 50 1.069 8.777 -7.238 1.00 0.00 H new ATOM 0 HA ILE A 50 1.126 6.209 -8.686 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.363 7.847 -8.048 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.548 5.196 -6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.229 6.737 -6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.554 5.853 -8.869 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.497 6.548 -10.120 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.995 5.081 -9.247 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.269 5.719 -5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.647 7.235 -6.015 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.972 5.670 -6.798 1.00 0.00 H new ATOM 729 N THR A 51 0.792 7.341 -10.913 1.00 0.00 N ATOM 730 CA THR A 51 0.835 8.035 -12.196 1.00 0.00 C ATOM 731 C THR A 51 0.314 7.142 -13.318 1.00 0.00 C ATOM 732 O THR A 51 0.902 7.079 -14.399 1.00 0.00 O ATOM 733 CB THR A 51 2.262 8.487 -12.506 1.00 0.00 C ATOM 734 OG1 THR A 51 2.321 9.135 -13.764 1.00 0.00 O ATOM 735 CG2 THR A 51 3.259 7.348 -12.529 1.00 0.00 C ATOM 0 H THR A 51 0.873 6.326 -10.978 1.00 0.00 H new ATOM 0 HA THR A 51 0.191 8.912 -12.128 1.00 0.00 H new ATOM 0 HB THR A 51 2.531 9.168 -11.698 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.826 8.609 -14.426 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.252 7.738 -12.755 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.274 6.858 -11.555 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.970 6.627 -13.294 1.00 0.00 H new ATOM 743 N GLY A 52 -0.792 6.453 -13.058 1.00 0.00 N ATOM 744 CA GLY A 52 -1.370 5.576 -14.059 1.00 0.00 C ATOM 745 C GLY A 52 -2.689 4.973 -13.614 1.00 0.00 C ATOM 746 O GLY A 52 -2.942 4.829 -12.418 1.00 0.00 O ATOM 0 H GLY A 52 -1.298 6.486 -12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.523 6.135 -14.982 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.666 4.775 -14.285 1.00 0.00 H new ATOM 750 N VAL A 53 -3.530 4.619 -14.581 1.00 0.00 N ATOM 751 CA VAL A 53 -4.829 4.027 -14.286 1.00 0.00 C ATOM 752 C VAL A 53 -5.279 3.105 -15.414 1.00 0.00 C ATOM 753 O VAL A 53 -5.300 3.500 -16.580 1.00 0.00 O ATOM 754 CB VAL A 53 -5.903 5.108 -14.063 1.00 0.00 C ATOM 755 CG1 VAL A 53 -7.196 4.484 -13.565 1.00 0.00 C ATOM 756 CG2 VAL A 53 -5.403 6.164 -13.088 1.00 0.00 C ATOM 0 H VAL A 53 -3.334 4.732 -15.576 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.712 3.448 -13.370 1.00 0.00 H new ATOM 0 HB VAL A 53 -6.106 5.593 -15.018 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.942 5.264 -13.414 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.563 3.770 -14.302 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.012 3.970 -12.622 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.175 6.920 -12.943 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.169 5.695 -12.132 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.506 6.635 -13.490 1.00 0.00 H new ATOM 766 N ASP A 54 -5.638 1.876 -15.060 1.00 0.00 N ATOM 767 CA ASP A 54 -6.087 0.897 -16.044 1.00 0.00 C ATOM 768 C ASP A 54 -7.606 0.942 -16.203 1.00 0.00 C ATOM 769 O ASP A 54 -8.343 0.564 -15.293 1.00 0.00 O ATOM 770 CB ASP A 54 -5.650 -0.509 -15.628 1.00 0.00 C ATOM 771 CG ASP A 54 -4.240 -0.834 -16.082 1.00 0.00 C ATOM 772 OD1 ASP A 54 -4.061 -1.155 -17.275 1.00 0.00 O ATOM 773 OD2 ASP A 54 -3.317 -0.768 -15.244 1.00 0.00 O ATOM 0 H ASP A 54 -5.627 1.534 -14.099 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.631 1.146 -17.002 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.709 -0.599 -14.543 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.341 -1.240 -16.047 1.00 0.00 H new ATOM 778 N PRO A 55 -8.102 1.406 -17.367 1.00 0.00 N ATOM 779 CA PRO A 55 -9.541 1.493 -17.630 1.00 0.00 C ATOM 780 C PRO A 55 -10.258 0.173 -17.372 1.00 0.00 C ATOM 781 O PRO A 55 -10.360 -0.673 -18.261 1.00 0.00 O ATOM 782 CB PRO A 55 -9.613 1.860 -19.114 1.00 0.00 C ATOM 783 CG PRO A 55 -8.321 2.542 -19.399 1.00 0.00 C ATOM 784 CD PRO A 55 -7.302 1.881 -18.513 1.00 0.00 C ATOM 0 HA PRO A 55 -10.030 2.215 -16.976 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.738 0.973 -19.735 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.460 2.515 -19.319 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.049 2.441 -20.450 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.388 3.609 -19.188 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.801 1.058 -19.022 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.527 2.581 -18.200 1.00 0.00 H new ATOM 792 N GLY A 56 -10.753 0.001 -16.151 1.00 0.00 N ATOM 793 CA GLY A 56 -11.454 -1.220 -15.799 1.00 0.00 C ATOM 794 C GLY A 56 -10.784 -1.966 -14.662 1.00 0.00 C ATOM 795 O GLY A 56 -10.664 -3.192 -14.701 1.00 0.00 O ATOM 0 H GLY A 56 -10.681 0.686 -15.398 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.479 -0.979 -15.517 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.508 -1.869 -16.673 1.00 0.00 H new ATOM 799 N SER A 57 -10.345 -1.228 -13.649 1.00 0.00 N ATOM 800 CA SER A 57 -9.682 -1.828 -12.496 1.00 0.00 C ATOM 801 C SER A 57 -10.416 -1.480 -11.204 1.00 0.00 C ATOM 802 O SER A 57 -11.343 -0.671 -11.204 1.00 0.00 O ATOM 803 CB SER A 57 -8.230 -1.355 -12.413 1.00 0.00 C ATOM 804 OG SER A 57 -8.099 -0.024 -12.881 1.00 0.00 O ATOM 0 H SER A 57 -10.436 -0.213 -13.602 1.00 0.00 H new ATOM 0 HA SER A 57 -9.698 -2.911 -12.622 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.883 -1.417 -11.382 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.595 -2.015 -13.003 1.00 0.00 H new ATOM 0 HG SER A 57 -7.800 -0.033 -13.814 1.00 0.00 H new ATOM 810 N GLU A 58 -9.995 -2.098 -10.105 1.00 0.00 N ATOM 811 CA GLU A 58 -10.612 -1.854 -8.807 1.00 0.00 C ATOM 812 C GLU A 58 -10.172 -0.509 -8.240 1.00 0.00 C ATOM 813 O GLU A 58 -10.926 0.151 -7.524 1.00 0.00 O ATOM 814 CB GLU A 58 -10.255 -2.975 -7.830 1.00 0.00 C ATOM 815 CG GLU A 58 -10.505 -4.368 -8.385 1.00 0.00 C ATOM 816 CD GLU A 58 -11.944 -4.813 -8.217 1.00 0.00 C ATOM 817 OE1 GLU A 58 -12.352 -5.083 -7.067 1.00 0.00 O ATOM 818 OE2 GLU A 58 -12.664 -4.892 -9.235 1.00 0.00 O ATOM 0 H GLU A 58 -9.229 -2.771 -10.088 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.693 -1.833 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.204 -2.885 -7.556 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.835 -2.848 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.244 -4.386 -9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.848 -5.078 -7.883 1.00 0.00 H new ATOM 825 N ALA A 59 -8.947 -0.108 -8.563 1.00 0.00 N ATOM 826 CA ALA A 59 -8.406 1.159 -8.085 1.00 0.00 C ATOM 827 C ALA A 59 -9.069 2.338 -8.788 1.00 0.00 C ATOM 828 O ALA A 59 -9.221 3.413 -8.207 1.00 0.00 O ATOM 829 CB ALA A 59 -6.899 1.199 -8.290 1.00 0.00 C ATOM 0 H ALA A 59 -8.310 -0.642 -9.154 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.619 1.239 -7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.508 2.150 -7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.435 0.382 -7.737 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.673 1.093 -9.351 1.00 0.00 H new ATOM 835 N GLU A 60 -9.461 2.132 -10.040 1.00 0.00 N ATOM 836 CA GLU A 60 -10.108 3.179 -10.821 1.00 0.00 C ATOM 837 C GLU A 60 -11.537 3.411 -10.342 1.00 0.00 C ATOM 838 O GLU A 60 -12.053 4.527 -10.412 1.00 0.00 O ATOM 839 CB GLU A 60 -10.110 2.810 -12.306 1.00 0.00 C ATOM 840 CG GLU A 60 -10.605 3.927 -13.210 1.00 0.00 C ATOM 841 CD GLU A 60 -11.492 3.421 -14.330 1.00 0.00 C ATOM 842 OE1 GLU A 60 -11.155 2.377 -14.928 1.00 0.00 O ATOM 843 OE2 GLU A 60 -12.523 4.068 -14.610 1.00 0.00 O ATOM 0 H GLU A 60 -9.342 1.249 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.543 4.101 -10.683 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.099 2.534 -12.604 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.737 1.931 -12.452 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.157 4.654 -12.614 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.749 4.450 -13.637 1.00 0.00 H new ATOM 850 N GLY A 61 -12.172 2.350 -9.853 1.00 0.00 N ATOM 851 CA GLY A 61 -13.535 2.459 -9.369 1.00 0.00 C ATOM 852 C GLY A 61 -13.605 2.972 -7.943 1.00 0.00 C ATOM 853 O GLY A 61 -14.536 3.690 -7.580 1.00 0.00 O ATOM 0 H GLY A 61 -11.766 1.417 -9.784 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.096 3.129 -10.021 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.016 1.483 -9.425 1.00 0.00 H new ATOM 857 N SER A 62 -12.617 2.603 -7.135 1.00 0.00 N ATOM 858 CA SER A 62 -12.570 3.030 -5.741 1.00 0.00 C ATOM 859 C SER A 62 -12.509 4.551 -5.641 1.00 0.00 C ATOM 860 O SER A 62 -13.396 5.181 -5.064 1.00 0.00 O ATOM 861 CB SER A 62 -11.361 2.412 -5.037 1.00 0.00 C ATOM 862 OG SER A 62 -10.153 3.012 -5.475 1.00 0.00 O ATOM 0 H SER A 62 -11.838 2.010 -7.421 1.00 0.00 H new ATOM 0 HA SER A 62 -13.481 2.687 -5.250 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.462 2.536 -3.959 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.330 1.340 -5.234 1.00 0.00 H new ATOM 0 HG SER A 62 -10.051 2.875 -6.440 1.00 0.00 H new ATOM 868 N GLY A 63 -11.456 5.135 -6.204 1.00 0.00 N ATOM 869 CA GLY A 63 -11.299 6.576 -6.166 1.00 0.00 C ATOM 870 C GLY A 63 -9.846 7.000 -6.081 1.00 0.00 C ATOM 871 O GLY A 63 -9.462 7.748 -5.182 1.00 0.00 O ATOM 0 H GLY A 63 -10.709 4.635 -6.686 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.749 7.011 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.841 6.975 -5.309 1.00 0.00 H new ATOM 875 N LEU A 64 -9.035 6.518 -7.018 1.00 0.00 N ATOM 876 CA LEU A 64 -7.615 6.850 -7.046 1.00 0.00 C ATOM 877 C LEU A 64 -7.225 7.456 -8.390 1.00 0.00 C ATOM 878 O LEU A 64 -7.684 7.008 -9.440 1.00 0.00 O ATOM 879 CB LEU A 64 -6.773 5.603 -6.773 1.00 0.00 C ATOM 880 CG LEU A 64 -6.815 5.096 -5.330 1.00 0.00 C ATOM 881 CD1 LEU A 64 -6.374 3.642 -5.262 1.00 0.00 C ATOM 882 CD2 LEU A 64 -5.940 5.963 -4.435 1.00 0.00 C ATOM 0 H LEU A 64 -9.337 5.896 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.424 7.587 -6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.111 4.804 -7.433 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.737 5.818 -7.037 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.843 5.160 -4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.410 3.299 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.040 3.031 -5.871 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.355 3.553 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.982 5.588 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.910 5.931 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.301 6.991 -4.460 1.00 0.00 H new ATOM 894 N LYS A 65 -6.377 8.478 -8.349 1.00 0.00 N ATOM 895 CA LYS A 65 -5.924 9.145 -9.565 1.00 0.00 C ATOM 896 C LYS A 65 -4.410 9.321 -9.559 1.00 0.00 C ATOM 897 O LYS A 65 -3.729 8.893 -8.627 1.00 0.00 O ATOM 898 CB LYS A 65 -6.608 10.507 -9.708 1.00 0.00 C ATOM 899 CG LYS A 65 -8.008 10.425 -10.296 1.00 0.00 C ATOM 900 CD LYS A 65 -9.013 11.200 -9.459 1.00 0.00 C ATOM 901 CE LYS A 65 -9.176 12.625 -9.961 1.00 0.00 C ATOM 902 NZ LYS A 65 -10.373 12.774 -10.835 1.00 0.00 N ATOM 0 H LYS A 65 -5.989 8.863 -7.487 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.194 8.519 -10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.661 10.982 -8.729 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.994 11.148 -10.340 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.000 10.819 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.316 9.381 -10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.977 10.692 -9.484 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.687 11.215 -8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.261 13.302 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.284 12.919 -10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.448 13.760 -11.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.281 12.147 -11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.227 12.518 -10.300 1.00 0.00 H new ATOM 916 N VAL A 66 -3.888 9.953 -10.605 1.00 0.00 N ATOM 917 CA VAL A 66 -2.454 10.186 -10.720 1.00 0.00 C ATOM 918 C VAL A 66 -2.018 11.368 -9.861 1.00 0.00 C ATOM 919 O VAL A 66 -2.445 12.500 -10.083 1.00 0.00 O ATOM 920 CB VAL A 66 -2.041 10.447 -12.181 1.00 0.00 C ATOM 921 CG1 VAL A 66 -2.121 9.166 -12.997 1.00 0.00 C ATOM 922 CG2 VAL A 66 -2.909 11.536 -12.796 1.00 0.00 C ATOM 0 H VAL A 66 -4.437 10.313 -11.385 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.958 9.282 -10.367 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.007 10.791 -12.190 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.826 9.371 -14.026 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.452 8.420 -12.569 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.143 8.788 -12.982 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.602 11.706 -13.828 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.953 11.224 -12.775 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.794 12.458 -12.226 1.00 0.00 H new ATOM 932 N GLY A 67 -1.164 11.098 -8.879 1.00 0.00 N ATOM 933 CA GLY A 67 -0.684 12.150 -8.002 1.00 0.00 C ATOM 934 C GLY A 67 -0.788 11.776 -6.536 1.00 0.00 C ATOM 935 O GLY A 67 -0.029 12.278 -5.707 1.00 0.00 O ATOM 0 H GLY A 67 -0.796 10.169 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.355 12.374 -8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.257 13.059 -8.183 1.00 0.00 H new ATOM 939 N ASP A 68 -1.730 10.895 -6.216 1.00 0.00 N ATOM 940 CA ASP A 68 -1.931 10.456 -4.839 1.00 0.00 C ATOM 941 C ASP A 68 -0.661 9.823 -4.279 1.00 0.00 C ATOM 942 O ASP A 68 0.113 9.206 -5.011 1.00 0.00 O ATOM 943 CB ASP A 68 -3.089 9.459 -4.764 1.00 0.00 C ATOM 944 CG ASP A 68 -4.410 10.132 -4.449 1.00 0.00 C ATOM 945 OD1 ASP A 68 -4.940 10.843 -5.329 1.00 0.00 O ATOM 946 OD2 ASP A 68 -4.916 9.948 -3.322 1.00 0.00 O ATOM 0 H ASP A 68 -2.366 10.471 -6.891 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.175 11.331 -4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.171 8.929 -5.713 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.873 8.712 -4.000 1.00 0.00 H new ATOM 951 N GLN A 69 -0.454 9.979 -2.975 1.00 0.00 N ATOM 952 CA GLN A 69 0.721 9.422 -2.315 1.00 0.00 C ATOM 953 C GLN A 69 0.320 8.371 -1.286 1.00 0.00 C ATOM 954 O GLN A 69 -0.366 8.673 -0.309 1.00 0.00 O ATOM 955 CB GLN A 69 1.526 10.533 -1.639 1.00 0.00 C ATOM 956 CG GLN A 69 2.914 10.097 -1.200 1.00 0.00 C ATOM 957 CD GLN A 69 3.030 9.945 0.304 1.00 0.00 C ATOM 958 OE1 GLN A 69 2.841 10.903 1.053 1.00 0.00 O ATOM 959 NE2 GLN A 69 3.343 8.735 0.754 1.00 0.00 N ATOM 0 H GLN A 69 -1.085 10.487 -2.355 1.00 0.00 H new ATOM 0 HA GLN A 69 1.340 8.944 -3.074 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.619 11.373 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.975 10.892 -0.770 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.161 9.149 -1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.646 10.827 -1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.491 7.969 0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 69 3.435 8.572 1.757 1.00 0.00 H new ATOM 968 N ILE A 70 0.752 7.134 -1.511 1.00 0.00 N ATOM 969 CA ILE A 70 0.437 6.038 -0.603 1.00 0.00 C ATOM 970 C ILE A 70 1.305 6.096 0.649 1.00 0.00 C ATOM 971 O ILE A 70 2.533 6.107 0.566 1.00 0.00 O ATOM 972 CB ILE A 70 0.632 4.670 -1.284 1.00 0.00 C ATOM 973 CG1 ILE A 70 -0.072 4.646 -2.643 1.00 0.00 C ATOM 974 CG2 ILE A 70 0.110 3.554 -0.392 1.00 0.00 C ATOM 975 CD1 ILE A 70 0.408 3.537 -3.553 1.00 0.00 C ATOM 0 H ILE A 70 1.321 6.866 -2.314 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.610 6.151 -0.323 1.00 0.00 H new ATOM 0 HB ILE A 70 1.698 4.511 -1.445 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.145 4.537 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.081 5.604 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.255 2.594 -0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.652 3.560 0.553 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.952 3.707 -0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -0.134 3.581 -4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.475 3.657 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.230 2.573 -3.077 1.00 0.00 H new ATOM 987 N LEU A 71 0.659 6.137 1.809 1.00 0.00 N ATOM 988 CA LEU A 71 1.371 6.196 3.080 1.00 0.00 C ATOM 989 C LEU A 71 1.668 4.794 3.604 1.00 0.00 C ATOM 990 O LEU A 71 2.767 4.520 4.086 1.00 0.00 O ATOM 991 CB LEU A 71 0.553 6.975 4.112 1.00 0.00 C ATOM 992 CG LEU A 71 0.081 8.356 3.655 1.00 0.00 C ATOM 993 CD1 LEU A 71 -0.845 8.973 4.692 1.00 0.00 C ATOM 994 CD2 LEU A 71 1.271 9.267 3.390 1.00 0.00 C ATOM 0 H LEU A 71 -0.357 6.130 1.895 1.00 0.00 H new ATOM 0 HA LEU A 71 2.317 6.710 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.320 6.381 4.385 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.153 7.093 5.014 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.475 8.239 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.171 9.955 4.350 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.714 8.330 4.832 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.314 9.076 5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.915 10.245 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.855 9.378 4.304 1.00 0.00 H new ATOM 0 HD23 LEU A 71 1.896 8.832 2.610 1.00 0.00 H new ATOM 1006 N GLU A 72 0.681 3.909 3.503 1.00 0.00 N ATOM 1007 CA GLU A 72 0.838 2.535 3.966 1.00 0.00 C ATOM 1008 C GLU A 72 -0.295 1.654 3.450 1.00 0.00 C ATOM 1009 O GLU A 72 -1.389 2.138 3.158 1.00 0.00 O ATOM 1010 CB GLU A 72 0.878 2.491 5.495 1.00 0.00 C ATOM 1011 CG GLU A 72 -0.401 2.988 6.151 1.00 0.00 C ATOM 1012 CD GLU A 72 -0.247 4.372 6.754 1.00 0.00 C ATOM 1013 OE1 GLU A 72 0.877 4.710 7.184 1.00 0.00 O ATOM 1014 OE2 GLU A 72 -1.248 5.115 6.798 1.00 0.00 O ATOM 0 H GLU A 72 -0.235 4.119 3.105 1.00 0.00 H new ATOM 0 HA GLU A 72 1.780 2.151 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.067 1.467 5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.715 3.095 5.846 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.202 3.005 5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.701 2.287 6.930 1.00 0.00 H new ATOM 1021 N VAL A 73 -0.026 0.357 3.341 1.00 0.00 N ATOM 1022 CA VAL A 73 -1.022 -0.593 2.860 1.00 0.00 C ATOM 1023 C VAL A 73 -0.993 -1.879 3.678 1.00 0.00 C ATOM 1024 O VAL A 73 0.065 -2.476 3.879 1.00 0.00 O ATOM 1025 CB VAL A 73 -0.800 -0.938 1.375 1.00 0.00 C ATOM 1026 CG1 VAL A 73 -1.965 -1.752 0.835 1.00 0.00 C ATOM 1027 CG2 VAL A 73 -0.600 0.329 0.556 1.00 0.00 C ATOM 0 H VAL A 73 0.874 -0.060 3.579 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.995 -0.115 2.972 1.00 0.00 H new ATOM 0 HB VAL A 73 0.103 -1.542 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.790 -1.986 -0.215 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.056 -2.678 1.403 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.886 -1.177 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.445 0.065 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.483 0.962 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.271 0.869 0.927 1.00 0.00 H new ATOM 1037 N ASN A 74 -2.163 -2.302 4.148 1.00 0.00 N ATOM 1038 CA ASN A 74 -2.270 -3.519 4.946 1.00 0.00 C ATOM 1039 C ASN A 74 -1.447 -3.405 6.224 1.00 0.00 C ATOM 1040 O ASN A 74 -0.934 -4.401 6.734 1.00 0.00 O ATOM 1041 CB ASN A 74 -1.808 -4.730 4.132 1.00 0.00 C ATOM 1042 CG ASN A 74 -2.953 -5.414 3.413 1.00 0.00 C ATOM 1043 OD1 ASN A 74 -3.847 -5.980 4.043 1.00 0.00 O ATOM 1044 ND2 ASN A 74 -2.932 -5.367 2.087 1.00 0.00 N ATOM 0 H ASN A 74 -3.049 -1.821 3.990 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.316 -3.653 5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.063 -4.411 3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -1.320 -5.445 4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.676 -5.811 1.549 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.172 -4.887 1.606 1.00 0.00 H new ATOM 1051 N GLY A 75 -1.324 -2.185 6.737 1.00 0.00 N ATOM 1052 CA GLY A 75 -0.562 -1.965 7.951 1.00 0.00 C ATOM 1053 C GLY A 75 0.932 -2.098 7.730 1.00 0.00 C ATOM 1054 O GLY A 75 1.672 -2.461 8.646 1.00 0.00 O ATOM 0 H GLY A 75 -1.739 -1.345 6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.782 -0.970 8.339 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.879 -2.680 8.710 1.00 0.00 H new ATOM 1058 N ARG A 76 1.376 -1.806 6.512 1.00 0.00 N ATOM 1059 CA ARG A 76 2.792 -1.895 6.172 1.00 0.00 C ATOM 1060 C ARG A 76 3.324 -0.545 5.701 1.00 0.00 C ATOM 1061 O ARG A 76 2.659 0.167 4.949 1.00 0.00 O ATOM 1062 CB ARG A 76 3.010 -2.948 5.084 1.00 0.00 C ATOM 1063 CG ARG A 76 4.476 -3.209 4.775 1.00 0.00 C ATOM 1064 CD ARG A 76 4.890 -4.618 5.171 1.00 0.00 C ATOM 1065 NE ARG A 76 6.298 -4.876 4.880 1.00 0.00 N ATOM 1066 CZ ARG A 76 6.983 -5.902 5.381 1.00 0.00 C ATOM 1067 NH1 ARG A 76 6.394 -6.767 6.198 1.00 0.00 N ATOM 1068 NH2 ARG A 76 8.260 -6.065 5.063 1.00 0.00 N ATOM 0 H ARG A 76 0.776 -1.506 5.744 1.00 0.00 H new ATOM 0 HA ARG A 76 3.338 -2.188 7.069 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.541 -3.882 5.394 1.00 0.00 H new ATOM 0 HB3 ARG A 76 2.507 -2.626 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 76 4.656 -3.062 3.710 1.00 0.00 H new ATOM 0 HG3 ARG A 76 5.095 -2.485 5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.707 -4.764 6.236 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.271 -5.341 4.639 1.00 0.00 H new ATOM 0 HE ARG A 76 6.785 -4.232 4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.412 -6.648 6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.924 -7.551 6.579 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.717 -5.404 4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.785 -6.851 5.447 1.00 0.00 H new ATOM 1082 N SER A 77 4.526 -0.199 6.150 1.00 0.00 N ATOM 1083 CA SER A 77 5.147 1.066 5.774 1.00 0.00 C ATOM 1084 C SER A 77 5.525 1.067 4.297 1.00 0.00 C ATOM 1085 O SER A 77 6.174 0.141 3.810 1.00 0.00 O ATOM 1086 CB SER A 77 6.388 1.323 6.631 1.00 0.00 C ATOM 1087 OG SER A 77 6.963 0.107 7.075 1.00 0.00 O ATOM 0 H SER A 77 5.089 -0.776 6.774 1.00 0.00 H new ATOM 0 HA SER A 77 4.424 1.863 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.122 1.886 6.054 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.119 1.937 7.491 1.00 0.00 H new ATOM 0 HG SER A 77 7.755 0.299 7.619 1.00 0.00 H new ATOM 1093 N PHE A 78 5.117 2.115 3.587 1.00 0.00 N ATOM 1094 CA PHE A 78 5.413 2.237 2.164 1.00 0.00 C ATOM 1095 C PHE A 78 6.296 3.453 1.895 1.00 0.00 C ATOM 1096 O PHE A 78 6.184 4.096 0.852 1.00 0.00 O ATOM 1097 CB PHE A 78 4.116 2.344 1.359 1.00 0.00 C ATOM 1098 CG PHE A 78 3.618 1.023 0.847 1.00 0.00 C ATOM 1099 CD1 PHE A 78 3.343 -0.016 1.722 1.00 0.00 C ATOM 1100 CD2 PHE A 78 3.424 0.820 -0.510 1.00 0.00 C ATOM 1101 CE1 PHE A 78 2.884 -1.232 1.253 1.00 0.00 C ATOM 1102 CE2 PHE A 78 2.966 -0.394 -0.985 1.00 0.00 C ATOM 1103 CZ PHE A 78 2.695 -1.421 -0.102 1.00 0.00 C ATOM 0 H PHE A 78 4.581 2.891 3.974 1.00 0.00 H new ATOM 0 HA PHE A 78 5.952 1.343 1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.346 2.796 1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.276 3.015 0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.489 0.126 2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.633 1.620 -1.205 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.673 -2.034 1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.820 -0.540 -2.045 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.336 -2.370 -0.471 1.00 0.00 H new ATOM 1113 N LEU A 79 7.173 3.762 2.844 1.00 0.00 N ATOM 1114 CA LEU A 79 8.075 4.900 2.711 1.00 0.00 C ATOM 1115 C LEU A 79 9.464 4.446 2.274 1.00 0.00 C ATOM 1116 O LEU A 79 10.138 5.130 1.505 1.00 0.00 O ATOM 1117 CB LEU A 79 8.167 5.663 4.033 1.00 0.00 C ATOM 1118 CG LEU A 79 6.897 6.414 4.437 1.00 0.00 C ATOM 1119 CD1 LEU A 79 6.858 6.623 5.943 1.00 0.00 C ATOM 1120 CD2 LEU A 79 6.814 7.747 3.710 1.00 0.00 C ATOM 0 H LEU A 79 7.278 3.240 3.714 1.00 0.00 H new ATOM 0 HA LEU A 79 7.672 5.563 1.945 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.421 4.958 4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.988 6.377 3.966 1.00 0.00 H new ATOM 0 HG LEU A 79 6.034 5.812 4.152 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.948 7.159 6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.872 5.656 6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.726 7.205 6.252 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.905 8.268 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.682 8.355 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.796 7.574 2.634 1.00 0.00 H new ATOM 1132 N ASN A 80 9.886 3.288 2.771 1.00 0.00 N ATOM 1133 CA ASN A 80 11.195 2.742 2.433 1.00 0.00 C ATOM 1134 C ASN A 80 11.056 1.444 1.644 1.00 0.00 C ATOM 1135 O ASN A 80 11.901 0.554 1.740 1.00 0.00 O ATOM 1136 CB ASN A 80 12.011 2.495 3.703 1.00 0.00 C ATOM 1137 CG ASN A 80 11.286 1.603 4.691 1.00 0.00 C ATOM 1138 OD1 ASN A 80 10.089 1.765 4.931 1.00 0.00 O ATOM 1139 ND2 ASN A 80 12.010 0.653 5.273 1.00 0.00 N ATOM 0 H ASN A 80 9.340 2.709 3.409 1.00 0.00 H new ATOM 0 HA ASN A 80 11.715 3.470 1.811 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.964 2.038 3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 80 12.237 3.450 4.178 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.577 0.023 5.948 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.999 0.554 5.045 1.00 0.00 H new ATOM 1146 N ILE A 81 9.986 1.343 0.863 1.00 0.00 N ATOM 1147 CA ILE A 81 9.737 0.154 0.058 1.00 0.00 C ATOM 1148 C ILE A 81 10.268 0.331 -1.362 1.00 0.00 C ATOM 1149 O ILE A 81 10.048 1.365 -1.993 1.00 0.00 O ATOM 1150 CB ILE A 81 8.232 -0.181 -0.001 1.00 0.00 C ATOM 1151 CG1 ILE A 81 8.006 -1.499 -0.745 1.00 0.00 C ATOM 1152 CG2 ILE A 81 7.458 0.949 -0.667 1.00 0.00 C ATOM 1153 CD1 ILE A 81 6.933 -2.367 -0.124 1.00 0.00 C ATOM 0 H ILE A 81 9.277 2.071 0.771 1.00 0.00 H new ATOM 0 HA ILE A 81 10.264 -0.671 0.538 1.00 0.00 H new ATOM 0 HB ILE A 81 7.864 -0.294 1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 81 7.734 -1.282 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.942 -2.057 -0.773 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.399 0.695 -0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.593 1.868 -0.097 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.828 1.094 -1.682 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.827 -3.284 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.213 -2.615 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.986 -1.828 -0.121 1.00 0.00 H new ATOM 1165 N LEU A 82 10.968 -0.685 -1.858 1.00 0.00 N ATOM 1166 CA LEU A 82 11.530 -0.641 -3.202 1.00 0.00 C ATOM 1167 C LEU A 82 10.429 -0.496 -4.247 1.00 0.00 C ATOM 1168 O LEU A 82 9.261 -0.771 -3.976 1.00 0.00 O ATOM 1169 CB LEU A 82 12.348 -1.905 -3.477 1.00 0.00 C ATOM 1170 CG LEU A 82 13.529 -2.131 -2.532 1.00 0.00 C ATOM 1171 CD1 LEU A 82 13.843 -3.615 -2.416 1.00 0.00 C ATOM 1172 CD2 LEU A 82 14.750 -1.360 -3.012 1.00 0.00 C ATOM 0 H LEU A 82 11.159 -1.548 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 82 12.185 0.228 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.685 -2.768 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 82 12.724 -1.861 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 82 13.256 -1.761 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.686 -3.757 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.972 -4.142 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 82 14.096 -4.011 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 82 15.581 -1.532 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 82 15.025 -1.700 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.519 -0.295 -3.042 1.00 0.00 H new ATOM 1184 N HIS A 83 10.811 -0.060 -5.444 1.00 0.00 N ATOM 1185 CA HIS A 83 9.856 0.122 -6.530 1.00 0.00 C ATOM 1186 C HIS A 83 9.390 -1.224 -7.077 1.00 0.00 C ATOM 1187 O HIS A 83 8.255 -1.361 -7.533 1.00 0.00 O ATOM 1188 CB HIS A 83 10.482 0.951 -7.653 1.00 0.00 C ATOM 1189 CG HIS A 83 9.540 1.235 -8.783 1.00 0.00 C ATOM 1190 ND1 HIS A 83 8.461 2.087 -8.667 1.00 0.00 N ATOM 1191 CD2 HIS A 83 9.520 0.777 -10.057 1.00 0.00 C ATOM 1192 CE1 HIS A 83 7.818 2.138 -9.821 1.00 0.00 C ATOM 1193 NE2 HIS A 83 8.441 1.353 -10.680 1.00 0.00 N ATOM 0 H HIS A 83 11.774 0.173 -5.685 1.00 0.00 H new ATOM 0 HA HIS A 83 8.990 0.653 -6.134 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.838 1.895 -7.241 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.353 0.423 -8.041 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.222 0.087 -10.501 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.933 2.723 -10.026 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.165 1.199 -11.650 1.00 0.00 H new ATOM 1202 N ASP A 84 10.274 -2.215 -7.026 1.00 0.00 N ATOM 1203 CA ASP A 84 9.953 -3.551 -7.516 1.00 0.00 C ATOM 1204 C ASP A 84 9.064 -4.296 -6.524 1.00 0.00 C ATOM 1205 O ASP A 84 8.082 -4.929 -6.909 1.00 0.00 O ATOM 1206 CB ASP A 84 11.236 -4.346 -7.767 1.00 0.00 C ATOM 1207 CG ASP A 84 10.964 -5.697 -8.399 1.00 0.00 C ATOM 1208 OD1 ASP A 84 10.391 -6.570 -7.712 1.00 0.00 O ATOM 1209 OD2 ASP A 84 11.323 -5.882 -9.580 1.00 0.00 O ATOM 0 H ASP A 84 11.218 -2.119 -6.651 1.00 0.00 H new ATOM 0 HA ASP A 84 9.409 -3.446 -8.455 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.896 -3.770 -8.416 1.00 0.00 H new ATOM 0 HB3 ASP A 84 11.762 -4.489 -6.823 1.00 0.00 H new ATOM 1214 N GLU A 85 9.418 -4.216 -5.245 1.00 0.00 N ATOM 1215 CA GLU A 85 8.654 -4.883 -4.198 1.00 0.00 C ATOM 1216 C GLU A 85 7.267 -4.264 -4.057 1.00 0.00 C ATOM 1217 O GLU A 85 6.285 -4.966 -3.814 1.00 0.00 O ATOM 1218 CB GLU A 85 9.398 -4.803 -2.864 1.00 0.00 C ATOM 1219 CG GLU A 85 8.887 -5.784 -1.822 1.00 0.00 C ATOM 1220 CD GLU A 85 9.621 -5.666 -0.500 1.00 0.00 C ATOM 1221 OE1 GLU A 85 10.751 -6.186 -0.399 1.00 0.00 O ATOM 1222 OE2 GLU A 85 9.064 -5.051 0.434 1.00 0.00 O ATOM 0 H GLU A 85 10.229 -3.696 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 85 8.538 -5.930 -4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.458 -4.989 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 85 9.312 -3.790 -2.470 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.823 -5.613 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.992 -6.800 -2.202 1.00 0.00 H new ATOM 1229 N ALA A 86 7.194 -2.946 -4.210 1.00 0.00 N ATOM 1230 CA ALA A 86 5.927 -2.233 -4.099 1.00 0.00 C ATOM 1231 C ALA A 86 4.950 -2.678 -5.181 1.00 0.00 C ATOM 1232 O ALA A 86 3.789 -2.972 -4.900 1.00 0.00 O ATOM 1233 CB ALA A 86 6.160 -0.732 -4.180 1.00 0.00 C ATOM 0 H ALA A 86 7.997 -2.350 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 86 5.487 -2.471 -3.130 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.206 -0.211 -4.096 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.816 -0.421 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.624 -0.487 -5.135 1.00 0.00 H new ATOM 1239 N VAL A 87 5.427 -2.724 -6.421 1.00 0.00 N ATOM 1240 CA VAL A 87 4.595 -3.133 -7.546 1.00 0.00 C ATOM 1241 C VAL A 87 4.193 -4.598 -7.425 1.00 0.00 C ATOM 1242 O VAL A 87 3.114 -4.995 -7.869 1.00 0.00 O ATOM 1243 CB VAL A 87 5.319 -2.917 -8.889 1.00 0.00 C ATOM 1244 CG1 VAL A 87 4.384 -3.206 -10.056 1.00 0.00 C ATOM 1245 CG2 VAL A 87 5.874 -1.502 -8.977 1.00 0.00 C ATOM 0 H VAL A 87 6.386 -2.483 -6.672 1.00 0.00 H new ATOM 0 HA VAL A 87 3.701 -2.511 -7.522 1.00 0.00 H new ATOM 0 HB VAL A 87 6.155 -3.614 -8.944 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.914 -3.048 -10.995 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.043 -4.240 -10.002 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.524 -2.538 -10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.382 -1.369 -9.932 1.00 0.00 H new ATOM 0 HG22 VAL A 87 5.057 -0.785 -8.897 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.582 -1.337 -8.164 1.00 0.00 H new ATOM 1255 N ARG A 88 5.066 -5.400 -6.824 1.00 0.00 N ATOM 1256 CA ARG A 88 4.801 -6.823 -6.646 1.00 0.00 C ATOM 1257 C ARG A 88 3.906 -7.062 -5.434 1.00 0.00 C ATOM 1258 O ARG A 88 3.045 -7.941 -5.449 1.00 0.00 O ATOM 1259 CB ARG A 88 6.116 -7.591 -6.490 1.00 0.00 C ATOM 1260 CG ARG A 88 6.305 -8.686 -7.527 1.00 0.00 C ATOM 1261 CD ARG A 88 7.258 -8.252 -8.629 1.00 0.00 C ATOM 1262 NE ARG A 88 7.296 -9.212 -9.730 1.00 0.00 N ATOM 1263 CZ ARG A 88 7.965 -10.361 -9.689 1.00 0.00 C ATOM 1264 NH1 ARG A 88 8.654 -10.697 -8.605 1.00 0.00 N ATOM 1265 NH2 ARG A 88 7.945 -11.177 -10.733 1.00 0.00 N ATOM 0 H ARG A 88 5.963 -5.089 -6.452 1.00 0.00 H new ATOM 0 HA ARG A 88 4.281 -7.186 -7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.948 -6.890 -6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.153 -8.034 -5.495 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.691 -9.584 -7.044 1.00 0.00 H new ATOM 0 HG3 ARG A 88 5.340 -8.948 -7.961 1.00 0.00 H new ATOM 0 HD2 ARG A 88 6.953 -7.277 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.260 -8.134 -8.216 1.00 0.00 H new ATOM 0 HE ARG A 88 6.779 -8.988 -10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.672 -10.073 -7.798 1.00 0.00 H new ATOM 0 HH12 ARG A 88 9.165 -11.579 -8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 88 7.417 -10.924 -11.568 1.00 0.00 H new ATOM 0 HH22 ARG A 88 8.458 -12.058 -10.702 1.00 0.00 H new ATOM 1279 N LEU A 89 4.117 -6.274 -4.384 1.00 0.00 N ATOM 1280 CA LEU A 89 3.330 -6.400 -3.163 1.00 0.00 C ATOM 1281 C LEU A 89 1.871 -6.035 -3.415 1.00 0.00 C ATOM 1282 O LEU A 89 0.965 -6.812 -3.115 1.00 0.00 O ATOM 1283 CB LEU A 89 3.910 -5.508 -2.063 1.00 0.00 C ATOM 1284 CG LEU A 89 3.306 -5.718 -0.673 1.00 0.00 C ATOM 1285 CD1 LEU A 89 3.803 -7.022 -0.068 1.00 0.00 C ATOM 1286 CD2 LEU A 89 3.639 -4.544 0.234 1.00 0.00 C ATOM 0 H LEU A 89 4.826 -5.542 -4.355 1.00 0.00 H new ATOM 0 HA LEU A 89 3.374 -7.440 -2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.985 -5.681 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.770 -4.466 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 89 2.222 -5.778 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.363 -7.155 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.513 -7.854 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.889 -6.992 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.202 -4.710 1.219 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.721 -4.452 0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.233 -3.627 -0.194 1.00 0.00 H new ATOM 1298 N LEU A 90 1.651 -4.846 -3.966 1.00 0.00 N ATOM 1299 CA LEU A 90 0.301 -4.375 -4.257 1.00 0.00 C ATOM 1300 C LEU A 90 -0.406 -5.318 -5.226 1.00 0.00 C ATOM 1301 O LEU A 90 -1.618 -5.513 -5.144 1.00 0.00 O ATOM 1302 CB LEU A 90 0.346 -2.963 -4.843 1.00 0.00 C ATOM 1303 CG LEU A 90 0.712 -1.860 -3.848 1.00 0.00 C ATOM 1304 CD1 LEU A 90 0.977 -0.551 -4.574 1.00 0.00 C ATOM 1305 CD2 LEU A 90 -0.393 -1.686 -2.817 1.00 0.00 C ATOM 0 H LEU A 90 2.390 -4.191 -4.220 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.260 -4.355 -3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.067 -2.948 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.629 -2.734 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 90 1.624 -2.153 -3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.236 0.221 -3.849 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.802 -0.683 -5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.083 -0.251 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.117 -0.898 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.321 -1.415 -3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.534 -2.620 -2.274 1.00 0.00 H new ATOM 1317 N LYS A 91 0.360 -5.899 -6.145 1.00 0.00 N ATOM 1318 CA LYS A 91 -0.194 -6.820 -7.130 1.00 0.00 C ATOM 1319 C LYS A 91 0.098 -8.268 -6.744 1.00 0.00 C ATOM 1320 O LYS A 91 0.707 -9.016 -7.510 1.00 0.00 O ATOM 1321 CB LYS A 91 0.380 -6.521 -8.517 1.00 0.00 C ATOM 1322 CG LYS A 91 0.417 -5.039 -8.854 1.00 0.00 C ATOM 1323 CD LYS A 91 -0.984 -4.466 -8.998 1.00 0.00 C ATOM 1324 CE LYS A 91 -1.005 -3.280 -9.949 1.00 0.00 C ATOM 1325 NZ LYS A 91 -1.267 -3.698 -11.353 1.00 0.00 N ATOM 0 H LYS A 91 1.365 -5.748 -6.227 1.00 0.00 H new ATOM 0 HA LYS A 91 -1.275 -6.681 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.391 -6.924 -8.577 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.216 -7.041 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.953 -4.500 -8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.970 -4.889 -9.781 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.659 -5.240 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.354 -4.157 -8.021 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -1.772 -2.574 -9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.050 -2.757 -9.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.807 -2.955 -11.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.363 -3.849 -11.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -1.814 -4.582 -11.356 1.00 0.00 H new ATOM 1339 N SER A 92 -0.342 -8.657 -5.552 1.00 0.00 N ATOM 1340 CA SER A 92 -0.129 -10.014 -5.064 1.00 0.00 C ATOM 1341 C SER A 92 -1.225 -10.420 -4.085 1.00 0.00 C ATOM 1342 O SER A 92 -2.000 -11.339 -4.350 1.00 0.00 O ATOM 1343 CB SER A 92 1.240 -10.128 -4.391 1.00 0.00 C ATOM 1344 OG SER A 92 1.451 -11.434 -3.882 1.00 0.00 O ATOM 0 H SER A 92 -0.848 -8.051 -4.906 1.00 0.00 H new ATOM 0 HA SER A 92 -0.163 -10.689 -5.919 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.023 -9.883 -5.109 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.312 -9.402 -3.581 1.00 0.00 H new ATOM 0 HG SER A 92 2.333 -11.481 -3.458 1.00 0.00 H new ATOM 1350 N SER A 93 -1.285 -9.727 -2.952 1.00 0.00 N ATOM 1351 CA SER A 93 -2.288 -10.014 -1.932 1.00 0.00 C ATOM 1352 C SER A 93 -3.695 -9.796 -2.478 1.00 0.00 C ATOM 1353 O SER A 93 -3.911 -8.954 -3.350 1.00 0.00 O ATOM 1354 CB SER A 93 -2.062 -9.134 -0.702 1.00 0.00 C ATOM 1355 OG SER A 93 -3.076 -9.340 0.266 1.00 0.00 O ATOM 0 H SER A 93 -0.651 -8.963 -2.717 1.00 0.00 H new ATOM 0 HA SER A 93 -2.188 -11.060 -1.643 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.088 -9.356 -0.266 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.046 -8.085 -0.999 1.00 0.00 H new ATOM 0 HG SER A 93 -3.584 -8.511 0.389 1.00 0.00 H new ATOM 1361 N ARG A 94 -4.651 -10.559 -1.957 1.00 0.00 N ATOM 1362 CA ARG A 94 -6.039 -10.449 -2.391 1.00 0.00 C ATOM 1363 C ARG A 94 -6.706 -9.226 -1.769 1.00 0.00 C ATOM 1364 O ARG A 94 -7.593 -8.617 -2.369 1.00 0.00 O ATOM 1365 CB ARG A 94 -6.815 -11.713 -2.018 1.00 0.00 C ATOM 1366 CG ARG A 94 -6.779 -12.032 -0.532 1.00 0.00 C ATOM 1367 CD ARG A 94 -5.738 -13.093 -0.210 1.00 0.00 C ATOM 1368 NE ARG A 94 -6.309 -14.214 0.531 1.00 0.00 N ATOM 1369 CZ ARG A 94 -7.083 -15.147 -0.017 1.00 0.00 C ATOM 1370 NH1 ARG A 94 -7.382 -15.097 -1.310 1.00 0.00 N ATOM 1371 NH2 ARG A 94 -7.561 -16.134 0.729 1.00 0.00 N ATOM 0 H ARG A 94 -4.490 -11.260 -1.234 1.00 0.00 H new ATOM 0 HA ARG A 94 -6.047 -10.335 -3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.853 -11.598 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.406 -12.558 -2.573 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.559 -11.124 0.030 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.762 -12.377 -0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.295 -13.459 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.933 -12.646 0.373 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.102 -14.286 1.527 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.018 -14.340 -1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.976 -15.815 -1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.335 -16.178 1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -8.154 -16.849 0.309 1.00 0.00 H new ATOM 1385 N HIS A 95 -6.274 -8.872 -0.563 1.00 0.00 N ATOM 1386 CA HIS A 95 -6.830 -7.722 0.142 1.00 0.00 C ATOM 1387 C HIS A 95 -5.815 -6.586 0.210 1.00 0.00 C ATOM 1388 O HIS A 95 -4.692 -6.769 0.678 1.00 0.00 O ATOM 1389 CB HIS A 95 -7.260 -8.122 1.553 1.00 0.00 C ATOM 1390 CG HIS A 95 -8.428 -7.338 2.067 1.00 0.00 C ATOM 1391 ND1 HIS A 95 -9.400 -7.882 2.881 1.00 0.00 N ATOM 1392 CD2 HIS A 95 -8.779 -6.044 1.879 1.00 0.00 C ATOM 1393 CE1 HIS A 95 -10.297 -6.956 3.170 1.00 0.00 C ATOM 1394 NE2 HIS A 95 -9.943 -5.832 2.576 1.00 0.00 N ATOM 0 H HIS A 95 -5.541 -9.365 -0.053 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.703 -7.374 -0.411 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.513 -9.182 1.560 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -6.417 -7.991 2.232 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -9.423 -8.848 3.208 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -8.243 -5.314 1.290 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.172 -7.095 3.788 1.00 0.00 H new ATOM 1403 N LEU A 96 -6.218 -5.410 -0.263 1.00 0.00 N ATOM 1404 CA LEU A 96 -5.343 -4.243 -0.255 1.00 0.00 C ATOM 1405 C LEU A 96 -6.038 -3.044 0.380 1.00 0.00 C ATOM 1406 O LEU A 96 -7.119 -2.641 -0.048 1.00 0.00 O ATOM 1407 CB LEU A 96 -4.908 -3.899 -1.681 1.00 0.00 C ATOM 1408 CG LEU A 96 -4.467 -5.093 -2.529 1.00 0.00 C ATOM 1409 CD1 LEU A 96 -4.137 -4.650 -3.945 1.00 0.00 C ATOM 1410 CD2 LEU A 96 -3.270 -5.785 -1.891 1.00 0.00 C ATOM 0 H LEU A 96 -7.144 -5.241 -0.656 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.462 -4.484 0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -5.735 -3.400 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.086 -3.185 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 96 -5.291 -5.805 -2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.825 -5.513 -4.533 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -5.019 -4.200 -4.400 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.329 -3.918 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.969 -6.632 -2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.442 -5.081 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.541 -6.138 -0.896 1.00 0.00 H new ATOM 1422 N ILE A 97 -5.409 -2.478 1.405 1.00 0.00 N ATOM 1423 CA ILE A 97 -5.965 -1.323 2.100 1.00 0.00 C ATOM 1424 C ILE A 97 -5.020 -0.129 2.020 1.00 0.00 C ATOM 1425 O ILE A 97 -4.384 0.243 3.006 1.00 0.00 O ATOM 1426 CB ILE A 97 -6.250 -1.642 3.581 1.00 0.00 C ATOM 1427 CG1 ILE A 97 -7.057 -2.937 3.704 1.00 0.00 C ATOM 1428 CG2 ILE A 97 -6.990 -0.486 4.240 1.00 0.00 C ATOM 1429 CD1 ILE A 97 -6.531 -3.878 4.766 1.00 0.00 C ATOM 0 H ILE A 97 -4.514 -2.801 1.773 1.00 0.00 H new ATOM 0 HA ILE A 97 -6.903 -1.075 1.604 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.299 -1.780 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.094 -2.689 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.055 -3.450 2.742 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.184 -0.727 5.285 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.381 0.416 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.936 -0.319 3.725 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.151 -4.774 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.504 -4.155 4.530 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.559 -3.383 5.737 1.00 0.00 H new ATOM 1441 N LEU A 98 -4.931 0.469 0.835 1.00 0.00 N ATOM 1442 CA LEU A 98 -4.062 1.622 0.624 1.00 0.00 C ATOM 1443 C LEU A 98 -4.502 2.800 1.486 1.00 0.00 C ATOM 1444 O LEU A 98 -5.690 2.977 1.755 1.00 0.00 O ATOM 1445 CB LEU A 98 -4.064 2.025 -0.851 1.00 0.00 C ATOM 1446 CG LEU A 98 -3.493 0.979 -1.810 1.00 0.00 C ATOM 1447 CD1 LEU A 98 -4.611 0.155 -2.429 1.00 0.00 C ATOM 1448 CD2 LEU A 98 -2.658 1.646 -2.893 1.00 0.00 C ATOM 0 H LEU A 98 -5.449 0.174 0.007 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.050 1.341 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.088 2.248 -1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.492 2.946 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.847 0.309 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.185 -0.584 -3.108 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.167 -0.354 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.283 0.811 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.260 0.886 -3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.281 2.340 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.834 2.191 -2.433 1.00 0.00 H new ATOM 1460 N THR A 99 -3.535 3.604 1.917 1.00 0.00 N ATOM 1461 CA THR A 99 -3.821 4.766 2.749 1.00 0.00 C ATOM 1462 C THR A 99 -3.284 6.041 2.105 1.00 0.00 C ATOM 1463 O THR A 99 -2.211 6.526 2.463 1.00 0.00 O ATOM 1464 CB THR A 99 -3.209 4.588 4.140 1.00 0.00 C ATOM 1465 OG1 THR A 99 -3.321 3.243 4.567 1.00 0.00 O ATOM 1466 CG2 THR A 99 -3.855 5.461 5.194 1.00 0.00 C ATOM 0 H THR A 99 -2.546 3.471 1.703 1.00 0.00 H new ATOM 0 HA THR A 99 -4.903 4.855 2.845 1.00 0.00 H new ATOM 0 HB THR A 99 -2.165 4.884 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.678 2.689 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.374 5.286 6.156 1.00 0.00 H new ATOM 0 HG22 THR A 99 -3.742 6.509 4.917 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.915 5.218 5.268 1.00 0.00 H new ATOM 1474 N VAL A 100 -4.039 6.577 1.151 1.00 0.00 N ATOM 1475 CA VAL A 100 -3.640 7.795 0.455 1.00 0.00 C ATOM 1476 C VAL A 100 -4.266 9.026 1.100 1.00 0.00 C ATOM 1477 O VAL A 100 -5.320 8.941 1.731 1.00 0.00 O ATOM 1478 CB VAL A 100 -4.039 7.750 -1.031 1.00 0.00 C ATOM 1479 CG1 VAL A 100 -3.242 6.684 -1.767 1.00 0.00 C ATOM 1480 CG2 VAL A 100 -5.533 7.504 -1.175 1.00 0.00 C ATOM 0 H VAL A 100 -4.930 6.187 0.843 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.555 7.860 0.530 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.808 8.716 -1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.538 6.668 -2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -2.178 6.910 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.438 5.710 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.797 7.475 -2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.791 6.552 -0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.083 8.308 -0.686 1.00 0.00 H new ATOM 1490 N LYS A 101 -3.613 10.171 0.937 1.00 0.00 N ATOM 1491 CA LYS A 101 -4.107 11.421 1.502 1.00 0.00 C ATOM 1492 C LYS A 101 -4.804 12.262 0.436 1.00 0.00 C ATOM 1493 O LYS A 101 -4.737 11.952 -0.753 1.00 0.00 O ATOM 1494 CB LYS A 101 -2.956 12.215 2.123 1.00 0.00 C ATOM 1495 CG LYS A 101 -1.853 12.561 1.138 1.00 0.00 C ATOM 1496 CD LYS A 101 -0.778 13.423 1.782 1.00 0.00 C ATOM 1497 CE LYS A 101 -0.390 14.590 0.890 1.00 0.00 C ATOM 1498 NZ LYS A 101 0.829 14.295 0.086 1.00 0.00 N ATOM 0 H LYS A 101 -2.740 10.259 0.418 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.832 11.178 2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.351 13.136 2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.530 11.639 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.405 11.644 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.279 13.087 0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.138 13.800 2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.102 12.814 1.989 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.218 14.826 0.221 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.215 15.473 1.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.060 15.116 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.626 14.095 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.654 13.468 -0.519 1.00 0.00 H new ATOM 1512 N ASP A 102 -5.471 13.325 0.871 1.00 0.00 N ATOM 1513 CA ASP A 102 -6.181 14.209 -0.045 1.00 0.00 C ATOM 1514 C ASP A 102 -5.204 15.074 -0.834 1.00 0.00 C ATOM 1515 O ASP A 102 -4.787 16.137 -0.372 1.00 0.00 O ATOM 1516 CB ASP A 102 -7.159 15.097 0.726 1.00 0.00 C ATOM 1517 CG ASP A 102 -8.540 14.481 0.829 1.00 0.00 C ATOM 1518 OD1 ASP A 102 -9.236 14.405 -0.206 1.00 0.00 O ATOM 1519 OD2 ASP A 102 -8.928 14.074 1.944 1.00 0.00 O ATOM 0 H ASP A 102 -5.535 13.595 1.852 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.739 13.590 -0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.769 15.278 1.728 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -7.232 16.066 0.233 1.00 0.00 H new