USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 662 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 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 102 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.33) USER MOD Single : A 22 ASN : amide:sc= -6.94! C(o=-6.9!,f=-12!) USER MOD Single : A 25 GLN : amide:sc= -0.343 X(o=-0.34,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -163:sc= 0 (180deg=-0.229) USER MOD Single : A 41 GLN : amide:sc= -9.93! K(o=-9.9!,f=-3.6) USER MOD Single : A 42 LYS NZ :NH3+ 152:sc= -0.245 (180deg=-1.4!) USER MOD Single : A 44 THR OG1 : rot 126:sc= 1.12 USER MOD Single : A 51 LYS NZ :NH3+ -140:sc= -0.0146 (180deg=-0.405) USER MOD Single : A 52 SER OG : rot 180:sc= -1.81 USER MOD Single : A 55 SER OG : rot -61:sc= 0.38 USER MOD Single : A 58 MET CE :methyl 153:sc= -0.26 (180deg=-1.51!) USER MOD Single : A 59 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0356) USER MOD Single : A 63 HIS : no HD1:sc= -3.7! C(o=-3.7!,f=-5.4!) USER MOD Single : A 71 GLN : amide:sc= -2.55 K(o=-2.6,f=-3.5!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.24!) USER MOD Single : A 83 LYS NZ :NH3+ 166:sc= -0.0105 (180deg=-0.34) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -7.27! C(o=-7.3!,f=-3.6!) USER MOD Single : A 93 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.38) USER MOD Single : A 95 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.054) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.00316 USER MOD Single : A 97 THR OG1 : rot 76:sc= 0.597 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.0745 X(o=-0.075,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0297 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 -0.075 -17.027 5.658 1.00 0.00 N ATOM 276 CA ASN A 22 -0.134 -17.010 4.198 1.00 0.00 C ATOM 277 C ASN A 22 -0.852 -15.760 3.709 1.00 0.00 C ATOM 278 O ASN A 22 -0.371 -14.638 3.872 1.00 0.00 O ATOM 279 CB ASN A 22 -0.891 -18.253 3.710 1.00 0.00 C ATOM 280 CG ASN A 22 -0.964 -18.268 2.189 1.00 0.00 C ATOM 281 OD1 ASN A 22 0.000 -17.907 1.516 1.00 0.00 O ATOM 282 ND2 ASN A 22 -2.057 -18.677 1.603 1.00 0.00 N ATOM 0 HA ASN A 22 0.882 -17.010 3.803 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.391 -19.154 4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.897 -18.261 4.129 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.113 -18.698 0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.855 -18.976 2.164 1.00 0.00 H new ATOM 289 N ALA A 23 -2.003 -15.981 3.105 1.00 0.00 N ATOM 290 CA ALA A 23 -2.818 -14.901 2.570 1.00 0.00 C ATOM 291 C ALA A 23 -3.213 -13.911 3.664 1.00 0.00 C ATOM 292 O ALA A 23 -3.452 -12.735 3.392 1.00 0.00 O ATOM 293 CB ALA A 23 -4.074 -15.499 1.950 1.00 0.00 C ATOM 0 H ALA A 23 -2.401 -16.910 2.970 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.239 -14.362 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.695 -14.700 1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.794 -16.183 1.149 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.633 -16.042 2.712 1.00 0.00 H new ATOM 299 N ALA A 24 -3.292 -14.391 4.896 1.00 0.00 N ATOM 300 CA ALA A 24 -3.667 -13.528 6.011 1.00 0.00 C ATOM 301 C ALA A 24 -2.580 -12.485 6.262 1.00 0.00 C ATOM 302 O ALA A 24 -2.833 -11.279 6.205 1.00 0.00 O ATOM 303 CB ALA A 24 -3.889 -14.381 7.265 1.00 0.00 C ATOM 0 H ALA A 24 -3.104 -15.361 5.150 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.592 -13.006 5.766 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.169 -13.737 8.098 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.686 -15.101 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.970 -14.913 7.511 1.00 0.00 H new ATOM 309 N GLN A 25 -1.369 -12.958 6.534 1.00 0.00 N ATOM 310 CA GLN A 25 -0.248 -12.070 6.787 1.00 0.00 C ATOM 311 C GLN A 25 -0.081 -11.082 5.634 1.00 0.00 C ATOM 312 O GLN A 25 0.430 -9.977 5.817 1.00 0.00 O ATOM 313 CB GLN A 25 1.011 -12.915 6.953 1.00 0.00 C ATOM 314 CG GLN A 25 2.253 -12.020 7.056 1.00 0.00 C ATOM 315 CD GLN A 25 3.394 -12.765 7.755 1.00 0.00 C ATOM 316 OE1 GLN A 25 4.230 -12.139 8.406 1.00 0.00 O ATOM 317 NE2 GLN A 25 3.482 -14.070 7.665 1.00 0.00 N ATOM 0 H GLN A 25 -1.142 -13.951 6.584 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.428 -11.495 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.926 -13.532 7.847 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.114 -13.593 6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.569 -11.711 6.060 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.010 -11.113 7.609 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.791 -14.592 7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.242 -14.563 8.134 1.00 0.00 H new ATOM 326 N VAL A 26 -0.531 -11.488 4.450 1.00 0.00 N ATOM 327 CA VAL A 26 -0.446 -10.631 3.272 1.00 0.00 C ATOM 328 C VAL A 26 -1.421 -9.459 3.417 1.00 0.00 C ATOM 329 O VAL A 26 -1.008 -8.301 3.483 1.00 0.00 O ATOM 330 CB VAL A 26 -0.770 -11.459 2.005 1.00 0.00 C ATOM 331 CG1 VAL A 26 -1.344 -10.570 0.891 1.00 0.00 C ATOM 332 CG2 VAL A 26 0.501 -12.141 1.491 1.00 0.00 C ATOM 0 H VAL A 26 -0.956 -12.400 4.281 1.00 0.00 H new ATOM 0 HA VAL A 26 0.564 -10.232 3.179 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.515 -12.207 2.276 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.561 -11.180 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.261 -10.096 1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.617 -9.802 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.267 -12.722 0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 26 1.246 -11.384 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.896 -12.803 2.262 1.00 0.00 H new ATOM 342 N LYS A 27 -2.715 -9.778 3.458 1.00 0.00 N ATOM 343 CA LYS A 27 -3.753 -8.755 3.588 1.00 0.00 C ATOM 344 C LYS A 27 -3.303 -7.634 4.524 1.00 0.00 C ATOM 345 O LYS A 27 -3.414 -6.448 4.196 1.00 0.00 O ATOM 346 CB LYS A 27 -5.038 -9.385 4.135 1.00 0.00 C ATOM 347 CG LYS A 27 -5.705 -10.257 3.061 1.00 0.00 C ATOM 348 CD LYS A 27 -7.159 -10.535 3.455 1.00 0.00 C ATOM 349 CE LYS A 27 -7.196 -11.327 4.762 1.00 0.00 C ATOM 350 NZ LYS A 27 -8.561 -11.890 4.962 1.00 0.00 N ATOM 0 H LYS A 27 -3.069 -10.733 3.403 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.938 -8.332 2.600 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.809 -9.989 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.726 -8.603 4.457 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.669 -9.753 2.095 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.162 -11.195 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.700 -9.596 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.659 -11.095 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.460 -12.130 4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.931 -10.681 5.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.587 -12.429 5.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.253 -11.115 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.797 -12.519 4.168 1.00 0.00 H new ATOM 364 N ASP A 28 -2.789 -8.017 5.687 1.00 0.00 N ATOM 365 CA ASP A 28 -2.320 -7.037 6.657 1.00 0.00 C ATOM 366 C ASP A 28 -1.217 -6.177 6.050 1.00 0.00 C ATOM 367 O ASP A 28 -1.163 -4.968 6.273 1.00 0.00 O ATOM 368 CB ASP A 28 -1.789 -7.748 7.902 1.00 0.00 C ATOM 369 CG ASP A 28 -1.323 -6.721 8.929 1.00 0.00 C ATOM 370 OD1 ASP A 28 -2.008 -5.725 9.094 1.00 0.00 O ATOM 371 OD2 ASP A 28 -0.288 -6.945 9.534 1.00 0.00 O ATOM 0 H ASP A 28 -2.687 -8.989 5.979 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.156 -6.396 6.936 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.568 -8.377 8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.962 -8.405 7.631 1.00 0.00 H new ATOM 376 N ALA A 29 -0.338 -6.813 5.282 1.00 0.00 N ATOM 377 CA ALA A 29 0.765 -6.103 4.649 1.00 0.00 C ATOM 378 C ALA A 29 0.272 -5.259 3.476 1.00 0.00 C ATOM 379 O ALA A 29 0.980 -4.369 3.003 1.00 0.00 O ATOM 380 CB ALA A 29 1.812 -7.102 4.152 1.00 0.00 C ATOM 0 H ALA A 29 -0.368 -7.813 5.084 1.00 0.00 H new ATOM 0 HA ALA A 29 1.211 -5.441 5.391 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.634 -6.563 3.680 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.193 -7.679 4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.356 -7.776 3.427 1.00 0.00 H new ATOM 386 N LEU A 30 -0.942 -5.539 3.008 1.00 0.00 N ATOM 387 CA LEU A 30 -1.502 -4.795 1.892 1.00 0.00 C ATOM 388 C LEU A 30 -1.851 -3.380 2.343 1.00 0.00 C ATOM 389 O LEU A 30 -1.341 -2.396 1.806 1.00 0.00 O ATOM 390 CB LEU A 30 -2.776 -5.526 1.373 1.00 0.00 C ATOM 391 CG LEU A 30 -2.694 -5.839 -0.154 1.00 0.00 C ATOM 392 CD1 LEU A 30 -2.331 -7.313 -0.385 1.00 0.00 C ATOM 393 CD2 LEU A 30 -4.049 -5.557 -0.825 1.00 0.00 C ATOM 0 H LEU A 30 -1.549 -6.269 3.382 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.771 -4.736 1.085 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.910 -6.456 1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.653 -4.909 1.569 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.923 -5.202 -0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.279 -7.511 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.364 -7.525 0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.092 -7.950 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.981 -5.779 -1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.817 -6.184 -0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.311 -4.508 -0.689 1.00 0.00 H new ATOM 405 N THR A 31 -2.730 -3.295 3.331 1.00 0.00 N ATOM 406 CA THR A 31 -3.148 -2.004 3.848 1.00 0.00 C ATOM 407 C THR A 31 -1.968 -1.283 4.476 1.00 0.00 C ATOM 408 O THR A 31 -1.939 -0.056 4.543 1.00 0.00 O ATOM 409 CB THR A 31 -4.245 -2.189 4.886 1.00 0.00 C ATOM 410 OG1 THR A 31 -4.592 -0.928 5.438 1.00 0.00 O ATOM 411 CG2 THR A 31 -3.738 -3.115 5.990 1.00 0.00 C ATOM 0 H THR A 31 -3.163 -4.098 3.786 1.00 0.00 H new ATOM 0 HA THR A 31 -3.532 -1.405 3.022 1.00 0.00 H new ATOM 0 HB THR A 31 -5.126 -2.629 4.418 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.300 -1.047 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.519 -3.252 6.737 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.473 -4.081 5.561 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.859 -2.673 6.460 1.00 0.00 H new ATOM 419 N LYS A 32 -0.989 -2.054 4.931 1.00 0.00 N ATOM 420 CA LYS A 32 0.197 -1.471 5.542 1.00 0.00 C ATOM 421 C LYS A 32 0.747 -0.388 4.625 1.00 0.00 C ATOM 422 O LYS A 32 0.827 0.782 5.002 1.00 0.00 O ATOM 423 CB LYS A 32 1.256 -2.554 5.774 1.00 0.00 C ATOM 424 CG LYS A 32 2.463 -1.972 6.535 1.00 0.00 C ATOM 425 CD LYS A 32 2.083 -1.630 8.006 1.00 0.00 C ATOM 426 CE LYS A 32 2.082 -0.109 8.225 1.00 0.00 C ATOM 427 NZ LYS A 32 1.458 0.204 9.542 1.00 0.00 N ATOM 0 H LYS A 32 -0.992 -3.073 4.889 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.066 -1.034 6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.824 -3.378 6.341 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.583 -2.962 4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.284 -2.689 6.525 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.818 -1.074 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.098 -2.037 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.790 -2.101 8.689 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.102 0.274 8.194 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.532 0.384 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.457 1.233 9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.480 -0.148 9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.001 -0.255 10.301 1.00 0.00 H new ATOM 441 N MET A 33 1.099 -0.784 3.407 1.00 0.00 N ATOM 442 CA MET A 33 1.613 0.165 2.431 1.00 0.00 C ATOM 443 C MET A 33 0.560 1.235 2.166 1.00 0.00 C ATOM 444 O MET A 33 0.792 2.420 2.403 1.00 0.00 O ATOM 445 CB MET A 33 1.965 -0.556 1.129 1.00 0.00 C ATOM 446 CG MET A 33 3.190 -1.445 1.353 1.00 0.00 C ATOM 447 SD MET A 33 3.470 -2.467 -0.121 1.00 0.00 S ATOM 448 CE MET A 33 3.520 -4.085 0.691 1.00 0.00 C ATOM 0 H MET A 33 1.038 -1.747 3.075 1.00 0.00 H new ATOM 0 HA MET A 33 2.516 0.633 2.824 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.121 -1.159 0.795 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.169 0.170 0.342 1.00 0.00 H new ATOM 0 HG2 MET A 33 4.067 -0.830 1.555 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.038 -2.080 2.226 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.976 -4.814 0.021 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.108 -4.015 1.606 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.506 -4.401 0.935 1.00 0.00 H new ATOM 458 N ARG A 34 -0.606 0.802 1.684 1.00 0.00 N ATOM 459 CA ARG A 34 -1.712 1.720 1.399 1.00 0.00 C ATOM 460 C ARG A 34 -1.766 2.858 2.420 1.00 0.00 C ATOM 461 O ARG A 34 -1.561 4.024 2.080 1.00 0.00 O ATOM 462 CB ARG A 34 -3.034 0.950 1.451 1.00 0.00 C ATOM 463 CG ARG A 34 -4.134 1.739 0.733 1.00 0.00 C ATOM 464 CD ARG A 34 -5.417 0.895 0.669 1.00 0.00 C ATOM 465 NE ARG A 34 -6.585 1.764 0.564 1.00 0.00 N ATOM 466 CZ ARG A 34 -6.809 2.486 -0.528 1.00 0.00 C ATOM 467 NH1 ARG A 34 -5.982 2.422 -1.535 1.00 0.00 N ATOM 468 NH2 ARG A 34 -7.860 3.258 -0.595 1.00 0.00 N ATOM 0 H ARG A 34 -0.810 -0.177 1.483 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.553 2.146 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.913 -0.027 0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.320 0.774 2.488 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.328 2.674 1.259 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.809 2.002 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.377 0.222 -0.188 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.497 0.272 1.560 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.241 1.818 1.343 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.162 1.817 -1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.155 2.977 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.508 3.306 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.033 3.813 -1.433 1.00 0.00 H new ATOM 482 N ALA A 35 -2.056 2.505 3.671 1.00 0.00 N ATOM 483 CA ALA A 35 -2.150 3.498 4.735 1.00 0.00 C ATOM 484 C ALA A 35 -0.887 4.347 4.801 1.00 0.00 C ATOM 485 O ALA A 35 -0.924 5.500 5.230 1.00 0.00 O ATOM 486 CB ALA A 35 -2.368 2.801 6.079 1.00 0.00 C ATOM 0 H ALA A 35 -2.229 1.545 3.970 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.996 4.150 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.437 3.548 6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.292 2.223 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.530 2.134 6.283 1.00 0.00 H new ATOM 492 N ALA A 36 0.231 3.776 4.368 1.00 0.00 N ATOM 493 CA ALA A 36 1.497 4.498 4.383 1.00 0.00 C ATOM 494 C ALA A 36 1.509 5.537 3.272 1.00 0.00 C ATOM 495 O ALA A 36 1.940 6.673 3.472 1.00 0.00 O ATOM 496 CB ALA A 36 2.669 3.523 4.206 1.00 0.00 C ATOM 0 H ALA A 36 0.287 2.824 4.005 1.00 0.00 H new ATOM 0 HA ALA A 36 1.606 5.001 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.608 4.076 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.664 2.797 5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.568 3.002 3.254 1.00 0.00 H new ATOM 502 N ALA A 37 1.016 5.143 2.105 1.00 0.00 N ATOM 503 CA ALA A 37 0.958 6.052 0.973 1.00 0.00 C ATOM 504 C ALA A 37 0.014 7.203 1.288 1.00 0.00 C ATOM 505 O ALA A 37 0.351 8.369 1.082 1.00 0.00 O ATOM 506 CB ALA A 37 0.471 5.313 -0.274 1.00 0.00 C ATOM 0 H ALA A 37 0.654 4.208 1.920 1.00 0.00 H new ATOM 0 HA ALA A 37 1.957 6.444 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.432 6.005 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.158 4.499 -0.506 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.524 4.908 -0.091 1.00 0.00 H new ATOM 512 N LEU A 38 -1.167 6.871 1.806 1.00 0.00 N ATOM 513 CA LEU A 38 -2.144 7.905 2.156 1.00 0.00 C ATOM 514 C LEU A 38 -1.595 8.764 3.299 1.00 0.00 C ATOM 515 O LEU A 38 -1.567 9.996 3.219 1.00 0.00 O ATOM 516 CB LEU A 38 -3.489 7.264 2.576 1.00 0.00 C ATOM 517 CG LEU A 38 -4.386 7.049 1.348 1.00 0.00 C ATOM 518 CD1 LEU A 38 -3.727 6.064 0.380 1.00 0.00 C ATOM 519 CD2 LEU A 38 -5.734 6.483 1.803 1.00 0.00 C ATOM 0 H LEU A 38 -1.469 5.914 1.991 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.320 8.532 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.306 6.311 3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.996 7.906 3.297 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.533 8.003 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.372 5.919 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.766 6.462 0.055 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.573 5.109 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.375 6.328 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.576 5.532 2.312 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.211 7.185 2.486 1.00 0.00 H new ATOM 531 N ASP A 39 -1.161 8.101 4.358 1.00 0.00 N ATOM 532 CA ASP A 39 -0.614 8.797 5.513 1.00 0.00 C ATOM 533 C ASP A 39 0.469 9.789 5.089 1.00 0.00 C ATOM 534 O ASP A 39 0.378 10.982 5.369 1.00 0.00 O ATOM 535 CB ASP A 39 -0.030 7.774 6.493 1.00 0.00 C ATOM 536 CG ASP A 39 0.678 8.482 7.642 1.00 0.00 C ATOM 537 OD1 ASP A 39 1.819 8.874 7.458 1.00 0.00 O ATOM 538 OD2 ASP A 39 0.068 8.623 8.690 1.00 0.00 O ATOM 0 H ASP A 39 -1.176 7.085 4.443 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.415 9.355 5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.826 7.140 6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.671 7.122 5.972 1.00 0.00 H new ATOM 543 N ALA A 40 1.496 9.286 4.420 1.00 0.00 N ATOM 544 CA ALA A 40 2.599 10.137 3.979 1.00 0.00 C ATOM 545 C ALA A 40 2.116 11.268 3.072 1.00 0.00 C ATOM 546 O ALA A 40 2.589 12.400 3.176 1.00 0.00 O ATOM 547 CB ALA A 40 3.633 9.292 3.234 1.00 0.00 C ATOM 0 H ALA A 40 1.592 8.302 4.171 1.00 0.00 H new ATOM 0 HA ALA A 40 3.048 10.586 4.865 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.455 9.928 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.017 8.518 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.166 8.827 2.366 1.00 0.00 H new ATOM 553 N GLN A 41 1.190 10.955 2.176 1.00 0.00 N ATOM 554 CA GLN A 41 0.673 11.950 1.243 1.00 0.00 C ATOM 555 C GLN A 41 0.325 13.249 1.966 1.00 0.00 C ATOM 556 O GLN A 41 0.668 14.328 1.484 1.00 0.00 O ATOM 557 CB GLN A 41 -0.548 11.358 0.467 1.00 0.00 C ATOM 558 CG GLN A 41 -1.681 12.405 0.198 1.00 0.00 C ATOM 559 CD GLN A 41 -2.863 12.190 1.141 1.00 0.00 C ATOM 560 OE1 GLN A 41 -4.015 12.213 0.708 1.00 0.00 O ATOM 561 NE2 GLN A 41 -2.647 11.980 2.406 1.00 0.00 N ATOM 0 H GLN A 41 0.782 10.026 2.074 1.00 0.00 H new ATOM 0 HA GLN A 41 1.446 12.198 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.203 10.954 -0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.961 10.525 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.287 13.413 0.327 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.017 12.324 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.692 11.961 2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.432 11.834 3.040 1.00 0.00 H new ATOM 570 N LYS A 42 -0.386 13.170 3.088 1.00 0.00 N ATOM 571 CA LYS A 42 -0.783 14.398 3.781 1.00 0.00 C ATOM 572 C LYS A 42 -0.884 14.206 5.292 1.00 0.00 C ATOM 573 O LYS A 42 -1.722 14.828 5.947 1.00 0.00 O ATOM 574 CB LYS A 42 -2.139 14.871 3.210 1.00 0.00 C ATOM 575 CG LYS A 42 -2.178 16.407 3.097 1.00 0.00 C ATOM 576 CD LYS A 42 -1.566 16.861 1.754 1.00 0.00 C ATOM 577 CE LYS A 42 -2.630 16.833 0.648 1.00 0.00 C ATOM 578 NZ LYS A 42 -3.777 17.705 1.031 1.00 0.00 N ATOM 0 H LYS A 42 -0.692 12.302 3.527 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.013 15.151 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.301 14.425 2.229 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.949 14.528 3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.207 16.758 3.173 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.627 16.854 3.925 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.161 17.868 1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.735 16.208 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.199 17.175 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.975 15.812 0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.239 18.068 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.462 17.154 1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.431 18.503 1.602 1.00 0.00 H new ATOM 592 N ALA A 43 -0.019 13.367 5.842 1.00 0.00 N ATOM 593 CA ALA A 43 -0.013 13.127 7.298 1.00 0.00 C ATOM 594 C ALA A 43 1.414 13.180 7.849 1.00 0.00 C ATOM 595 O ALA A 43 1.693 13.918 8.794 1.00 0.00 O ATOM 596 CB ALA A 43 -0.663 11.770 7.625 1.00 0.00 C ATOM 0 H ALA A 43 0.683 12.842 5.320 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.596 13.915 7.775 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.649 11.610 8.703 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.694 11.765 7.270 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.107 10.972 7.133 1.00 0.00 H new ATOM 602 N THR A 44 2.312 12.391 7.259 1.00 0.00 N ATOM 603 CA THR A 44 3.709 12.349 7.694 1.00 0.00 C ATOM 604 C THR A 44 4.625 13.005 6.655 1.00 0.00 C ATOM 605 O THR A 44 5.269 12.304 5.876 1.00 0.00 O ATOM 606 CB THR A 44 4.129 10.890 7.889 1.00 0.00 C ATOM 607 OG1 THR A 44 3.271 10.278 8.843 1.00 0.00 O ATOM 608 CG2 THR A 44 5.571 10.829 8.386 1.00 0.00 C ATOM 0 H THR A 44 2.097 11.772 6.478 1.00 0.00 H new ATOM 0 HA THR A 44 3.800 12.898 8.631 1.00 0.00 H new ATOM 0 HB THR A 44 4.056 10.362 6.938 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.881 9.465 8.458 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.865 9.788 8.523 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.228 11.298 7.654 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.651 11.357 9.336 1.00 0.00 H new ATOM 616 N PRO A 45 4.701 14.322 6.620 1.00 0.00 N ATOM 617 CA PRO A 45 5.564 15.052 5.645 1.00 0.00 C ATOM 618 C PRO A 45 6.868 14.303 5.342 1.00 0.00 C ATOM 619 O PRO A 45 7.821 14.374 6.119 1.00 0.00 O ATOM 620 CB PRO A 45 5.833 16.368 6.365 1.00 0.00 C ATOM 621 CG PRO A 45 4.563 16.646 7.104 1.00 0.00 C ATOM 622 CD PRO A 45 3.985 15.274 7.500 1.00 0.00 C ATOM 0 HA PRO A 45 5.093 15.172 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.680 16.284 7.046 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.068 17.167 5.661 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.752 17.258 7.986 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.862 17.198 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.161 15.055 8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.907 15.233 7.341 1.00 0.00 H new ATOM 630 N PRO A 46 6.930 13.584 4.244 1.00 0.00 N ATOM 631 CA PRO A 46 8.141 12.806 3.856 1.00 0.00 C ATOM 632 C PRO A 46 9.140 13.641 3.049 1.00 0.00 C ATOM 633 O PRO A 46 9.893 14.438 3.609 1.00 0.00 O ATOM 634 CB PRO A 46 7.542 11.683 3.011 1.00 0.00 C ATOM 635 CG PRO A 46 6.396 12.332 2.296 1.00 0.00 C ATOM 636 CD PRO A 46 5.858 13.420 3.242 1.00 0.00 C ATOM 0 HA PRO A 46 8.718 12.459 4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.272 11.280 2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.205 10.853 3.632 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.723 12.765 1.351 1.00 0.00 H new ATOM 0 HG3 PRO A 46 5.621 11.603 2.061 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.663 14.351 2.710 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.920 13.116 3.707 1.00 0.00 H new ATOM 644 N LYS A 47 9.141 13.446 1.733 1.00 0.00 N ATOM 645 CA LYS A 47 10.048 14.173 0.851 1.00 0.00 C ATOM 646 C LYS A 47 9.483 15.552 0.517 1.00 0.00 C ATOM 647 O LYS A 47 10.196 16.408 -0.008 1.00 0.00 O ATOM 648 CB LYS A 47 10.258 13.363 -0.447 1.00 0.00 C ATOM 649 CG LYS A 47 11.472 12.433 -0.316 1.00 0.00 C ATOM 650 CD LYS A 47 11.278 11.467 0.855 1.00 0.00 C ATOM 651 CE LYS A 47 12.496 10.549 0.947 1.00 0.00 C ATOM 652 NZ LYS A 47 12.448 9.783 2.224 1.00 0.00 N ATOM 0 H LYS A 47 8.523 12.790 1.254 1.00 0.00 H new ATOM 0 HA LYS A 47 11.003 14.307 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.366 12.776 -0.663 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.403 14.043 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.610 11.872 -1.240 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.376 13.023 -0.164 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.153 12.022 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.372 10.878 0.712 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.512 9.863 0.100 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.412 11.137 0.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.277 9.159 2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.453 10.445 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.580 9.210 2.253 1.00 0.00 H new ATOM 666 N LEU A 48 8.207 15.768 0.819 1.00 0.00 N ATOM 667 CA LEU A 48 7.589 17.059 0.530 1.00 0.00 C ATOM 668 C LEU A 48 8.008 18.103 1.557 1.00 0.00 C ATOM 669 O LEU A 48 7.336 19.119 1.729 1.00 0.00 O ATOM 670 CB LEU A 48 6.060 16.937 0.511 1.00 0.00 C ATOM 671 CG LEU A 48 5.650 15.611 -0.136 1.00 0.00 C ATOM 672 CD1 LEU A 48 4.122 15.517 -0.174 1.00 0.00 C ATOM 673 CD2 LEU A 48 6.201 15.539 -1.563 1.00 0.00 C ATOM 0 H LEU A 48 7.590 15.082 1.255 1.00 0.00 H new ATOM 0 HA LEU A 48 7.931 17.378 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.670 16.992 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.627 17.771 -0.042 1.00 0.00 H new ATOM 0 HG LEU A 48 6.054 14.784 0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.827 14.574 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.729 15.564 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.721 16.346 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.907 14.594 -2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.800 16.366 -2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.289 15.606 -1.537 1.00 0.00 H new ATOM 685 N GLU A 49 9.130 17.860 2.226 1.00 0.00 N ATOM 686 CA GLU A 49 9.622 18.809 3.214 1.00 0.00 C ATOM 687 C GLU A 49 9.663 20.204 2.599 1.00 0.00 C ATOM 688 O GLU A 49 9.620 21.212 3.303 1.00 0.00 O ATOM 689 CB GLU A 49 11.023 18.403 3.685 1.00 0.00 C ATOM 690 CG GLU A 49 12.027 18.586 2.544 1.00 0.00 C ATOM 691 CD GLU A 49 13.343 17.899 2.892 1.00 0.00 C ATOM 692 OE1 GLU A 49 13.297 16.893 3.581 1.00 0.00 O ATOM 693 OE2 GLU A 49 14.375 18.389 2.465 1.00 0.00 O ATOM 0 H GLU A 49 9.707 17.028 2.104 1.00 0.00 H new ATOM 0 HA GLU A 49 8.953 18.811 4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.318 19.008 4.542 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.019 17.364 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.622 18.169 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.198 19.648 2.365 1.00 0.00 H new ATOM 700 N ASP A 50 9.747 20.242 1.270 1.00 0.00 N ATOM 701 CA ASP A 50 9.795 21.505 0.545 1.00 0.00 C ATOM 702 C ASP A 50 9.394 21.298 -0.915 1.00 0.00 C ATOM 703 O ASP A 50 10.066 21.783 -1.825 1.00 0.00 O ATOM 704 CB ASP A 50 11.208 22.089 0.608 1.00 0.00 C ATOM 705 CG ASP A 50 11.226 23.477 -0.024 1.00 0.00 C ATOM 706 OD1 ASP A 50 10.157 24.015 -0.254 1.00 0.00 O ATOM 707 OD2 ASP A 50 12.310 23.980 -0.268 1.00 0.00 O ATOM 0 H ASP A 50 9.783 19.413 0.677 1.00 0.00 H new ATOM 0 HA ASP A 50 9.094 22.198 1.010 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.540 22.148 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.905 21.433 0.086 1.00 0.00 H new ATOM 712 N LYS A 51 8.293 20.573 -1.135 1.00 0.00 N ATOM 713 CA LYS A 51 7.808 20.307 -2.492 1.00 0.00 C ATOM 714 C LYS A 51 6.286 20.351 -2.520 1.00 0.00 C ATOM 715 O LYS A 51 5.648 19.466 -3.081 1.00 0.00 O ATOM 716 CB LYS A 51 8.275 18.926 -2.993 1.00 0.00 C ATOM 717 CG LYS A 51 9.707 18.634 -2.537 1.00 0.00 C ATOM 718 CD LYS A 51 10.055 17.176 -2.855 1.00 0.00 C ATOM 719 CE LYS A 51 9.956 16.920 -4.363 1.00 0.00 C ATOM 720 NZ LYS A 51 10.758 15.712 -4.709 1.00 0.00 N ATOM 0 H LYS A 51 7.724 20.162 -0.395 1.00 0.00 H new ATOM 0 HA LYS A 51 8.218 21.076 -3.146 1.00 0.00 H new ATOM 0 HB2 LYS A 51 7.605 18.153 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.222 18.893 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 51 10.404 19.304 -3.040 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.804 18.818 -1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.063 16.952 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.378 16.509 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.915 16.775 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.323 17.785 -4.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.259 15.873 -5.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.450 15.527 -3.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.126 14.892 -4.808 1.00 0.00 H new ATOM 734 N SER A 52 5.711 21.375 -1.906 1.00 0.00 N ATOM 735 CA SER A 52 4.261 21.510 -1.869 1.00 0.00 C ATOM 736 C SER A 52 3.680 21.328 -3.277 1.00 0.00 C ATOM 737 O SER A 52 4.424 21.090 -4.227 1.00 0.00 O ATOM 738 CB SER A 52 3.888 22.885 -1.288 1.00 0.00 C ATOM 739 OG SER A 52 2.862 22.724 -0.318 1.00 0.00 O ATOM 0 H SER A 52 6.221 22.119 -1.430 1.00 0.00 H new ATOM 0 HA SER A 52 3.837 20.737 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.763 23.350 -0.834 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.551 23.549 -2.084 1.00 0.00 H new ATOM 0 HG SER A 52 2.624 23.599 0.055 1.00 0.00 H new ATOM 745 N PRO A 53 2.379 21.430 -3.432 1.00 0.00 N ATOM 746 CA PRO A 53 1.713 21.269 -4.764 1.00 0.00 C ATOM 747 C PRO A 53 2.187 22.309 -5.791 1.00 0.00 C ATOM 748 O PRO A 53 1.391 22.823 -6.576 1.00 0.00 O ATOM 749 CB PRO A 53 0.209 21.439 -4.456 1.00 0.00 C ATOM 750 CG PRO A 53 0.079 21.231 -2.979 1.00 0.00 C ATOM 751 CD PRO A 53 1.398 21.698 -2.366 1.00 0.00 C ATOM 0 HA PRO A 53 1.950 20.306 -5.216 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -0.142 22.430 -4.745 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -0.389 20.715 -5.009 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.760 21.800 -2.578 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.108 20.182 -2.748 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.368 22.755 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.635 21.150 -1.454 1.00 0.00 H new ATOM 759 N ASP A 54 3.480 22.621 -5.765 1.00 0.00 N ATOM 760 CA ASP A 54 4.058 23.611 -6.678 1.00 0.00 C ATOM 761 C ASP A 54 4.858 22.915 -7.771 1.00 0.00 C ATOM 762 O ASP A 54 4.486 22.931 -8.945 1.00 0.00 O ATOM 763 CB ASP A 54 4.984 24.550 -5.896 1.00 0.00 C ATOM 764 CG ASP A 54 5.873 23.747 -4.952 1.00 0.00 C ATOM 765 OD1 ASP A 54 5.360 23.250 -3.965 1.00 0.00 O ATOM 766 OD2 ASP A 54 7.057 23.647 -5.229 1.00 0.00 O ATOM 0 H ASP A 54 4.151 22.203 -5.121 1.00 0.00 H new ATOM 0 HA ASP A 54 3.250 24.183 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.601 25.124 -6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.391 25.267 -5.328 1.00 0.00 H new ATOM 771 N SER A 55 5.950 22.286 -7.359 1.00 0.00 N ATOM 772 CA SER A 55 6.809 21.554 -8.275 1.00 0.00 C ATOM 773 C SER A 55 6.014 20.363 -8.816 1.00 0.00 C ATOM 774 O SER A 55 4.866 20.185 -8.411 1.00 0.00 O ATOM 775 CB SER A 55 8.054 21.106 -7.481 1.00 0.00 C ATOM 776 OG SER A 55 8.025 21.723 -6.202 1.00 0.00 O ATOM 0 H SER A 55 6.262 22.269 -6.388 1.00 0.00 H new ATOM 0 HA SER A 55 7.134 22.158 -9.122 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.065 20.021 -7.377 1.00 0.00 H new ATOM 0 HB3 SER A 55 8.963 21.385 -8.014 1.00 0.00 H new ATOM 0 HG SER A 55 8.044 22.697 -6.308 1.00 0.00 H new ATOM 782 N PRO A 56 6.555 19.535 -9.693 1.00 0.00 N ATOM 783 CA PRO A 56 5.796 18.353 -10.201 1.00 0.00 C ATOM 784 C PRO A 56 5.503 17.374 -9.058 1.00 0.00 C ATOM 785 O PRO A 56 5.591 16.159 -9.219 1.00 0.00 O ATOM 786 CB PRO A 56 6.714 17.738 -11.274 1.00 0.00 C ATOM 787 CG PRO A 56 8.086 18.250 -10.964 1.00 0.00 C ATOM 788 CD PRO A 56 7.900 19.620 -10.304 1.00 0.00 C ATOM 0 HA PRO A 56 4.823 18.616 -10.616 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.684 16.649 -11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.401 18.034 -12.275 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.614 17.567 -10.298 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.683 18.335 -11.872 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.669 19.811 -9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 56 7.958 20.427 -11.034 1.00 0.00 H new ATOM 796 N GLU A 57 5.148 17.933 -7.901 1.00 0.00 N ATOM 797 CA GLU A 57 4.829 17.137 -6.731 1.00 0.00 C ATOM 798 C GLU A 57 3.560 16.347 -6.996 1.00 0.00 C ATOM 799 O GLU A 57 3.583 15.125 -7.064 1.00 0.00 O ATOM 800 CB GLU A 57 4.634 18.057 -5.513 1.00 0.00 C ATOM 801 CG GLU A 57 3.931 17.298 -4.373 1.00 0.00 C ATOM 802 CD GLU A 57 4.578 15.931 -4.161 1.00 0.00 C ATOM 803 OE1 GLU A 57 5.790 15.844 -4.285 1.00 0.00 O ATOM 804 OE2 GLU A 57 3.852 14.992 -3.880 1.00 0.00 O ATOM 0 H GLU A 57 5.076 18.940 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 57 5.647 16.447 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.600 18.427 -5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.043 18.927 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.986 17.880 -3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.874 17.174 -4.609 1.00 0.00 H new ATOM 811 N MET A 58 2.454 17.064 -7.158 1.00 0.00 N ATOM 812 CA MET A 58 1.169 16.428 -7.434 1.00 0.00 C ATOM 813 C MET A 58 1.357 15.299 -8.446 1.00 0.00 C ATOM 814 O MET A 58 0.812 14.210 -8.296 1.00 0.00 O ATOM 815 CB MET A 58 0.185 17.461 -7.984 1.00 0.00 C ATOM 816 CG MET A 58 0.132 18.682 -7.055 1.00 0.00 C ATOM 817 SD MET A 58 -0.996 19.918 -7.748 1.00 0.00 S ATOM 818 CE MET A 58 -2.513 18.936 -7.648 1.00 0.00 C ATOM 0 H MET A 58 2.420 18.082 -7.104 1.00 0.00 H new ATOM 0 HA MET A 58 0.769 16.014 -6.508 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.489 17.768 -8.985 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.807 17.019 -8.074 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.204 18.383 -6.062 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.129 19.108 -6.939 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.372 19.601 -7.560 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.614 18.330 -8.548 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.468 18.284 -6.775 1.00 0.00 H new ATOM 828 N LYS A 59 2.161 15.560 -9.467 1.00 0.00 N ATOM 829 CA LYS A 59 2.427 14.546 -10.478 1.00 0.00 C ATOM 830 C LYS A 59 3.005 13.303 -9.809 1.00 0.00 C ATOM 831 O LYS A 59 2.657 12.174 -10.157 1.00 0.00 O ATOM 832 CB LYS A 59 3.415 15.085 -11.521 1.00 0.00 C ATOM 833 CG LYS A 59 2.781 16.250 -12.312 1.00 0.00 C ATOM 834 CD LYS A 59 1.992 15.705 -13.509 1.00 0.00 C ATOM 835 CE LYS A 59 1.374 16.870 -14.287 1.00 0.00 C ATOM 836 NZ LYS A 59 2.424 17.526 -15.114 1.00 0.00 N ATOM 0 H LYS A 59 2.634 16.451 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 59 1.495 14.288 -10.981 1.00 0.00 H new ATOM 0 HB2 LYS A 59 4.325 15.425 -11.027 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.703 14.287 -12.205 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.121 16.824 -11.662 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.559 16.931 -12.658 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.650 15.128 -14.159 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.210 15.028 -13.165 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.567 16.508 -14.924 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.936 17.591 -13.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.346 18.559 -15.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.363 17.219 -14.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.297 17.259 -16.111 1.00 0.00 H new ATOM 850 N ASP A 60 3.884 13.529 -8.837 1.00 0.00 N ATOM 851 CA ASP A 60 4.511 12.438 -8.102 1.00 0.00 C ATOM 852 C ASP A 60 3.550 11.860 -7.067 1.00 0.00 C ATOM 853 O ASP A 60 3.413 10.645 -6.954 1.00 0.00 O ATOM 854 CB ASP A 60 5.779 12.940 -7.419 1.00 0.00 C ATOM 855 CG ASP A 60 6.499 11.785 -6.731 1.00 0.00 C ATOM 856 OD1 ASP A 60 5.863 10.773 -6.489 1.00 0.00 O ATOM 857 OD2 ASP A 60 7.679 11.930 -6.456 1.00 0.00 O ATOM 0 H ASP A 60 4.178 14.460 -8.541 1.00 0.00 H new ATOM 0 HA ASP A 60 4.770 11.647 -8.806 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.438 13.403 -8.154 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.527 13.708 -6.688 1.00 0.00 H new ATOM 862 N PHE A 61 2.867 12.728 -6.321 1.00 0.00 N ATOM 863 CA PHE A 61 1.910 12.251 -5.330 1.00 0.00 C ATOM 864 C PHE A 61 0.771 11.562 -6.067 1.00 0.00 C ATOM 865 O PHE A 61 0.618 10.346 -5.995 1.00 0.00 O ATOM 866 CB PHE A 61 1.367 13.419 -4.456 1.00 0.00 C ATOM 867 CG PHE A 61 -0.058 13.127 -3.988 1.00 0.00 C ATOM 868 CD1 PHE A 61 -0.416 11.836 -3.582 1.00 0.00 C ATOM 869 CD2 PHE A 61 -1.025 14.140 -4.009 1.00 0.00 C ATOM 870 CE1 PHE A 61 -1.731 11.560 -3.197 1.00 0.00 C ATOM 871 CE2 PHE A 61 -2.342 13.864 -3.629 1.00 0.00 C ATOM 872 CZ PHE A 61 -2.697 12.575 -3.225 1.00 0.00 C ATOM 0 H PHE A 61 2.956 13.742 -6.383 1.00 0.00 H new ATOM 0 HA PHE A 61 2.404 11.552 -4.655 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.016 13.565 -3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.384 14.346 -5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.326 11.051 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.752 15.138 -4.320 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.003 10.565 -2.878 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.085 14.648 -3.648 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.715 12.361 -2.934 1.00 0.00 H new ATOM 882 N ARG A 62 -0.038 12.365 -6.755 1.00 0.00 N ATOM 883 CA ARG A 62 -1.187 11.846 -7.493 1.00 0.00 C ATOM 884 C ARG A 62 -0.854 10.492 -8.111 1.00 0.00 C ATOM 885 O ARG A 62 -1.612 9.540 -7.987 1.00 0.00 O ATOM 886 CB ARG A 62 -1.614 12.837 -8.586 1.00 0.00 C ATOM 887 CG ARG A 62 -1.844 14.242 -7.989 1.00 0.00 C ATOM 888 CD ARG A 62 -3.263 14.370 -7.439 1.00 0.00 C ATOM 889 NE ARG A 62 -4.214 14.567 -8.527 1.00 0.00 N ATOM 890 CZ ARG A 62 -5.522 14.440 -8.328 1.00 0.00 C ATOM 891 NH1 ARG A 62 -5.978 14.143 -7.142 1.00 0.00 N ATOM 892 NH2 ARG A 62 -6.351 14.616 -9.321 1.00 0.00 N ATOM 0 H ARG A 62 0.081 13.376 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.015 11.718 -6.796 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.847 12.886 -9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.528 12.486 -9.065 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.122 14.427 -7.193 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.676 15.000 -8.754 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.524 13.473 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -3.316 15.208 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.869 14.806 -9.457 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -5.330 14.008 -6.366 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -6.982 14.046 -6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -5.995 14.850 -10.247 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.355 14.519 -9.170 1.00 0.00 H new ATOM 906 N HIS A 63 0.295 10.388 -8.759 1.00 0.00 N ATOM 907 CA HIS A 63 0.680 9.116 -9.351 1.00 0.00 C ATOM 908 C HIS A 63 1.254 8.191 -8.291 1.00 0.00 C ATOM 909 O HIS A 63 0.698 7.138 -8.014 1.00 0.00 O ATOM 910 CB HIS A 63 1.718 9.333 -10.449 1.00 0.00 C ATOM 911 CG HIS A 63 1.794 8.117 -11.333 1.00 0.00 C ATOM 912 ND1 HIS A 63 2.990 7.469 -11.598 1.00 0.00 N ATOM 913 CD2 HIS A 63 0.830 7.423 -12.022 1.00 0.00 C ATOM 914 CE1 HIS A 63 2.718 6.433 -12.413 1.00 0.00 C ATOM 915 NE2 HIS A 63 1.416 6.360 -12.703 1.00 0.00 N ATOM 0 H HIS A 63 0.963 11.148 -8.887 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.210 8.659 -9.783 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.454 10.208 -11.043 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.693 9.531 -10.005 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.222 7.665 -12.034 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.462 5.745 -12.787 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.951 5.673 -13.296 1.00 0.00 H new ATOM 924 N GLY A 64 2.376 8.593 -7.715 1.00 0.00 N ATOM 925 CA GLY A 64 3.041 7.795 -6.689 1.00 0.00 C ATOM 926 C GLY A 64 2.047 7.080 -5.777 1.00 0.00 C ATOM 927 O GLY A 64 2.294 5.947 -5.363 1.00 0.00 O ATOM 0 H GLY A 64 2.849 9.469 -7.939 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.687 7.059 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.682 8.440 -6.089 1.00 0.00 H new ATOM 931 N PHE A 65 0.918 7.725 -5.460 1.00 0.00 N ATOM 932 CA PHE A 65 -0.069 7.079 -4.591 1.00 0.00 C ATOM 933 C PHE A 65 -0.867 6.080 -5.423 1.00 0.00 C ATOM 934 O PHE A 65 -1.195 4.998 -4.952 1.00 0.00 O ATOM 935 CB PHE A 65 -0.979 8.135 -3.876 1.00 0.00 C ATOM 936 CG PHE A 65 -2.457 7.892 -4.147 1.00 0.00 C ATOM 937 CD1 PHE A 65 -2.989 8.160 -5.411 1.00 0.00 C ATOM 938 CD2 PHE A 65 -3.288 7.400 -3.134 1.00 0.00 C ATOM 939 CE1 PHE A 65 -4.335 7.940 -5.669 1.00 0.00 C ATOM 940 CE2 PHE A 65 -4.644 7.178 -3.395 1.00 0.00 C ATOM 941 CZ PHE A 65 -5.164 7.451 -4.666 1.00 0.00 C ATOM 0 H PHE A 65 0.671 8.662 -5.780 1.00 0.00 H new ATOM 0 HA PHE A 65 0.436 6.539 -3.790 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.797 8.102 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.708 9.135 -4.214 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.348 8.541 -6.193 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.884 7.193 -2.154 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.738 8.149 -6.649 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.289 6.797 -2.617 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.211 7.281 -4.868 1.00 0.00 H new ATOM 951 N ASP A 66 -1.126 6.439 -6.675 1.00 0.00 N ATOM 952 CA ASP A 66 -1.844 5.558 -7.585 1.00 0.00 C ATOM 953 C ASP A 66 -0.989 4.332 -7.866 1.00 0.00 C ATOM 954 O ASP A 66 -1.495 3.217 -8.000 1.00 0.00 O ATOM 955 CB ASP A 66 -2.136 6.296 -8.897 1.00 0.00 C ATOM 956 CG ASP A 66 -2.822 5.356 -9.882 1.00 0.00 C ATOM 957 OD1 ASP A 66 -2.120 4.636 -10.571 1.00 0.00 O ATOM 958 OD2 ASP A 66 -4.042 5.371 -9.932 1.00 0.00 O ATOM 0 H ASP A 66 -0.850 7.333 -7.082 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.787 5.252 -7.132 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.771 7.161 -8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.208 6.672 -9.327 1.00 0.00 H new ATOM 963 N ILE A 67 0.319 4.555 -7.936 1.00 0.00 N ATOM 964 CA ILE A 67 1.265 3.480 -8.177 1.00 0.00 C ATOM 965 C ILE A 67 1.172 2.461 -7.059 1.00 0.00 C ATOM 966 O ILE A 67 0.782 1.316 -7.273 1.00 0.00 O ATOM 967 CB ILE A 67 2.684 4.049 -8.235 1.00 0.00 C ATOM 968 CG1 ILE A 67 2.789 4.998 -9.435 1.00 0.00 C ATOM 969 CG2 ILE A 67 3.694 2.905 -8.386 1.00 0.00 C ATOM 970 CD1 ILE A 67 4.152 5.715 -9.459 1.00 0.00 C ATOM 0 H ILE A 67 0.746 5.475 -7.828 1.00 0.00 H new ATOM 0 HA ILE A 67 1.030 2.998 -9.126 1.00 0.00 H new ATOM 0 HB ILE A 67 2.902 4.593 -7.316 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.654 4.436 -10.359 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.988 5.736 -9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.704 3.314 -8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.610 2.231 -7.534 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.487 2.356 -9.305 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.198 6.381 -10.321 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.274 6.296 -8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.951 4.976 -9.529 1.00 0.00 H new ATOM 982 N LEU A 68 1.521 2.897 -5.859 1.00 0.00 N ATOM 983 CA LEU A 68 1.467 2.022 -4.698 1.00 0.00 C ATOM 984 C LEU A 68 0.068 1.417 -4.582 1.00 0.00 C ATOM 985 O LEU A 68 -0.084 0.203 -4.450 1.00 0.00 O ATOM 986 CB LEU A 68 1.824 2.817 -3.425 1.00 0.00 C ATOM 987 CG LEU A 68 3.334 2.685 -3.115 1.00 0.00 C ATOM 988 CD1 LEU A 68 4.147 3.466 -4.147 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.641 3.231 -1.721 1.00 0.00 C ATOM 0 H LEU A 68 1.843 3.845 -5.664 1.00 0.00 H new ATOM 0 HA LEU A 68 2.191 1.215 -4.813 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.564 3.867 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.239 2.449 -2.582 1.00 0.00 H new ATOM 0 HG LEU A 68 3.603 1.630 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.209 3.369 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.949 3.069 -5.143 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.864 4.518 -4.113 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.707 3.131 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.359 4.283 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.076 2.669 -0.978 1.00 0.00 H new ATOM 1001 N VAL A 69 -0.949 2.273 -4.636 1.00 0.00 N ATOM 1002 CA VAL A 69 -2.323 1.825 -4.539 1.00 0.00 C ATOM 1003 C VAL A 69 -2.680 0.942 -5.732 1.00 0.00 C ATOM 1004 O VAL A 69 -3.610 0.137 -5.665 1.00 0.00 O ATOM 1005 CB VAL A 69 -3.233 3.050 -4.492 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -4.683 2.614 -4.546 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -2.980 3.821 -3.192 1.00 0.00 C ATOM 0 H VAL A 69 -0.841 3.281 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.455 1.234 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.019 3.692 -5.347 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.328 3.492 -4.512 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -4.864 2.066 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.901 1.970 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.629 4.696 -3.156 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.193 3.176 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.938 4.140 -3.155 1.00 0.00 H new ATOM 1017 N GLY A 70 -1.931 1.094 -6.821 1.00 0.00 N ATOM 1018 CA GLY A 70 -2.172 0.302 -8.021 1.00 0.00 C ATOM 1019 C GLY A 70 -1.526 -1.074 -7.897 1.00 0.00 C ATOM 1020 O GLY A 70 -2.084 -2.078 -8.345 1.00 0.00 O ATOM 0 H GLY A 70 -1.157 1.754 -6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.245 0.193 -8.181 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.771 0.821 -8.892 1.00 0.00 H new ATOM 1024 N GLN A 71 -0.354 -1.115 -7.273 1.00 0.00 N ATOM 1025 CA GLN A 71 0.355 -2.373 -7.080 1.00 0.00 C ATOM 1026 C GLN A 71 -0.259 -3.118 -5.906 1.00 0.00 C ATOM 1027 O GLN A 71 -0.571 -4.306 -5.999 1.00 0.00 O ATOM 1028 CB GLN A 71 1.839 -2.102 -6.824 1.00 0.00 C ATOM 1029 CG GLN A 71 2.423 -1.344 -8.017 1.00 0.00 C ATOM 1030 CD GLN A 71 3.793 -0.778 -7.670 1.00 0.00 C ATOM 1031 OE1 GLN A 71 4.689 -0.765 -8.514 1.00 0.00 O ATOM 1032 NE2 GLN A 71 4.015 -0.306 -6.477 1.00 0.00 N ATOM 0 H GLN A 71 0.122 -0.296 -6.894 1.00 0.00 H new ATOM 0 HA GLN A 71 0.267 -2.985 -7.978 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.963 -1.519 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.373 -3.041 -6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.505 -2.012 -8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.751 -0.535 -8.306 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.272 -0.317 -5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.932 0.075 -6.242 1.00 0.00 H new ATOM 1041 N ILE A 72 -0.462 -2.391 -4.811 1.00 0.00 N ATOM 1042 CA ILE A 72 -1.081 -2.959 -3.611 1.00 0.00 C ATOM 1043 C ILE A 72 -2.238 -3.880 -4.025 1.00 0.00 C ATOM 1044 O ILE A 72 -2.297 -5.046 -3.628 1.00 0.00 O ATOM 1045 CB ILE A 72 -1.576 -1.790 -2.716 1.00 0.00 C ATOM 1046 CG1 ILE A 72 -0.465 -1.362 -1.733 1.00 0.00 C ATOM 1047 CG2 ILE A 72 -2.829 -2.180 -1.914 1.00 0.00 C ATOM 1048 CD1 ILE A 72 -0.674 0.097 -1.321 1.00 0.00 C ATOM 0 H ILE A 72 -0.208 -1.407 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.365 -3.555 -3.046 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.830 -0.962 -3.377 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.478 -2.004 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.513 -1.482 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.145 -1.337 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.631 -2.450 -2.601 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.600 -3.030 -1.272 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.112 0.395 -0.627 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.638 0.733 -2.205 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.645 0.203 -0.837 1.00 0.00 H new ATOM 1060 N ASP A 73 -3.139 -3.347 -4.844 1.00 0.00 N ATOM 1061 CA ASP A 73 -4.270 -4.131 -5.325 1.00 0.00 C ATOM 1062 C ASP A 73 -3.762 -5.309 -6.149 1.00 0.00 C ATOM 1063 O ASP A 73 -4.117 -6.459 -5.892 1.00 0.00 O ATOM 1064 CB ASP A 73 -5.190 -3.257 -6.181 1.00 0.00 C ATOM 1065 CG ASP A 73 -6.433 -4.045 -6.579 1.00 0.00 C ATOM 1066 OD1 ASP A 73 -6.812 -4.933 -5.834 1.00 0.00 O ATOM 1067 OD2 ASP A 73 -6.989 -3.747 -7.625 1.00 0.00 O ATOM 0 H ASP A 73 -3.109 -2.386 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.834 -4.504 -4.470 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.477 -2.364 -5.626 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -4.661 -2.921 -7.073 1.00 0.00 H new ATOM 1072 N ASP A 74 -2.916 -5.011 -7.131 1.00 0.00 N ATOM 1073 CA ASP A 74 -2.348 -6.049 -7.978 1.00 0.00 C ATOM 1074 C ASP A 74 -1.767 -7.162 -7.116 1.00 0.00 C ATOM 1075 O ASP A 74 -1.753 -8.328 -7.508 1.00 0.00 O ATOM 1076 CB ASP A 74 -1.240 -5.459 -8.854 1.00 0.00 C ATOM 1077 CG ASP A 74 -0.914 -6.415 -9.997 1.00 0.00 C ATOM 1078 OD1 ASP A 74 -0.054 -7.260 -9.809 1.00 0.00 O ATOM 1079 OD2 ASP A 74 -1.528 -6.289 -11.044 1.00 0.00 O ATOM 0 H ASP A 74 -2.611 -4.064 -7.357 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.136 -6.455 -8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.555 -4.495 -9.254 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.348 -5.279 -8.254 1.00 0.00 H new ATOM 1084 N ALA A 75 -1.285 -6.785 -5.933 1.00 0.00 N ATOM 1085 CA ALA A 75 -0.701 -7.755 -5.021 1.00 0.00 C ATOM 1086 C ALA A 75 -1.749 -8.782 -4.609 1.00 0.00 C ATOM 1087 O ALA A 75 -1.611 -9.968 -4.908 1.00 0.00 O ATOM 1088 CB ALA A 75 -0.132 -7.049 -3.786 1.00 0.00 C ATOM 0 H ALA A 75 -1.289 -5.824 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 75 0.113 -8.270 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.302 -7.788 -3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.638 -6.342 -4.094 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.931 -6.514 -3.272 1.00 0.00 H new ATOM 1094 N LEU A 76 -2.809 -8.327 -3.938 1.00 0.00 N ATOM 1095 CA LEU A 76 -3.864 -9.253 -3.533 1.00 0.00 C ATOM 1096 C LEU A 76 -4.359 -9.998 -4.755 1.00 0.00 C ATOM 1097 O LEU A 76 -4.333 -11.215 -4.793 1.00 0.00 O ATOM 1098 CB LEU A 76 -5.040 -8.514 -2.885 1.00 0.00 C ATOM 1099 CG LEU A 76 -6.069 -9.529 -2.324 1.00 0.00 C ATOM 1100 CD1 LEU A 76 -5.658 -9.970 -0.914 1.00 0.00 C ATOM 1101 CD2 LEU A 76 -7.451 -8.867 -2.253 1.00 0.00 C ATOM 0 H LEU A 76 -2.957 -7.354 -3.671 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.451 -9.945 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.677 -7.872 -2.082 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.520 -7.866 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.103 -10.398 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.387 -10.683 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.675 -10.440 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.619 -9.101 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.176 -9.579 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.404 -7.997 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.756 -8.554 -3.251 1.00 0.00 H new ATOM 1113 N LYS A 77 -4.787 -9.244 -5.760 1.00 0.00 N ATOM 1114 CA LYS A 77 -5.271 -9.821 -7.010 1.00 0.00 C ATOM 1115 C LYS A 77 -4.355 -10.959 -7.430 1.00 0.00 C ATOM 1116 O LYS A 77 -4.794 -12.094 -7.604 1.00 0.00 O ATOM 1117 CB LYS A 77 -5.298 -8.702 -8.061 1.00 0.00 C ATOM 1118 CG LYS A 77 -6.036 -9.147 -9.336 1.00 0.00 C ATOM 1119 CD LYS A 77 -5.108 -10.003 -10.252 1.00 0.00 C ATOM 1120 CE LYS A 77 -5.641 -11.442 -10.384 1.00 0.00 C ATOM 1121 NZ LYS A 77 -6.665 -11.492 -11.468 1.00 0.00 N ATOM 0 H LYS A 77 -4.809 -8.225 -5.734 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.274 -10.232 -6.896 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.787 -7.821 -7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.278 -8.412 -8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.919 -9.726 -9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.384 -8.271 -9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.041 -9.544 -11.238 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -4.099 -10.021 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.823 -12.126 -10.609 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.078 -11.768 -9.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.027 -12.463 -11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.450 -10.851 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.233 -11.197 -12.367 1.00 0.00 H new ATOM 1135 N LEU A 78 -3.073 -10.663 -7.551 1.00 0.00 N ATOM 1136 CA LEU A 78 -2.116 -11.693 -7.919 1.00 0.00 C ATOM 1137 C LEU A 78 -2.155 -12.820 -6.886 1.00 0.00 C ATOM 1138 O LEU A 78 -1.965 -13.991 -7.214 1.00 0.00 O ATOM 1139 CB LEU A 78 -0.716 -11.098 -8.014 1.00 0.00 C ATOM 1140 CG LEU A 78 0.318 -12.177 -8.382 1.00 0.00 C ATOM 1141 CD1 LEU A 78 -0.144 -13.011 -9.589 1.00 0.00 C ATOM 1142 CD2 LEU A 78 1.621 -11.479 -8.745 1.00 0.00 C ATOM 0 H LEU A 78 -2.675 -9.736 -7.403 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.380 -12.101 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.703 -10.307 -8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.446 -10.640 -7.062 1.00 0.00 H new ATOM 0 HG LEU A 78 0.444 -12.847 -7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.610 -13.763 -9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.087 -13.504 -9.351 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.283 -12.358 -10.451 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.371 -12.224 -9.010 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.454 -10.815 -9.593 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.972 -10.898 -7.892 1.00 0.00 H new ATOM 1154 N ALA A 79 -2.436 -12.451 -5.636 1.00 0.00 N ATOM 1155 CA ALA A 79 -2.538 -13.428 -4.551 1.00 0.00 C ATOM 1156 C ALA A 79 -3.929 -14.051 -4.561 1.00 0.00 C ATOM 1157 O ALA A 79 -4.173 -15.078 -3.926 1.00 0.00 O ATOM 1158 CB ALA A 79 -2.280 -12.742 -3.201 1.00 0.00 C ATOM 0 H ALA A 79 -2.597 -11.485 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.791 -14.209 -4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.358 -13.476 -2.399 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.281 -12.307 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.018 -11.955 -3.046 1.00 0.00 H new ATOM 1164 N ASN A 80 -4.831 -13.419 -5.305 1.00 0.00 N ATOM 1165 CA ASN A 80 -6.194 -13.900 -5.427 1.00 0.00 C ATOM 1166 C ASN A 80 -6.216 -14.996 -6.479 1.00 0.00 C ATOM 1167 O ASN A 80 -6.945 -15.982 -6.372 1.00 0.00 O ATOM 1168 CB ASN A 80 -7.119 -12.750 -5.846 1.00 0.00 C ATOM 1169 CG ASN A 80 -8.571 -13.102 -5.537 1.00 0.00 C ATOM 1170 OD1 ASN A 80 -8.989 -14.244 -5.728 1.00 0.00 O ATOM 1171 ND2 ASN A 80 -9.370 -12.183 -5.067 1.00 0.00 N ATOM 0 H ASN A 80 -4.637 -12.568 -5.833 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.543 -14.290 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.838 -11.838 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.004 -12.551 -6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -10.342 -12.411 -4.858 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -9.022 -11.237 -4.909 1.00 0.00 H new ATOM 1178 N GLU A 81 -5.381 -14.795 -7.500 1.00 0.00 N ATOM 1179 CA GLU A 81 -5.243 -15.734 -8.608 1.00 0.00 C ATOM 1180 C GLU A 81 -3.763 -16.022 -8.845 1.00 0.00 C ATOM 1181 O GLU A 81 -3.261 -15.869 -9.958 1.00 0.00 O ATOM 1182 CB GLU A 81 -5.839 -15.124 -9.878 1.00 0.00 C ATOM 1183 CG GLU A 81 -6.092 -16.221 -10.916 1.00 0.00 C ATOM 1184 CD GLU A 81 -6.553 -15.596 -12.228 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -7.661 -15.088 -12.260 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -5.791 -15.632 -13.179 1.00 0.00 O ATOM 0 H GLU A 81 -4.781 -13.974 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.768 -16.657 -8.364 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.772 -14.612 -9.642 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.159 -14.376 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.181 -16.798 -11.078 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.848 -16.915 -10.548 1.00 0.00 H new ATOM 1193 N GLY A 82 -3.066 -16.408 -7.786 1.00 0.00 N ATOM 1194 CA GLY A 82 -1.643 -16.677 -7.882 1.00 0.00 C ATOM 1195 C GLY A 82 -1.041 -16.740 -6.484 1.00 0.00 C ATOM 1196 O GLY A 82 -0.594 -15.731 -5.950 1.00 0.00 O ATOM 0 H GLY A 82 -3.462 -16.541 -6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.475 -17.619 -8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.153 -15.897 -8.465 1.00 0.00 H new ATOM 1200 N LYS A 83 -1.067 -17.942 -5.914 1.00 0.00 N ATOM 1201 CA LYS A 83 -0.559 -18.217 -4.558 1.00 0.00 C ATOM 1202 C LYS A 83 0.374 -17.119 -4.023 1.00 0.00 C ATOM 1203 O LYS A 83 1.200 -16.547 -4.743 1.00 0.00 O ATOM 1204 CB LYS A 83 0.150 -19.599 -4.536 1.00 0.00 C ATOM 1205 CG LYS A 83 -0.104 -20.368 -3.212 1.00 0.00 C ATOM 1206 CD LYS A 83 0.971 -20.024 -2.176 1.00 0.00 C ATOM 1207 CE LYS A 83 0.557 -20.570 -0.808 1.00 0.00 C ATOM 1208 NZ LYS A 83 0.361 -22.045 -0.900 1.00 0.00 N ATOM 0 H LYS A 83 -1.444 -18.767 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.420 -18.231 -3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.201 -20.199 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.222 -19.457 -4.672 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.089 -20.114 -2.820 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.104 -21.441 -3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.928 -20.451 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.106 -18.944 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.322 -20.340 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.364 -20.090 -0.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.315 -22.449 0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.526 -22.247 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.157 -22.469 -1.417 1.00 0.00 H new ATOM 1222 N VAL A 84 0.208 -16.845 -2.732 1.00 0.00 N ATOM 1223 CA VAL A 84 0.989 -15.826 -2.039 1.00 0.00 C ATOM 1224 C VAL A 84 2.447 -15.851 -2.487 1.00 0.00 C ATOM 1225 O VAL A 84 3.066 -14.803 -2.675 1.00 0.00 O ATOM 1226 CB VAL A 84 0.915 -16.038 -0.517 1.00 0.00 C ATOM 1227 CG1 VAL A 84 1.820 -15.014 0.202 1.00 0.00 C ATOM 1228 CG2 VAL A 84 -0.536 -15.861 -0.032 1.00 0.00 C ATOM 0 H VAL A 84 -0.470 -17.322 -2.138 1.00 0.00 H new ATOM 0 HA VAL A 84 0.565 -14.854 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 84 1.255 -17.048 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.762 -15.171 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.850 -15.144 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.487 -14.004 -0.036 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.580 -16.013 1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.879 -14.855 -0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.177 -16.590 -0.527 1.00 0.00 H new ATOM 1238 N LYS A 85 2.990 -17.051 -2.654 1.00 0.00 N ATOM 1239 CA LYS A 85 4.379 -17.199 -3.081 1.00 0.00 C ATOM 1240 C LYS A 85 4.672 -16.275 -4.257 1.00 0.00 C ATOM 1241 O LYS A 85 5.777 -15.744 -4.390 1.00 0.00 O ATOM 1242 CB LYS A 85 4.651 -18.652 -3.485 1.00 0.00 C ATOM 1243 CG LYS A 85 4.751 -19.525 -2.231 1.00 0.00 C ATOM 1244 CD LYS A 85 4.946 -20.987 -2.640 1.00 0.00 C ATOM 1245 CE LYS A 85 5.213 -21.835 -1.394 1.00 0.00 C ATOM 1246 NZ LYS A 85 5.580 -23.220 -1.805 1.00 0.00 N ATOM 0 H LYS A 85 2.496 -17.930 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 85 5.030 -16.930 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.852 -19.016 -4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.576 -18.713 -4.058 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.585 -19.195 -1.611 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.847 -19.422 -1.630 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.059 -21.352 -3.158 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.780 -21.073 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.018 -21.393 -0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.328 -21.855 -0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.762 -23.797 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.799 -23.639 -2.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.436 -23.192 -2.395 1.00 0.00 H new ATOM 1260 N GLU A 86 3.666 -16.077 -5.100 1.00 0.00 N ATOM 1261 CA GLU A 86 3.807 -15.205 -6.261 1.00 0.00 C ATOM 1262 C GLU A 86 3.579 -13.763 -5.843 1.00 0.00 C ATOM 1263 O GLU A 86 4.098 -12.834 -6.456 1.00 0.00 O ATOM 1264 CB GLU A 86 2.788 -15.584 -7.339 1.00 0.00 C ATOM 1265 CG GLU A 86 2.895 -17.075 -7.655 1.00 0.00 C ATOM 1266 CD GLU A 86 2.084 -17.404 -8.904 1.00 0.00 C ATOM 1267 OE1 GLU A 86 2.285 -16.741 -9.909 1.00 0.00 O ATOM 1268 OE2 GLU A 86 1.273 -18.313 -8.837 1.00 0.00 O ATOM 0 H GLU A 86 2.746 -16.507 -5.003 1.00 0.00 H new ATOM 0 HA GLU A 86 4.813 -15.320 -6.666 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.780 -15.347 -6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.965 -14.999 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.939 -17.349 -7.807 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.532 -17.661 -6.811 1.00 0.00 H new ATOM 1275 N ALA A 87 2.804 -13.597 -4.782 1.00 0.00 N ATOM 1276 CA ALA A 87 2.506 -12.266 -4.263 1.00 0.00 C ATOM 1277 C ALA A 87 3.680 -11.752 -3.438 1.00 0.00 C ATOM 1278 O ALA A 87 4.129 -10.621 -3.615 1.00 0.00 O ATOM 1279 CB ALA A 87 1.241 -12.302 -3.400 1.00 0.00 C ATOM 0 H ALA A 87 2.371 -14.362 -4.264 1.00 0.00 H new ATOM 0 HA ALA A 87 2.339 -11.594 -5.105 1.00 0.00 H new ATOM 0 HB1 ALA A 87 1.031 -11.302 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.400 -12.645 -4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 87 1.391 -12.984 -2.563 1.00 0.00 H new ATOM 1285 N GLN A 88 4.180 -12.602 -2.546 1.00 0.00 N ATOM 1286 CA GLN A 88 5.312 -12.232 -1.709 1.00 0.00 C ATOM 1287 C GLN A 88 6.506 -11.903 -2.601 1.00 0.00 C ATOM 1288 O GLN A 88 7.281 -10.987 -2.314 1.00 0.00 O ATOM 1289 CB GLN A 88 5.609 -13.370 -0.694 1.00 0.00 C ATOM 1290 CG GLN A 88 6.682 -14.345 -1.213 1.00 0.00 C ATOM 1291 CD GLN A 88 8.066 -13.787 -0.925 1.00 0.00 C ATOM 1292 OE1 GLN A 88 9.056 -14.520 -0.924 1.00 0.00 O ATOM 1293 NE2 GLN A 88 8.180 -12.521 -0.682 1.00 0.00 N ATOM 0 H GLN A 88 3.822 -13.543 -2.386 1.00 0.00 H new ATOM 0 HA GLN A 88 5.086 -11.341 -1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 88 5.940 -12.936 0.249 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.691 -13.919 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 88 6.565 -15.317 -0.735 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.558 -14.500 -2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.353 -11.924 -0.686 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.097 -12.120 -0.487 1.00 0.00 H new ATOM 1302 N ALA A 89 6.626 -12.633 -3.704 1.00 0.00 N ATOM 1303 CA ALA A 89 7.704 -12.390 -4.647 1.00 0.00 C ATOM 1304 C ALA A 89 7.358 -11.176 -5.495 1.00 0.00 C ATOM 1305 O ALA A 89 8.185 -10.279 -5.699 1.00 0.00 O ATOM 1306 CB ALA A 89 7.907 -13.611 -5.547 1.00 0.00 C ATOM 0 H ALA A 89 5.995 -13.391 -3.963 1.00 0.00 H new ATOM 0 HA ALA A 89 8.628 -12.206 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.718 -13.415 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.159 -14.477 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.989 -13.812 -6.100 1.00 0.00 H new ATOM 1312 N ALA A 90 6.117 -11.135 -5.973 1.00 0.00 N ATOM 1313 CA ALA A 90 5.695 -10.001 -6.777 1.00 0.00 C ATOM 1314 C ALA A 90 5.691 -8.746 -5.919 1.00 0.00 C ATOM 1315 O ALA A 90 5.638 -7.633 -6.432 1.00 0.00 O ATOM 1316 CB ALA A 90 4.303 -10.227 -7.352 1.00 0.00 C ATOM 0 H ALA A 90 5.408 -11.852 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 90 6.395 -9.885 -7.605 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.011 -9.363 -7.949 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.309 -11.118 -7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.591 -10.362 -6.538 1.00 0.00 H new ATOM 1322 N ALA A 91 5.754 -8.940 -4.605 1.00 0.00 N ATOM 1323 CA ALA A 91 5.761 -7.817 -3.675 1.00 0.00 C ATOM 1324 C ALA A 91 7.154 -7.201 -3.581 1.00 0.00 C ATOM 1325 O ALA A 91 7.301 -5.978 -3.531 1.00 0.00 O ATOM 1326 CB ALA A 91 5.315 -8.282 -2.288 1.00 0.00 C ATOM 0 H ALA A 91 5.801 -9.858 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 91 5.068 -7.063 -4.047 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.324 -7.436 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.306 -8.691 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.997 -9.051 -1.925 1.00 0.00 H new ATOM 1332 N GLU A 92 8.177 -8.048 -3.548 1.00 0.00 N ATOM 1333 CA GLU A 92 9.544 -7.553 -3.449 1.00 0.00 C ATOM 1334 C GLU A 92 9.878 -6.645 -4.637 1.00 0.00 C ATOM 1335 O GLU A 92 10.540 -5.614 -4.474 1.00 0.00 O ATOM 1336 CB GLU A 92 10.538 -8.735 -3.343 1.00 0.00 C ATOM 1337 CG GLU A 92 11.051 -9.163 -4.726 1.00 0.00 C ATOM 1338 CD GLU A 92 11.738 -10.521 -4.629 1.00 0.00 C ATOM 1339 OE1 GLU A 92 12.881 -10.555 -4.204 1.00 0.00 O ATOM 1340 OE2 GLU A 92 11.111 -11.507 -4.981 1.00 0.00 O ATOM 0 H GLU A 92 8.089 -9.063 -3.588 1.00 0.00 H new ATOM 0 HA GLU A 92 9.635 -6.955 -2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.381 -8.448 -2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.050 -9.580 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 92 10.221 -9.215 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.749 -8.419 -5.110 1.00 0.00 H new ATOM 1347 N GLN A 93 9.422 -7.024 -5.832 1.00 0.00 N ATOM 1348 CA GLN A 93 9.708 -6.205 -7.010 1.00 0.00 C ATOM 1349 C GLN A 93 9.078 -4.823 -6.867 1.00 0.00 C ATOM 1350 O GLN A 93 9.424 -3.900 -7.604 1.00 0.00 O ATOM 1351 CB GLN A 93 9.204 -6.876 -8.290 1.00 0.00 C ATOM 1352 CG GLN A 93 7.778 -7.357 -8.079 1.00 0.00 C ATOM 1353 CD GLN A 93 7.249 -8.012 -9.352 1.00 0.00 C ATOM 1354 OE1 GLN A 93 7.683 -9.104 -9.716 1.00 0.00 O ATOM 1355 NE2 GLN A 93 6.331 -7.404 -10.053 1.00 0.00 N ATOM 0 H GLN A 93 8.871 -7.864 -6.008 1.00 0.00 H new ATOM 0 HA GLN A 93 10.790 -6.098 -7.082 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.243 -6.173 -9.122 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.848 -7.716 -8.552 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.745 -8.069 -7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 93 7.141 -6.518 -7.801 1.00 0.00 H new ATOM 0 HE21 GLN A 93 5.973 -6.499 -9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.972 -7.834 -10.905 1.00 0.00 H new ATOM 1364 N LEU A 94 8.173 -4.669 -5.896 1.00 0.00 N ATOM 1365 CA LEU A 94 7.547 -3.370 -5.666 1.00 0.00 C ATOM 1366 C LEU A 94 8.481 -2.529 -4.823 1.00 0.00 C ATOM 1367 O LEU A 94 8.708 -1.353 -5.104 1.00 0.00 O ATOM 1368 CB LEU A 94 6.206 -3.506 -4.932 1.00 0.00 C ATOM 1369 CG LEU A 94 5.283 -4.484 -5.664 1.00 0.00 C ATOM 1370 CD1 LEU A 94 3.902 -4.485 -4.995 1.00 0.00 C ATOM 1371 CD2 LEU A 94 5.142 -4.069 -7.137 1.00 0.00 C ATOM 0 H LEU A 94 7.864 -5.413 -5.270 1.00 0.00 H new ATOM 0 HA LEU A 94 7.357 -2.904 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.377 -3.854 -3.913 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.725 -2.530 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 94 5.712 -5.485 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.246 -5.181 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.002 -4.792 -3.954 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.476 -3.483 -5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.484 -4.770 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.719 -3.066 -7.194 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.123 -4.077 -7.613 1.00 0.00 H new ATOM 1383 N LYS A 95 9.041 -3.156 -3.793 1.00 0.00 N ATOM 1384 CA LYS A 95 9.975 -2.466 -2.914 1.00 0.00 C ATOM 1385 C LYS A 95 10.999 -1.728 -3.759 1.00 0.00 C ATOM 1386 O LYS A 95 11.354 -0.584 -3.482 1.00 0.00 O ATOM 1387 CB LYS A 95 10.695 -3.468 -1.998 1.00 0.00 C ATOM 1388 CG LYS A 95 9.703 -4.120 -1.015 1.00 0.00 C ATOM 1389 CD LYS A 95 9.519 -3.232 0.223 1.00 0.00 C ATOM 1390 CE LYS A 95 8.388 -3.793 1.085 1.00 0.00 C ATOM 1391 NZ LYS A 95 8.841 -5.052 1.741 1.00 0.00 N ATOM 0 H LYS A 95 8.866 -4.131 -3.549 1.00 0.00 H new ATOM 0 HA LYS A 95 9.423 -1.761 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.176 -4.238 -2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 95 11.483 -2.959 -1.443 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.742 -4.275 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 95 10.069 -5.102 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.444 -3.193 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.289 -2.210 -0.079 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.095 -3.063 1.839 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.509 -3.987 0.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.126 -5.361 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.971 -5.791 1.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.743 -4.883 2.230 1.00 0.00 H new ATOM 1405 N THR A 96 11.455 -2.393 -4.809 1.00 0.00 N ATOM 1406 CA THR A 96 12.426 -1.792 -5.712 1.00 0.00 C ATOM 1407 C THR A 96 11.768 -0.688 -6.536 1.00 0.00 C ATOM 1408 O THR A 96 12.366 0.356 -6.797 1.00 0.00 O ATOM 1409 CB THR A 96 12.978 -2.857 -6.658 1.00 0.00 C ATOM 1410 OG1 THR A 96 13.244 -4.046 -5.929 1.00 0.00 O ATOM 1411 CG2 THR A 96 14.268 -2.354 -7.309 1.00 0.00 C ATOM 0 H THR A 96 11.172 -3.341 -5.056 1.00 0.00 H new ATOM 0 HA THR A 96 13.236 -1.367 -5.120 1.00 0.00 H new ATOM 0 HB THR A 96 12.242 -3.064 -7.435 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.596 -4.730 -6.536 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.657 -3.117 -7.983 1.00 0.00 H new ATOM 0 HG22 THR A 96 14.060 -1.444 -7.873 1.00 0.00 H new ATOM 0 HG23 THR A 96 15.007 -2.141 -6.536 1.00 0.00 H new ATOM 1419 N THR A 97 10.531 -0.940 -6.957 1.00 0.00 N ATOM 1420 CA THR A 97 9.791 0.021 -7.765 1.00 0.00 C ATOM 1421 C THR A 97 9.622 1.345 -7.029 1.00 0.00 C ATOM 1422 O THR A 97 9.992 2.409 -7.544 1.00 0.00 O ATOM 1423 CB THR A 97 8.415 -0.546 -8.121 1.00 0.00 C ATOM 1424 OG1 THR A 97 8.567 -1.855 -8.651 1.00 0.00 O ATOM 1425 CG2 THR A 97 7.745 0.354 -9.160 1.00 0.00 C ATOM 0 H THR A 97 10.022 -1.800 -6.752 1.00 0.00 H new ATOM 0 HA THR A 97 10.360 0.204 -8.677 1.00 0.00 H new ATOM 0 HB THR A 97 7.795 -0.587 -7.226 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.758 -2.483 -7.923 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.765 -0.050 -9.413 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.629 1.358 -8.751 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.363 0.397 -10.057 1.00 0.00 H new ATOM 1433 N ILE A 98 9.065 1.293 -5.823 1.00 0.00 N ATOM 1434 CA ILE A 98 8.877 2.518 -5.072 1.00 0.00 C ATOM 1435 C ILE A 98 10.227 3.164 -4.825 1.00 0.00 C ATOM 1436 O ILE A 98 10.313 4.376 -4.644 1.00 0.00 O ATOM 1437 CB ILE A 98 8.136 2.266 -3.742 1.00 0.00 C ATOM 1438 CG1 ILE A 98 9.110 1.761 -2.661 1.00 0.00 C ATOM 1439 CG2 ILE A 98 7.027 1.228 -3.957 1.00 0.00 C ATOM 1440 CD1 ILE A 98 8.326 1.375 -1.405 1.00 0.00 C ATOM 0 H ILE A 98 8.746 0.442 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 98 8.253 3.192 -5.658 1.00 0.00 H new ATOM 0 HB ILE A 98 7.700 3.207 -3.406 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.668 0.901 -3.032 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.839 2.536 -2.423 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.506 1.052 -3.016 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.320 1.599 -4.699 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.466 0.294 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.016 1.018 -0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.788 2.246 -1.030 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.614 0.586 -1.648 1.00 0.00 H new ATOM 1452 N ARG A 99 11.290 2.356 -4.817 1.00 0.00 N ATOM 1453 CA ARG A 99 12.610 2.925 -4.587 1.00 0.00 C ATOM 1454 C ARG A 99 12.967 3.803 -5.769 1.00 0.00 C ATOM 1455 O ARG A 99 13.808 4.687 -5.663 1.00 0.00 O ATOM 1456 CB ARG A 99 13.688 1.835 -4.352 1.00 0.00 C ATOM 1457 CG ARG A 99 13.982 1.679 -2.846 1.00 0.00 C ATOM 1458 CD ARG A 99 14.527 2.999 -2.254 1.00 0.00 C ATOM 1459 NE ARG A 99 15.589 2.718 -1.294 1.00 0.00 N ATOM 1460 CZ ARG A 99 16.116 3.684 -0.549 1.00 0.00 C ATOM 1461 NH1 ARG A 99 15.679 4.908 -0.664 1.00 0.00 N ATOM 1462 NH2 ARG A 99 17.069 3.409 0.298 1.00 0.00 N ATOM 0 H ARG A 99 11.264 1.347 -4.961 1.00 0.00 H new ATOM 0 HA ARG A 99 12.582 3.521 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 99 13.347 0.884 -4.762 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.603 2.101 -4.881 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.072 1.388 -2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.707 0.880 -2.693 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.908 3.635 -3.053 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.721 3.548 -1.766 1.00 0.00 H new ATOM 0 HE ARG A 99 15.933 1.763 -1.193 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.933 5.123 -1.326 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.083 5.650 -0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.410 2.452 0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.473 4.151 0.870 1.00 0.00 H new ATOM 1476 N ALA A 100 12.284 3.588 -6.879 1.00 0.00 N ATOM 1477 CA ALA A 100 12.509 4.418 -8.041 1.00 0.00 C ATOM 1478 C ALA A 100 11.874 5.759 -7.760 1.00 0.00 C ATOM 1479 O ALA A 100 12.475 6.795 -8.011 1.00 0.00 O ATOM 1480 CB ALA A 100 11.889 3.786 -9.290 1.00 0.00 C ATOM 0 H ALA A 100 11.581 2.858 -6.997 1.00 0.00 H new ATOM 0 HA ALA A 100 13.577 4.526 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.071 4.428 -10.151 1.00 0.00 H new ATOM 0 HB2 ALA A 100 12.339 2.809 -9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 100 10.815 3.670 -9.144 1.00 0.00 H new ATOM 1486 N TYR A 101 10.673 5.734 -7.179 1.00 0.00 N ATOM 1487 CA TYR A 101 9.999 6.977 -6.825 1.00 0.00 C ATOM 1488 C TYR A 101 10.649 7.547 -5.561 1.00 0.00 C ATOM 1489 O TYR A 101 10.859 8.746 -5.437 1.00 0.00 O ATOM 1490 CB TYR A 101 8.477 6.725 -6.618 1.00 0.00 C ATOM 1491 CG TYR A 101 7.946 7.526 -5.437 1.00 0.00 C ATOM 1492 CD1 TYR A 101 7.891 8.928 -5.499 1.00 0.00 C ATOM 1493 CD2 TYR A 101 7.543 6.865 -4.269 1.00 0.00 C ATOM 1494 CE1 TYR A 101 7.435 9.660 -4.397 1.00 0.00 C ATOM 1495 CE2 TYR A 101 7.080 7.600 -3.171 1.00 0.00 C ATOM 1496 CZ TYR A 101 7.027 8.997 -3.233 1.00 0.00 C ATOM 1497 OH TYR A 101 6.578 9.720 -2.147 1.00 0.00 O ATOM 0 H TYR A 101 10.159 4.884 -6.949 1.00 0.00 H new ATOM 0 HA TYR A 101 10.102 7.702 -7.632 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.933 7.000 -7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 101 8.300 5.663 -6.450 1.00 0.00 H new ATOM 0 HD1 TYR A 101 8.201 9.441 -6.397 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.590 5.787 -4.216 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.398 10.738 -4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.763 7.088 -2.274 1.00 0.00 H new ATOM 0 HH TYR A 101 6.334 9.106 -1.424 1.00 0.00 H new ATOM 1507 N ASN A 102 10.971 6.680 -4.621 1.00 0.00 N ATOM 1508 CA ASN A 102 11.588 7.135 -3.391 1.00 0.00 C ATOM 1509 C ASN A 102 12.966 7.710 -3.681 1.00 0.00 C ATOM 1510 O ASN A 102 13.304 8.779 -3.205 1.00 0.00 O ATOM 1511 CB ASN A 102 11.696 5.971 -2.382 1.00 0.00 C ATOM 1512 CG ASN A 102 11.618 6.497 -0.958 1.00 0.00 C ATOM 1513 OD1 ASN A 102 11.064 5.844 -0.074 1.00 0.00 O ATOM 1514 ND2 ASN A 102 12.150 7.648 -0.690 1.00 0.00 N ATOM 0 H ASN A 102 10.819 5.673 -4.683 1.00 0.00 H new ATOM 0 HA ASN A 102 10.965 7.916 -2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.894 5.254 -2.556 1.00 0.00 H new ATOM 0 HB3 ASN A 102 12.636 5.439 -2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 102 12.111 8.019 0.259 1.00 0.00 H new ATOM 0 HD22 ASN A 102 12.607 8.183 -1.428 1.00 0.00 H new ATOM 1521 N GLN A 103 13.755 6.997 -4.465 1.00 0.00 N ATOM 1522 CA GLN A 103 15.096 7.463 -4.790 1.00 0.00 C ATOM 1523 C GLN A 103 15.055 8.603 -5.794 1.00 0.00 C ATOM 1524 O GLN A 103 15.783 9.586 -5.654 1.00 0.00 O ATOM 1525 CB GLN A 103 15.912 6.318 -5.379 1.00 0.00 C ATOM 1526 CG GLN A 103 17.396 6.716 -5.497 1.00 0.00 C ATOM 1527 CD GLN A 103 18.278 5.468 -5.536 1.00 0.00 C ATOM 1528 OE1 GLN A 103 19.349 5.446 -4.929 1.00 0.00 O ATOM 1529 NE2 GLN A 103 17.890 4.423 -6.215 1.00 0.00 N ATOM 0 H GLN A 103 13.497 6.104 -4.885 1.00 0.00 H new ATOM 0 HA GLN A 103 15.557 7.822 -3.870 1.00 0.00 H new ATOM 0 HB2 GLN A 103 15.816 5.434 -4.749 1.00 0.00 H new ATOM 0 HB3 GLN A 103 15.521 6.053 -6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 103 17.550 7.307 -6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 103 17.680 7.344 -4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 103 17.003 4.442 -6.718 1.00 0.00 H new ATOM 0 HE22 GLN A 103 18.474 3.587 -6.243 1.00 0.00 H new ATOM 1538 N LYS A 104 14.212 8.471 -6.815 1.00 0.00 N ATOM 1539 CA LYS A 104 14.130 9.522 -7.824 1.00 0.00 C ATOM 1540 C LYS A 104 13.882 10.857 -7.152 1.00 0.00 C ATOM 1541 O LYS A 104 14.551 11.853 -7.425 1.00 0.00 O ATOM 1542 CB LYS A 104 12.987 9.271 -8.826 1.00 0.00 C ATOM 1543 CG LYS A 104 12.740 10.542 -9.688 1.00 0.00 C ATOM 1544 CD LYS A 104 12.245 10.145 -11.084 1.00 0.00 C ATOM 1545 CE LYS A 104 11.792 11.395 -11.840 1.00 0.00 C ATOM 1546 NZ LYS A 104 11.371 11.015 -13.219 1.00 0.00 N ATOM 0 H LYS A 104 13.594 7.673 -6.964 1.00 0.00 H new ATOM 0 HA LYS A 104 15.077 9.524 -8.364 1.00 0.00 H new ATOM 0 HB2 LYS A 104 13.237 8.428 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 104 12.076 9.003 -8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.005 11.183 -9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.661 11.119 -9.771 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.041 9.643 -11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.419 9.438 -11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.965 11.872 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 104 12.604 12.121 -11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.063 11.864 -13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.172 10.579 -13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.584 10.337 -13.167 1.00 0.00 H new ATOM 1560 N TYR A 105 12.863 10.863 -6.310 1.00 0.00 N ATOM 1561 CA TYR A 105 12.437 12.062 -5.623 1.00 0.00 C ATOM 1562 C TYR A 105 13.090 12.226 -4.257 1.00 0.00 C ATOM 1563 O TYR A 105 13.144 13.335 -3.724 1.00 0.00 O ATOM 1564 CB TYR A 105 10.927 11.978 -5.460 1.00 0.00 C ATOM 1565 CG TYR A 105 10.296 12.069 -6.831 1.00 0.00 C ATOM 1566 CD1 TYR A 105 10.021 13.312 -7.361 1.00 0.00 C ATOM 1567 CD2 TYR A 105 10.014 10.917 -7.576 1.00 0.00 C ATOM 1568 CE1 TYR A 105 9.458 13.426 -8.636 1.00 0.00 C ATOM 1569 CE2 TYR A 105 9.447 11.023 -8.849 1.00 0.00 C ATOM 1570 CZ TYR A 105 9.166 12.281 -9.379 1.00 0.00 C ATOM 1571 OH TYR A 105 8.609 12.395 -10.637 1.00 0.00 O ATOM 0 H TYR A 105 12.310 10.036 -6.086 1.00 0.00 H new ATOM 0 HA TYR A 105 12.737 12.928 -6.213 1.00 0.00 H new ATOM 0 HB2 TYR A 105 10.649 11.042 -4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.568 12.786 -4.822 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.241 14.201 -6.789 1.00 0.00 H new ATOM 0 HD2 TYR A 105 10.236 9.943 -7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.249 14.403 -9.047 1.00 0.00 H new ATOM 0 HE2 TYR A 105 9.227 10.133 -9.420 1.00 0.00 H new ATOM 0 HH TYR A 105 8.471 11.502 -11.016 1.00 0.00 H new ATOM 1581 N GLY A 106 13.579 11.133 -3.678 1.00 0.00 N ATOM 1582 CA GLY A 106 14.211 11.214 -2.358 1.00 0.00 C ATOM 1583 C GLY A 106 15.725 11.338 -2.485 1.00 0.00 C ATOM 1584 O GLY A 106 16.361 10.337 -2.772 1.00 0.00 O ATOM 1585 OXT GLY A 106 16.228 12.433 -2.295 1.00 0.00 O ATOM 0 H GLY A 106 13.553 10.199 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.816 12.072 -1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.963 10.326 -1.777 1.00 0.00 H new