USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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: B 81 ASN : amide:sc= 1.95 K(o=3,f=-0.31) USER MOD Set 1.2: B 83 SER OG : rot 98:sc= 1.32 USER MOD Set 1.3: B 84 THR OG1 : rot 180:sc= -0.236 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -0.785 K(o=-0.79,f=-2.8!) USER MOD Set 2.2: B 75 THR OG1 : rot 160:sc= 0 USER MOD Set 3.1: B 66 GLN : amide:sc= -2.19 K(o=-3.1,f=-4!) USER MOD Set 3.2: B 76 ASN : amide:sc= -0.894 K(o=-3.1,f=-4.4) USER MOD Set 4.1: B 56 SER OG : rot 19:sc= 0.376! USER MOD Set 4.2: B 62 LYS NZ :NH3+ 179:sc= 1.26 (180deg=0) USER MOD Set 4.3: B 64 GLN : amide:sc= -1.97! C(o=-0.34!,f=-13!) USER MOD Set 5.1: B 51 LYS NZ :NH3+ 162:sc= 1.04 (180deg=0.351) USER MOD Set 5.2: B 52 CYS SG : rot 37:sc= -0.887 USER MOD Set 6.1: B 13 LYS NZ :NH3+ -170:sc= 0.637 (180deg=0) USER MOD Set 6.2: B 25 TYR OH : rot 180:sc= 0.594 USER MOD Single : B 14 LYS NZ :NH3+ 169:sc= 0.643 (180deg=0.121) USER MOD Single : B 17 GLN : amide:sc= 0.961 K(o=0.96,f=-0.68) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 166:sc= -0.11 (180deg=-0.564) USER MOD Single : B 20 GLN :FLIP amide:sc= -0.102 F(o=-0.89,f=-0.1) USER MOD Single : B 27 MET CE :methyl -119:sc= -2.33! (180deg=-4.58!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -140:sc= -0.244 (180deg=-1.1) USER MOD Single : B 47 TYR OH : rot 152:sc= 1.24 USER MOD Single : B 53 GLN : amide:sc= -4.08! C(o=-4.1!,f=-7.5!) USER MOD Single : B 54 LYS NZ :NH3+ -165:sc= 1.12 (180deg=0.991) USER MOD Single : B 60 LYS NZ :NH3+ -167:sc= 0.51 (180deg=-0.158) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -6.52! C(o=-7.1!,f=-6.5!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -1.58 F(o=-3!,f=-1.6) USER MOD Single : B 80 SER OG : rot 21:sc= -0.283 USER MOD Single : B 87 LYS NZ :NH3+ -174:sc= 1.28 (180deg=1.19) USER MOD Single : B 93 LYS NZ :NH3+ -174:sc= -0.521! (180deg=-0.867!) USER MOD Single : B 97 GLN :FLIP amide:sc= -1.18 F(o=-3.6!,f=-1.2) USER MOD Single : B 98 GLN : amide:sc= 0.055 X(o=0.055,f=0) USER MOD Single : B 102 LYS NZ :NH3+ 162:sc= -0.0697 (180deg=-0.495) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.416 5.072 13.721 1.00 0.00 N ATOM 340 CA ASP A 132 3.210 5.866 13.641 1.00 0.00 C ATOM 341 C ASP A 132 2.371 5.447 12.451 1.00 0.00 C ATOM 342 O ASP A 132 2.162 6.228 11.521 1.00 0.00 O ATOM 343 CB ASP A 132 3.514 7.343 13.487 1.00 0.00 C ATOM 344 CG ASP A 132 4.935 7.785 13.838 1.00 0.00 C ATOM 345 OD1 ASP A 132 5.917 7.187 13.338 1.00 0.00 O ATOM 346 OD2 ASP A 132 5.074 8.803 14.554 1.00 0.00 O ATOM 0 HA ASP A 132 2.671 5.699 14.574 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.313 7.627 12.454 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.818 7.902 14.112 1.00 0.00 H new ATOM 351 N TRP A 133 1.916 4.216 12.462 1.00 0.00 N ATOM 352 CA TRP A 133 1.102 3.703 11.379 1.00 0.00 C ATOM 353 C TRP A 133 -0.047 2.876 11.912 1.00 0.00 C ATOM 354 O TRP A 133 0.130 2.090 12.844 1.00 0.00 O ATOM 355 CB TRP A 133 1.906 2.774 10.465 1.00 0.00 C ATOM 356 CG TRP A 133 3.300 3.189 10.101 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.421 3.098 10.868 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.728 3.688 8.838 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.511 3.540 10.159 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.109 3.911 8.917 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.076 3.978 7.654 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.846 4.412 7.851 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.809 4.472 6.603 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.182 4.687 6.706 1.00 0.00 C ATOM 0 H TRP A 133 2.095 3.547 13.211 1.00 0.00 H new ATOM 0 HA TRP A 133 0.745 4.575 10.830 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.962 1.797 10.945 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.343 2.643 9.541 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.449 2.732 11.884 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.468 3.583 10.509 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.012 3.819 7.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 6.910 4.576 7.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.309 4.700 5.673 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.724 5.079 5.858 1.00 0.00 H new ATOM 375 N GLU A 134 -1.211 3.049 11.313 1.00 0.00 N ATOM 376 CA GLU A 134 -2.357 2.240 11.648 1.00 0.00 C ATOM 377 C GLU A 134 -2.060 0.916 10.981 1.00 0.00 C ATOM 378 O GLU A 134 -2.242 0.755 9.771 1.00 0.00 O ATOM 379 CB GLU A 134 -3.654 2.859 11.113 1.00 0.00 C ATOM 380 CG GLU A 134 -3.840 4.317 11.498 1.00 0.00 C ATOM 381 CD GLU A 134 -3.690 4.555 12.988 1.00 0.00 C ATOM 382 OE1 GLU A 134 -4.673 4.339 13.725 1.00 0.00 O ATOM 383 OE2 GLU A 134 -2.589 4.959 13.415 1.00 0.00 O ATOM 0 H GLU A 134 -1.383 3.747 10.589 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.510 2.146 12.723 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.665 2.775 10.026 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.501 2.283 11.485 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.111 4.925 10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.828 4.649 11.179 1.00 0.00 H new ATOM 390 N GLU A 135 -1.532 -0.003 11.758 1.00 0.00 N ATOM 391 CA GLU A 135 -1.082 -1.269 11.232 1.00 0.00 C ATOM 392 C GLU A 135 -2.194 -2.159 10.698 1.00 0.00 C ATOM 393 O GLU A 135 -3.034 -2.674 11.428 1.00 0.00 O ATOM 394 CB GLU A 135 -0.214 -1.969 12.270 1.00 0.00 C ATOM 395 CG GLU A 135 -0.815 -2.078 13.655 1.00 0.00 C ATOM 396 CD GLU A 135 0.257 -2.328 14.693 1.00 0.00 C ATOM 397 OE1 GLU A 135 1.278 -1.603 14.674 1.00 0.00 O ATOM 398 OE2 GLU A 135 0.109 -3.266 15.496 1.00 0.00 O ATOM 0 H GLU A 135 -1.404 0.106 12.764 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.480 -1.056 10.348 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.013 -2.973 11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.734 -1.436 12.345 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.352 -1.161 13.895 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.543 -2.889 13.677 1.00 0.00 H new ATOM 405 N VAL A 136 -2.158 -2.305 9.378 1.00 0.00 N ATOM 406 CA VAL A 136 -3.091 -3.125 8.630 1.00 0.00 C ATOM 407 C VAL A 136 -2.578 -4.555 8.509 1.00 0.00 C ATOM 408 O VAL A 136 -1.386 -4.801 8.301 1.00 0.00 O ATOM 409 CB VAL A 136 -3.316 -2.542 7.233 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.251 -3.377 6.420 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.800 -1.130 7.339 1.00 0.00 C ATOM 0 H VAL A 136 -1.463 -1.845 8.790 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.037 -3.134 9.171 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.360 -2.547 6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.381 -2.925 5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.839 -4.380 6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.216 -3.436 6.923 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.957 -0.723 6.340 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.739 -1.108 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -3.057 -0.529 7.862 1.00 0.00 H new ATOM 421 N GLU A 137 -3.493 -5.480 8.629 1.00 0.00 N ATOM 422 CA GLU A 137 -3.192 -6.908 8.599 1.00 0.00 C ATOM 423 C GLU A 137 -3.870 -7.622 7.436 1.00 0.00 C ATOM 424 O GLU A 137 -4.835 -7.117 6.862 1.00 0.00 O ATOM 425 CB GLU A 137 -3.612 -7.548 9.916 1.00 0.00 C ATOM 426 CG GLU A 137 -4.379 -6.599 10.811 1.00 0.00 C ATOM 427 CD GLU A 137 -5.809 -6.384 10.346 1.00 0.00 C ATOM 428 OE1 GLU A 137 -6.026 -5.503 9.480 1.00 0.00 O ATOM 429 OE2 GLU A 137 -6.707 -7.099 10.832 1.00 0.00 O ATOM 0 H GLU A 137 -4.484 -5.272 8.752 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.116 -7.012 8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.228 -8.423 9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -2.725 -7.900 10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.387 -6.991 11.828 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.863 -5.639 10.843 1.00 0.00 H new ATOM 436 N GLU A 138 -3.279 -8.750 7.037 1.00 0.00 N ATOM 437 CA GLU A 138 -3.804 -9.589 5.962 1.00 0.00 C ATOM 438 C GLU A 138 -5.305 -9.817 6.141 1.00 0.00 C ATOM 439 O GLU A 138 -5.739 -10.550 7.030 1.00 0.00 O ATOM 440 CB GLU A 138 -3.068 -10.930 5.950 1.00 0.00 C ATOM 441 CG GLU A 138 -1.565 -10.786 5.775 1.00 0.00 C ATOM 442 CD GLU A 138 -0.782 -11.966 6.318 1.00 0.00 C ATOM 443 OE1 GLU A 138 -0.645 -12.076 7.558 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.280 -12.768 5.506 1.00 0.00 O ATOM 0 H GLU A 138 -2.419 -9.107 7.453 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.645 -9.081 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.270 -11.456 6.883 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -3.464 -11.547 5.144 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -1.339 -10.666 4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -1.233 -9.877 6.277 1.00 0.00 H new ATOM 451 N LEU A 139 -6.081 -9.193 5.275 1.00 0.00 N ATOM 452 CA LEU A 139 -7.528 -9.269 5.324 1.00 0.00 C ATOM 453 C LEU A 139 -8.052 -10.311 4.349 1.00 0.00 C ATOM 454 O LEU A 139 -7.677 -10.328 3.180 1.00 0.00 O ATOM 455 CB LEU A 139 -8.097 -7.889 5.013 1.00 0.00 C ATOM 456 CG LEU A 139 -9.445 -7.847 4.293 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.570 -8.301 5.213 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.728 -6.447 3.770 1.00 0.00 C ATOM 0 H LEU A 139 -5.723 -8.616 4.514 1.00 0.00 H new ATOM 0 HA LEU A 139 -7.845 -9.577 6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.195 -7.343 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.370 -7.351 4.405 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.395 -8.534 3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.518 -8.261 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.381 -9.323 5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.617 -7.644 6.081 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.692 -6.437 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.751 -5.745 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.945 -6.155 3.071 1.00 0.00 H new ATOM 815 N VAL B 8 -0.330 -4.536 -13.803 1.00 0.00 N ATOM 816 CA VAL B 8 -0.360 -3.381 -12.923 1.00 0.00 C ATOM 817 C VAL B 8 -1.803 -2.977 -12.648 1.00 0.00 C ATOM 818 O VAL B 8 -2.437 -2.291 -13.447 1.00 0.00 O ATOM 819 CB VAL B 8 0.413 -2.187 -13.514 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.733 -1.172 -12.428 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.687 -2.656 -14.203 1.00 0.00 C ATOM 0 HA VAL B 8 0.129 -3.663 -11.991 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.218 -1.706 -14.261 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.279 -0.335 -12.862 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.194 -0.809 -11.984 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.344 -1.643 -11.658 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.217 -1.796 -14.613 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.325 -3.165 -13.481 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.432 -3.344 -15.010 1.00 0.00 H new ATOM 831 N LEU B 9 -2.304 -3.430 -11.515 1.00 0.00 N ATOM 832 CA LEU B 9 -3.666 -3.166 -11.097 1.00 0.00 C ATOM 833 C LEU B 9 -3.813 -1.748 -10.568 1.00 0.00 C ATOM 834 O LEU B 9 -4.797 -1.066 -10.849 1.00 0.00 O ATOM 835 CB LEU B 9 -4.063 -4.168 -10.013 1.00 0.00 C ATOM 836 CG LEU B 9 -4.016 -5.638 -10.445 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.254 -6.555 -9.257 1.00 0.00 C ATOM 838 CD2 LEU B 9 -5.037 -5.912 -11.538 1.00 0.00 C ATOM 0 H LEU B 9 -1.772 -3.996 -10.854 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.322 -3.273 -11.961 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.403 -4.035 -9.156 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.073 -3.935 -9.676 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.022 -5.841 -10.844 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.217 -7.594 -9.586 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.483 -6.384 -8.505 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.233 -6.346 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.986 -6.961 -11.829 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.037 -5.687 -11.167 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.821 -5.285 -12.403 1.00 0.00 H new ATOM 850 N LEU B 10 -2.834 -1.308 -9.798 1.00 0.00 N ATOM 851 CA LEU B 10 -2.873 0.029 -9.232 1.00 0.00 C ATOM 852 C LEU B 10 -1.583 0.793 -9.492 1.00 0.00 C ATOM 853 O LEU B 10 -0.491 0.320 -9.181 1.00 0.00 O ATOM 854 CB LEU B 10 -3.161 -0.024 -7.737 1.00 0.00 C ATOM 855 CG LEU B 10 -3.771 1.260 -7.173 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.145 1.510 -7.773 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.858 1.200 -5.658 1.00 0.00 C ATOM 0 H LEU B 10 -2.007 -1.852 -9.551 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.682 0.564 -9.729 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.839 -0.854 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.233 -0.236 -7.206 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.118 2.090 -7.445 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.561 2.428 -7.359 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.057 1.607 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.803 0.674 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.295 2.125 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.483 0.357 -5.363 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.859 1.075 -5.241 1.00 0.00 H new ATOM 869 N ILE B 11 -1.723 1.976 -10.075 1.00 0.00 N ATOM 870 CA ILE B 11 -0.583 2.828 -10.375 1.00 0.00 C ATOM 871 C ILE B 11 -0.569 4.032 -9.442 1.00 0.00 C ATOM 872 O ILE B 11 -1.401 4.931 -9.559 1.00 0.00 O ATOM 873 CB ILE B 11 -0.602 3.308 -11.845 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.429 2.113 -12.788 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.484 4.352 -12.088 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.312 2.491 -14.250 1.00 0.00 C ATOM 0 H ILE B 11 -2.623 2.369 -10.351 1.00 0.00 H new ATOM 0 HA ILE B 11 0.320 2.237 -10.224 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.566 3.776 -12.047 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.462 1.558 -12.495 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.278 1.440 -12.664 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.452 4.675 -13.129 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.317 5.210 -11.436 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.460 3.918 -11.873 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.192 1.589 -14.851 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.213 3.018 -14.563 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.554 3.138 -14.390 1.00 0.00 H new ATOM 888 N VAL B 12 0.372 4.026 -8.514 1.00 0.00 N ATOM 889 CA VAL B 12 0.516 5.105 -7.552 1.00 0.00 C ATOM 890 C VAL B 12 1.654 6.023 -7.974 1.00 0.00 C ATOM 891 O VAL B 12 2.709 5.558 -8.417 1.00 0.00 O ATOM 892 CB VAL B 12 0.793 4.549 -6.141 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.765 5.655 -5.103 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.212 3.463 -5.795 1.00 0.00 C ATOM 0 H VAL B 12 1.055 3.276 -8.406 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.417 5.668 -7.525 1.00 0.00 H new ATOM 0 HB VAL B 12 1.792 4.113 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.963 5.234 -4.117 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.527 6.397 -5.341 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.216 6.130 -5.104 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.004 3.080 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.220 3.878 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.134 2.651 -6.518 1.00 0.00 H new ATOM 904 N LYS B 13 1.444 7.320 -7.846 1.00 0.00 N ATOM 905 CA LYS B 13 2.456 8.287 -8.239 1.00 0.00 C ATOM 906 C LYS B 13 3.220 8.829 -7.035 1.00 0.00 C ATOM 907 O LYS B 13 2.928 8.467 -5.900 1.00 0.00 O ATOM 908 CB LYS B 13 1.820 9.433 -9.029 1.00 0.00 C ATOM 909 CG LYS B 13 1.492 9.072 -10.474 1.00 0.00 C ATOM 910 CD LYS B 13 2.750 8.973 -11.330 1.00 0.00 C ATOM 911 CE LYS B 13 3.325 7.562 -11.339 1.00 0.00 C ATOM 912 NZ LYS B 13 4.670 7.514 -11.976 1.00 0.00 N ATOM 0 H LYS B 13 0.586 7.728 -7.475 1.00 0.00 H new ATOM 0 HA LYS B 13 3.174 7.771 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.906 9.746 -8.525 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.497 10.287 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.959 8.122 -10.500 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.824 9.824 -10.894 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.519 9.277 -12.351 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.500 9.668 -10.953 1.00 0.00 H new ATOM 0 HE2 LYS B 13 3.394 7.192 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.646 6.897 -11.873 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.953 6.523 -12.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.636 7.997 -12.896 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.362 7.988 -11.361 1.00 0.00 H new ATOM 926 N LYS B 14 4.157 9.741 -7.331 1.00 0.00 N ATOM 927 CA LYS B 14 5.046 10.397 -6.356 1.00 0.00 C ATOM 928 C LYS B 14 5.122 9.706 -4.989 1.00 0.00 C ATOM 929 O LYS B 14 4.585 10.198 -3.994 1.00 0.00 O ATOM 930 CB LYS B 14 4.609 11.850 -6.167 1.00 0.00 C ATOM 931 CG LYS B 14 5.055 12.782 -7.284 1.00 0.00 C ATOM 932 CD LYS B 14 4.478 14.182 -7.112 1.00 0.00 C ATOM 933 CE LYS B 14 5.095 14.908 -5.925 1.00 0.00 C ATOM 934 NZ LYS B 14 4.476 16.243 -5.702 1.00 0.00 N ATOM 0 H LYS B 14 4.324 10.054 -8.287 1.00 0.00 H new ATOM 0 HA LYS B 14 6.049 10.332 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.522 11.885 -6.091 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.006 12.218 -5.221 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.144 12.836 -7.300 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.742 12.375 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS B 14 4.650 14.760 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.399 14.116 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.978 14.300 -5.028 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.166 15.028 -6.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 4.788 16.622 -4.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 4.766 16.892 -6.461 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 3.440 16.150 -5.703 1.00 0.00 H new ATOM 948 N VAL B 15 5.813 8.576 -4.953 1.00 0.00 N ATOM 949 CA VAL B 15 6.011 7.820 -3.725 1.00 0.00 C ATOM 950 C VAL B 15 7.492 7.835 -3.372 1.00 0.00 C ATOM 951 O VAL B 15 8.321 7.360 -4.143 1.00 0.00 O ATOM 952 CB VAL B 15 5.544 6.351 -3.852 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.896 5.560 -2.602 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.052 6.276 -4.115 1.00 0.00 C ATOM 0 H VAL B 15 6.252 8.158 -5.773 1.00 0.00 H new ATOM 0 HA VAL B 15 5.411 8.292 -2.947 1.00 0.00 H new ATOM 0 HB VAL B 15 6.067 5.910 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.557 4.530 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.976 5.573 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.407 6.009 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.750 5.232 -4.200 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.513 6.744 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.819 6.798 -5.043 1.00 0.00 H new ATOM 964 N ARG B 16 7.824 8.386 -2.221 1.00 0.00 N ATOM 965 CA ARG B 16 9.207 8.463 -1.798 1.00 0.00 C ATOM 966 C ARG B 16 9.483 7.479 -0.675 1.00 0.00 C ATOM 967 O ARG B 16 8.736 7.403 0.287 1.00 0.00 O ATOM 968 CB ARG B 16 9.554 9.882 -1.339 1.00 0.00 C ATOM 969 CG ARG B 16 9.483 10.919 -2.449 1.00 0.00 C ATOM 970 CD ARG B 16 10.146 12.225 -2.041 1.00 0.00 C ATOM 971 NE ARG B 16 11.405 12.452 -2.756 1.00 0.00 N ATOM 972 CZ ARG B 16 12.315 13.363 -2.410 1.00 0.00 C ATOM 973 NH1 ARG B 16 12.123 14.130 -1.341 1.00 0.00 N ATOM 974 NH2 ARG B 16 13.417 13.506 -3.137 1.00 0.00 N ATOM 0 H ARG B 16 7.155 8.786 -1.563 1.00 0.00 H new ATOM 0 HA ARG B 16 9.832 8.205 -2.653 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.873 10.172 -0.539 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.559 9.882 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.968 10.528 -3.344 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.440 11.105 -2.707 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.465 13.053 -2.236 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.336 12.215 -0.968 1.00 0.00 H new ATOM 0 HE ARG B 16 11.598 11.874 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG B 16 11.277 14.023 -0.782 1.00 0.00 H new ATOM 0 HH12 ARG B 16 12.822 14.826 -1.080 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.566 12.920 -3.958 1.00 0.00 H new ATOM 0 HH22 ARG B 16 14.115 14.202 -2.874 1.00 0.00 H new ATOM 988 N GLN B 17 10.544 6.711 -0.804 1.00 0.00 N ATOM 989 CA GLN B 17 10.905 5.769 0.237 1.00 0.00 C ATOM 990 C GLN B 17 12.098 6.321 0.998 1.00 0.00 C ATOM 991 O GLN B 17 13.219 6.326 0.496 1.00 0.00 O ATOM 992 CB GLN B 17 11.200 4.375 -0.337 1.00 0.00 C ATOM 993 CG GLN B 17 12.192 4.362 -1.488 1.00 0.00 C ATOM 994 CD GLN B 17 13.418 3.521 -1.189 1.00 0.00 C ATOM 995 OE1 GLN B 17 13.457 2.333 -1.494 1.00 0.00 O ATOM 996 NE2 GLN B 17 14.419 4.128 -0.574 1.00 0.00 N ATOM 0 H GLN B 17 11.167 6.719 -1.611 1.00 0.00 H new ATOM 0 HA GLN B 17 10.064 5.647 0.919 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.583 3.741 0.463 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.264 3.931 -0.676 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.701 3.978 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.501 5.384 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.347 5.118 -0.338 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.263 3.607 -0.336 1.00 0.00 H new ATOM 1005 N LYS B 18 11.830 6.842 2.189 1.00 0.00 N ATOM 1006 CA LYS B 18 12.870 7.427 3.028 1.00 0.00 C ATOM 1007 C LYS B 18 13.566 8.574 2.294 1.00 0.00 C ATOM 1008 O LYS B 18 14.789 8.636 2.240 1.00 0.00 O ATOM 1009 CB LYS B 18 13.880 6.363 3.465 1.00 0.00 C ATOM 1010 CG LYS B 18 13.402 5.512 4.632 1.00 0.00 C ATOM 1011 CD LYS B 18 13.868 6.071 5.971 1.00 0.00 C ATOM 1012 CE LYS B 18 13.274 5.283 7.127 1.00 0.00 C ATOM 1013 NZ LYS B 18 13.944 5.572 8.425 1.00 0.00 N ATOM 0 H LYS B 18 10.896 6.871 2.598 1.00 0.00 H new ATOM 0 HA LYS B 18 12.401 7.831 3.925 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.099 5.713 2.618 1.00 0.00 H new ATOM 0 HB3 LYS B 18 14.814 6.852 3.742 1.00 0.00 H new ATOM 0 HG2 LYS B 18 12.313 5.458 4.620 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.773 4.494 4.515 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.956 6.037 6.024 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.577 7.118 6.053 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.212 5.515 7.212 1.00 0.00 H new ATOM 0 HE3 LYS B 18 13.351 4.217 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.500 5.009 9.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.952 5.326 8.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.848 6.583 8.647 1.00 0.00 H new ATOM 1027 N LYS B 19 12.746 9.460 1.723 1.00 0.00 N ATOM 1028 CA LYS B 19 13.206 10.649 0.992 1.00 0.00 C ATOM 1029 C LYS B 19 13.674 10.344 -0.436 1.00 0.00 C ATOM 1030 O LYS B 19 14.218 11.223 -1.103 1.00 0.00 O ATOM 1031 CB LYS B 19 14.304 11.390 1.766 1.00 0.00 C ATOM 1032 CG LYS B 19 13.812 12.636 2.489 1.00 0.00 C ATOM 1033 CD LYS B 19 12.764 12.306 3.545 1.00 0.00 C ATOM 1034 CE LYS B 19 13.364 11.548 4.719 1.00 0.00 C ATOM 1035 NZ LYS B 19 14.527 12.265 5.306 1.00 0.00 N ATOM 0 H LYS B 19 11.730 9.373 1.754 1.00 0.00 H new ATOM 0 HA LYS B 19 12.333 11.296 0.905 1.00 0.00 H new ATOM 0 HB2 LYS B 19 14.745 10.709 2.494 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.097 11.672 1.073 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.656 13.139 2.961 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.390 13.333 1.765 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.306 13.228 3.903 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.970 11.710 3.095 1.00 0.00 H new ATOM 0 HE2 LYS B 19 12.602 11.403 5.485 1.00 0.00 H new ATOM 0 HE3 LYS B 19 13.677 10.557 4.390 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.758 11.852 6.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 15.346 12.175 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 14.291 13.271 5.425 1.00 0.00 H new ATOM 1049 N GLN B 20 13.452 9.125 -0.916 1.00 0.00 N ATOM 1050 CA GLN B 20 13.841 8.770 -2.283 1.00 0.00 C ATOM 1051 C GLN B 20 12.601 8.748 -3.176 1.00 0.00 C ATOM 1052 O GLN B 20 11.702 7.940 -2.967 1.00 0.00 O ATOM 1053 CB GLN B 20 14.545 7.411 -2.316 1.00 0.00 C ATOM 1054 CG GLN B 20 15.026 7.019 -3.704 1.00 0.00 C ATOM 1055 CD GLN B 20 15.789 5.706 -3.726 1.00 0.00 C ATOM 1056 OE1 GLN B 20 16.555 5.436 -2.681 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 15.704 4.943 -4.690 1.00 0.00 N flip ATOM 0 H GLN B 20 13.010 8.372 -0.389 1.00 0.00 H new ATOM 0 HA GLN B 20 14.541 9.518 -2.654 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.397 7.434 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.862 6.646 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.167 6.943 -4.371 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.666 7.810 -4.096 1.00 0.00 H new ATOM 0 HE21 GLN B 20 15.104 5.183 -5.479 1.00 0.00 H new ATOM 0 HE22 GLN B 20 16.234 4.072 -4.699 1.00 0.00 H new ATOM 1066 N ASP B 21 12.566 9.622 -4.176 1.00 0.00 N ATOM 1067 CA ASP B 21 11.410 9.738 -5.072 1.00 0.00 C ATOM 1068 C ASP B 21 11.249 8.551 -6.003 1.00 0.00 C ATOM 1069 O ASP B 21 12.220 7.953 -6.463 1.00 0.00 O ATOM 1070 CB ASP B 21 11.477 11.023 -5.904 1.00 0.00 C ATOM 1071 CG ASP B 21 12.894 11.480 -6.177 1.00 0.00 C ATOM 1072 OD1 ASP B 21 13.539 11.988 -5.230 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.358 11.338 -7.318 1.00 0.00 O ATOM 0 H ASP B 21 13.327 10.266 -4.391 1.00 0.00 H new ATOM 0 HA ASP B 21 10.539 9.765 -4.417 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.964 10.862 -6.852 1.00 0.00 H new ATOM 0 HB3 ASP B 21 10.940 11.815 -5.382 1.00 0.00 H new ATOM 1078 N GLY B 22 9.992 8.220 -6.261 1.00 0.00 N ATOM 1079 CA GLY B 22 9.661 7.131 -7.141 1.00 0.00 C ATOM 1080 C GLY B 22 8.166 6.980 -7.299 1.00 0.00 C ATOM 1081 O GLY B 22 7.405 7.874 -6.936 1.00 0.00 O ATOM 0 H GLY B 22 9.184 8.701 -5.865 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.116 7.300 -8.117 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.082 6.205 -6.749 1.00 0.00 H new ATOM 1085 N ALA B 23 7.751 5.861 -7.846 1.00 0.00 N ATOM 1086 CA ALA B 23 6.349 5.568 -8.047 1.00 0.00 C ATOM 1087 C ALA B 23 6.064 4.152 -7.582 1.00 0.00 C ATOM 1088 O ALA B 23 6.892 3.257 -7.762 1.00 0.00 O ATOM 1089 CB ALA B 23 5.973 5.747 -9.504 1.00 0.00 C ATOM 0 H ALA B 23 8.379 5.124 -8.166 1.00 0.00 H new ATOM 0 HA ALA B 23 5.745 6.262 -7.462 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.915 5.522 -9.637 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.166 6.776 -9.806 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.567 5.071 -10.119 1.00 0.00 H new ATOM 1095 N LEU B 24 4.900 3.947 -6.998 1.00 0.00 N ATOM 1096 CA LEU B 24 4.540 2.641 -6.480 1.00 0.00 C ATOM 1097 C LEU B 24 3.567 1.960 -7.446 1.00 0.00 C ATOM 1098 O LEU B 24 2.500 2.492 -7.740 1.00 0.00 O ATOM 1099 CB LEU B 24 3.913 2.810 -5.094 1.00 0.00 C ATOM 1100 CG LEU B 24 4.152 1.668 -4.104 1.00 0.00 C ATOM 1101 CD1 LEU B 24 3.038 1.611 -3.071 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.300 0.331 -4.807 1.00 0.00 C ATOM 0 H LEU B 24 4.188 4.666 -6.870 1.00 0.00 H new ATOM 0 HA LEU B 24 5.426 2.012 -6.388 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.295 3.731 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.838 2.938 -5.217 1.00 0.00 H new ATOM 0 HG LEU B 24 5.092 1.872 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.227 0.792 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU B 24 3.003 2.552 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU B 24 2.084 1.448 -3.573 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.468 -0.452 -4.068 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.391 0.112 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.147 0.372 -5.492 1.00 0.00 H new ATOM 1114 N TYR B 25 3.939 0.793 -7.945 1.00 0.00 N ATOM 1115 CA TYR B 25 3.095 0.067 -8.883 1.00 0.00 C ATOM 1116 C TYR B 25 2.661 -1.276 -8.304 1.00 0.00 C ATOM 1117 O TYR B 25 3.491 -2.109 -7.933 1.00 0.00 O ATOM 1118 CB TYR B 25 3.831 -0.137 -10.210 1.00 0.00 C ATOM 1119 CG TYR B 25 4.269 1.155 -10.867 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.367 1.935 -11.579 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.584 1.596 -10.773 1.00 0.00 C ATOM 1122 CE1 TYR B 25 3.763 3.118 -12.176 1.00 0.00 C ATOM 1123 CE2 TYR B 25 5.986 2.777 -11.366 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.072 3.535 -12.067 1.00 0.00 C ATOM 1125 OH TYR B 25 5.467 4.717 -12.659 1.00 0.00 O ATOM 0 H TYR B 25 4.818 0.328 -7.718 1.00 0.00 H new ATOM 0 HA TYR B 25 2.199 0.661 -9.064 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.707 -0.762 -10.037 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.182 -0.681 -10.896 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.340 1.613 -11.668 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.304 1.005 -10.227 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.049 3.713 -12.726 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.011 3.105 -11.281 1.00 0.00 H new ATOM 0 HH TYR B 25 6.420 4.866 -12.487 1.00 0.00 H new ATOM 1135 N LEU B 26 1.353 -1.467 -8.215 1.00 0.00 N ATOM 1136 CA LEU B 26 0.783 -2.699 -7.694 1.00 0.00 C ATOM 1137 C LEU B 26 0.425 -3.636 -8.833 1.00 0.00 C ATOM 1138 O LEU B 26 -0.478 -3.344 -9.610 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.479 -2.401 -6.882 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.242 -1.785 -5.507 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.549 -1.319 -4.900 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.414 -2.789 -4.592 1.00 0.00 C ATOM 0 H LEU B 26 0.660 -0.775 -8.501 1.00 0.00 H new ATOM 0 HA LEU B 26 1.526 -3.171 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.111 -1.727 -7.459 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.036 -3.329 -6.754 1.00 0.00 H new ATOM 0 HG LEU B 26 0.417 -0.925 -5.626 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.360 -0.883 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.005 -0.571 -5.548 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.224 -2.168 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.578 -2.337 -3.614 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.232 -3.661 -4.486 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.371 -3.096 -5.015 1.00 0.00 H new ATOM 1154 N MET B 27 1.129 -4.749 -8.937 1.00 0.00 N ATOM 1155 CA MET B 27 0.851 -5.716 -9.987 1.00 0.00 C ATOM 1156 C MET B 27 -0.098 -6.789 -9.470 1.00 0.00 C ATOM 1157 O MET B 27 -0.721 -6.620 -8.421 1.00 0.00 O ATOM 1158 CB MET B 27 2.144 -6.342 -10.518 1.00 0.00 C ATOM 1159 CG MET B 27 2.753 -5.586 -11.688 1.00 0.00 C ATOM 1160 SD MET B 27 3.428 -3.985 -11.212 1.00 0.00 S ATOM 1161 CE MET B 27 4.717 -4.507 -10.092 1.00 0.00 C ATOM 0 H MET B 27 1.893 -5.006 -8.312 1.00 0.00 H new ATOM 0 HA MET B 27 0.373 -5.196 -10.817 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.873 -6.390 -9.709 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.941 -7.368 -10.826 1.00 0.00 H new ATOM 0 HG2 MET B 27 3.544 -6.190 -12.133 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.993 -5.441 -12.456 1.00 0.00 H new ATOM 0 HE1 MET B 27 4.525 -4.097 -9.100 1.00 0.00 H new ATOM 0 HE2 MET B 27 4.733 -5.596 -10.038 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.680 -4.147 -10.453 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.214 -7.886 -10.199 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.107 -8.959 -9.805 1.00 0.00 C ATOM 1173 C ALA B 28 -0.455 -9.901 -8.797 1.00 0.00 C ATOM 1174 O ALA B 28 -1.088 -10.303 -7.829 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.572 -9.732 -11.029 1.00 0.00 C ATOM 0 H ALA B 28 0.298 -8.056 -11.065 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.971 -8.507 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.242 -10.535 -10.720 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.100 -9.059 -11.705 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.708 -10.157 -11.541 1.00 0.00 H new ATOM 1181 N GLU B 29 0.811 -10.238 -9.020 1.00 0.00 N ATOM 1182 CA GLU B 29 1.520 -11.160 -8.133 1.00 0.00 C ATOM 1183 C GLU B 29 2.405 -10.451 -7.107 1.00 0.00 C ATOM 1184 O GLU B 29 2.587 -10.943 -5.986 1.00 0.00 O ATOM 1185 CB GLU B 29 2.383 -12.119 -8.952 1.00 0.00 C ATOM 1186 CG GLU B 29 1.682 -13.402 -9.360 1.00 0.00 C ATOM 1187 CD GLU B 29 2.479 -14.638 -8.981 1.00 0.00 C ATOM 1188 OE1 GLU B 29 3.722 -14.618 -9.121 1.00 0.00 O ATOM 1189 OE2 GLU B 29 1.867 -15.626 -8.524 1.00 0.00 O ATOM 0 H GLU B 29 1.366 -9.890 -9.802 1.00 0.00 H new ATOM 0 HA GLU B 29 0.752 -11.704 -7.583 1.00 0.00 H new ATOM 0 HB2 GLU B 29 2.724 -11.604 -9.850 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.271 -12.373 -8.374 1.00 0.00 H new ATOM 0 HG2 GLU B 29 0.702 -13.445 -8.886 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.515 -13.396 -10.437 1.00 0.00 H new ATOM 1196 N ARG B 30 2.956 -9.302 -7.466 1.00 0.00 N ATOM 1197 CA ARG B 30 3.850 -8.605 -6.553 1.00 0.00 C ATOM 1198 C ARG B 30 3.727 -7.091 -6.654 1.00 0.00 C ATOM 1199 O ARG B 30 3.218 -6.554 -7.634 1.00 0.00 O ATOM 1200 CB ARG B 30 5.296 -9.026 -6.834 1.00 0.00 C ATOM 1201 CG ARG B 30 5.708 -8.861 -8.288 1.00 0.00 C ATOM 1202 CD ARG B 30 6.553 -10.033 -8.763 1.00 0.00 C ATOM 1203 NE ARG B 30 6.074 -10.568 -10.036 1.00 0.00 N ATOM 1204 CZ ARG B 30 5.588 -11.799 -10.199 1.00 0.00 C ATOM 1205 NH1 ARG B 30 5.515 -12.635 -9.171 1.00 0.00 N ATOM 1206 NH2 ARG B 30 5.168 -12.192 -11.391 1.00 0.00 N ATOM 0 H ARG B 30 2.805 -8.840 -8.363 1.00 0.00 H new ATOM 0 HA ARG B 30 3.562 -8.883 -5.539 1.00 0.00 H new ATOM 0 HB2 ARG B 30 5.965 -8.437 -6.207 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.424 -10.069 -6.545 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.818 -8.776 -8.912 1.00 0.00 H new ATOM 0 HG3 ARG B 30 6.270 -7.934 -8.405 1.00 0.00 H new ATOM 0 HD2 ARG B 30 7.590 -9.714 -8.870 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.538 -10.820 -8.009 1.00 0.00 H new ATOM 0 HE ARG B 30 6.114 -9.960 -10.854 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.832 -12.338 -8.248 1.00 0.00 H new ATOM 0 HH12 ARG B 30 5.142 -13.575 -9.304 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.216 -11.553 -12.185 1.00 0.00 H new ATOM 0 HH22 ARG B 30 4.796 -13.134 -11.516 1.00 0.00 H new ATOM 1220 N ILE B 31 4.201 -6.423 -5.613 1.00 0.00 N ATOM 1221 CA ILE B 31 4.195 -4.971 -5.545 1.00 0.00 C ATOM 1222 C ILE B 31 5.607 -4.473 -5.835 1.00 0.00 C ATOM 1223 O ILE B 31 6.573 -4.973 -5.257 1.00 0.00 O ATOM 1224 CB ILE B 31 3.722 -4.472 -4.154 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.013 -2.980 -3.977 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.377 -5.275 -3.038 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.523 -2.417 -2.657 1.00 0.00 C ATOM 0 H ILE B 31 4.601 -6.874 -4.790 1.00 0.00 H new ATOM 0 HA ILE B 31 3.495 -4.578 -6.283 1.00 0.00 H new ATOM 0 HB ILE B 31 2.643 -4.619 -4.098 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.088 -2.816 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.546 -2.428 -4.793 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.030 -4.907 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.111 -6.327 -3.142 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.460 -5.167 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.764 -1.355 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.443 -2.548 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE B 31 4.009 -2.942 -1.835 1.00 0.00 H new ATOM 1239 N ALA B 32 5.741 -3.517 -6.736 1.00 0.00 N ATOM 1240 CA ALA B 32 7.058 -3.012 -7.084 1.00 0.00 C ATOM 1241 C ALA B 32 7.110 -1.496 -7.057 1.00 0.00 C ATOM 1242 O ALA B 32 6.104 -0.817 -7.260 1.00 0.00 O ATOM 1243 CB ALA B 32 7.478 -3.532 -8.448 1.00 0.00 C ATOM 0 H ALA B 32 4.966 -3.079 -7.235 1.00 0.00 H new ATOM 0 HA ALA B 32 7.758 -3.375 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.467 -3.146 -8.696 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.508 -4.621 -8.428 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.761 -3.203 -9.200 1.00 0.00 H new ATOM 1249 N TRP B 33 8.296 -0.976 -6.812 1.00 0.00 N ATOM 1250 CA TRP B 33 8.514 0.453 -6.751 1.00 0.00 C ATOM 1251 C TRP B 33 9.729 0.825 -7.599 1.00 0.00 C ATOM 1252 O TRP B 33 10.703 0.070 -7.666 1.00 0.00 O ATOM 1253 CB TRP B 33 8.708 0.880 -5.289 1.00 0.00 C ATOM 1254 CG TRP B 33 9.004 2.339 -5.103 1.00 0.00 C ATOM 1255 CD1 TRP B 33 8.105 3.346 -4.898 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.297 2.948 -5.091 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.762 4.545 -4.770 1.00 0.00 N ATOM 1258 CE2 TRP B 33 10.111 4.325 -4.885 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.593 2.456 -5.242 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 11.177 5.216 -4.824 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.652 3.340 -5.182 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.438 4.708 -4.974 1.00 0.00 C ATOM 0 H TRP B 33 9.135 -1.533 -6.650 1.00 0.00 H new ATOM 0 HA TRP B 33 7.646 0.978 -7.151 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.808 0.630 -4.728 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.523 0.299 -4.859 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.034 3.218 -4.844 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.319 5.451 -4.615 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.765 1.402 -5.403 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.015 6.272 -4.664 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.660 2.971 -5.297 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.286 5.376 -4.931 1.00 0.00 H new ATOM 1273 N ALA B 34 9.646 1.967 -8.262 1.00 0.00 N ATOM 1274 CA ALA B 34 10.724 2.461 -9.110 1.00 0.00 C ATOM 1275 C ALA B 34 10.747 3.981 -9.074 1.00 0.00 C ATOM 1276 O ALA B 34 9.693 4.595 -8.988 1.00 0.00 O ATOM 1277 CB ALA B 34 10.537 1.974 -10.538 1.00 0.00 C ATOM 0 H ALA B 34 8.831 2.579 -8.229 1.00 0.00 H new ATOM 0 HA ALA B 34 11.674 2.079 -8.736 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.349 2.350 -11.160 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.543 0.884 -10.554 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.585 2.338 -10.925 1.00 0.00 H new ATOM 1283 N PRO B 35 11.933 4.613 -9.134 1.00 0.00 N ATOM 1284 CA PRO B 35 12.044 6.078 -9.108 1.00 0.00 C ATOM 1285 C PRO B 35 11.291 6.725 -10.270 1.00 0.00 C ATOM 1286 O PRO B 35 11.214 6.150 -11.362 1.00 0.00 O ATOM 1287 CB PRO B 35 13.550 6.341 -9.223 1.00 0.00 C ATOM 1288 CG PRO B 35 14.205 5.054 -8.848 1.00 0.00 C ATOM 1289 CD PRO B 35 13.247 3.962 -9.236 1.00 0.00 C ATOM 0 HA PRO B 35 11.606 6.504 -8.205 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.821 6.640 -10.236 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.860 7.148 -8.559 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.157 4.937 -9.366 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.417 5.023 -7.779 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.439 3.599 -10.246 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.324 3.104 -8.569 1.00 0.00 H new ATOM 1411 N ILE B 43 12.670 -2.095 -6.811 1.00 0.00 N ATOM 1412 CA ILE B 43 12.332 -2.972 -5.698 1.00 0.00 C ATOM 1413 C ILE B 43 11.019 -3.699 -5.976 1.00 0.00 C ATOM 1414 O ILE B 43 10.111 -3.127 -6.579 1.00 0.00 O ATOM 1415 CB ILE B 43 12.208 -2.175 -4.381 1.00 0.00 C ATOM 1416 CG1 ILE B 43 13.423 -1.261 -4.195 1.00 0.00 C ATOM 1417 CG2 ILE B 43 12.073 -3.120 -3.197 1.00 0.00 C ATOM 1418 CD1 ILE B 43 13.355 -0.409 -2.947 1.00 0.00 C ATOM 0 HA ILE B 43 13.136 -3.700 -5.592 1.00 0.00 H new ATOM 0 HB ILE B 43 11.312 -1.557 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.325 -1.872 -4.159 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.514 -0.610 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE B 43 11.987 -2.541 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE B 43 11.183 -3.736 -3.323 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.953 -3.761 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE B 43 14.248 0.212 -2.881 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.472 0.229 -2.989 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.295 -1.053 -2.070 1.00 0.00 H new ATOM 1430 N SER B 44 10.927 -4.957 -5.556 1.00 0.00 N ATOM 1431 CA SER B 44 9.726 -5.751 -5.764 1.00 0.00 C ATOM 1432 C SER B 44 9.527 -6.733 -4.611 1.00 0.00 C ATOM 1433 O SER B 44 10.462 -7.425 -4.207 1.00 0.00 O ATOM 1434 CB SER B 44 9.827 -6.506 -7.092 1.00 0.00 C ATOM 1435 OG SER B 44 8.572 -7.032 -7.492 1.00 0.00 O ATOM 0 H SER B 44 11.675 -5.448 -5.067 1.00 0.00 H new ATOM 0 HA SER B 44 8.865 -5.083 -5.798 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.204 -5.835 -7.864 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.548 -7.318 -6.995 1.00 0.00 H new ATOM 0 HG SER B 44 8.672 -7.506 -8.344 1.00 0.00 H new ATOM 1441 N HIS B 45 8.312 -6.770 -4.080 1.00 0.00 N ATOM 1442 CA HIS B 45 7.969 -7.665 -2.978 1.00 0.00 C ATOM 1443 C HIS B 45 6.765 -8.503 -3.359 1.00 0.00 C ATOM 1444 O HIS B 45 5.766 -7.977 -3.856 1.00 0.00 O ATOM 1445 CB HIS B 45 7.642 -6.881 -1.697 1.00 0.00 C ATOM 1446 CG HIS B 45 8.665 -5.856 -1.308 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.711 -6.097 -0.443 1.00 0.00 N ATOM 1448 CD2 HIS B 45 8.774 -4.555 -1.672 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.406 -4.962 -0.312 1.00 0.00 C ATOM 1450 NE2 HIS B 45 9.878 -3.995 -1.040 1.00 0.00 N ATOM 0 H HIS B 45 7.539 -6.185 -4.397 1.00 0.00 H new ATOM 0 HA HIS B 45 8.832 -8.302 -2.785 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.681 -6.383 -1.828 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.526 -7.588 -0.875 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.109 -4.036 -2.346 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.284 -4.851 0.308 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.212 -3.035 -1.122 1.00 0.00 H new ATOM 1458 N MET B 46 6.858 -9.800 -3.149 1.00 0.00 N ATOM 1459 CA MET B 46 5.753 -10.686 -3.459 1.00 0.00 C ATOM 1460 C MET B 46 4.690 -10.532 -2.391 1.00 0.00 C ATOM 1461 O MET B 46 5.013 -10.448 -1.206 1.00 0.00 O ATOM 1462 CB MET B 46 6.215 -12.143 -3.524 1.00 0.00 C ATOM 1463 CG MET B 46 7.051 -12.469 -4.747 1.00 0.00 C ATOM 1464 SD MET B 46 6.068 -12.517 -6.257 1.00 0.00 S ATOM 1465 CE MET B 46 4.956 -13.874 -5.893 1.00 0.00 C ATOM 0 H MET B 46 7.683 -10.263 -2.767 1.00 0.00 H new ATOM 0 HA MET B 46 5.349 -10.419 -4.436 1.00 0.00 H new ATOM 0 HB2 MET B 46 6.794 -12.370 -2.629 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.340 -12.792 -3.511 1.00 0.00 H new ATOM 0 HG2 MET B 46 7.840 -11.725 -4.854 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.539 -13.433 -4.604 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.817 -14.481 -6.788 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.380 -14.489 -5.100 1.00 0.00 H new ATOM 0 HE3 MET B 46 3.993 -13.479 -5.570 1.00 0.00 H new ATOM 1475 N TYR B 47 3.428 -10.476 -2.800 1.00 0.00 N ATOM 1476 CA TYR B 47 2.335 -10.334 -1.841 1.00 0.00 C ATOM 1477 C TYR B 47 2.413 -11.444 -0.800 1.00 0.00 C ATOM 1478 O TYR B 47 2.077 -11.249 0.367 1.00 0.00 O ATOM 1479 CB TYR B 47 0.980 -10.355 -2.552 1.00 0.00 C ATOM 1480 CG TYR B 47 0.768 -9.177 -3.477 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.225 -7.912 -3.136 1.00 0.00 C ATOM 1482 CD2 TYR B 47 0.117 -9.333 -4.693 1.00 0.00 C ATOM 1483 CE1 TYR B 47 1.040 -6.836 -3.981 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.069 -8.260 -5.544 1.00 0.00 C ATOM 1485 CZ TYR B 47 0.394 -7.014 -5.182 1.00 0.00 C ATOM 1486 OH TYR B 47 0.215 -5.944 -6.025 1.00 0.00 O ATOM 0 H TYR B 47 3.137 -10.526 -3.776 1.00 0.00 H new ATOM 0 HA TYR B 47 2.434 -9.372 -1.339 1.00 0.00 H new ATOM 0 HB2 TYR B 47 0.893 -11.278 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.186 -10.368 -1.805 1.00 0.00 H new ATOM 0 HD1 TYR B 47 1.734 -7.767 -2.194 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.250 -10.308 -4.978 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.401 -5.858 -3.700 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.575 -8.398 -6.488 1.00 0.00 H new ATOM 0 HH TYR B 47 0.172 -6.261 -6.951 1.00 0.00 H new ATOM 1496 N ALA B 48 2.870 -12.607 -1.243 1.00 0.00 N ATOM 1497 CA ALA B 48 3.044 -13.757 -0.376 1.00 0.00 C ATOM 1498 C ALA B 48 3.912 -13.436 0.840 1.00 0.00 C ATOM 1499 O ALA B 48 3.503 -13.702 1.964 1.00 0.00 O ATOM 1500 CB ALA B 48 3.667 -14.902 -1.161 1.00 0.00 C ATOM 0 H ALA B 48 3.130 -12.777 -2.215 1.00 0.00 H new ATOM 0 HA ALA B 48 2.058 -14.045 -0.011 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.796 -15.764 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.014 -15.171 -1.991 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.638 -14.592 -1.548 1.00 0.00 H new ATOM 1506 N ASP B 49 5.076 -12.821 0.603 1.00 0.00 N ATOM 1507 CA ASP B 49 6.046 -12.500 1.657 1.00 0.00 C ATOM 1508 C ASP B 49 5.576 -11.385 2.586 1.00 0.00 C ATOM 1509 O ASP B 49 6.105 -11.226 3.693 1.00 0.00 O ATOM 1510 CB ASP B 49 7.365 -12.033 1.055 1.00 0.00 C ATOM 1511 CG ASP B 49 7.679 -12.614 -0.313 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.508 -13.834 -0.509 1.00 0.00 O ATOM 1513 OD2 ASP B 49 8.091 -11.833 -1.203 1.00 0.00 O ATOM 0 H ASP B 49 5.373 -12.531 -0.329 1.00 0.00 H new ATOM 0 HA ASP B 49 6.162 -13.423 2.225 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.349 -10.946 0.978 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.173 -12.292 1.739 1.00 0.00 H new ATOM 1518 N ILE B 50 4.622 -10.585 2.157 1.00 0.00 N ATOM 1519 CA ILE B 50 4.158 -9.506 3.008 1.00 0.00 C ATOM 1520 C ILE B 50 3.202 -10.060 4.053 1.00 0.00 C ATOM 1521 O ILE B 50 2.240 -10.756 3.727 1.00 0.00 O ATOM 1522 CB ILE B 50 3.503 -8.364 2.207 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.237 -8.170 0.875 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.521 -7.076 3.023 1.00 0.00 C ATOM 1525 CD1 ILE B 50 3.858 -6.904 0.140 1.00 0.00 C ATOM 0 H ILE B 50 4.162 -10.656 1.249 1.00 0.00 H new ATOM 0 HA ILE B 50 5.026 -9.072 3.504 1.00 0.00 H new ATOM 0 HB ILE B 50 2.466 -8.625 1.996 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.311 -8.161 1.062 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.033 -9.026 0.232 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.056 -6.275 2.449 1.00 0.00 H new ATOM 0 HG22 ILE B 50 2.968 -7.225 3.951 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.551 -6.806 3.254 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.421 -6.842 -0.791 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.791 -6.917 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.089 -6.039 0.762 1.00 0.00 H new ATOM 1537 N LYS B 51 3.490 -9.781 5.317 1.00 0.00 N ATOM 1538 CA LYS B 51 2.668 -10.289 6.398 1.00 0.00 C ATOM 1539 C LYS B 51 1.694 -9.223 6.908 1.00 0.00 C ATOM 1540 O LYS B 51 0.638 -9.537 7.444 1.00 0.00 O ATOM 1541 CB LYS B 51 3.541 -10.773 7.553 1.00 0.00 C ATOM 1542 CG LYS B 51 2.915 -11.918 8.338 1.00 0.00 C ATOM 1543 CD LYS B 51 2.855 -11.622 9.826 1.00 0.00 C ATOM 1544 CE LYS B 51 1.751 -10.629 10.155 1.00 0.00 C ATOM 1545 NZ LYS B 51 0.402 -11.138 9.770 1.00 0.00 N ATOM 0 H LYS B 51 4.281 -9.210 5.614 1.00 0.00 H new ATOM 0 HA LYS B 51 2.091 -11.126 6.003 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.506 -11.094 7.161 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.733 -9.940 8.229 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.908 -12.105 7.965 1.00 0.00 H new ATOM 0 HG3 LYS B 51 3.491 -12.828 8.172 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.688 -12.548 10.375 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.814 -11.224 10.157 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.765 -10.414 11.223 1.00 0.00 H new ATOM 0 HE3 LYS B 51 1.944 -9.689 9.638 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.330 -10.595 10.270 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 0.271 -11.032 8.744 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 0.324 -12.143 10.027 1.00 0.00 H new ATOM 1559 N CYS B 52 2.067 -7.964 6.760 1.00 0.00 N ATOM 1560 CA CYS B 52 1.240 -6.853 7.219 1.00 0.00 C ATOM 1561 C CYS B 52 1.648 -5.573 6.507 1.00 0.00 C ATOM 1562 O CYS B 52 2.697 -5.517 5.868 1.00 0.00 O ATOM 1563 CB CYS B 52 1.400 -6.660 8.734 1.00 0.00 C ATOM 1564 SG CYS B 52 0.178 -7.540 9.738 1.00 0.00 S ATOM 0 H CYS B 52 2.944 -7.680 6.322 1.00 0.00 H new ATOM 0 HA CYS B 52 0.198 -7.082 6.993 1.00 0.00 H new ATOM 0 HB2 CYS B 52 2.397 -6.990 9.026 1.00 0.00 H new ATOM 0 HB3 CYS B 52 1.338 -5.596 8.960 1.00 0.00 H new ATOM 0 HG CYS B 52 -0.082 -8.692 9.194 1.00 0.00 H new ATOM 1570 N GLN B 53 0.819 -4.554 6.618 1.00 0.00 N ATOM 1571 CA GLN B 53 1.106 -3.264 6.016 1.00 0.00 C ATOM 1572 C GLN B 53 0.490 -2.187 6.870 1.00 0.00 C ATOM 1573 O GLN B 53 -0.683 -2.220 7.147 1.00 0.00 O ATOM 1574 CB GLN B 53 0.608 -3.174 4.565 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.904 -3.174 4.406 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.461 -4.559 4.175 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.494 -5.040 3.053 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -1.916 -5.205 5.234 1.00 0.00 N ATOM 0 H GLN B 53 -0.066 -4.594 7.123 1.00 0.00 H new ATOM 0 HA GLN B 53 2.187 -3.131 5.973 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.006 -2.264 4.115 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.018 -4.013 4.003 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.360 -2.747 5.299 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.178 -2.531 3.569 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -1.871 -4.770 6.155 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.312 -6.139 5.130 1.00 0.00 H new ATOM 1587 N LYS B 54 1.272 -1.250 7.323 1.00 0.00 N ATOM 1588 CA LYS B 54 0.735 -0.213 8.163 1.00 0.00 C ATOM 1589 C LYS B 54 0.652 1.085 7.387 1.00 0.00 C ATOM 1590 O LYS B 54 1.356 1.272 6.401 1.00 0.00 O ATOM 1591 CB LYS B 54 1.572 -0.048 9.416 1.00 0.00 C ATOM 1592 CG LYS B 54 2.113 -1.345 9.994 1.00 0.00 C ATOM 1593 CD LYS B 54 2.827 -1.097 11.320 1.00 0.00 C ATOM 1594 CE LYS B 54 3.247 -2.400 11.984 1.00 0.00 C ATOM 1595 NZ LYS B 54 3.453 -2.237 13.450 1.00 0.00 N ATOM 0 H LYS B 54 2.271 -1.180 7.130 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.271 -0.496 8.474 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.410 0.612 9.192 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.969 0.449 10.176 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.295 -2.050 10.144 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.803 -1.803 9.285 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.706 -0.475 11.150 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.169 -0.543 11.990 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.485 -3.159 11.807 1.00 0.00 H new ATOM 0 HE3 LYS B 54 4.168 -2.760 11.526 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.974 -3.057 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.999 -1.370 13.630 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.530 -2.169 13.925 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.202 1.983 7.834 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.406 3.244 7.143 1.00 0.00 C ATOM 1611 C ILE B 55 -0.244 4.433 8.080 1.00 0.00 C ATOM 1612 O ILE B 55 -0.811 4.449 9.161 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.822 3.256 6.538 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.864 3.162 7.660 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.972 2.092 5.577 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -4.064 2.311 7.337 1.00 0.00 C ATOM 0 H ILE B 55 -0.768 1.865 8.674 1.00 0.00 H new ATOM 0 HA ILE B 55 0.348 3.333 6.361 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.979 4.186 5.992 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.382 2.762 8.552 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.205 4.168 7.906 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.974 2.101 5.149 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.236 2.182 4.779 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.814 1.156 6.112 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.745 2.304 8.188 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.576 2.720 6.466 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.741 1.292 7.123 1.00 0.00 H new ATOM 1628 N SER B 56 0.547 5.421 7.691 1.00 0.00 N ATOM 1629 CA SER B 56 0.712 6.587 8.534 1.00 0.00 C ATOM 1630 C SER B 56 -0.488 7.492 8.319 1.00 0.00 C ATOM 1631 O SER B 56 -0.688 8.037 7.212 1.00 0.00 O ATOM 1632 CB SER B 56 2.040 7.308 8.271 1.00 0.00 C ATOM 1633 OG SER B 56 1.938 8.242 7.215 1.00 0.00 O ATOM 0 H SER B 56 1.072 5.438 6.817 1.00 0.00 H new ATOM 0 HA SER B 56 0.757 6.282 9.580 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.359 7.821 9.178 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.809 6.574 8.032 1.00 0.00 H new ATOM 0 HG SER B 56 0.995 8.457 7.058 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.303 7.617 9.378 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.549 8.389 9.384 1.00 0.00 C ATOM 1641 C PRO B 57 -2.347 9.897 9.385 1.00 0.00 C ATOM 1642 O PRO B 57 -1.230 10.398 9.561 1.00 0.00 O ATOM 1643 CB PRO B 57 -3.225 7.952 10.682 1.00 0.00 C ATOM 1644 CG PRO B 57 -2.102 7.583 11.582 1.00 0.00 C ATOM 1645 CD PRO B 57 -1.042 7.003 10.698 1.00 0.00 C ATOM 0 HA PRO B 57 -3.126 8.198 8.479 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.826 8.756 11.107 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.894 7.108 10.516 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.729 8.455 12.119 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.424 6.860 12.332 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -0.043 7.245 11.061 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.110 5.916 10.653 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.449 10.600 9.144 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.482 12.053 9.123 1.00 0.00 C ATOM 1655 C GLU B 58 -2.901 12.624 10.411 1.00 0.00 C ATOM 1656 O GLU B 58 -2.939 11.989 11.466 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.924 12.540 8.936 1.00 0.00 C ATOM 1658 CG GLU B 58 -5.420 12.488 7.494 1.00 0.00 C ATOM 1659 CD GLU B 58 -5.117 11.170 6.804 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -5.439 10.101 7.369 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -4.537 11.195 5.705 1.00 0.00 O ATOM 0 H GLU B 58 -4.354 10.169 8.956 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.875 12.401 8.288 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.584 11.934 9.557 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.999 13.566 9.297 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -6.496 12.659 7.481 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -4.962 13.300 6.929 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.374 13.829 10.318 1.00 0.00 N ATOM 1669 CA GLY B 59 -1.758 14.461 11.463 1.00 0.00 C ATOM 1670 C GLY B 59 -0.286 14.647 11.211 1.00 0.00 C ATOM 1671 O GLY B 59 0.366 15.502 11.807 1.00 0.00 O ATOM 0 H GLY B 59 -2.361 14.387 9.464 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.228 15.425 11.655 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.910 13.850 12.353 1.00 0.00 H new ATOM 1675 N LYS B 60 0.235 13.821 10.317 1.00 0.00 N ATOM 1676 CA LYS B 60 1.628 13.890 9.928 1.00 0.00 C ATOM 1677 C LYS B 60 1.756 14.825 8.736 1.00 0.00 C ATOM 1678 O LYS B 60 0.758 15.174 8.107 1.00 0.00 O ATOM 1679 CB LYS B 60 2.167 12.503 9.560 1.00 0.00 C ATOM 1680 CG LYS B 60 2.427 11.600 10.755 1.00 0.00 C ATOM 1681 CD LYS B 60 3.345 10.445 10.379 1.00 0.00 C ATOM 1682 CE LYS B 60 3.876 9.718 11.608 1.00 0.00 C ATOM 1683 NZ LYS B 60 4.144 10.645 12.741 1.00 0.00 N ATOM 0 H LYS B 60 -0.296 13.089 9.845 1.00 0.00 H new ATOM 0 HA LYS B 60 2.213 14.265 10.768 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.455 12.013 8.896 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.095 12.622 9.000 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.877 12.179 11.561 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.482 11.210 11.132 1.00 0.00 H new ATOM 0 HD2 LYS B 60 2.803 9.741 9.747 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.181 10.823 9.791 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.154 8.964 11.921 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.794 9.191 11.347 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 4.702 10.153 13.468 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 4.675 11.470 12.396 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 3.242 10.961 13.152 1.00 0.00 H new ATOM 1697 N ALA B 61 2.977 15.218 8.418 1.00 0.00 N ATOM 1698 CA ALA B 61 3.214 16.112 7.292 1.00 0.00 C ATOM 1699 C ALA B 61 3.128 15.366 5.965 1.00 0.00 C ATOM 1700 O ALA B 61 3.218 15.970 4.899 1.00 0.00 O ATOM 1701 CB ALA B 61 4.568 16.791 7.434 1.00 0.00 C ATOM 0 H ALA B 61 3.819 14.935 8.920 1.00 0.00 H new ATOM 0 HA ALA B 61 2.435 16.874 7.297 1.00 0.00 H new ATOM 0 HB1 ALA B 61 4.732 17.456 6.586 1.00 0.00 H new ATOM 0 HB2 ALA B 61 4.590 17.369 8.358 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.353 16.035 7.460 1.00 0.00 H new ATOM 1707 N LYS B 62 2.959 14.051 6.035 1.00 0.00 N ATOM 1708 CA LYS B 62 2.868 13.234 4.839 1.00 0.00 C ATOM 1709 C LYS B 62 2.142 11.924 5.123 1.00 0.00 C ATOM 1710 O LYS B 62 2.305 11.325 6.190 1.00 0.00 O ATOM 1711 CB LYS B 62 4.267 12.955 4.276 1.00 0.00 C ATOM 1712 CG LYS B 62 5.227 12.332 5.281 1.00 0.00 C ATOM 1713 CD LYS B 62 6.621 12.923 5.163 1.00 0.00 C ATOM 1714 CE LYS B 62 7.420 12.712 6.435 1.00 0.00 C ATOM 1715 NZ LYS B 62 8.056 11.373 6.478 1.00 0.00 N ATOM 0 H LYS B 62 2.883 13.531 6.909 1.00 0.00 H new ATOM 0 HA LYS B 62 2.292 13.786 4.096 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.176 12.291 3.417 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.694 13.890 3.912 1.00 0.00 H new ATOM 0 HG2 LYS B 62 4.849 12.489 6.291 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.273 11.255 5.121 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.143 12.464 4.323 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.549 13.989 4.949 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.189 13.481 6.511 1.00 0.00 H new ATOM 0 HE3 LYS B 62 6.765 12.830 7.298 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.605 11.278 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.321 10.638 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.689 11.263 5.660 1.00 0.00 H new ATOM 1729 N ILE B 63 1.324 11.507 4.168 1.00 0.00 N ATOM 1730 CA ILE B 63 0.576 10.260 4.267 1.00 0.00 C ATOM 1731 C ILE B 63 1.486 9.132 3.801 1.00 0.00 C ATOM 1732 O ILE B 63 2.135 9.262 2.765 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.708 10.317 3.403 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.766 11.201 4.072 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.264 8.928 3.154 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.576 12.684 3.831 1.00 0.00 C ATOM 0 H ILE B 63 1.159 12.022 3.303 1.00 0.00 H new ATOM 0 HA ILE B 63 0.264 10.092 5.298 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.444 10.753 2.440 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.751 10.908 3.709 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.754 11.014 5.146 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.165 9.001 2.545 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.520 8.327 2.631 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.507 8.457 4.107 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -2.365 13.239 4.338 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -0.606 12.995 4.220 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.619 12.887 2.761 1.00 0.00 H new ATOM 1748 N GLN B 64 1.559 8.028 4.541 1.00 0.00 N ATOM 1749 CA GLN B 64 2.488 6.963 4.146 1.00 0.00 C ATOM 1750 C GLN B 64 1.947 5.547 4.367 1.00 0.00 C ATOM 1751 O GLN B 64 0.898 5.349 4.982 1.00 0.00 O ATOM 1752 CB GLN B 64 3.803 7.126 4.913 1.00 0.00 C ATOM 1753 CG GLN B 64 4.518 8.444 4.667 1.00 0.00 C ATOM 1754 CD GLN B 64 5.289 8.922 5.878 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.403 9.429 5.759 1.00 0.00 O ATOM 1756 NE2 GLN B 64 4.685 8.807 7.046 1.00 0.00 N ATOM 0 H GLN B 64 1.013 7.847 5.383 1.00 0.00 H new ATOM 0 HA GLN B 64 2.638 7.071 3.072 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.601 7.031 5.980 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.471 6.309 4.641 1.00 0.00 H new ATOM 0 HG2 GLN B 64 5.203 8.330 3.826 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.788 9.202 4.383 1.00 0.00 H new ATOM 0 HE21 GLN B 64 3.760 8.380 7.102 1.00 0.00 H new ATOM 0 HE22 GLN B 64 5.143 9.145 7.892 1.00 0.00 H new ATOM 1765 N LEU B 65 2.694 4.572 3.835 1.00 0.00 N ATOM 1766 CA LEU B 65 2.381 3.148 3.939 1.00 0.00 C ATOM 1767 C LEU B 65 3.657 2.326 4.189 1.00 0.00 C ATOM 1768 O LEU B 65 4.564 2.339 3.361 1.00 0.00 O ATOM 1769 CB LEU B 65 1.765 2.692 2.626 1.00 0.00 C ATOM 1770 CG LEU B 65 1.336 1.227 2.576 1.00 0.00 C ATOM 1771 CD1 LEU B 65 -0.107 1.066 3.017 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.544 0.660 1.182 1.00 0.00 C ATOM 0 H LEU B 65 3.549 4.758 3.311 1.00 0.00 H new ATOM 0 HA LEU B 65 1.693 2.997 4.771 1.00 0.00 H new ATOM 0 HB2 LEU B 65 0.895 3.315 2.417 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.484 2.870 1.826 1.00 0.00 H new ATOM 0 HG LEU B 65 1.960 0.665 3.271 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.386 0.013 2.972 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.217 1.427 4.040 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.756 1.642 2.357 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.233 -0.385 1.164 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.950 1.228 0.466 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.598 0.730 0.915 1.00 0.00 H new ATOM 1784 N GLN B 66 3.751 1.633 5.326 1.00 0.00 N ATOM 1785 CA GLN B 66 4.923 0.807 5.601 1.00 0.00 C ATOM 1786 C GLN B 66 4.565 -0.674 5.471 1.00 0.00 C ATOM 1787 O GLN B 66 3.573 -1.138 6.029 1.00 0.00 O ATOM 1788 CB GLN B 66 5.537 1.104 6.976 1.00 0.00 C ATOM 1789 CG GLN B 66 4.875 0.403 8.152 1.00 0.00 C ATOM 1790 CD GLN B 66 5.876 -0.034 9.209 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.604 -0.933 10.003 1.00 0.00 O ATOM 1792 NE2 GLN B 66 7.047 0.587 9.217 1.00 0.00 N ATOM 0 H GLN B 66 3.041 1.628 6.059 1.00 0.00 H new ATOM 0 HA GLN B 66 5.682 1.056 4.859 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.590 0.823 6.953 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.498 2.180 7.148 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.143 1.072 8.604 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.329 -0.469 7.791 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.236 1.328 8.542 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.759 0.324 9.898 1.00 0.00 H new ATOM 1801 N LEU B 67 5.361 -1.405 4.715 1.00 0.00 N ATOM 1802 CA LEU B 67 5.129 -2.827 4.512 1.00 0.00 C ATOM 1803 C LEU B 67 5.910 -3.637 5.531 1.00 0.00 C ATOM 1804 O LEU B 67 7.067 -3.344 5.802 1.00 0.00 O ATOM 1805 CB LEU B 67 5.555 -3.240 3.100 1.00 0.00 C ATOM 1806 CG LEU B 67 4.828 -2.530 1.961 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.423 -2.934 0.622 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.341 -2.846 2.000 1.00 0.00 C ATOM 0 H LEU B 67 6.179 -1.038 4.228 1.00 0.00 H new ATOM 0 HA LEU B 67 4.064 -3.022 4.636 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.625 -3.059 2.994 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.402 -4.314 2.992 1.00 0.00 H new ATOM 0 HG LEU B 67 4.954 -1.455 2.086 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.895 -2.420 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.478 -2.661 0.595 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.324 -4.011 0.490 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.838 -2.332 1.181 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.195 -3.921 1.897 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.923 -2.512 2.950 1.00 0.00 H new ATOM 1820 N VAL B 68 5.268 -4.636 6.103 1.00 0.00 N ATOM 1821 CA VAL B 68 5.900 -5.503 7.083 1.00 0.00 C ATOM 1822 C VAL B 68 5.935 -6.926 6.548 1.00 0.00 C ATOM 1823 O VAL B 68 4.908 -7.606 6.486 1.00 0.00 O ATOM 1824 CB VAL B 68 5.139 -5.481 8.430 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.708 -6.507 9.402 1.00 0.00 C ATOM 1826 CG2 VAL B 68 5.169 -4.089 9.040 1.00 0.00 C ATOM 0 H VAL B 68 4.296 -4.871 5.904 1.00 0.00 H new ATOM 0 HA VAL B 68 6.913 -5.139 7.257 1.00 0.00 H new ATOM 0 HB VAL B 68 4.101 -5.749 8.232 1.00 0.00 H new ATOM 0 HG11 VAL B 68 5.153 -6.468 10.339 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.621 -7.504 8.971 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.758 -6.284 9.593 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.628 -4.095 9.987 1.00 0.00 H new ATOM 0 HG22 VAL B 68 6.203 -3.790 9.214 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.697 -3.382 8.357 1.00 0.00 H new ATOM 1836 N LEU B 69 7.107 -7.369 6.138 1.00 0.00 N ATOM 1837 CA LEU B 69 7.248 -8.708 5.599 1.00 0.00 C ATOM 1838 C LEU B 69 7.568 -9.679 6.723 1.00 0.00 C ATOM 1839 O LEU B 69 8.315 -9.345 7.642 1.00 0.00 O ATOM 1840 CB LEU B 69 8.332 -8.767 4.520 1.00 0.00 C ATOM 1841 CG LEU B 69 8.223 -7.711 3.414 1.00 0.00 C ATOM 1842 CD1 LEU B 69 8.827 -8.219 2.121 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.790 -7.291 3.166 1.00 0.00 C ATOM 0 H LEU B 69 7.970 -6.826 6.167 1.00 0.00 H new ATOM 0 HA LEU B 69 6.304 -8.990 5.132 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.305 -8.664 5.001 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.307 -9.754 4.059 1.00 0.00 H new ATOM 0 HG LEU B 69 8.779 -6.840 3.759 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.738 -7.452 1.352 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.880 -8.454 2.279 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.299 -9.117 1.801 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.762 -6.542 2.375 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.203 -8.159 2.865 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.371 -6.869 4.080 1.00 0.00 H new ATOM 1855 N HIS B 70 7.020 -10.885 6.646 1.00 0.00 N ATOM 1856 CA HIS B 70 7.252 -11.892 7.683 1.00 0.00 C ATOM 1857 C HIS B 70 8.665 -12.462 7.584 1.00 0.00 C ATOM 1858 O HIS B 70 9.058 -13.318 8.373 1.00 0.00 O ATOM 1859 CB HIS B 70 6.209 -13.019 7.607 1.00 0.00 C ATOM 1860 CG HIS B 70 5.871 -13.451 6.214 1.00 0.00 C ATOM 1861 ND1 HIS B 70 6.677 -13.860 5.211 1.00 0.00 N flip ATOM 1862 CD2 HIS B 70 4.593 -13.492 5.705 1.00 0.00 C flip ATOM 1863 CE1 HIS B 70 5.919 -14.161 4.103 1.00 0.00 C flip ATOM 1864 NE2 HIS B 70 4.680 -13.916 4.440 1.00 0.00 N flip ATOM 0 H HIS B 70 6.416 -11.192 5.884 1.00 0.00 H new ATOM 0 HA HIS B 70 7.148 -11.400 8.650 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.580 -13.880 8.162 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.297 -12.689 8.104 1.00 0.00 H new ATOM 0 HD2 HIS B 70 3.687 -13.230 6.231 1.00 0.00 H new ATOM 0 HE1 HIS B 70 6.275 -14.525 3.150 1.00 0.00 H new ATOM 0 HE2 HIS B 70 3.881 -14.033 3.817 1.00 0.00 H new ATOM 1872 N ALA B 71 9.418 -11.975 6.609 1.00 0.00 N ATOM 1873 CA ALA B 71 10.792 -12.406 6.406 1.00 0.00 C ATOM 1874 C ALA B 71 11.748 -11.521 7.197 1.00 0.00 C ATOM 1875 O ALA B 71 12.961 -11.717 7.168 1.00 0.00 O ATOM 1876 CB ALA B 71 11.138 -12.368 4.924 1.00 0.00 C ATOM 0 H ALA B 71 9.096 -11.275 5.941 1.00 0.00 H new ATOM 0 HA ALA B 71 10.895 -13.431 6.764 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.169 -12.692 4.783 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.470 -13.033 4.377 1.00 0.00 H new ATOM 0 HB3 ALA B 71 11.023 -11.351 4.550 1.00 0.00 H new ATOM 1882 N GLY B 72 11.186 -10.545 7.904 1.00 0.00 N ATOM 1883 CA GLY B 72 11.998 -9.636 8.690 1.00 0.00 C ATOM 1884 C GLY B 72 12.382 -8.399 7.907 1.00 0.00 C ATOM 1885 O GLY B 72 13.468 -7.852 8.090 1.00 0.00 O ATOM 0 H GLY B 72 10.182 -10.368 7.946 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.451 -9.343 9.586 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.900 -10.150 9.022 1.00 0.00 H new ATOM 1889 N ASP B 73 11.484 -7.957 7.038 1.00 0.00 N ATOM 1890 CA ASP B 73 11.728 -6.780 6.210 1.00 0.00 C ATOM 1891 C ASP B 73 10.574 -5.793 6.336 1.00 0.00 C ATOM 1892 O ASP B 73 9.441 -6.187 6.614 1.00 0.00 O ATOM 1893 CB ASP B 73 11.914 -7.192 4.742 1.00 0.00 C ATOM 1894 CG ASP B 73 11.983 -6.002 3.802 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.744 -5.055 4.094 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.265 -6.009 2.780 1.00 0.00 O ATOM 0 H ASP B 73 10.576 -8.396 6.886 1.00 0.00 H new ATOM 0 HA ASP B 73 12.640 -6.295 6.557 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.828 -7.778 4.647 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.089 -7.838 4.443 1.00 0.00 H new ATOM 1901 N THR B 74 10.868 -4.517 6.141 1.00 0.00 N ATOM 1902 CA THR B 74 9.867 -3.469 6.221 1.00 0.00 C ATOM 1903 C THR B 74 10.156 -2.398 5.172 1.00 0.00 C ATOM 1904 O THR B 74 11.285 -1.915 5.065 1.00 0.00 O ATOM 1905 CB THR B 74 9.831 -2.819 7.620 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.166 -2.637 8.110 1.00 0.00 O ATOM 1907 CG2 THR B 74 9.036 -3.667 8.602 1.00 0.00 C ATOM 0 H THR B 74 11.806 -4.181 5.923 1.00 0.00 H new ATOM 0 HA THR B 74 8.895 -3.924 6.034 1.00 0.00 H new ATOM 0 HB THR B 74 9.340 -1.850 7.528 1.00 0.00 H new ATOM 0 HG1 THR B 74 11.135 -2.222 8.997 1.00 0.00 H new ATOM 0 HG21 THR B 74 9.029 -3.183 9.578 1.00 0.00 H new ATOM 0 HG22 THR B 74 8.012 -3.775 8.243 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.496 -4.651 8.689 1.00 0.00 H new ATOM 1915 N THR B 75 9.141 -2.017 4.415 1.00 0.00 N ATOM 1916 CA THR B 75 9.311 -1.021 3.371 1.00 0.00 C ATOM 1917 C THR B 75 8.450 0.215 3.635 1.00 0.00 C ATOM 1918 O THR B 75 7.224 0.142 3.608 1.00 0.00 O ATOM 1919 CB THR B 75 8.934 -1.612 2.004 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.186 -3.025 2.002 1.00 0.00 O ATOM 1921 CG2 THR B 75 9.733 -0.952 0.891 1.00 0.00 C ATOM 0 H THR B 75 8.192 -2.381 4.503 1.00 0.00 H new ATOM 0 HA THR B 75 10.360 -0.724 3.369 1.00 0.00 H new ATOM 0 HB THR B 75 7.874 -1.426 1.829 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.668 -3.449 1.286 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.449 -1.386 -0.068 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.526 0.118 0.880 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.797 -1.114 1.062 1.00 0.00 H new ATOM 1929 N ASN B 76 9.095 1.346 3.888 1.00 0.00 N ATOM 1930 CA ASN B 76 8.378 2.592 4.160 1.00 0.00 C ATOM 1931 C ASN B 76 8.118 3.363 2.872 1.00 0.00 C ATOM 1932 O ASN B 76 9.056 3.759 2.182 1.00 0.00 O ATOM 1933 CB ASN B 76 9.179 3.480 5.110 1.00 0.00 C ATOM 1934 CG ASN B 76 8.976 3.127 6.565 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.759 1.970 6.922 1.00 0.00 O ATOM 1936 ND2 ASN B 76 9.037 4.133 7.412 1.00 0.00 N ATOM 0 H ASN B 76 10.111 1.430 3.911 1.00 0.00 H new ATOM 0 HA ASN B 76 7.427 2.326 4.621 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.238 3.399 4.867 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.895 4.520 4.952 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.902 3.969 8.410 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.220 5.077 7.071 1.00 0.00 H new ATOM 1943 N PHE B 77 6.850 3.575 2.551 1.00 0.00 N ATOM 1944 CA PHE B 77 6.481 4.310 1.350 1.00 0.00 C ATOM 1945 C PHE B 77 5.758 5.608 1.699 1.00 0.00 C ATOM 1946 O PHE B 77 4.613 5.599 2.147 1.00 0.00 O ATOM 1947 CB PHE B 77 5.616 3.443 0.434 1.00 0.00 C ATOM 1948 CG PHE B 77 6.412 2.428 -0.338 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.616 2.782 -0.926 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.963 1.124 -0.470 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.355 1.857 -1.633 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.701 0.193 -1.177 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.899 0.562 -1.760 1.00 0.00 C ATOM 0 H PHE B 77 6.059 3.248 3.106 1.00 0.00 H new ATOM 0 HA PHE B 77 7.398 4.568 0.820 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.865 2.928 1.033 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.081 4.085 -0.265 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.980 3.794 -0.829 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.027 0.832 -0.016 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.291 2.147 -2.087 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.342 -0.821 -1.274 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.477 -0.163 -2.314 1.00 0.00 H new ATOM 1963 N HIS B 78 6.455 6.714 1.501 1.00 0.00 N ATOM 1964 CA HIS B 78 5.936 8.045 1.768 1.00 0.00 C ATOM 1965 C HIS B 78 5.213 8.577 0.530 1.00 0.00 C ATOM 1966 O HIS B 78 5.823 8.792 -0.517 1.00 0.00 O ATOM 1967 CB HIS B 78 7.125 8.930 2.201 1.00 0.00 C ATOM 1968 CG HIS B 78 6.998 10.420 2.008 1.00 0.00 C ATOM 1969 ND1 HIS B 78 5.922 11.209 1.755 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 8.082 11.268 2.052 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 6.342 12.531 1.638 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 7.646 12.511 1.826 1.00 0.00 N flip ATOM 0 H HIS B 78 7.411 6.713 1.145 1.00 0.00 H new ATOM 0 HA HIS B 78 5.199 8.039 2.571 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.314 8.744 3.258 1.00 0.00 H new ATOM 0 HB3 HIS B 78 8.008 8.595 1.656 1.00 0.00 H new ATOM 0 HD2 HIS B 78 9.106 10.979 2.237 1.00 0.00 H new ATOM 0 HE1 HIS B 78 5.726 13.395 1.435 1.00 0.00 H new ATOM 0 HE2 HIS B 78 8.245 13.337 1.802 1.00 0.00 H new ATOM 1980 N PHE B 79 3.908 8.770 0.652 1.00 0.00 N ATOM 1981 CA PHE B 79 3.100 9.272 -0.451 1.00 0.00 C ATOM 1982 C PHE B 79 3.230 10.786 -0.550 1.00 0.00 C ATOM 1983 O PHE B 79 2.526 11.530 0.132 1.00 0.00 O ATOM 1984 CB PHE B 79 1.627 8.883 -0.270 1.00 0.00 C ATOM 1985 CG PHE B 79 1.359 7.413 -0.433 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.695 6.516 0.567 1.00 0.00 C ATOM 1987 CD2 PHE B 79 0.768 6.929 -1.588 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.448 5.166 0.417 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.518 5.578 -1.743 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.859 4.695 -0.739 1.00 0.00 C ATOM 0 H PHE B 79 3.384 8.586 1.507 1.00 0.00 H new ATOM 0 HA PHE B 79 3.464 8.821 -1.374 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.299 9.194 0.722 1.00 0.00 H new ATOM 0 HB3 PHE B 79 1.025 9.434 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE B 79 2.156 6.877 1.475 1.00 0.00 H new ATOM 0 HD2 PHE B 79 0.499 7.615 -2.377 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.716 4.478 1.205 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.056 5.214 -2.649 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.666 3.639 -0.857 1.00 0.00 H new ATOM 2000 N SER B 80 4.142 11.230 -1.398 1.00 0.00 N ATOM 2001 CA SER B 80 4.384 12.652 -1.594 1.00 0.00 C ATOM 2002 C SER B 80 3.510 13.208 -2.714 1.00 0.00 C ATOM 2003 O SER B 80 3.738 14.313 -3.206 1.00 0.00 O ATOM 2004 CB SER B 80 5.863 12.887 -1.906 1.00 0.00 C ATOM 2005 OG SER B 80 6.371 11.877 -2.768 1.00 0.00 O ATOM 0 H SER B 80 4.732 10.622 -1.966 1.00 0.00 H new ATOM 0 HA SER B 80 4.124 13.177 -0.675 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.989 13.864 -2.372 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.436 12.900 -0.979 1.00 0.00 H new ATOM 0 HG SER B 80 5.629 11.448 -3.243 1.00 0.00 H new ATOM 2011 N ASN B 81 2.520 12.430 -3.125 1.00 0.00 N ATOM 2012 CA ASN B 81 1.608 12.848 -4.179 1.00 0.00 C ATOM 2013 C ASN B 81 0.433 13.597 -3.568 1.00 0.00 C ATOM 2014 O ASN B 81 -0.565 12.998 -3.185 1.00 0.00 O ATOM 2015 CB ASN B 81 1.114 11.640 -4.979 1.00 0.00 C ATOM 2016 CG ASN B 81 0.308 12.043 -6.199 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.511 13.115 -6.771 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.614 11.191 -6.604 1.00 0.00 N ATOM 0 H ASN B 81 2.327 11.504 -2.744 1.00 0.00 H new ATOM 0 HA ASN B 81 2.139 13.510 -4.863 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.969 11.042 -5.294 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.502 11.008 -4.336 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -1.189 11.410 -7.418 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -0.752 10.313 -6.104 1.00 0.00 H new ATOM 2025 N GLU B 82 0.565 14.910 -3.491 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.452 15.781 -2.905 1.00 0.00 C ATOM 2027 C GLU B 82 -1.825 15.560 -3.542 1.00 0.00 C ATOM 2028 O GLU B 82 -2.859 15.689 -2.884 1.00 0.00 O ATOM 2029 CB GLU B 82 -0.038 17.250 -3.074 1.00 0.00 C ATOM 2030 CG GLU B 82 1.413 17.538 -2.692 1.00 0.00 C ATOM 2031 CD GLU B 82 2.390 17.345 -3.843 1.00 0.00 C ATOM 2032 OE1 GLU B 82 2.070 16.592 -4.793 1.00 0.00 O ATOM 2033 OE2 GLU B 82 3.494 17.926 -3.802 1.00 0.00 O ATOM 0 H GLU B 82 1.385 15.410 -3.834 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.529 15.534 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.194 17.543 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -0.693 17.873 -2.465 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.489 18.563 -2.329 1.00 0.00 H new ATOM 0 HG3 GLU B 82 1.700 16.885 -1.868 1.00 0.00 H new ATOM 2040 N SER B 83 -1.816 15.211 -4.818 1.00 0.00 N ATOM 2041 CA SER B 83 -3.033 14.984 -5.579 1.00 0.00 C ATOM 2042 C SER B 83 -3.932 13.896 -4.972 1.00 0.00 C ATOM 2043 O SER B 83 -5.116 14.139 -4.698 1.00 0.00 O ATOM 2044 CB SER B 83 -2.659 14.607 -7.012 1.00 0.00 C ATOM 2045 OG SER B 83 -1.355 15.069 -7.330 1.00 0.00 O ATOM 0 H SER B 83 -0.961 15.077 -5.357 1.00 0.00 H new ATOM 0 HA SER B 83 -3.609 15.909 -5.557 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.706 13.525 -7.132 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.381 15.036 -7.706 1.00 0.00 H new ATOM 0 HG SER B 83 -0.712 14.338 -7.217 1.00 0.00 H new ATOM 2051 N THR B 84 -3.393 12.703 -4.755 1.00 0.00 N ATOM 2052 CA THR B 84 -4.202 11.606 -4.238 1.00 0.00 C ATOM 2053 C THR B 84 -3.540 10.824 -3.098 1.00 0.00 C ATOM 2054 O THR B 84 -3.959 9.710 -2.823 1.00 0.00 O ATOM 2055 CB THR B 84 -4.533 10.630 -5.385 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.478 10.654 -6.349 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.842 10.996 -6.067 1.00 0.00 C ATOM 0 H THR B 84 -2.414 12.472 -4.926 1.00 0.00 H new ATOM 0 HA THR B 84 -5.102 12.061 -3.825 1.00 0.00 H new ATOM 0 HB THR B 84 -4.636 9.632 -4.960 1.00 0.00 H new ATOM 0 HG1 THR B 84 -3.686 10.033 -7.078 1.00 0.00 H new ATOM 0 HG21 THR B 84 -6.044 10.287 -6.870 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.653 10.961 -5.340 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.768 12.002 -6.481 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.559 11.421 -2.419 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.824 10.761 -1.320 1.00 0.00 C ATOM 2067 C ALA B 85 -2.705 9.887 -0.424 1.00 0.00 C ATOM 2068 O ALA B 85 -2.534 8.669 -0.368 1.00 0.00 O ATOM 2069 CB ALA B 85 -1.111 11.800 -0.467 1.00 0.00 C ATOM 0 H ALA B 85 -2.246 12.373 -2.609 1.00 0.00 H new ATOM 0 HA ALA B 85 -1.105 10.096 -1.799 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.573 11.302 0.339 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.406 12.356 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.843 12.488 -0.044 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.640 10.518 0.277 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.543 9.809 1.185 1.00 0.00 C ATOM 2077 C VAL B 86 -5.346 8.733 0.456 1.00 0.00 C ATOM 2078 O VAL B 86 -5.442 7.593 0.908 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.533 10.784 1.855 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -6.218 10.122 3.039 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.834 12.065 2.284 1.00 0.00 C ATOM 0 H VAL B 86 -3.795 11.525 0.235 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.915 9.339 1.942 1.00 0.00 H new ATOM 0 HB VAL B 86 -6.295 11.048 1.121 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.912 10.826 3.498 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.765 9.243 2.698 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -5.469 9.822 3.771 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.556 12.734 2.753 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -4.043 11.827 2.996 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -4.401 12.553 1.411 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.891 9.110 -0.691 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.716 8.216 -1.494 1.00 0.00 C ATOM 2093 C LYS B 87 -5.921 6.999 -1.977 1.00 0.00 C ATOM 2094 O LYS B 87 -6.393 5.865 -1.886 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.297 8.991 -2.681 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.938 10.317 -2.276 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.818 11.359 -3.378 1.00 0.00 C ATOM 2098 CE LYS B 87 -8.045 12.770 -2.851 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.693 13.810 -3.861 1.00 0.00 N ATOM 0 H LYS B 87 -5.775 10.041 -1.091 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.529 7.842 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.505 9.184 -3.404 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -8.042 8.372 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.990 10.156 -2.040 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.462 10.690 -1.369 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.829 11.295 -3.832 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.543 11.143 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.090 12.885 -2.562 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.447 12.921 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.765 14.753 -3.428 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.720 13.655 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -8.348 13.748 -4.666 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.715 7.239 -2.478 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.854 6.170 -2.966 1.00 0.00 C ATOM 2115 C GLU B 88 -3.441 5.254 -1.822 1.00 0.00 C ATOM 2116 O GLU B 88 -3.481 4.033 -1.953 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.608 6.749 -3.649 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.862 7.270 -5.057 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.757 8.185 -5.557 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.626 9.305 -5.021 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.030 7.802 -6.496 1.00 0.00 O ATOM 0 H GLU B 88 -4.310 8.172 -2.557 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.416 5.589 -3.697 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.215 7.561 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.838 5.979 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.964 6.426 -5.739 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.809 7.809 -5.074 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.075 5.855 -0.692 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.644 5.105 0.486 1.00 0.00 C ATOM 2130 C ARG B 89 -3.663 4.045 0.893 1.00 0.00 C ATOM 2131 O ARG B 89 -3.319 2.875 1.062 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.400 6.056 1.664 1.00 0.00 C ATOM 2133 CG ARG B 89 -2.128 5.344 2.984 1.00 0.00 C ATOM 2134 CD ARG B 89 -3.241 5.588 3.998 1.00 0.00 C ATOM 2135 NE ARG B 89 -2.935 6.706 4.890 1.00 0.00 N ATOM 2136 CZ ARG B 89 -3.845 7.570 5.359 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -5.136 7.419 5.087 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -3.459 8.580 6.126 1.00 0.00 N ATOM 0 H ARG B 89 -3.068 6.867 -0.567 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.716 4.598 0.222 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.553 6.701 1.429 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.270 6.702 1.783 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -2.027 4.273 2.806 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -1.179 5.690 3.395 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -4.174 5.790 3.471 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -3.397 4.685 4.589 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.964 6.837 5.174 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -5.448 6.636 4.513 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.816 8.086 5.452 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -2.472 8.697 6.357 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -4.149 9.240 6.485 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.914 4.453 1.042 1.00 0.00 N ATOM 2153 CA ASP B 90 -5.961 3.532 1.459 1.00 0.00 C ATOM 2154 C ASP B 90 -6.351 2.553 0.365 1.00 0.00 C ATOM 2155 O ASP B 90 -6.742 1.425 0.661 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.185 4.288 1.962 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.097 4.538 3.451 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -6.502 5.557 3.848 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -7.589 3.689 4.224 1.00 0.00 O ATOM 0 H ASP B 90 -5.228 5.410 0.882 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.548 2.945 2.279 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.271 5.238 1.435 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.086 3.717 1.739 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.208 2.953 -0.892 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.553 2.073 -1.996 1.00 0.00 C ATOM 2166 C ALA B 91 -5.517 0.975 -2.072 1.00 0.00 C ATOM 2167 O ALA B 91 -5.834 -0.195 -2.289 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.632 2.837 -3.307 1.00 0.00 C ATOM 0 H ALA B 91 -5.859 3.871 -1.169 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.538 1.641 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.892 2.151 -4.113 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.394 3.612 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.667 3.297 -3.519 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.270 1.375 -1.874 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.162 0.449 -1.864 1.00 0.00 C ATOM 2176 C VAL B 92 -3.310 -0.474 -0.664 1.00 0.00 C ATOM 2177 O VAL B 92 -3.144 -1.683 -0.773 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.814 1.195 -1.788 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.677 0.231 -1.540 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.562 1.982 -3.059 1.00 0.00 C ATOM 0 H VAL B 92 -4.005 2.347 -1.717 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.172 -0.128 -2.789 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.866 1.892 -0.951 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.262 0.781 -1.491 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.842 -0.291 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.631 -0.494 -2.353 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.606 2.500 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.539 1.301 -3.910 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.360 2.712 -3.199 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.649 0.127 0.473 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.854 -0.598 1.721 1.00 0.00 C ATOM 2192 C LYS B 93 -4.854 -1.730 1.528 1.00 0.00 C ATOM 2193 O LYS B 93 -4.555 -2.892 1.794 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.376 0.368 2.791 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.512 -0.246 4.175 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.927 -0.749 4.452 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.860 0.372 4.895 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.431 1.123 3.745 1.00 0.00 N ATOM 0 H LYS B 93 -3.789 1.134 0.554 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.902 -1.025 2.038 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.704 1.224 2.850 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.348 0.748 2.478 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.809 -1.074 4.273 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.239 0.495 4.927 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.327 -1.218 3.553 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.893 -1.518 5.224 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.671 -0.048 5.490 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.315 1.061 5.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -7.976 1.936 4.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.660 1.462 3.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -8.057 0.498 3.198 1.00 0.00 H new ATOM 2212 N ASP B 94 -6.040 -1.363 1.069 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.118 -2.318 0.834 1.00 0.00 C ATOM 2214 C ASP B 94 -6.703 -3.406 -0.142 1.00 0.00 C ATOM 2215 O ASP B 94 -6.839 -4.593 0.154 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.359 -1.595 0.301 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.293 -1.150 1.406 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.897 -0.274 2.204 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.419 -1.673 1.475 1.00 0.00 O ATOM 0 H ASP B 94 -6.285 -0.398 0.848 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.350 -2.790 1.788 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.048 -0.726 -0.279 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.896 -2.256 -0.379 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.193 -3.001 -1.298 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.764 -3.952 -2.316 1.00 0.00 C ATOM 2226 C LEU B 95 -4.687 -4.881 -1.768 1.00 0.00 C ATOM 2227 O LEU B 95 -4.739 -6.094 -1.969 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.245 -3.215 -3.555 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.086 -4.082 -4.807 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.425 -4.676 -5.221 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.492 -3.269 -5.946 1.00 0.00 C ATOM 0 H LEU B 95 -6.066 -2.022 -1.554 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.627 -4.554 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.927 -2.396 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.280 -2.769 -3.316 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.404 -4.900 -4.573 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.291 -5.289 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.815 -5.293 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.129 -3.872 -5.436 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.386 -3.901 -6.828 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.150 -2.431 -6.177 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.513 -2.891 -5.651 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.736 -4.308 -1.046 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.643 -5.072 -0.474 1.00 0.00 C ATOM 2245 C LEU B 96 -3.137 -6.062 0.572 1.00 0.00 C ATOM 2246 O LEU B 96 -2.853 -7.250 0.476 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.603 -4.144 0.153 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.485 -3.691 -0.782 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.410 -2.682 -0.085 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.332 -4.880 -1.252 1.00 0.00 C ATOM 0 H LEU B 96 -3.702 -3.309 -0.843 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.183 -5.632 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.113 -3.261 0.537 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.156 -4.651 1.008 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.937 -3.216 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.203 -2.368 -0.764 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.180 -1.814 0.209 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.851 -3.138 0.801 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.124 -4.537 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.774 -5.381 -0.391 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.314 -5.577 -1.786 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.907 -5.584 1.547 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.388 -6.456 2.613 1.00 0.00 C ATOM 2264 C GLN B 97 -5.356 -7.512 2.097 1.00 0.00 C ATOM 2265 O GLN B 97 -5.527 -8.542 2.732 1.00 0.00 O ATOM 2266 CB GLN B 97 -4.989 -5.656 3.780 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.372 -5.079 3.548 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.964 -4.494 4.818 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.561 -5.028 5.968 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.763 -3.563 4.771 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.207 -4.612 1.620 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.518 -6.986 3.001 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -5.029 -6.304 4.656 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.311 -4.837 4.020 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.318 -4.305 2.783 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -7.031 -5.859 3.166 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -8.048 -3.180 3.869 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.142 -3.172 5.634 1.00 0.00 H new ATOM 2279 N GLN B 98 -5.965 -7.274 0.946 1.00 0.00 N ATOM 2280 CA GLN B 98 -6.882 -8.250 0.369 1.00 0.00 C ATOM 2281 C GLN B 98 -6.109 -9.330 -0.382 1.00 0.00 C ATOM 2282 O GLN B 98 -6.485 -10.500 -0.370 1.00 0.00 O ATOM 2283 CB GLN B 98 -7.886 -7.569 -0.561 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.151 -7.131 0.151 1.00 0.00 C ATOM 2285 CD GLN B 98 -9.979 -6.149 -0.653 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.789 -6.542 -1.492 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -9.792 -4.867 -0.390 1.00 0.00 N ATOM 0 H GLN B 98 -5.844 -6.423 0.396 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.435 -8.720 1.183 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.415 -6.700 -1.021 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.148 -8.254 -1.367 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.757 -8.009 0.375 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.884 -6.676 1.105 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -9.110 -4.585 0.314 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.330 -4.160 -0.891 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.016 -8.933 -1.019 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.196 -9.868 -1.776 1.00 0.00 C ATOM 2298 C LEU B 99 -3.163 -10.551 -0.883 1.00 0.00 C ATOM 2299 O LEU B 99 -2.656 -11.623 -1.212 1.00 0.00 O ATOM 2300 CB LEU B 99 -3.496 -9.144 -2.922 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.445 -8.569 -3.966 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -3.735 -7.533 -4.826 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.026 -9.677 -4.828 1.00 0.00 C ATOM 0 H LEU B 99 -4.677 -7.971 -1.027 1.00 0.00 H new ATOM 0 HA LEU B 99 -4.853 -10.637 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -2.891 -8.335 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -2.811 -9.837 -3.411 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.266 -8.074 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.431 -7.135 -5.565 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.373 -6.722 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -2.892 -7.999 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.701 -9.247 -5.568 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.219 -10.203 -5.337 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.576 -10.377 -4.199 1.00 0.00 H new ATOM 2315 N LEU B 100 -2.869 -9.924 0.250 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.887 -10.438 1.203 1.00 0.00 C ATOM 2317 C LEU B 100 -2.110 -11.898 1.594 1.00 0.00 C ATOM 2318 O LEU B 100 -1.228 -12.735 1.386 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.830 -9.575 2.460 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.816 -8.456 2.379 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.494 -7.902 3.759 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.429 -8.966 1.701 1.00 0.00 C ATOM 0 H LEU B 100 -3.303 -9.046 0.536 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.932 -10.391 0.680 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.816 -9.148 2.643 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.593 -10.208 3.315 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.237 -7.638 1.794 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.238 -7.099 3.667 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.404 -7.513 4.216 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.085 -8.696 4.384 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.164 -8.164 1.639 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.843 -9.794 2.276 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.182 -9.309 0.696 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.278 -12.241 2.158 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.551 -13.606 2.585 1.00 0.00 C ATOM 2336 C PRO B 101 -3.916 -14.511 1.418 1.00 0.00 C ATOM 2337 O PRO B 101 -3.906 -15.736 1.540 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.717 -13.434 3.551 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.453 -12.239 3.053 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.429 -11.348 2.410 1.00 0.00 C ATOM 0 HA PRO B 101 -2.685 -14.089 3.037 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.356 -14.317 3.560 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.366 -13.285 4.572 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.222 -12.527 2.336 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -5.957 -11.724 3.871 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.805 -10.912 1.484 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.155 -10.520 3.064 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.212 -13.900 0.281 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.568 -14.642 -0.917 1.00 0.00 C ATOM 2350 C LYS B 102 -3.313 -15.205 -1.573 1.00 0.00 C ATOM 2351 O LYS B 102 -3.373 -16.142 -2.359 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.323 -13.741 -1.896 1.00 0.00 C ATOM 2353 CG LYS B 102 -5.857 -14.476 -3.113 1.00 0.00 C ATOM 2354 CD LYS B 102 -6.730 -13.574 -3.967 1.00 0.00 C ATOM 2355 CE LYS B 102 -7.410 -14.351 -5.085 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.258 -15.458 -4.564 1.00 0.00 N ATOM 0 H LYS B 102 -4.212 -12.887 0.164 1.00 0.00 H new ATOM 0 HA LYS B 102 -5.220 -15.470 -0.638 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -6.155 -13.268 -1.374 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.659 -12.942 -2.227 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -5.024 -14.849 -3.709 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.433 -15.344 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.485 -13.099 -3.341 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.122 -12.776 -4.394 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.025 -13.672 -5.676 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -6.653 -14.759 -5.754 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -8.926 -15.760 -5.301 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -7.654 -16.261 -4.295 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.787 -15.128 -3.731 1.00 0.00 H new ATOM 2370 N PHE B 103 -2.170 -14.629 -1.240 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.909 -15.085 -1.799 1.00 0.00 C ATOM 2372 C PHE B 103 -0.172 -16.002 -0.839 1.00 0.00 C ATOM 2373 O PHE B 103 0.987 -16.342 -1.061 1.00 0.00 O ATOM 2374 CB PHE B 103 -0.043 -13.904 -2.208 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.289 -13.501 -3.629 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -1.383 -12.721 -3.962 1.00 0.00 C ATOM 2377 CD2 PHE B 103 0.560 -13.930 -4.634 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -1.622 -12.371 -5.275 1.00 0.00 C ATOM 2379 CE2 PHE B 103 0.323 -13.587 -5.947 1.00 0.00 C ATOM 2380 CZ PHE B 103 -0.768 -12.806 -6.268 1.00 0.00 C ATOM 0 H PHE B 103 -2.089 -13.848 -0.588 1.00 0.00 H new ATOM 0 HA PHE B 103 -1.132 -15.667 -2.693 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -0.246 -13.059 -1.550 1.00 0.00 H new ATOM 0 HB3 PHE B 103 1.008 -14.162 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.055 -12.383 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE B 103 1.417 -14.540 -4.387 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.475 -11.758 -5.525 1.00 0.00 H new ATOM 0 HE2 PHE B 103 0.990 -13.929 -6.724 1.00 0.00 H new ATOM 0 HZ PHE B 103 -0.954 -12.535 -7.297 1.00 0.00 H new