USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=25 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= 0.685 K(o=1.6,f=-0.97!) USER MOD Set 1.2: B 84 THR OG1 : rot 94:sc= 0.874 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-5.8!) USER MOD Set 2.2: B 75 THR OG1 : rot 180:sc= 0.0054 USER MOD Set 3.1: B 66 GLN : amide:sc= -2.03 K(o=-4,f=-4.7!) USER MOD Set 3.2: B 76 ASN : amide:sc= -2! K(o=-4!,f=-4.7) USER MOD Set 4.1: B 17 GLN :FLIP amide:sc= 0.555 X(o=0.28,f=0.56) USER MOD Set 4.2: B 20 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0.56) USER MOD Set 5.1: B 13 LYS NZ :NH3+ -174:sc= 0.944 (180deg=0) USER MOD Set 5.2: B 25 TYR OH : rot 180:sc= 0.824 USER MOD Single : B 14 LYS NZ :NH3+ 164:sc= -0.0484 (180deg=-0.319) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ -166:sc= -0.0311 (180deg=-0.349) USER MOD Single : B 27 MET CE :methyl 149:sc= -0.0202 (180deg=-1.62!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl -154:sc= -0.175 (180deg=-0.753) USER MOD Single : B 47 TYR OH : rot 147:sc= 1.23 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 8:sc= 0.389 USER MOD Single : B 53 GLN : amide:sc= -4.47! C(o=-4.5!,f=-9.9!) USER MOD Single : B 54 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.79) USER MOD Single : B 56 SER OG : rot 123:sc= -0.126 USER MOD Single : B 60 LYS NZ :NH3+ -168:sc= 0.964 (180deg=0.386) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -4.29! C(o=-4.3!,f=-4.5!) USER MOD Single : B 70 HIS : no HE2:sc= -6.06! C(o=-6.1!,f=-7.7!) USER MOD Single : B 74 THR OG1 : rot 40:sc= 0.0105 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -0.681 F(o=-2.3,f=-0.68) USER MOD Single : B 80 SER OG : rot 6:sc= 0.277 USER MOD Single : B 83 SER OG : rot -77:sc= 1.16 USER MOD Single : B 87 LYS NZ :NH3+ 164:sc= 1.25 (180deg=1.1) USER MOD Single : B 93 LYS NZ :NH3+ 149:sc= -1.01 (180deg=-1.16!) USER MOD Single : B 97 GLN :FLIP amide:sc= -1.59 F(o=-3.9!,f=-1.6) USER MOD Single : B 98 GLN : amide:sc=-0.00118 X(o=-0.0012,f=-0.31) USER MOD Single : B 102 LYS NZ :NH3+ 173:sc= 0.969 (180deg=0.923) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.899 4.720 13.121 1.00 0.00 N ATOM 340 CA ASP A 132 3.639 5.412 13.335 1.00 0.00 C ATOM 341 C ASP A 132 2.669 5.100 12.218 1.00 0.00 C ATOM 342 O ASP A 132 2.332 5.960 11.405 1.00 0.00 O ATOM 343 CB ASP A 132 3.838 6.906 13.388 1.00 0.00 C ATOM 344 CG ASP A 132 4.982 7.341 14.285 1.00 0.00 C ATOM 345 OD1 ASP A 132 6.140 7.367 13.803 1.00 0.00 O ATOM 346 OD2 ASP A 132 4.728 7.709 15.443 1.00 0.00 O ATOM 0 HA ASP A 132 3.239 5.067 14.288 1.00 0.00 H new ATOM 0 HB2 ASP A 132 4.020 7.275 12.379 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.917 7.373 13.737 1.00 0.00 H new ATOM 351 N TRP A 133 2.257 3.861 12.164 1.00 0.00 N ATOM 352 CA TRP A 133 1.329 3.408 11.146 1.00 0.00 C ATOM 353 C TRP A 133 0.202 2.588 11.742 1.00 0.00 C ATOM 354 O TRP A 133 0.422 1.794 12.657 1.00 0.00 O ATOM 355 CB TRP A 133 2.020 2.490 10.139 1.00 0.00 C ATOM 356 CG TRP A 133 3.420 2.833 9.750 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.550 2.627 10.476 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.844 3.378 8.506 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.642 3.045 9.770 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.237 3.520 8.562 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.179 3.775 7.362 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.975 4.045 7.509 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.910 4.293 6.320 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.296 4.428 6.399 1.00 0.00 C ATOM 0 H TRP A 133 2.550 3.136 12.818 1.00 0.00 H new ATOM 0 HA TRP A 133 0.949 4.312 10.671 1.00 0.00 H new ATOM 0 HB2 TRP A 133 2.021 1.480 10.549 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.414 2.466 9.233 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.580 2.196 11.466 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.607 3.007 10.097 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.106 3.680 7.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.049 4.144 7.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.400 4.602 5.420 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.838 4.844 5.562 1.00 0.00 H new ATOM 375 N GLU A 134 -0.995 2.780 11.209 1.00 0.00 N ATOM 376 CA GLU A 134 -2.132 1.976 11.596 1.00 0.00 C ATOM 377 C GLU A 134 -1.889 0.657 10.893 1.00 0.00 C ATOM 378 O GLU A 134 -2.130 0.522 9.692 1.00 0.00 O ATOM 379 CB GLU A 134 -3.450 2.610 11.138 1.00 0.00 C ATOM 380 CG GLU A 134 -3.629 4.048 11.594 1.00 0.00 C ATOM 381 CD GLU A 134 -3.592 4.192 13.102 1.00 0.00 C ATOM 382 OE1 GLU A 134 -4.634 3.958 13.746 1.00 0.00 O ATOM 383 OE2 GLU A 134 -2.519 4.541 13.637 1.00 0.00 O ATOM 0 H GLU A 134 -1.199 3.490 10.505 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.223 1.872 12.677 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.501 2.575 10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.280 2.013 11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -2.845 4.664 11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.580 4.428 11.220 1.00 0.00 H new ATOM 390 N GLU A 135 -1.344 -0.288 11.624 1.00 0.00 N ATOM 391 CA GLU A 135 -0.948 -1.553 11.050 1.00 0.00 C ATOM 392 C GLU A 135 -2.103 -2.419 10.552 1.00 0.00 C ATOM 393 O GLU A 135 -2.924 -2.930 11.309 1.00 0.00 O ATOM 394 CB GLU A 135 -0.023 -2.285 12.016 1.00 0.00 C ATOM 395 CG GLU A 135 -0.500 -2.336 13.451 1.00 0.00 C ATOM 396 CD GLU A 135 0.660 -2.540 14.404 1.00 0.00 C ATOM 397 OE1 GLU A 135 1.597 -1.709 14.381 1.00 0.00 O ATOM 398 OE2 GLU A 135 0.665 -3.541 15.140 1.00 0.00 O ATOM 0 H GLU A 135 -1.164 -0.203 12.624 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.398 -1.331 10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.114 -3.306 11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.955 -1.804 11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.019 -1.410 13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.219 -3.146 13.570 1.00 0.00 H new ATOM 405 N VAL A 136 -2.119 -2.533 9.230 1.00 0.00 N ATOM 406 CA VAL A 136 -3.079 -3.314 8.463 1.00 0.00 C ATOM 407 C VAL A 136 -2.688 -4.791 8.363 1.00 0.00 C ATOM 408 O VAL A 136 -1.521 -5.146 8.179 1.00 0.00 O ATOM 409 CB VAL A 136 -3.183 -2.744 7.048 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.106 -3.550 6.179 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.604 -1.307 7.100 1.00 0.00 C ATOM 0 H VAL A 136 -1.434 -2.063 8.638 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.033 -3.252 8.986 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.195 -2.803 6.592 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.148 -3.107 5.184 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.736 -4.573 6.106 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.105 -3.556 6.616 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.675 -0.912 6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.576 -1.230 7.588 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.868 -0.733 7.663 1.00 0.00 H new ATOM 421 N GLU A 137 -3.684 -5.633 8.460 1.00 0.00 N ATOM 422 CA GLU A 137 -3.509 -7.081 8.407 1.00 0.00 C ATOM 423 C GLU A 137 -4.173 -7.676 7.171 1.00 0.00 C ATOM 424 O GLU A 137 -5.054 -7.053 6.574 1.00 0.00 O ATOM 425 CB GLU A 137 -4.084 -7.726 9.662 1.00 0.00 C ATOM 426 CG GLU A 137 -4.633 -6.711 10.639 1.00 0.00 C ATOM 427 CD GLU A 137 -6.044 -6.265 10.287 1.00 0.00 C ATOM 428 OE1 GLU A 137 -6.190 -5.422 9.369 1.00 0.00 O ATOM 429 OE2 GLU A 137 -6.999 -6.761 10.916 1.00 0.00 O ATOM 0 H GLU A 137 -4.654 -5.340 8.580 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.440 -7.285 8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.877 -8.418 9.379 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.308 -8.314 10.152 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.630 -7.139 11.642 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.976 -5.842 10.662 1.00 0.00 H new ATOM 436 N GLU A 138 -3.678 -8.839 6.742 1.00 0.00 N ATOM 437 CA GLU A 138 -4.234 -9.540 5.590 1.00 0.00 C ATOM 438 C GLU A 138 -5.748 -9.703 5.764 1.00 0.00 C ATOM 439 O GLU A 138 -6.223 -10.480 6.592 1.00 0.00 O ATOM 440 CB GLU A 138 -3.550 -10.904 5.404 1.00 0.00 C ATOM 441 CG GLU A 138 -3.557 -11.787 6.645 1.00 0.00 C ATOM 442 CD GLU A 138 -2.979 -13.165 6.390 1.00 0.00 C ATOM 443 OE1 GLU A 138 -3.211 -13.726 5.298 1.00 0.00 O ATOM 444 OE2 GLU A 138 -2.272 -13.688 7.276 1.00 0.00 O ATOM 0 H GLU A 138 -2.889 -9.315 7.180 1.00 0.00 H new ATOM 0 HA GLU A 138 -4.048 -8.951 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -4.044 -11.437 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.517 -10.740 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -2.986 -11.299 7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -4.580 -11.889 7.007 1.00 0.00 H new ATOM 451 N LEU A 139 -6.494 -8.956 4.975 1.00 0.00 N ATOM 452 CA LEU A 139 -7.941 -8.957 5.052 1.00 0.00 C ATOM 453 C LEU A 139 -8.557 -9.918 4.052 1.00 0.00 C ATOM 454 O LEU A 139 -8.293 -9.854 2.853 1.00 0.00 O ATOM 455 CB LEU A 139 -8.453 -7.545 4.811 1.00 0.00 C ATOM 456 CG LEU A 139 -9.825 -7.430 4.144 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.937 -7.764 5.130 1.00 0.00 C ATOM 458 CD2 LEU A 139 -10.030 -6.037 3.569 1.00 0.00 C ATOM 0 H LEU A 139 -6.115 -8.332 4.263 1.00 0.00 H new ATOM 0 HA LEU A 139 -8.233 -9.295 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.493 -7.027 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.726 -7.018 4.193 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.862 -8.150 3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.903 -7.675 4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.808 -8.784 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.897 -7.072 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -11.012 -5.978 3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.965 -5.300 4.369 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -9.260 -5.833 2.825 1.00 0.00 H new ATOM 815 N VAL B 8 -0.534 -4.931 -13.908 1.00 0.00 N ATOM 816 CA VAL B 8 -0.411 -3.926 -12.871 1.00 0.00 C ATOM 817 C VAL B 8 -1.810 -3.427 -12.537 1.00 0.00 C ATOM 818 O VAL B 8 -2.379 -2.608 -13.255 1.00 0.00 O ATOM 819 CB VAL B 8 0.475 -2.740 -13.311 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.731 -1.799 -12.143 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.788 -3.238 -13.897 1.00 0.00 C ATOM 0 HA VAL B 8 0.068 -4.374 -12.001 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.056 -2.187 -14.086 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.357 -0.970 -12.474 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.218 -1.412 -11.773 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.238 -2.340 -11.344 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.397 -2.387 -14.201 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.324 -3.819 -13.147 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.584 -3.866 -14.764 1.00 0.00 H new ATOM 831 N LEU B 9 -2.356 -3.948 -11.454 1.00 0.00 N ATOM 832 CA LEU B 9 -3.703 -3.618 -11.018 1.00 0.00 C ATOM 833 C LEU B 9 -3.829 -2.172 -10.551 1.00 0.00 C ATOM 834 O LEU B 9 -4.801 -1.493 -10.877 1.00 0.00 O ATOM 835 CB LEU B 9 -4.115 -4.572 -9.898 1.00 0.00 C ATOM 836 CG LEU B 9 -4.169 -6.049 -10.302 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.393 -6.932 -9.087 1.00 0.00 C ATOM 838 CD2 LEU B 9 -5.262 -6.281 -11.335 1.00 0.00 C ATOM 0 H LEU B 9 -1.877 -4.615 -10.849 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.368 -3.730 -11.874 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.415 -4.461 -9.069 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.096 -4.274 -9.528 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.210 -6.315 -10.747 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.428 -7.976 -9.398 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.576 -6.791 -8.379 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.336 -6.663 -8.611 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -5.285 -7.336 -11.610 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.226 -5.994 -10.915 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -5.059 -5.680 -12.221 1.00 0.00 H new ATOM 850 N LEU B 10 -2.858 -1.701 -9.789 1.00 0.00 N ATOM 851 CA LEU B 10 -2.907 -0.334 -9.293 1.00 0.00 C ATOM 852 C LEU B 10 -1.614 0.423 -9.550 1.00 0.00 C ATOM 853 O LEU B 10 -0.534 -0.004 -9.144 1.00 0.00 O ATOM 854 CB LEU B 10 -3.237 -0.308 -7.808 1.00 0.00 C ATOM 855 CG LEU B 10 -3.841 1.009 -7.322 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.182 1.261 -7.992 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.994 1.012 -5.811 1.00 0.00 C ATOM 0 H LEU B 10 -2.037 -2.234 -9.503 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.699 0.170 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.934 -1.117 -7.588 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.327 -0.508 -7.242 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.159 1.814 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.597 2.203 -7.633 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.045 1.313 -9.072 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.867 0.448 -7.752 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.426 1.960 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.649 0.195 -5.510 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -3.017 0.883 -5.346 1.00 0.00 H new ATOM 869 N ILE B 11 -1.741 1.552 -10.232 1.00 0.00 N ATOM 870 CA ILE B 11 -0.603 2.400 -10.537 1.00 0.00 C ATOM 871 C ILE B 11 -0.617 3.623 -9.636 1.00 0.00 C ATOM 872 O ILE B 11 -1.456 4.511 -9.781 1.00 0.00 O ATOM 873 CB ILE B 11 -0.591 2.837 -12.020 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.353 1.620 -12.919 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.473 3.905 -12.260 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.347 1.939 -14.399 1.00 0.00 C ATOM 0 H ILE B 11 -2.631 1.903 -10.587 1.00 0.00 H new ATOM 0 HA ILE B 11 0.302 1.820 -10.357 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.560 3.270 -12.267 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.601 1.165 -12.652 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.127 0.878 -12.721 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.464 4.198 -13.310 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.262 4.775 -11.639 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.454 3.505 -12.003 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.173 1.025 -14.967 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.309 2.365 -14.683 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.445 2.656 -14.613 1.00 0.00 H new ATOM 888 N VAL B 12 0.307 3.640 -8.697 1.00 0.00 N ATOM 889 CA VAL B 12 0.435 4.729 -7.750 1.00 0.00 C ATOM 890 C VAL B 12 1.568 5.649 -8.182 1.00 0.00 C ATOM 891 O VAL B 12 2.592 5.188 -8.697 1.00 0.00 O ATOM 892 CB VAL B 12 0.713 4.188 -6.335 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.481 5.257 -5.286 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.149 2.964 -6.058 1.00 0.00 C ATOM 0 H VAL B 12 0.993 2.896 -8.569 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.501 5.287 -7.729 1.00 0.00 H new ATOM 0 HB VAL B 12 1.761 3.894 -6.283 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.685 4.847 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.146 6.101 -5.473 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.555 5.594 -5.333 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.058 2.593 -5.054 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.202 3.236 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.079 2.186 -6.787 1.00 0.00 H new ATOM 904 N LYS B 13 1.390 6.940 -7.986 1.00 0.00 N ATOM 905 CA LYS B 13 2.405 7.902 -8.381 1.00 0.00 C ATOM 906 C LYS B 13 3.166 8.454 -7.180 1.00 0.00 C ATOM 907 O LYS B 13 2.870 8.108 -6.043 1.00 0.00 O ATOM 908 CB LYS B 13 1.782 9.042 -9.188 1.00 0.00 C ATOM 909 CG LYS B 13 1.473 8.670 -10.634 1.00 0.00 C ATOM 910 CD LYS B 13 2.743 8.474 -11.457 1.00 0.00 C ATOM 911 CE LYS B 13 3.161 7.010 -11.524 1.00 0.00 C ATOM 912 NZ LYS B 13 4.405 6.818 -12.322 1.00 0.00 N ATOM 0 H LYS B 13 0.558 7.348 -7.559 1.00 0.00 H new ATOM 0 HA LYS B 13 3.123 7.375 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.861 9.361 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.460 9.895 -9.178 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.883 7.754 -10.655 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.864 9.452 -11.087 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.582 8.851 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.551 9.062 -11.022 1.00 0.00 H new ATOM 0 HE2 LYS B 13 3.317 6.631 -10.514 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.355 6.423 -11.964 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.597 5.801 -12.427 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.284 7.246 -13.262 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.204 7.272 -11.835 1.00 0.00 H new ATOM 926 N LYS B 14 4.108 9.353 -7.486 1.00 0.00 N ATOM 927 CA LYS B 14 5.003 10.018 -6.522 1.00 0.00 C ATOM 928 C LYS B 14 5.075 9.356 -5.138 1.00 0.00 C ATOM 929 O LYS B 14 4.599 9.905 -4.140 1.00 0.00 O ATOM 930 CB LYS B 14 4.591 11.483 -6.367 1.00 0.00 C ATOM 931 CG LYS B 14 5.039 12.376 -7.514 1.00 0.00 C ATOM 932 CD LYS B 14 4.050 12.345 -8.671 1.00 0.00 C ATOM 933 CE LYS B 14 4.555 13.144 -9.861 1.00 0.00 C ATOM 934 NZ LYS B 14 5.822 12.587 -10.407 1.00 0.00 N ATOM 0 H LYS B 14 4.277 9.651 -8.447 1.00 0.00 H new ATOM 0 HA LYS B 14 6.004 9.927 -6.943 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.506 11.537 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.005 11.870 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.149 13.400 -7.157 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.019 12.054 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.875 11.312 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.092 12.747 -8.342 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.795 13.151 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.713 14.180 -9.562 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.990 12.974 -11.357 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.612 12.846 -9.783 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.750 11.551 -10.463 1.00 0.00 H new ATOM 948 N VAL B 15 5.705 8.190 -5.092 1.00 0.00 N ATOM 949 CA VAL B 15 5.901 7.455 -3.852 1.00 0.00 C ATOM 950 C VAL B 15 7.385 7.484 -3.517 1.00 0.00 C ATOM 951 O VAL B 15 8.219 7.261 -4.392 1.00 0.00 O ATOM 952 CB VAL B 15 5.427 5.986 -3.952 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.670 5.249 -2.645 1.00 0.00 C ATOM 954 CG2 VAL B 15 3.960 5.914 -4.326 1.00 0.00 C ATOM 0 H VAL B 15 6.094 7.728 -5.914 1.00 0.00 H new ATOM 0 HA VAL B 15 5.304 7.930 -3.073 1.00 0.00 H new ATOM 0 HB VAL B 15 6.008 5.502 -4.737 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.329 4.218 -2.740 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.735 5.259 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.121 5.741 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.652 4.870 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.366 6.422 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.806 6.397 -5.291 1.00 0.00 H new ATOM 964 N ARG B 16 7.724 7.767 -2.276 1.00 0.00 N ATOM 965 CA ARG B 16 9.116 7.853 -1.885 1.00 0.00 C ATOM 966 C ARG B 16 9.445 6.972 -0.694 1.00 0.00 C ATOM 967 O ARG B 16 8.673 6.874 0.249 1.00 0.00 O ATOM 968 CB ARG B 16 9.471 9.299 -1.538 1.00 0.00 C ATOM 969 CG ARG B 16 9.308 10.267 -2.694 1.00 0.00 C ATOM 970 CD ARG B 16 9.839 11.643 -2.340 1.00 0.00 C ATOM 971 NE ARG B 16 9.665 12.595 -3.434 1.00 0.00 N ATOM 972 CZ ARG B 16 10.672 13.121 -4.132 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.931 12.792 -3.849 1.00 0.00 N ATOM 974 NH2 ARG B 16 10.420 13.979 -5.116 1.00 0.00 N ATOM 0 H ARG B 16 7.058 7.941 -1.523 1.00 0.00 H new ATOM 0 HA ARG B 16 9.702 7.503 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.843 9.628 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.503 9.336 -1.189 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.836 9.885 -3.568 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.255 10.340 -2.964 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.325 12.013 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.897 11.570 -2.088 1.00 0.00 H new ATOM 0 HE ARG B 16 8.715 12.875 -3.679 1.00 0.00 H new ATOM 0 HH11 ARG B 16 12.129 12.134 -3.095 1.00 0.00 H new ATOM 0 HH12 ARG B 16 12.697 13.198 -4.386 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.457 14.234 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG B 16 11.189 14.382 -5.651 1.00 0.00 H new ATOM 988 N GLN B 17 10.585 6.314 -0.757 1.00 0.00 N ATOM 989 CA GLN B 17 11.055 5.505 0.353 1.00 0.00 C ATOM 990 C GLN B 17 12.264 6.213 0.934 1.00 0.00 C ATOM 991 O GLN B 17 13.343 6.184 0.346 1.00 0.00 O ATOM 992 CB GLN B 17 11.401 4.070 -0.078 1.00 0.00 C ATOM 993 CG GLN B 17 11.979 3.948 -1.480 1.00 0.00 C ATOM 994 CD GLN B 17 13.379 3.360 -1.492 1.00 0.00 C ATOM 995 OE1 GLN B 17 14.198 3.740 -0.524 1.00 0.00 O flip ATOM 996 NE2 GLN B 17 13.736 2.595 -2.385 1.00 0.00 N flip ATOM 0 H GLN B 17 11.205 6.323 -1.567 1.00 0.00 H new ATOM 0 HA GLN B 17 10.267 5.402 1.099 1.00 0.00 H new ATOM 0 HB2 GLN B 17 12.116 3.654 0.632 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.500 3.460 -0.017 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.322 3.323 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.000 4.933 -1.946 1.00 0.00 H new ATOM 0 HE21 GLN B 17 13.079 2.322 -3.116 1.00 0.00 H new ATOM 0 HE22 GLN B 17 14.689 2.233 -2.395 1.00 0.00 H new ATOM 1005 N LYS B 18 12.068 6.876 2.067 1.00 0.00 N ATOM 1006 CA LYS B 18 13.121 7.654 2.707 1.00 0.00 C ATOM 1007 C LYS B 18 13.451 8.853 1.824 1.00 0.00 C ATOM 1008 O LYS B 18 14.614 9.178 1.588 1.00 0.00 O ATOM 1009 CB LYS B 18 14.370 6.811 2.996 1.00 0.00 C ATOM 1010 CG LYS B 18 14.497 6.412 4.458 1.00 0.00 C ATOM 1011 CD LYS B 18 14.575 7.638 5.360 1.00 0.00 C ATOM 1012 CE LYS B 18 13.692 7.496 6.592 1.00 0.00 C ATOM 1013 NZ LYS B 18 14.299 6.613 7.626 1.00 0.00 N ATOM 0 H LYS B 18 11.179 6.890 2.566 1.00 0.00 H new ATOM 0 HA LYS B 18 12.762 8.001 3.676 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.344 5.911 2.381 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.256 7.373 2.701 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.643 5.799 4.746 1.00 0.00 H new ATOM 0 HG3 LYS B 18 15.388 5.800 4.594 1.00 0.00 H new ATOM 0 HD2 LYS B 18 15.608 7.795 5.670 1.00 0.00 H new ATOM 0 HD3 LYS B 18 14.274 8.522 4.798 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.510 8.481 7.021 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.723 7.093 6.297 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.661 6.548 8.445 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.449 5.664 7.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 15.211 7.010 7.929 1.00 0.00 H new ATOM 1027 N LYS B 19 12.382 9.481 1.323 1.00 0.00 N ATOM 1028 CA LYS B 19 12.453 10.662 0.457 1.00 0.00 C ATOM 1029 C LYS B 19 12.956 10.335 -0.954 1.00 0.00 C ATOM 1030 O LYS B 19 13.127 11.236 -1.781 1.00 0.00 O ATOM 1031 CB LYS B 19 13.311 11.765 1.090 1.00 0.00 C ATOM 1032 CG LYS B 19 12.546 12.648 2.068 1.00 0.00 C ATOM 1033 CD LYS B 19 12.261 11.932 3.383 1.00 0.00 C ATOM 1034 CE LYS B 19 11.344 12.746 4.284 1.00 0.00 C ATOM 1035 NZ LYS B 19 11.696 14.193 4.275 1.00 0.00 N ATOM 0 H LYS B 19 11.427 9.177 1.511 1.00 0.00 H new ATOM 0 HA LYS B 19 11.431 11.027 0.356 1.00 0.00 H new ATOM 0 HB2 LYS B 19 14.152 11.306 1.609 1.00 0.00 H new ATOM 0 HB3 LYS B 19 13.727 12.389 0.299 1.00 0.00 H new ATOM 0 HG2 LYS B 19 13.121 13.553 2.265 1.00 0.00 H new ATOM 0 HG3 LYS B 19 11.605 12.961 1.614 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.803 10.964 3.178 1.00 0.00 H new ATOM 0 HD3 LYS B 19 13.200 11.737 3.901 1.00 0.00 H new ATOM 0 HE2 LYS B 19 10.311 12.622 3.958 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.405 12.364 5.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 11.217 14.672 5.065 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 12.725 14.301 4.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 11.391 14.619 3.376 1.00 0.00 H new ATOM 1049 N GLN B 20 13.150 9.054 -1.244 1.00 0.00 N ATOM 1050 CA GLN B 20 13.619 8.626 -2.560 1.00 0.00 C ATOM 1051 C GLN B 20 12.444 8.576 -3.536 1.00 0.00 C ATOM 1052 O GLN B 20 11.520 7.792 -3.347 1.00 0.00 O ATOM 1053 CB GLN B 20 14.294 7.259 -2.450 1.00 0.00 C ATOM 1054 CG GLN B 20 14.846 6.728 -3.760 1.00 0.00 C ATOM 1055 CD GLN B 20 16.059 5.844 -3.554 1.00 0.00 C ATOM 1056 OE1 GLN B 20 15.827 4.577 -3.243 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 17.196 6.298 -3.653 1.00 0.00 N flip ATOM 0 H GLN B 20 12.990 8.291 -0.586 1.00 0.00 H new ATOM 0 HA GLN B 20 14.350 9.341 -2.937 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.107 7.325 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.574 6.542 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.070 6.163 -4.277 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.114 7.565 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.334 7.279 -3.894 1.00 0.00 H new ATOM 0 HE22 GLN B 20 18.002 5.694 -3.494 1.00 0.00 H new ATOM 1066 N ASP B 21 12.498 9.402 -4.578 1.00 0.00 N ATOM 1067 CA ASP B 21 11.413 9.493 -5.563 1.00 0.00 C ATOM 1068 C ASP B 21 11.176 8.180 -6.299 1.00 0.00 C ATOM 1069 O ASP B 21 12.114 7.439 -6.598 1.00 0.00 O ATOM 1070 CB ASP B 21 11.694 10.611 -6.583 1.00 0.00 C ATOM 1071 CG ASP B 21 12.466 10.137 -7.806 1.00 0.00 C ATOM 1072 OD1 ASP B 21 11.830 9.703 -8.789 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.713 10.215 -7.802 1.00 0.00 O ATOM 0 H ASP B 21 13.285 10.023 -4.766 1.00 0.00 H new ATOM 0 HA ASP B 21 10.508 9.726 -5.002 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.747 11.044 -6.906 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.257 11.406 -6.093 1.00 0.00 H new ATOM 1078 N GLY B 22 9.906 7.887 -6.556 1.00 0.00 N ATOM 1079 CA GLY B 22 9.552 6.693 -7.277 1.00 0.00 C ATOM 1080 C GLY B 22 8.061 6.555 -7.476 1.00 0.00 C ATOM 1081 O GLY B 22 7.285 7.432 -7.093 1.00 0.00 O ATOM 0 H GLY B 22 9.114 8.464 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.045 6.700 -8.249 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.925 5.823 -6.737 1.00 0.00 H new ATOM 1085 N ALA B 23 7.667 5.468 -8.102 1.00 0.00 N ATOM 1086 CA ALA B 23 6.273 5.174 -8.350 1.00 0.00 C ATOM 1087 C ALA B 23 5.970 3.772 -7.859 1.00 0.00 C ATOM 1088 O ALA B 23 6.796 2.868 -8.006 1.00 0.00 O ATOM 1089 CB ALA B 23 5.957 5.312 -9.827 1.00 0.00 C ATOM 0 H ALA B 23 8.309 4.759 -8.456 1.00 0.00 H new ATOM 0 HA ALA B 23 5.647 5.885 -7.811 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.904 5.087 -9.996 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.167 6.332 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.573 4.616 -10.397 1.00 0.00 H new ATOM 1095 N LEU B 24 4.794 3.584 -7.294 1.00 0.00 N ATOM 1096 CA LEU B 24 4.420 2.292 -6.751 1.00 0.00 C ATOM 1097 C LEU B 24 3.476 1.584 -7.725 1.00 0.00 C ATOM 1098 O LEU B 24 2.436 2.120 -8.093 1.00 0.00 O ATOM 1099 CB LEU B 24 3.750 2.501 -5.389 1.00 0.00 C ATOM 1100 CG LEU B 24 3.958 1.395 -4.351 1.00 0.00 C ATOM 1101 CD1 LEU B 24 2.878 1.455 -3.283 1.00 0.00 C ATOM 1102 CD2 LEU B 24 3.997 0.022 -4.993 1.00 0.00 C ATOM 0 H LEU B 24 4.082 4.308 -7.199 1.00 0.00 H new ATOM 0 HA LEU B 24 5.302 1.667 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.116 3.438 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.679 2.621 -5.550 1.00 0.00 H new ATOM 0 HG LEU B 24 4.926 1.565 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.042 0.661 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.916 2.422 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.900 1.325 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.146 -0.735 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.055 -0.165 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU B 24 4.818 -0.022 -5.709 1.00 0.00 H new ATOM 1114 N TYR B 25 3.848 0.390 -8.151 1.00 0.00 N ATOM 1115 CA TYR B 25 3.040 -0.368 -9.090 1.00 0.00 C ATOM 1116 C TYR B 25 2.597 -1.702 -8.492 1.00 0.00 C ATOM 1117 O TYR B 25 3.405 -2.612 -8.296 1.00 0.00 O ATOM 1118 CB TYR B 25 3.819 -0.603 -10.387 1.00 0.00 C ATOM 1119 CG TYR B 25 4.245 0.673 -11.077 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.323 1.451 -11.764 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.566 1.105 -11.035 1.00 0.00 C ATOM 1122 CE1 TYR B 25 3.702 2.623 -12.391 1.00 0.00 C ATOM 1123 CE2 TYR B 25 5.953 2.276 -11.662 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.017 3.031 -12.337 1.00 0.00 C ATOM 1125 OH TYR B 25 5.395 4.204 -12.958 1.00 0.00 O ATOM 0 H TYR B 25 4.707 -0.077 -7.861 1.00 0.00 H new ATOM 0 HA TYR B 25 2.145 0.215 -9.310 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.704 -1.200 -10.166 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.203 -1.187 -11.070 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.291 1.135 -11.809 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.301 0.518 -10.505 1.00 0.00 H new ATOM 0 HE1 TYR B 25 2.971 3.216 -12.921 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.983 2.597 -11.623 1.00 0.00 H new ATOM 0 HH TYR B 25 6.355 4.350 -12.825 1.00 0.00 H new ATOM 1135 N LEU B 26 1.310 -1.801 -8.199 1.00 0.00 N ATOM 1136 CA LEU B 26 0.732 -3.016 -7.643 1.00 0.00 C ATOM 1137 C LEU B 26 0.362 -3.957 -8.773 1.00 0.00 C ATOM 1138 O LEU B 26 -0.511 -3.640 -9.572 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.525 -2.689 -6.834 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.285 -1.955 -5.518 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.579 -1.372 -4.987 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.305 -2.896 -4.496 1.00 0.00 C ATOM 0 H LEU B 26 0.639 -1.046 -8.339 1.00 0.00 H new ATOM 0 HA LEU B 26 1.465 -3.485 -6.987 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.187 -2.083 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.051 -3.619 -6.621 1.00 0.00 H new ATOM 0 HG LEU B 26 0.416 -1.142 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.386 -0.853 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.986 -0.669 -5.713 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.297 -2.174 -4.817 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.472 -2.360 -3.561 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.384 -3.723 -4.322 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.254 -3.285 -4.865 1.00 0.00 H new ATOM 1154 N MET B 27 1.017 -5.103 -8.854 1.00 0.00 N ATOM 1155 CA MET B 27 0.725 -6.049 -9.921 1.00 0.00 C ATOM 1156 C MET B 27 -0.136 -7.200 -9.412 1.00 0.00 C ATOM 1157 O MET B 27 -0.722 -7.118 -8.332 1.00 0.00 O ATOM 1158 CB MET B 27 2.008 -6.577 -10.570 1.00 0.00 C ATOM 1159 CG MET B 27 3.070 -5.515 -10.800 1.00 0.00 C ATOM 1160 SD MET B 27 4.708 -6.223 -11.069 1.00 0.00 S ATOM 1161 CE MET B 27 5.621 -4.770 -11.581 1.00 0.00 C ATOM 0 H MET B 27 1.745 -5.400 -8.204 1.00 0.00 H new ATOM 0 HA MET B 27 0.162 -5.514 -10.686 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.425 -7.362 -9.939 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.756 -7.037 -11.526 1.00 0.00 H new ATOM 0 HG2 MET B 27 2.793 -4.910 -11.663 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.103 -4.847 -9.940 1.00 0.00 H new ATOM 0 HE1 MET B 27 6.660 -4.864 -11.266 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.577 -4.677 -12.666 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.182 -3.884 -11.123 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.205 -8.263 -10.200 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.024 -9.423 -9.878 1.00 0.00 C ATOM 1173 C ALA B 28 -0.547 -10.199 -8.645 1.00 0.00 C ATOM 1174 O ALA B 28 -1.332 -10.441 -7.731 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.091 -10.346 -11.087 1.00 0.00 C ATOM 0 H ALA B 28 0.304 -8.346 -11.080 1.00 0.00 H new ATOM 0 HA ALA B 28 -2.015 -9.046 -9.626 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.704 -11.215 -10.848 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.532 -9.812 -11.929 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.085 -10.673 -11.351 1.00 0.00 H new ATOM 1181 N GLU B 29 0.726 -10.584 -8.600 1.00 0.00 N ATOM 1182 CA GLU B 29 1.221 -11.368 -7.465 1.00 0.00 C ATOM 1183 C GLU B 29 2.183 -10.590 -6.577 1.00 0.00 C ATOM 1184 O GLU B 29 2.489 -11.026 -5.463 1.00 0.00 O ATOM 1185 CB GLU B 29 1.946 -12.627 -7.944 1.00 0.00 C ATOM 1186 CG GLU B 29 1.452 -13.177 -9.266 1.00 0.00 C ATOM 1187 CD GLU B 29 2.273 -12.660 -10.425 1.00 0.00 C ATOM 1188 OE1 GLU B 29 3.450 -13.057 -10.556 1.00 0.00 O ATOM 1189 OE2 GLU B 29 1.757 -11.845 -11.208 1.00 0.00 O ATOM 0 H GLU B 29 1.421 -10.374 -9.316 1.00 0.00 H new ATOM 0 HA GLU B 29 0.336 -11.625 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.010 -12.406 -8.033 1.00 0.00 H new ATOM 0 HB3 GLU B 29 1.844 -13.401 -7.183 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.494 -14.266 -9.246 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.407 -12.901 -9.408 1.00 0.00 H new ATOM 1196 N ARG B 30 2.668 -9.448 -7.038 1.00 0.00 N ATOM 1197 CA ARG B 30 3.627 -8.704 -6.240 1.00 0.00 C ATOM 1198 C ARG B 30 3.471 -7.201 -6.372 1.00 0.00 C ATOM 1199 O ARG B 30 2.880 -6.692 -7.324 1.00 0.00 O ATOM 1200 CB ARG B 30 5.051 -9.111 -6.629 1.00 0.00 C ATOM 1201 CG ARG B 30 5.564 -8.447 -7.897 1.00 0.00 C ATOM 1202 CD ARG B 30 6.584 -9.321 -8.606 1.00 0.00 C ATOM 1203 NE ARG B 30 5.945 -10.364 -9.406 1.00 0.00 N ATOM 1204 CZ ARG B 30 5.997 -10.413 -10.736 1.00 0.00 C ATOM 1205 NH1 ARG B 30 6.687 -9.505 -11.412 1.00 0.00 N ATOM 1206 NH2 ARG B 30 5.359 -11.365 -11.400 1.00 0.00 N ATOM 0 H ARG B 30 2.422 -9.026 -7.934 1.00 0.00 H new ATOM 0 HA ARG B 30 3.432 -8.953 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG B 30 5.724 -8.868 -5.807 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.085 -10.193 -6.759 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.728 -8.244 -8.567 1.00 0.00 H new ATOM 0 HG3 ARG B 30 6.015 -7.486 -7.650 1.00 0.00 H new ATOM 0 HD2 ARG B 30 7.209 -8.701 -9.249 1.00 0.00 H new ATOM 0 HD3 ARG B 30 7.243 -9.781 -7.869 1.00 0.00 H new ATOM 0 HE ARG B 30 5.430 -11.096 -8.918 1.00 0.00 H new ATOM 0 HH11 ARG B 30 7.181 -8.765 -10.914 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.724 -9.547 -12.430 1.00 0.00 H new ATOM 0 HH21 ARG B 30 4.822 -12.069 -10.893 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.404 -11.395 -12.419 1.00 0.00 H new ATOM 1220 N ILE B 31 4.021 -6.510 -5.390 1.00 0.00 N ATOM 1221 CA ILE B 31 4.015 -5.066 -5.344 1.00 0.00 C ATOM 1222 C ILE B 31 5.423 -4.574 -5.665 1.00 0.00 C ATOM 1223 O ILE B 31 6.389 -4.950 -4.996 1.00 0.00 O ATOM 1224 CB ILE B 31 3.557 -4.545 -3.955 1.00 0.00 C ATOM 1225 CG1 ILE B 31 3.897 -3.065 -3.785 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.179 -5.365 -2.833 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.395 -2.471 -2.486 1.00 0.00 C ATOM 0 H ILE B 31 4.489 -6.944 -4.595 1.00 0.00 H new ATOM 0 HA ILE B 31 3.305 -4.682 -6.077 1.00 0.00 H new ATOM 0 HB ILE B 31 2.474 -4.655 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.979 -2.941 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.472 -2.506 -4.618 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.842 -4.979 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.876 -6.407 -2.933 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.265 -5.296 -2.891 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.673 -1.418 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.310 -2.562 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.840 -3.005 -1.646 1.00 0.00 H new ATOM 1239 N ALA B 32 5.550 -3.773 -6.707 1.00 0.00 N ATOM 1240 CA ALA B 32 6.851 -3.274 -7.110 1.00 0.00 C ATOM 1241 C ALA B 32 6.893 -1.757 -7.105 1.00 0.00 C ATOM 1242 O ALA B 32 5.878 -1.094 -7.290 1.00 0.00 O ATOM 1243 CB ALA B 32 7.220 -3.816 -8.480 1.00 0.00 C ATOM 0 H ALA B 32 4.773 -3.456 -7.286 1.00 0.00 H new ATOM 0 HA ALA B 32 7.584 -3.624 -6.383 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.199 -3.434 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.252 -4.905 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.475 -3.499 -9.210 1.00 0.00 H new ATOM 1249 N TRP B 33 8.076 -1.218 -6.896 1.00 0.00 N ATOM 1250 CA TRP B 33 8.273 0.218 -6.860 1.00 0.00 C ATOM 1251 C TRP B 33 9.539 0.579 -7.629 1.00 0.00 C ATOM 1252 O TRP B 33 10.570 -0.090 -7.501 1.00 0.00 O ATOM 1253 CB TRP B 33 8.351 0.689 -5.399 1.00 0.00 C ATOM 1254 CG TRP B 33 8.676 2.145 -5.217 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.796 3.177 -5.048 1.00 0.00 C ATOM 1256 CD2 TRP B 33 9.982 2.724 -5.161 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.480 4.359 -4.900 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.823 4.105 -4.964 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.269 2.204 -5.261 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 10.906 4.972 -4.866 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.344 3.063 -5.166 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.157 4.435 -4.969 1.00 0.00 C ATOM 0 H TRP B 33 8.927 -1.760 -6.747 1.00 0.00 H new ATOM 0 HA TRP B 33 7.432 0.723 -7.335 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.397 0.482 -4.915 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.106 0.096 -4.882 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.721 3.078 -5.033 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.056 5.277 -4.764 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.423 1.146 -5.410 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.763 6.032 -4.714 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.347 2.670 -5.245 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.019 5.082 -4.897 1.00 0.00 H new ATOM 1273 N ALA B 34 9.446 1.614 -8.444 1.00 0.00 N ATOM 1274 CA ALA B 34 10.573 2.075 -9.236 1.00 0.00 C ATOM 1275 C ALA B 34 10.571 3.590 -9.295 1.00 0.00 C ATOM 1276 O ALA B 34 9.517 4.194 -9.467 1.00 0.00 O ATOM 1277 CB ALA B 34 10.519 1.495 -10.640 1.00 0.00 C ATOM 0 H ALA B 34 8.592 2.156 -8.576 1.00 0.00 H new ATOM 0 HA ALA B 34 11.494 1.735 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.373 1.854 -11.215 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.550 0.407 -10.586 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.596 1.808 -11.128 1.00 0.00 H new ATOM 1283 N PRO B 35 11.744 4.217 -9.139 1.00 0.00 N ATOM 1284 CA PRO B 35 11.877 5.679 -9.169 1.00 0.00 C ATOM 1285 C PRO B 35 11.224 6.309 -10.405 1.00 0.00 C ATOM 1286 O PRO B 35 11.277 5.748 -11.504 1.00 0.00 O ATOM 1287 CB PRO B 35 13.390 5.893 -9.178 1.00 0.00 C ATOM 1288 CG PRO B 35 13.948 4.678 -8.523 1.00 0.00 C ATOM 1289 CD PRO B 35 13.037 3.549 -8.910 1.00 0.00 C ATOM 0 HA PRO B 35 11.373 6.152 -8.326 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.768 6.004 -10.194 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.665 6.797 -8.635 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.969 4.488 -8.856 1.00 0.00 H new ATOM 0 HG3 PRO B 35 13.983 4.799 -7.440 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.389 3.037 -9.806 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.968 2.800 -8.121 1.00 0.00 H new ATOM 1411 N ILE B 43 12.419 -2.069 -6.109 1.00 0.00 N ATOM 1412 CA ILE B 43 11.629 -2.726 -5.077 1.00 0.00 C ATOM 1413 C ILE B 43 10.624 -3.702 -5.689 1.00 0.00 C ATOM 1414 O ILE B 43 9.856 -3.338 -6.578 1.00 0.00 O ATOM 1415 CB ILE B 43 10.897 -1.669 -4.210 1.00 0.00 C ATOM 1416 CG1 ILE B 43 11.842 -1.137 -3.128 1.00 0.00 C ATOM 1417 CG2 ILE B 43 9.631 -2.235 -3.583 1.00 0.00 C ATOM 1418 CD1 ILE B 43 11.296 0.052 -2.369 1.00 0.00 C ATOM 0 HA ILE B 43 12.307 -3.297 -4.442 1.00 0.00 H new ATOM 0 HB ILE B 43 10.598 -0.847 -4.861 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.058 -1.939 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE B 43 12.788 -0.857 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.146 -1.465 -2.983 1.00 0.00 H new ATOM 0 HG22 ILE B 43 8.951 -2.564 -4.369 1.00 0.00 H new ATOM 0 HG23 ILE B 43 9.887 -3.082 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE B 43 12.022 0.371 -1.621 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.107 0.871 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE B 43 10.365 -0.228 -1.875 1.00 0.00 H new ATOM 1430 N SER B 44 10.670 -4.953 -5.234 1.00 0.00 N ATOM 1431 CA SER B 44 9.762 -5.989 -5.713 1.00 0.00 C ATOM 1432 C SER B 44 9.472 -6.997 -4.597 1.00 0.00 C ATOM 1433 O SER B 44 10.331 -7.809 -4.254 1.00 0.00 O ATOM 1434 CB SER B 44 10.364 -6.702 -6.930 1.00 0.00 C ATOM 1435 OG SER B 44 9.517 -7.744 -7.393 1.00 0.00 O ATOM 0 H SER B 44 11.333 -5.274 -4.528 1.00 0.00 H new ATOM 0 HA SER B 44 8.824 -5.520 -6.012 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.528 -5.981 -7.731 1.00 0.00 H new ATOM 0 HB3 SER B 44 11.339 -7.113 -6.667 1.00 0.00 H new ATOM 0 HG SER B 44 9.927 -8.178 -8.170 1.00 0.00 H new ATOM 1441 N HIS B 45 8.273 -6.940 -4.029 1.00 0.00 N ATOM 1442 CA HIS B 45 7.889 -7.857 -2.951 1.00 0.00 C ATOM 1443 C HIS B 45 6.624 -8.603 -3.325 1.00 0.00 C ATOM 1444 O HIS B 45 5.645 -7.998 -3.758 1.00 0.00 O ATOM 1445 CB HIS B 45 7.663 -7.099 -1.633 1.00 0.00 C ATOM 1446 CG HIS B 45 8.756 -6.137 -1.277 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.802 -6.426 -0.428 1.00 0.00 N ATOM 1448 CD2 HIS B 45 8.950 -4.860 -1.683 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.581 -5.341 -0.349 1.00 0.00 C ATOM 1450 NE2 HIS B 45 10.109 -4.362 -1.096 1.00 0.00 N ATOM 0 H HIS B 45 7.549 -6.272 -4.293 1.00 0.00 H new ATOM 0 HA HIS B 45 8.705 -8.566 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.722 -6.553 -1.699 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.555 -7.823 -0.825 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.306 -4.314 -2.357 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.479 -5.276 0.248 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.510 -3.432 -1.218 1.00 0.00 H new ATOM 1458 N MET B 46 6.641 -9.915 -3.171 1.00 0.00 N ATOM 1459 CA MET B 46 5.478 -10.719 -3.490 1.00 0.00 C ATOM 1460 C MET B 46 4.505 -10.667 -2.327 1.00 0.00 C ATOM 1461 O MET B 46 4.919 -10.637 -1.169 1.00 0.00 O ATOM 1462 CB MET B 46 5.870 -12.172 -3.786 1.00 0.00 C ATOM 1463 CG MET B 46 6.756 -12.335 -5.010 1.00 0.00 C ATOM 1464 SD MET B 46 5.816 -12.434 -6.548 1.00 0.00 S ATOM 1465 CE MET B 46 4.987 -14.008 -6.337 1.00 0.00 C ATOM 0 H MET B 46 7.444 -10.443 -2.829 1.00 0.00 H new ATOM 0 HA MET B 46 5.008 -10.314 -4.386 1.00 0.00 H new ATOM 0 HB2 MET B 46 6.387 -12.582 -2.918 1.00 0.00 H new ATOM 0 HB3 MET B 46 4.964 -12.761 -3.925 1.00 0.00 H new ATOM 0 HG2 MET B 46 7.448 -11.495 -5.066 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.358 -13.237 -4.899 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.758 -14.432 -7.314 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.636 -14.691 -5.789 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.062 -13.860 -5.779 1.00 0.00 H new ATOM 1475 N TYR B 47 3.217 -10.636 -2.633 1.00 0.00 N ATOM 1476 CA TYR B 47 2.187 -10.588 -1.594 1.00 0.00 C ATOM 1477 C TYR B 47 2.324 -11.786 -0.657 1.00 0.00 C ATOM 1478 O TYR B 47 1.970 -11.717 0.516 1.00 0.00 O ATOM 1479 CB TYR B 47 0.785 -10.560 -2.215 1.00 0.00 C ATOM 1480 CG TYR B 47 0.553 -9.405 -3.169 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.130 -8.160 -2.947 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.241 -9.564 -4.298 1.00 0.00 C ATOM 1483 CE1 TYR B 47 0.923 -7.112 -3.822 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.454 -8.518 -5.176 1.00 0.00 C ATOM 1485 CZ TYR B 47 0.130 -7.294 -4.933 1.00 0.00 C ATOM 1486 OH TYR B 47 -0.069 -6.254 -5.810 1.00 0.00 O ATOM 0 H TYR B 47 2.856 -10.643 -3.587 1.00 0.00 H new ATOM 0 HA TYR B 47 2.325 -9.672 -1.020 1.00 0.00 H new ATOM 0 HB2 TYR B 47 0.616 -11.496 -2.747 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.046 -10.511 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR B 47 1.750 -8.010 -2.076 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.700 -10.522 -4.493 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.382 -6.152 -3.636 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.075 -8.659 -6.048 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.162 -6.606 -6.720 1.00 0.00 H new ATOM 1496 N ALA B 48 2.856 -12.876 -1.197 1.00 0.00 N ATOM 1497 CA ALA B 48 3.074 -14.102 -0.444 1.00 0.00 C ATOM 1498 C ALA B 48 4.049 -13.920 0.720 1.00 0.00 C ATOM 1499 O ALA B 48 3.984 -14.668 1.695 1.00 0.00 O ATOM 1500 CB ALA B 48 3.589 -15.188 -1.378 1.00 0.00 C ATOM 0 H ALA B 48 3.149 -12.933 -2.172 1.00 0.00 H new ATOM 0 HA ALA B 48 2.115 -14.390 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.752 -16.106 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.855 -15.370 -2.163 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.529 -14.866 -1.827 1.00 0.00 H new ATOM 1506 N ASP B 49 4.941 -12.934 0.618 1.00 0.00 N ATOM 1507 CA ASP B 49 5.945 -12.686 1.648 1.00 0.00 C ATOM 1508 C ASP B 49 5.542 -11.562 2.596 1.00 0.00 C ATOM 1509 O ASP B 49 6.199 -11.342 3.620 1.00 0.00 O ATOM 1510 CB ASP B 49 7.282 -12.312 1.022 1.00 0.00 C ATOM 1511 CG ASP B 49 7.565 -13.014 -0.294 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.758 -14.251 -0.285 1.00 0.00 O ATOM 1513 OD2 ASP B 49 7.599 -12.329 -1.336 1.00 0.00 O ATOM 0 H ASP B 49 4.987 -12.292 -0.173 1.00 0.00 H new ATOM 0 HA ASP B 49 6.030 -13.614 2.213 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.307 -11.234 0.860 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.080 -12.547 1.726 1.00 0.00 H new ATOM 1518 N ILE B 50 4.484 -10.840 2.278 1.00 0.00 N ATOM 1519 CA ILE B 50 4.070 -9.746 3.136 1.00 0.00 C ATOM 1520 C ILE B 50 3.177 -10.249 4.255 1.00 0.00 C ATOM 1521 O ILE B 50 2.034 -10.641 4.037 1.00 0.00 O ATOM 1522 CB ILE B 50 3.366 -8.621 2.362 1.00 0.00 C ATOM 1523 CG1 ILE B 50 3.991 -8.465 0.974 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.468 -7.319 3.145 1.00 0.00 C ATOM 1525 CD1 ILE B 50 3.660 -7.152 0.306 1.00 0.00 C ATOM 0 H ILE B 50 3.906 -10.986 1.450 1.00 0.00 H new ATOM 0 HA ILE B 50 4.979 -9.324 3.563 1.00 0.00 H new ATOM 0 HB ILE B 50 2.313 -8.874 2.237 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.074 -8.557 1.060 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.651 -9.282 0.338 1.00 0.00 H new ATOM 0 HG21 ILE B 50 2.968 -6.523 2.594 1.00 0.00 H new ATOM 0 HG22 ILE B 50 2.992 -7.441 4.118 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.517 -7.060 3.285 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.137 -7.112 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.580 -7.066 0.188 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.024 -6.329 0.921 1.00 0.00 H new ATOM 1537 N LYS B 51 3.723 -10.228 5.460 1.00 0.00 N ATOM 1538 CA LYS B 51 3.017 -10.692 6.640 1.00 0.00 C ATOM 1539 C LYS B 51 1.904 -9.723 7.038 1.00 0.00 C ATOM 1540 O LYS B 51 0.795 -10.139 7.387 1.00 0.00 O ATOM 1541 CB LYS B 51 4.013 -10.855 7.792 1.00 0.00 C ATOM 1542 CG LYS B 51 3.370 -10.940 9.168 1.00 0.00 C ATOM 1543 CD LYS B 51 4.275 -11.647 10.163 1.00 0.00 C ATOM 1544 CE LYS B 51 5.609 -10.939 10.322 1.00 0.00 C ATOM 1545 NZ LYS B 51 6.534 -11.707 11.194 1.00 0.00 N ATOM 0 H LYS B 51 4.667 -9.889 5.646 1.00 0.00 H new ATOM 0 HA LYS B 51 2.554 -11.652 6.414 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.602 -11.756 7.623 1.00 0.00 H new ATOM 0 HB3 LYS B 51 4.706 -10.014 7.779 1.00 0.00 H new ATOM 0 HG2 LYS B 51 3.145 -9.936 9.528 1.00 0.00 H new ATOM 0 HG3 LYS B 51 2.422 -11.472 9.095 1.00 0.00 H new ATOM 0 HD2 LYS B 51 3.776 -11.702 11.131 1.00 0.00 H new ATOM 0 HD3 LYS B 51 4.446 -12.672 9.833 1.00 0.00 H new ATOM 0 HE2 LYS B 51 6.065 -10.797 9.342 1.00 0.00 H new ATOM 0 HE3 LYS B 51 5.447 -9.948 10.745 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 7.435 -11.195 11.281 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 6.109 -11.821 12.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 6.707 -12.644 10.777 1.00 0.00 H new ATOM 1559 N CYS B 52 2.215 -8.435 6.962 1.00 0.00 N ATOM 1560 CA CYS B 52 1.292 -7.366 7.332 1.00 0.00 C ATOM 1561 C CYS B 52 1.727 -6.082 6.639 1.00 0.00 C ATOM 1562 O CYS B 52 2.803 -6.026 6.046 1.00 0.00 O ATOM 1563 CB CYS B 52 1.308 -7.143 8.851 1.00 0.00 C ATOM 1564 SG CYS B 52 0.678 -8.532 9.823 1.00 0.00 S ATOM 0 H CYS B 52 3.122 -8.099 6.639 1.00 0.00 H new ATOM 0 HA CYS B 52 0.283 -7.645 7.027 1.00 0.00 H new ATOM 0 HB2 CYS B 52 2.331 -6.932 9.163 1.00 0.00 H new ATOM 0 HB3 CYS B 52 0.716 -6.257 9.081 1.00 0.00 H new ATOM 0 HG CYS B 52 0.477 -9.552 9.043 1.00 0.00 H new ATOM 1570 N GLN B 53 0.903 -5.062 6.714 1.00 0.00 N ATOM 1571 CA GLN B 53 1.224 -3.773 6.129 1.00 0.00 C ATOM 1572 C GLN B 53 0.757 -2.720 7.101 1.00 0.00 C ATOM 1573 O GLN B 53 0.011 -3.032 7.999 1.00 0.00 O ATOM 1574 CB GLN B 53 0.566 -3.597 4.756 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.811 -2.967 4.810 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.586 -3.142 3.527 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.564 -2.284 2.652 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -2.275 -4.261 3.411 1.00 0.00 N ATOM 0 H GLN B 53 -0.004 -5.098 7.179 1.00 0.00 H new ATOM 0 HA GLN B 53 2.297 -3.690 5.959 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.212 -2.981 4.131 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.490 -4.571 4.273 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.375 -3.407 5.632 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.710 -1.903 5.026 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.264 -4.947 4.165 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.819 -4.440 2.567 1.00 0.00 H new ATOM 1587 N LYS B 54 1.227 -1.505 6.989 1.00 0.00 N ATOM 1588 CA LYS B 54 0.785 -0.473 7.892 1.00 0.00 C ATOM 1589 C LYS B 54 0.667 0.840 7.143 1.00 0.00 C ATOM 1590 O LYS B 54 1.245 1.000 6.074 1.00 0.00 O ATOM 1591 CB LYS B 54 1.727 -0.339 9.079 1.00 0.00 C ATOM 1592 CG LYS B 54 2.264 -1.645 9.648 1.00 0.00 C ATOM 1593 CD LYS B 54 3.025 -1.410 10.946 1.00 0.00 C ATOM 1594 CE LYS B 54 3.391 -2.720 11.626 1.00 0.00 C ATOM 1595 NZ LYS B 54 3.663 -2.535 13.078 1.00 0.00 N ATOM 0 H LYS B 54 1.908 -1.207 6.290 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.194 -0.747 8.285 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.573 0.280 8.780 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.206 0.195 9.874 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.438 -2.333 9.827 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.921 -2.119 8.919 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.932 -0.841 10.739 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.417 -0.807 11.620 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.579 -3.435 11.497 1.00 0.00 H new ATOM 0 HE3 LYS B 54 4.270 -3.146 11.143 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.674 -3.462 13.550 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 4.586 -2.072 13.202 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.919 -1.942 13.498 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.076 1.777 7.699 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.303 3.057 7.042 1.00 0.00 C ATOM 1611 C ILE B 55 -0.109 4.233 7.995 1.00 0.00 C ATOM 1612 O ILE B 55 -0.666 4.242 9.083 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.743 3.083 6.495 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.733 2.909 7.654 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.922 1.976 5.473 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.980 2.141 7.308 1.00 0.00 C ATOM 0 H ILE B 55 -0.535 1.679 8.605 1.00 0.00 H new ATOM 0 HA ILE B 55 0.425 3.159 6.237 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.934 4.040 6.009 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.226 2.400 8.474 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.020 3.895 8.020 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.942 1.997 5.088 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.221 2.123 4.651 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.732 1.012 5.944 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.619 2.069 8.188 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.516 2.657 6.512 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.709 1.140 6.973 1.00 0.00 H new ATOM 1628 N SER B 56 0.690 5.218 7.609 1.00 0.00 N ATOM 1629 CA SER B 56 0.884 6.371 8.466 1.00 0.00 C ATOM 1630 C SER B 56 -0.335 7.266 8.323 1.00 0.00 C ATOM 1631 O SER B 56 -0.611 7.806 7.231 1.00 0.00 O ATOM 1632 CB SER B 56 2.189 7.115 8.159 1.00 0.00 C ATOM 1633 OG SER B 56 2.076 7.934 7.018 1.00 0.00 O ATOM 0 H SER B 56 1.203 5.241 6.727 1.00 0.00 H new ATOM 0 HA SER B 56 0.984 6.045 9.501 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.468 7.726 9.017 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.991 6.392 8.008 1.00 0.00 H new ATOM 0 HG SER B 56 2.298 8.859 7.256 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.090 7.372 9.431 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.340 8.125 9.520 1.00 0.00 C ATOM 1641 C PRO B 57 -2.151 9.627 9.650 1.00 0.00 C ATOM 1642 O PRO B 57 -1.036 10.120 9.858 1.00 0.00 O ATOM 1643 CB PRO B 57 -2.979 7.573 10.792 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.823 7.215 11.658 1.00 0.00 C ATOM 1645 CD PRO B 57 -0.740 6.753 10.729 1.00 0.00 C ATOM 0 HA PRO B 57 -2.933 8.007 8.613 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.619 8.315 11.270 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.601 6.704 10.580 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.494 8.073 12.245 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.093 6.430 12.364 1.00 0.00 H new ATOM 0 HD2 PRO B 57 0.243 7.075 11.072 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.713 5.666 10.658 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.260 10.341 9.484 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.290 11.788 9.598 1.00 0.00 C ATOM 1655 C GLU B 58 -2.687 12.223 10.928 1.00 0.00 C ATOM 1656 O GLU B 58 -2.801 11.528 11.937 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.729 12.297 9.471 1.00 0.00 C ATOM 1658 CG GLU B 58 -5.234 12.366 8.034 1.00 0.00 C ATOM 1659 CD GLU B 58 -5.023 11.075 7.261 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -5.340 9.989 7.795 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -4.514 11.136 6.128 1.00 0.00 O ATOM 0 H GLU B 58 -4.166 9.926 9.266 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.697 12.218 8.791 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.387 11.645 10.046 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.794 13.290 9.917 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -6.297 12.608 8.041 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -4.725 13.179 7.516 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.062 13.381 10.922 1.00 0.00 N ATOM 1669 CA GLY B 59 -1.402 13.878 12.107 1.00 0.00 C ATOM 1670 C GLY B 59 0.080 13.956 11.849 1.00 0.00 C ATOM 1671 O GLY B 59 0.800 14.742 12.460 1.00 0.00 O ATOM 0 H GLY B 59 -1.998 13.994 10.110 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.790 14.862 12.369 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.602 13.221 12.953 1.00 0.00 H new ATOM 1675 N LYS B 60 0.523 13.118 10.922 1.00 0.00 N ATOM 1676 CA LYS B 60 1.911 13.087 10.505 1.00 0.00 C ATOM 1677 C LYS B 60 2.106 14.134 9.418 1.00 0.00 C ATOM 1678 O LYS B 60 1.129 14.667 8.890 1.00 0.00 O ATOM 1679 CB LYS B 60 2.290 11.699 9.973 1.00 0.00 C ATOM 1680 CG LYS B 60 2.644 10.689 11.057 1.00 0.00 C ATOM 1681 CD LYS B 60 4.047 10.919 11.599 1.00 0.00 C ATOM 1682 CE LYS B 60 4.607 9.664 12.253 1.00 0.00 C ATOM 1683 NZ LYS B 60 5.965 9.879 12.823 1.00 0.00 N ATOM 0 H LYS B 60 -0.071 12.443 10.441 1.00 0.00 H new ATOM 0 HA LYS B 60 2.554 13.303 11.359 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.459 11.308 9.386 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.138 11.801 9.296 1.00 0.00 H new ATOM 0 HG2 LYS B 60 1.923 10.760 11.871 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.570 9.679 10.653 1.00 0.00 H new ATOM 0 HD2 LYS B 60 4.704 11.232 10.788 1.00 0.00 H new ATOM 0 HD3 LYS B 60 4.029 11.731 12.325 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.932 9.337 13.044 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.648 8.861 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 6.386 8.961 13.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.565 10.356 12.120 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.894 10.471 13.675 1.00 0.00 H new ATOM 1697 N ALA B 61 3.346 14.422 9.069 1.00 0.00 N ATOM 1698 CA ALA B 61 3.622 15.419 8.043 1.00 0.00 C ATOM 1699 C ALA B 61 3.459 14.837 6.647 1.00 0.00 C ATOM 1700 O ALA B 61 3.563 15.553 5.653 1.00 0.00 O ATOM 1701 CB ALA B 61 5.020 15.995 8.221 1.00 0.00 C ATOM 0 H ALA B 61 4.174 13.986 9.475 1.00 0.00 H new ATOM 0 HA ALA B 61 2.895 16.224 8.156 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.209 16.738 7.446 1.00 0.00 H new ATOM 0 HB2 ALA B 61 5.098 16.465 9.201 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.756 15.195 8.143 1.00 0.00 H new ATOM 1707 N LYS B 62 3.203 13.538 6.573 1.00 0.00 N ATOM 1708 CA LYS B 62 3.038 12.876 5.292 1.00 0.00 C ATOM 1709 C LYS B 62 2.268 11.566 5.433 1.00 0.00 C ATOM 1710 O LYS B 62 2.458 10.816 6.394 1.00 0.00 O ATOM 1711 CB LYS B 62 4.404 12.626 4.645 1.00 0.00 C ATOM 1712 CG LYS B 62 5.513 12.299 5.636 1.00 0.00 C ATOM 1713 CD LYS B 62 6.723 13.196 5.431 1.00 0.00 C ATOM 1714 CE LYS B 62 7.905 12.738 6.268 1.00 0.00 C ATOM 1715 NZ LYS B 62 7.968 13.420 7.592 1.00 0.00 N ATOM 0 H LYS B 62 3.106 12.926 7.383 1.00 0.00 H new ATOM 0 HA LYS B 62 2.455 13.535 4.648 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.312 11.804 3.935 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.691 13.509 4.075 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.140 12.416 6.653 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.808 11.256 5.523 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.001 13.198 4.377 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.465 14.222 5.694 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.841 11.661 6.421 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.828 12.928 5.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.792 13.072 8.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.056 14.446 7.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 7.100 13.218 8.128 1.00 0.00 H new ATOM 1729 N ILE B 63 1.388 11.318 4.471 1.00 0.00 N ATOM 1730 CA ILE B 63 0.581 10.104 4.434 1.00 0.00 C ATOM 1731 C ILE B 63 1.405 8.996 3.791 1.00 0.00 C ATOM 1732 O ILE B 63 1.900 9.160 2.674 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.725 10.337 3.639 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.684 11.227 4.433 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.392 9.020 3.292 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.424 12.711 4.274 1.00 0.00 C ATOM 0 H ILE B 63 1.213 11.954 3.693 1.00 0.00 H new ATOM 0 HA ILE B 63 0.303 9.819 5.449 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.468 10.843 2.709 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.706 11.012 4.120 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.613 10.968 5.489 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.308 9.212 2.733 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.716 8.419 2.684 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.632 8.481 4.209 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -2.145 13.272 4.868 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -0.415 12.942 4.615 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.524 12.988 3.224 1.00 0.00 H new ATOM 1748 N GLN B 64 1.568 7.870 4.480 1.00 0.00 N ATOM 1749 CA GLN B 64 2.425 6.806 3.949 1.00 0.00 C ATOM 1750 C GLN B 64 1.892 5.393 4.203 1.00 0.00 C ATOM 1751 O GLN B 64 0.908 5.196 4.913 1.00 0.00 O ATOM 1752 CB GLN B 64 3.825 6.923 4.556 1.00 0.00 C ATOM 1753 CG GLN B 64 4.341 8.347 4.700 1.00 0.00 C ATOM 1754 CD GLN B 64 5.669 8.404 5.420 1.00 0.00 C ATOM 1755 OE1 GLN B 64 5.908 9.288 6.242 1.00 0.00 O ATOM 1756 NE2 GLN B 64 6.549 7.470 5.105 1.00 0.00 N ATOM 0 H GLN B 64 1.134 7.670 5.381 1.00 0.00 H new ATOM 0 HA GLN B 64 2.446 6.947 2.868 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.820 6.452 5.539 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.523 6.360 3.936 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.446 8.795 3.712 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.609 8.943 5.244 1.00 0.00 H new ATOM 0 HE21 GLN B 64 6.310 6.755 4.418 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.467 7.464 5.549 1.00 0.00 H new ATOM 1765 N LEU B 65 2.565 4.421 3.577 1.00 0.00 N ATOM 1766 CA LEU B 65 2.245 3.001 3.685 1.00 0.00 C ATOM 1767 C LEU B 65 3.523 2.169 3.890 1.00 0.00 C ATOM 1768 O LEU B 65 4.437 2.247 3.077 1.00 0.00 O ATOM 1769 CB LEU B 65 1.592 2.556 2.387 1.00 0.00 C ATOM 1770 CG LEU B 65 1.195 1.084 2.330 1.00 0.00 C ATOM 1771 CD1 LEU B 65 -0.229 0.887 2.814 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.377 0.538 0.925 1.00 0.00 C ATOM 0 H LEU B 65 3.363 4.608 2.970 1.00 0.00 H new ATOM 0 HA LEU B 65 1.581 2.852 4.536 1.00 0.00 H new ATOM 0 HB2 LEU B 65 0.702 3.162 2.220 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.277 2.763 1.565 1.00 0.00 H new ATOM 0 HG LEU B 65 1.851 0.526 2.998 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.487 -0.171 2.763 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.314 1.232 3.844 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.910 1.458 2.183 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.089 -0.513 0.903 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.751 1.100 0.232 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.422 0.634 0.630 1.00 0.00 H new ATOM 1784 N GLN B 66 3.609 1.392 4.967 1.00 0.00 N ATOM 1785 CA GLN B 66 4.783 0.550 5.186 1.00 0.00 C ATOM 1786 C GLN B 66 4.406 -0.925 5.065 1.00 0.00 C ATOM 1787 O GLN B 66 3.290 -1.316 5.393 1.00 0.00 O ATOM 1788 CB GLN B 66 5.450 0.826 6.540 1.00 0.00 C ATOM 1789 CG GLN B 66 4.908 0.013 7.704 1.00 0.00 C ATOM 1790 CD GLN B 66 5.976 -0.324 8.733 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.801 -1.228 9.548 1.00 0.00 O ATOM 1792 NE2 GLN B 66 7.098 0.380 8.690 1.00 0.00 N ATOM 0 H GLN B 66 2.893 1.327 5.691 1.00 0.00 H new ATOM 0 HA GLN B 66 5.511 0.798 4.413 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.518 0.631 6.447 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.338 1.885 6.773 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.106 0.570 8.188 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.471 -0.911 7.324 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.208 1.123 8.000 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.852 0.179 9.347 1.00 0.00 H new ATOM 1801 N LEU B 67 5.327 -1.730 4.570 1.00 0.00 N ATOM 1802 CA LEU B 67 5.096 -3.159 4.412 1.00 0.00 C ATOM 1803 C LEU B 67 5.940 -3.936 5.409 1.00 0.00 C ATOM 1804 O LEU B 67 7.102 -3.612 5.618 1.00 0.00 O ATOM 1805 CB LEU B 67 5.447 -3.609 2.990 1.00 0.00 C ATOM 1806 CG LEU B 67 4.731 -2.862 1.865 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.254 -3.320 0.514 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.227 -3.073 1.954 1.00 0.00 C ATOM 0 H LEU B 67 6.250 -1.418 4.267 1.00 0.00 H new ATOM 0 HA LEU B 67 4.040 -3.357 4.595 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.522 -3.499 2.848 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.221 -4.671 2.898 1.00 0.00 H new ATOM 0 HG LEU B 67 4.933 -1.796 1.974 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.736 -2.780 -0.279 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.323 -3.119 0.451 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.078 -4.390 0.399 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.735 -2.533 1.145 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.003 -4.136 1.870 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.863 -2.701 2.912 1.00 0.00 H new ATOM 1820 N VAL B 68 5.348 -4.937 6.038 1.00 0.00 N ATOM 1821 CA VAL B 68 6.060 -5.766 7.001 1.00 0.00 C ATOM 1822 C VAL B 68 6.096 -7.201 6.503 1.00 0.00 C ATOM 1823 O VAL B 68 5.098 -7.922 6.578 1.00 0.00 O ATOM 1824 CB VAL B 68 5.394 -5.730 8.395 1.00 0.00 C ATOM 1825 CG1 VAL B 68 6.140 -6.622 9.380 1.00 0.00 C ATOM 1826 CG2 VAL B 68 5.316 -4.308 8.918 1.00 0.00 C ATOM 0 H VAL B 68 4.372 -5.198 5.899 1.00 0.00 H new ATOM 0 HA VAL B 68 7.070 -5.369 7.099 1.00 0.00 H new ATOM 0 HB VAL B 68 4.379 -6.114 8.291 1.00 0.00 H new ATOM 0 HG11 VAL B 68 5.651 -6.578 10.353 1.00 0.00 H new ATOM 0 HG12 VAL B 68 6.134 -7.650 9.017 1.00 0.00 H new ATOM 0 HG13 VAL B 68 7.169 -6.277 9.476 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.844 -4.307 9.900 1.00 0.00 H new ATOM 0 HG22 VAL B 68 6.321 -3.894 8.998 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.727 -3.700 8.232 1.00 0.00 H new ATOM 1836 N LEU B 69 7.234 -7.615 5.984 1.00 0.00 N ATOM 1837 CA LEU B 69 7.368 -8.964 5.466 1.00 0.00 C ATOM 1838 C LEU B 69 7.748 -9.916 6.590 1.00 0.00 C ATOM 1839 O LEU B 69 8.423 -9.524 7.543 1.00 0.00 O ATOM 1840 CB LEU B 69 8.400 -9.026 4.339 1.00 0.00 C ATOM 1841 CG LEU B 69 8.205 -8.012 3.206 1.00 0.00 C ATOM 1842 CD1 LEU B 69 8.718 -8.568 1.896 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.755 -7.604 3.045 1.00 0.00 C ATOM 0 H LEU B 69 8.075 -7.042 5.909 1.00 0.00 H new ATOM 0 HA LEU B 69 6.407 -9.268 5.051 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.391 -8.877 4.769 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.385 -10.029 3.912 1.00 0.00 H new ATOM 0 HG LEU B 69 8.778 -7.125 3.478 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.570 -7.832 1.106 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.781 -8.793 1.988 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.174 -9.480 1.650 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.668 -6.885 2.231 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.152 -8.484 2.819 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.400 -7.149 3.970 1.00 0.00 H new ATOM 1855 N HIS B 70 7.322 -11.168 6.488 1.00 0.00 N ATOM 1856 CA HIS B 70 7.626 -12.153 7.526 1.00 0.00 C ATOM 1857 C HIS B 70 9.077 -12.612 7.447 1.00 0.00 C ATOM 1858 O HIS B 70 9.550 -13.338 8.315 1.00 0.00 O ATOM 1859 CB HIS B 70 6.680 -13.361 7.469 1.00 0.00 C ATOM 1860 CG HIS B 70 6.237 -13.753 6.095 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.920 -13.836 5.712 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.962 -14.094 5.004 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.893 -14.211 4.428 1.00 0.00 C ATOM 1864 NE2 HIS B 70 6.108 -14.391 3.963 1.00 0.00 N ATOM 0 H HIS B 70 6.771 -11.526 5.708 1.00 0.00 H new ATOM 0 HA HIS B 70 7.472 -11.656 8.484 1.00 0.00 H new ATOM 0 HB2 HIS B 70 7.176 -14.214 7.932 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.798 -13.141 8.070 1.00 0.00 H new ATOM 0 HD1 HIS B 70 4.109 -13.646 6.301 1.00 0.00 H new ATOM 0 HD2 HIS B 70 8.040 -14.128 4.956 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.991 -14.348 3.850 1.00 0.00 H new ATOM 1872 N ALA B 71 9.779 -12.166 6.414 1.00 0.00 N ATOM 1873 CA ALA B 71 11.180 -12.519 6.234 1.00 0.00 C ATOM 1874 C ALA B 71 12.080 -11.579 7.033 1.00 0.00 C ATOM 1875 O ALA B 71 13.300 -11.723 7.033 1.00 0.00 O ATOM 1876 CB ALA B 71 11.549 -12.479 4.757 1.00 0.00 C ATOM 0 H ALA B 71 9.400 -11.558 5.687 1.00 0.00 H new ATOM 0 HA ALA B 71 11.330 -13.533 6.604 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.599 -12.745 4.637 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.930 -13.189 4.208 1.00 0.00 H new ATOM 0 HB3 ALA B 71 11.382 -11.475 4.367 1.00 0.00 H new ATOM 1882 N GLY B 72 11.464 -10.617 7.714 1.00 0.00 N ATOM 1883 CA GLY B 72 12.222 -9.666 8.507 1.00 0.00 C ATOM 1884 C GLY B 72 12.567 -8.421 7.722 1.00 0.00 C ATOM 1885 O GLY B 72 13.597 -7.793 7.957 1.00 0.00 O ATOM 0 H GLY B 72 10.453 -10.479 7.731 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.646 -9.390 9.390 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.139 -10.138 8.860 1.00 0.00 H new ATOM 1889 N ASP B 73 11.695 -8.063 6.792 1.00 0.00 N ATOM 1890 CA ASP B 73 11.901 -6.891 5.952 1.00 0.00 C ATOM 1891 C ASP B 73 10.714 -5.942 6.059 1.00 0.00 C ATOM 1892 O ASP B 73 9.581 -6.376 6.263 1.00 0.00 O ATOM 1893 CB ASP B 73 12.107 -7.321 4.494 1.00 0.00 C ATOM 1894 CG ASP B 73 11.973 -6.170 3.514 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.725 -5.184 3.647 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.107 -6.253 2.619 1.00 0.00 O ATOM 0 H ASP B 73 10.832 -8.571 6.598 1.00 0.00 H new ATOM 0 HA ASP B 73 12.793 -6.367 6.296 1.00 0.00 H new ATOM 0 HB2 ASP B 73 13.096 -7.768 4.389 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.380 -8.093 4.242 1.00 0.00 H new ATOM 1901 N THR B 74 10.982 -4.652 5.940 1.00 0.00 N ATOM 1902 CA THR B 74 9.946 -3.639 6.009 1.00 0.00 C ATOM 1903 C THR B 74 10.189 -2.573 4.947 1.00 0.00 C ATOM 1904 O THR B 74 11.296 -2.046 4.829 1.00 0.00 O ATOM 1905 CB THR B 74 9.893 -2.971 7.397 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.220 -2.686 7.857 1.00 0.00 O ATOM 1907 CG2 THR B 74 9.181 -3.858 8.409 1.00 0.00 C ATOM 0 H THR B 74 11.920 -4.280 5.793 1.00 0.00 H new ATOM 0 HA THR B 74 8.991 -4.133 5.831 1.00 0.00 H new ATOM 0 HB THR B 74 9.332 -2.041 7.300 1.00 0.00 H new ATOM 0 HG1 THR B 74 11.763 -2.363 7.108 1.00 0.00 H new ATOM 0 HG21 THR B 74 9.160 -3.360 9.378 1.00 0.00 H new ATOM 0 HG22 THR B 74 8.161 -4.045 8.075 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.712 -4.805 8.500 1.00 0.00 H new ATOM 1915 N THR B 75 9.155 -2.241 4.193 1.00 0.00 N ATOM 1916 CA THR B 75 9.276 -1.251 3.137 1.00 0.00 C ATOM 1917 C THR B 75 8.425 -0.019 3.437 1.00 0.00 C ATOM 1918 O THR B 75 7.212 -0.123 3.585 1.00 0.00 O ATOM 1919 CB THR B 75 8.836 -1.851 1.792 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.087 -3.263 1.786 1.00 0.00 O ATOM 1921 CG2 THR B 75 9.582 -1.197 0.641 1.00 0.00 C ATOM 0 H THR B 75 8.223 -2.642 4.293 1.00 0.00 H new ATOM 0 HA THR B 75 10.323 -0.952 3.082 1.00 0.00 H new ATOM 0 HB THR B 75 7.769 -1.667 1.665 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.804 -3.642 0.928 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.255 -1.637 -0.301 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.374 -0.127 0.634 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.653 -1.357 0.764 1.00 0.00 H new ATOM 1929 N ASN B 76 9.059 1.143 3.528 1.00 0.00 N ATOM 1930 CA ASN B 76 8.338 2.384 3.809 1.00 0.00 C ATOM 1931 C ASN B 76 8.013 3.126 2.521 1.00 0.00 C ATOM 1932 O ASN B 76 8.911 3.493 1.768 1.00 0.00 O ATOM 1933 CB ASN B 76 9.158 3.298 4.724 1.00 0.00 C ATOM 1934 CG ASN B 76 8.889 3.062 6.194 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.590 1.946 6.620 1.00 0.00 O ATOM 1936 ND2 ASN B 76 8.980 4.122 6.982 1.00 0.00 N ATOM 0 H ASN B 76 10.066 1.255 3.412 1.00 0.00 H new ATOM 0 HA ASN B 76 7.409 2.115 4.312 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.219 3.144 4.526 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.936 4.338 4.482 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.800 4.031 7.982 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.231 5.029 6.589 1.00 0.00 H new ATOM 1943 N PHE B 77 6.730 3.330 2.261 1.00 0.00 N ATOM 1944 CA PHE B 77 6.293 4.041 1.069 1.00 0.00 C ATOM 1945 C PHE B 77 5.585 5.339 1.441 1.00 0.00 C ATOM 1946 O PHE B 77 4.434 5.337 1.868 1.00 0.00 O ATOM 1947 CB PHE B 77 5.372 3.160 0.222 1.00 0.00 C ATOM 1948 CG PHE B 77 6.105 2.088 -0.530 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.283 2.380 -1.196 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.615 0.794 -0.575 1.00 0.00 C ATOM 1951 CE1 PHE B 77 7.961 1.401 -1.890 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.290 -0.190 -1.270 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.465 0.115 -1.928 1.00 0.00 C ATOM 0 H PHE B 77 5.970 3.011 2.863 1.00 0.00 H new ATOM 0 HA PHE B 77 7.177 4.287 0.481 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.628 2.696 0.869 1.00 0.00 H new ATOM 0 HB3 PHE B 77 4.831 3.787 -0.487 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.675 3.386 -1.172 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.696 0.552 -0.062 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.880 1.641 -2.404 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.900 -1.197 -1.299 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.995 -0.653 -2.472 1.00 0.00 H new ATOM 1963 N HIS B 78 6.296 6.435 1.280 1.00 0.00 N ATOM 1964 CA HIS B 78 5.789 7.764 1.575 1.00 0.00 C ATOM 1965 C HIS B 78 5.131 8.354 0.331 1.00 0.00 C ATOM 1966 O HIS B 78 5.776 8.537 -0.698 1.00 0.00 O ATOM 1967 CB HIS B 78 6.973 8.616 2.072 1.00 0.00 C ATOM 1968 CG HIS B 78 6.824 10.112 2.015 1.00 0.00 C ATOM 1969 ND1 HIS B 78 5.735 10.907 1.849 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 7.897 10.965 2.127 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 6.139 12.239 1.853 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 7.446 12.218 2.023 1.00 0.00 N flip ATOM 0 H HIS B 78 7.256 6.431 0.936 1.00 0.00 H new ATOM 0 HA HIS B 78 5.024 7.736 2.351 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.177 8.337 3.106 1.00 0.00 H new ATOM 0 HB3 HIS B 78 7.852 8.343 1.489 1.00 0.00 H new ATOM 0 HD2 HIS B 78 8.926 10.672 2.274 1.00 0.00 H new ATOM 0 HE1 HIS B 78 5.511 13.110 1.740 1.00 0.00 H new ATOM 0 HE2 HIS B 78 8.035 13.049 2.069 1.00 0.00 H new ATOM 1980 N PHE B 79 3.843 8.638 0.424 1.00 0.00 N ATOM 1981 CA PHE B 79 3.111 9.201 -0.698 1.00 0.00 C ATOM 1982 C PHE B 79 3.322 10.709 -0.759 1.00 0.00 C ATOM 1983 O PHE B 79 2.617 11.475 -0.104 1.00 0.00 O ATOM 1984 CB PHE B 79 1.618 8.871 -0.591 1.00 0.00 C ATOM 1985 CG PHE B 79 1.323 7.398 -0.657 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.125 6.772 -1.876 1.00 0.00 C ATOM 1987 CD2 PHE B 79 1.248 6.637 0.499 1.00 0.00 C ATOM 1988 CE1 PHE B 79 0.858 5.417 -1.941 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.983 5.282 0.438 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.787 4.670 -0.784 1.00 0.00 C ATOM 0 H PHE B 79 3.283 8.488 1.263 1.00 0.00 H new ATOM 0 HA PHE B 79 3.492 8.757 -1.618 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.232 9.269 0.348 1.00 0.00 H new ATOM 0 HB3 PHE B 79 1.084 9.377 -1.395 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.180 7.349 -2.787 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.398 7.109 1.459 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.705 4.943 -2.899 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.929 4.701 1.347 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.579 3.611 -0.834 1.00 0.00 H new ATOM 2000 N SER B 80 4.309 11.126 -1.544 1.00 0.00 N ATOM 2001 CA SER B 80 4.628 12.541 -1.693 1.00 0.00 C ATOM 2002 C SER B 80 3.670 13.214 -2.672 1.00 0.00 C ATOM 2003 O SER B 80 3.769 14.412 -2.934 1.00 0.00 O ATOM 2004 CB SER B 80 6.077 12.714 -2.156 1.00 0.00 C ATOM 2005 OG SER B 80 6.394 11.824 -3.220 1.00 0.00 O ATOM 0 H SER B 80 4.904 10.502 -2.089 1.00 0.00 H new ATOM 0 HA SER B 80 4.513 13.022 -0.722 1.00 0.00 H new ATOM 0 HB2 SER B 80 6.236 13.742 -2.481 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.751 12.536 -1.318 1.00 0.00 H new ATOM 0 HG SER B 80 5.586 11.342 -3.495 1.00 0.00 H new ATOM 2011 N ASN B 81 2.756 12.426 -3.217 1.00 0.00 N ATOM 2012 CA ASN B 81 1.763 12.927 -4.154 1.00 0.00 C ATOM 2013 C ASN B 81 0.636 13.579 -3.366 1.00 0.00 C ATOM 2014 O ASN B 81 -0.318 12.919 -2.981 1.00 0.00 O ATOM 2015 CB ASN B 81 1.226 11.766 -4.997 1.00 0.00 C ATOM 2016 CG ASN B 81 0.695 12.205 -6.344 1.00 0.00 C ATOM 2017 OD1 ASN B 81 1.214 13.138 -6.959 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.326 11.517 -6.823 1.00 0.00 N ATOM 0 H ASN B 81 2.682 11.427 -3.024 1.00 0.00 H new ATOM 0 HA ASN B 81 2.209 13.663 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN B 81 2.021 11.036 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.431 11.263 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -0.715 11.751 -7.736 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -0.725 10.752 -6.280 1.00 0.00 H new ATOM 2025 N GLU B 82 0.753 14.878 -3.134 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.228 15.624 -2.342 1.00 0.00 C ATOM 2027 C GLU B 82 -1.650 15.516 -2.894 1.00 0.00 C ATOM 2028 O GLU B 82 -2.617 15.426 -2.129 1.00 0.00 O ATOM 2029 CB GLU B 82 0.188 17.100 -2.236 1.00 0.00 C ATOM 2030 CG GLU B 82 1.052 17.595 -3.392 1.00 0.00 C ATOM 2031 CD GLU B 82 0.272 17.778 -4.680 1.00 0.00 C ATOM 2032 OE1 GLU B 82 -0.300 18.866 -4.881 1.00 0.00 O ATOM 2033 OE2 GLU B 82 0.225 16.823 -5.487 1.00 0.00 O ATOM 0 H GLU B 82 1.524 15.447 -3.485 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.240 15.171 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.710 17.715 -2.180 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.732 17.245 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.512 18.544 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU B 82 1.862 16.886 -3.562 1.00 0.00 H new ATOM 2040 N SER B 83 -1.765 15.505 -4.208 1.00 0.00 N ATOM 2041 CA SER B 83 -3.051 15.439 -4.885 1.00 0.00 C ATOM 2042 C SER B 83 -3.904 14.243 -4.440 1.00 0.00 C ATOM 2043 O SER B 83 -5.109 14.388 -4.191 1.00 0.00 O ATOM 2044 CB SER B 83 -2.822 15.395 -6.395 1.00 0.00 C ATOM 2045 OG SER B 83 -1.459 15.135 -6.694 1.00 0.00 O ATOM 0 H SER B 83 -0.966 15.542 -4.841 1.00 0.00 H new ATOM 0 HA SER B 83 -3.612 16.333 -4.612 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.450 14.623 -6.840 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.121 16.344 -6.840 1.00 0.00 H new ATOM 0 HG SER B 83 -0.935 15.953 -6.568 1.00 0.00 H new ATOM 2051 N THR B 84 -3.299 13.069 -4.325 1.00 0.00 N ATOM 2052 CA THR B 84 -4.050 11.882 -3.940 1.00 0.00 C ATOM 2053 C THR B 84 -3.357 11.050 -2.858 1.00 0.00 C ATOM 2054 O THR B 84 -3.676 9.881 -2.704 1.00 0.00 O ATOM 2055 CB THR B 84 -4.303 10.990 -5.173 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.240 11.155 -6.113 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.626 11.332 -5.842 1.00 0.00 C ATOM 0 H THR B 84 -2.305 12.913 -4.490 1.00 0.00 H new ATOM 0 HA THR B 84 -4.991 12.241 -3.523 1.00 0.00 H new ATOM 0 HB THR B 84 -4.346 9.954 -4.836 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.562 10.463 -5.965 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.774 10.686 -6.707 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.441 11.183 -5.134 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.612 12.373 -6.165 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.463 11.662 -2.083 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.716 10.955 -1.029 1.00 0.00 C ATOM 2067 C ALA B 85 -2.607 10.068 -0.160 1.00 0.00 C ATOM 2068 O ALA B 85 -2.443 8.848 -0.128 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.976 11.953 -0.150 1.00 0.00 C ATOM 0 H ALA B 85 -2.233 12.653 -2.162 1.00 0.00 H new ATOM 0 HA ALA B 85 -1.006 10.302 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.428 11.418 0.625 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.277 12.526 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.693 12.630 0.314 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.545 10.690 0.539 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.458 9.970 1.420 1.00 0.00 C ATOM 2077 C VAL B 86 -5.280 8.936 0.655 1.00 0.00 C ATOM 2078 O VAL B 86 -5.435 7.796 1.091 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.427 10.941 2.123 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -6.115 10.256 3.288 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.702 12.195 2.587 1.00 0.00 C ATOM 0 H VAL B 86 -3.696 11.698 0.514 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.841 9.461 2.160 1.00 0.00 H new ATOM 0 HB VAL B 86 -6.188 11.241 1.402 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.795 10.957 3.772 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.678 9.397 2.924 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -5.367 9.921 4.007 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.409 12.863 3.080 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.913 11.921 3.288 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -4.264 12.701 1.727 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.772 9.342 -0.504 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.608 8.486 -1.334 1.00 0.00 C ATOM 2093 C LYS B 87 -5.838 7.265 -1.842 1.00 0.00 C ATOM 2094 O LYS B 87 -6.322 6.137 -1.745 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.166 9.295 -2.506 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.826 10.598 -2.074 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.667 11.681 -3.129 1.00 0.00 C ATOM 2098 CE LYS B 87 -8.063 13.052 -2.597 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.735 14.142 -3.560 1.00 0.00 N ATOM 0 H LYS B 87 -5.605 10.269 -0.896 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.432 8.117 -0.723 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.358 9.518 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.893 8.688 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.886 10.425 -1.886 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.386 10.936 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.632 11.708 -3.469 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.281 11.437 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.132 13.064 -2.387 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.550 13.236 -1.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.251 15.006 -3.296 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.712 14.329 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -8.013 13.853 -4.520 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.642 7.494 -2.369 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.810 6.417 -2.889 1.00 0.00 C ATOM 2115 C GLU B 88 -3.398 5.472 -1.765 1.00 0.00 C ATOM 2116 O GLU B 88 -3.420 4.256 -1.934 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.571 6.981 -3.602 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.876 7.591 -4.968 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.684 8.297 -5.597 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.444 9.478 -5.258 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.000 7.687 -6.448 1.00 0.00 O ATOM 0 H GLU B 88 -4.225 8.421 -2.448 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.394 5.854 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.112 7.740 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.839 6.183 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.218 6.804 -5.640 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.696 8.301 -4.865 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.061 6.039 -0.608 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.644 5.252 0.551 1.00 0.00 C ATOM 2130 C ARG B 89 -3.676 4.189 0.915 1.00 0.00 C ATOM 2131 O ARG B 89 -3.353 3.006 1.014 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.406 6.159 1.765 1.00 0.00 C ATOM 2133 CG ARG B 89 -2.123 5.399 3.058 1.00 0.00 C ATOM 2134 CD ARG B 89 -3.217 5.620 4.099 1.00 0.00 C ATOM 2135 NE ARG B 89 -2.877 6.690 5.039 1.00 0.00 N ATOM 2136 CZ ARG B 89 -3.760 7.559 5.543 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -5.053 7.457 5.266 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -3.345 8.523 6.353 1.00 0.00 N ATOM 0 H ARG B 89 -3.069 7.046 -0.448 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.714 4.753 0.278 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.566 6.821 1.553 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.282 6.792 1.911 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -2.037 4.334 2.842 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -1.164 5.720 3.465 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -4.152 5.865 3.595 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -3.385 4.694 4.650 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.903 6.778 5.328 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -5.387 6.707 4.660 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.713 8.128 5.659 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -2.356 8.600 6.590 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -4.015 9.188 6.740 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.916 4.613 1.101 1.00 0.00 N ATOM 2153 CA ASP B 90 -5.977 3.696 1.491 1.00 0.00 C ATOM 2154 C ASP B 90 -6.410 2.782 0.356 1.00 0.00 C ATOM 2155 O ASP B 90 -6.855 1.663 0.607 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.171 4.456 2.055 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.047 4.634 3.552 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -6.445 5.636 3.984 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -7.517 3.746 4.296 1.00 0.00 O ATOM 0 H ASP B 90 -5.213 5.582 0.989 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.565 3.057 2.272 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.244 5.432 1.575 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.090 3.917 1.825 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.244 3.222 -0.885 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.631 2.400 -2.022 1.00 0.00 C ATOM 2166 C ALA B 91 -5.643 1.263 -2.148 1.00 0.00 C ATOM 2167 O ALA B 91 -6.010 0.119 -2.417 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.684 3.216 -3.301 1.00 0.00 C ATOM 0 H ALA B 91 -5.849 4.131 -1.127 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.633 2.003 -1.858 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.976 2.573 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.413 4.019 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.701 3.643 -3.501 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.381 1.600 -1.935 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.318 0.624 -1.970 1.00 0.00 C ATOM 2176 C VAL B 92 -3.470 -0.305 -0.777 1.00 0.00 C ATOM 2177 O VAL B 92 -3.344 -1.518 -0.903 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.937 1.306 -1.935 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.833 0.285 -1.783 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.718 2.132 -3.187 1.00 0.00 C ATOM 0 H VAL B 92 -4.072 2.551 -1.735 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.385 0.057 -2.899 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.912 1.969 -1.070 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.131 0.792 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.974 -0.267 -0.854 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.859 -0.408 -2.624 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.737 2.606 -3.143 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.770 1.486 -4.063 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.489 2.900 -3.256 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.768 0.291 0.376 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.976 -0.449 1.615 1.00 0.00 C ATOM 2192 C LYS B 93 -5.008 -1.543 1.410 1.00 0.00 C ATOM 2193 O LYS B 93 -4.751 -2.719 1.675 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.457 0.508 2.713 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.569 -0.124 4.093 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.964 -0.678 4.370 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.936 0.403 4.829 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.469 1.206 3.695 1.00 0.00 N ATOM 0 H LYS B 93 -3.872 1.301 0.476 1.00 0.00 H new ATOM 0 HA LYS B 93 -3.032 -0.905 1.913 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.770 1.353 2.768 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.431 0.907 2.429 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.838 -0.928 4.181 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.319 0.619 4.851 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.350 -1.151 3.467 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.899 -1.453 5.133 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.765 -0.061 5.363 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.433 1.065 5.534 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.433 1.527 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.857 2.032 3.537 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.490 0.621 2.835 1.00 0.00 H new ATOM 2212 N ASP B 94 -6.177 -1.133 0.941 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.276 -2.052 0.683 1.00 0.00 C ATOM 2214 C ASP B 94 -6.879 -3.123 -0.314 1.00 0.00 C ATOM 2215 O ASP B 94 -6.964 -4.308 -0.009 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.506 -1.294 0.182 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.425 -0.879 1.310 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -9.069 0.056 2.059 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.498 -1.496 1.456 1.00 0.00 O ATOM 0 H ASP B 94 -6.390 -0.158 0.729 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.524 -2.542 1.625 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.185 -0.408 -0.367 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.056 -1.922 -0.519 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.422 -2.709 -1.491 1.00 0.00 N ATOM 2225 CA LEU B 95 -6.018 -3.657 -2.523 1.00 0.00 C ATOM 2226 C LEU B 95 -4.979 -4.634 -1.981 1.00 0.00 C ATOM 2227 O LEU B 95 -5.090 -5.844 -2.175 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.466 -2.928 -3.749 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.417 -3.770 -5.025 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.821 -4.149 -5.469 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.691 -3.025 -6.131 1.00 0.00 C ATOM 0 H LEU B 95 -6.322 -1.728 -1.753 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.902 -4.219 -2.825 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -6.078 -2.045 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.459 -2.576 -3.523 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.865 -4.685 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.766 -4.748 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.308 -4.727 -4.683 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.397 -3.245 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.667 -3.641 -7.030 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.213 -2.092 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.671 -2.806 -5.814 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.989 -4.103 -1.275 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.938 -4.924 -0.699 1.00 0.00 C ATOM 2245 C LEU B 96 -3.490 -5.907 0.317 1.00 0.00 C ATOM 2246 O LEU B 96 -3.267 -7.101 0.195 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.863 -4.062 -0.038 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.702 -3.656 -0.944 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.216 -2.681 -0.228 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.077 -4.881 -1.386 1.00 0.00 C ATOM 0 H LEU B 96 -3.894 -3.105 -1.089 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.491 -5.484 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.333 -3.158 0.349 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.462 -4.604 0.818 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.110 -3.164 -1.827 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.037 -2.403 -0.888 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.346 -1.789 0.049 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.616 -3.151 0.670 1.00 0.00 H new ATOM 0 HD21 LEU B 96 0.901 -4.575 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.473 -5.396 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.583 -5.553 -1.934 1.00 0.00 H new ATOM 2262 N GLN B 97 -4.242 -5.419 1.300 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.767 -6.301 2.337 1.00 0.00 C ATOM 2264 C GLN B 97 -5.827 -7.251 1.800 1.00 0.00 C ATOM 2265 O GLN B 97 -6.067 -8.288 2.393 1.00 0.00 O ATOM 2266 CB GLN B 97 -5.280 -5.518 3.554 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.644 -4.875 3.404 1.00 0.00 C ATOM 2268 CD GLN B 97 -7.128 -4.263 4.710 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.685 -4.822 5.835 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.877 -3.291 4.711 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.498 -4.437 1.400 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.930 -6.912 2.675 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -5.311 -6.193 4.409 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.557 -4.738 3.790 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.599 -4.103 2.636 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -7.362 -5.621 3.064 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -8.195 -2.891 3.828 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.182 -2.883 5.595 1.00 0.00 H new ATOM 2279 N GLN B 98 -6.442 -6.913 0.679 1.00 0.00 N ATOM 2280 CA GLN B 98 -7.449 -7.783 0.087 1.00 0.00 C ATOM 2281 C GLN B 98 -6.786 -8.927 -0.676 1.00 0.00 C ATOM 2282 O GLN B 98 -7.274 -10.059 -0.669 1.00 0.00 O ATOM 2283 CB GLN B 98 -8.362 -6.995 -0.854 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.420 -6.180 -0.130 1.00 0.00 C ATOM 2285 CD GLN B 98 -10.198 -5.268 -1.059 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.412 -5.589 -2.227 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -10.622 -4.122 -0.547 1.00 0.00 N ATOM 0 H GLN B 98 -6.265 -6.051 0.163 1.00 0.00 H new ATOM 0 HA GLN B 98 -8.052 -8.197 0.895 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.753 -6.326 -1.463 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.853 -7.689 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.112 -6.856 0.372 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.943 -5.580 0.645 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.423 -3.894 0.427 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.147 -3.468 -1.127 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.672 -8.621 -1.332 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.940 -9.614 -2.112 1.00 0.00 C ATOM 2298 C LEU B 99 -3.920 -10.373 -1.261 1.00 0.00 C ATOM 2299 O LEU B 99 -3.613 -11.531 -1.540 1.00 0.00 O ATOM 2300 CB LEU B 99 -4.237 -8.939 -3.286 1.00 0.00 C ATOM 2301 CG LEU B 99 -5.184 -8.271 -4.277 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -4.436 -7.268 -5.143 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.879 -9.314 -5.138 1.00 0.00 C ATOM 0 H LEU B 99 -5.255 -7.690 -1.339 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.664 -10.339 -2.484 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -3.545 -8.191 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.640 -9.682 -3.815 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.945 -7.731 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.130 -6.803 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.991 -6.501 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.650 -7.781 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.551 -8.818 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.133 -9.884 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.452 -9.988 -4.501 1.00 0.00 H new ATOM 2315 N LEU B 100 -3.409 -9.710 -0.228 1.00 0.00 N ATOM 2316 CA LEU B 100 -2.406 -10.289 0.674 1.00 0.00 C ATOM 2317 C LEU B 100 -2.709 -11.715 1.119 1.00 0.00 C ATOM 2318 O LEU B 100 -1.942 -12.620 0.809 1.00 0.00 O ATOM 2319 CB LEU B 100 -2.197 -9.410 1.913 1.00 0.00 C ATOM 2320 CG LEU B 100 -1.092 -8.379 1.780 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.989 -7.530 3.039 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.209 -9.098 1.505 1.00 0.00 C ATOM 0 H LEU B 100 -3.676 -8.755 0.012 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.493 -10.328 0.080 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -3.131 -8.895 2.138 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.975 -10.053 2.765 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.318 -7.705 0.953 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.190 -6.798 2.920 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.933 -7.012 3.207 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.770 -8.171 3.893 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.014 -8.369 1.407 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.432 -9.776 2.329 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.121 -9.668 0.580 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.835 -11.957 1.806 1.00 0.00 N ATOM 2335 CA PRO B 101 -4.153 -13.286 2.324 1.00 0.00 C ATOM 2336 C PRO B 101 -4.357 -14.348 1.244 1.00 0.00 C ATOM 2337 O PRO B 101 -4.465 -15.535 1.556 1.00 0.00 O ATOM 2338 CB PRO B 101 -5.435 -13.068 3.123 1.00 0.00 C ATOM 2339 CG PRO B 101 -6.038 -11.825 2.576 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.894 -10.979 2.114 1.00 0.00 C ATOM 0 HA PRO B 101 -3.324 -13.678 2.914 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -6.114 -13.914 3.014 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -5.222 -12.965 4.187 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.715 -12.050 1.752 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.623 -11.308 3.337 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -5.161 -10.389 1.237 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.578 -10.277 2.886 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.399 -13.930 -0.015 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.578 -14.864 -1.119 1.00 0.00 C ATOM 2350 C LYS B 102 -3.239 -15.470 -1.529 1.00 0.00 C ATOM 2351 O LYS B 102 -3.173 -16.614 -1.970 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.211 -14.167 -2.327 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.729 -14.243 -2.368 1.00 0.00 C ATOM 2354 CD LYS B 102 -7.372 -13.266 -1.399 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.741 -12.825 -1.890 1.00 0.00 C ATOM 2356 NZ LYS B 102 -9.419 -11.928 -0.920 1.00 0.00 N ATOM 0 H LYS B 102 -4.312 -12.953 -0.296 1.00 0.00 H new ATOM 0 HA LYS B 102 -5.244 -15.657 -0.779 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.911 -13.119 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.812 -14.611 -3.239 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.076 -14.032 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.048 -15.257 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.467 -13.732 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.729 -12.395 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.635 -12.311 -2.846 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.362 -13.703 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.294 -11.557 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.651 -12.461 -0.058 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.788 -11.137 -0.679 1.00 0.00 H new ATOM 2370 N PHE B 103 -2.177 -14.691 -1.374 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.840 -15.137 -1.743 1.00 0.00 C ATOM 2372 C PHE B 103 0.012 -15.409 -0.512 1.00 0.00 C ATOM 2373 O PHE B 103 0.823 -16.335 -0.499 1.00 0.00 O ATOM 2374 CB PHE B 103 -0.159 -14.084 -2.621 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.862 -13.840 -3.927 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -0.608 -14.646 -5.025 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -1.778 -12.809 -4.055 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -1.255 -14.426 -6.227 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -2.427 -12.583 -5.253 1.00 0.00 C ATOM 2380 CZ PHE B 103 -2.165 -13.394 -6.341 1.00 0.00 C ATOM 0 H PHE B 103 -2.216 -13.745 -0.994 1.00 0.00 H new ATOM 0 HA PHE B 103 -0.939 -16.068 -2.301 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -0.101 -13.146 -2.069 1.00 0.00 H new ATOM 0 HB3 PHE B 103 0.865 -14.399 -2.823 1.00 0.00 H new ATOM 0 HD1 PHE B 103 0.103 -15.455 -4.941 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -1.987 -12.174 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -1.049 -15.061 -7.076 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.138 -11.774 -5.339 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.671 -13.221 -7.279 1.00 0.00 H new