USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=24 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 14 LYS NZ :NH3+ -172:sc= 2.05 (180deg=0.809) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.99 K(o=5,f=-6.8) USER MOD Set 1.3: B 83 SER OG : rot -23:sc= 0.497 USER MOD Set 1.4: B 84 THR OG1 : rot 74:sc= 0.45 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -3.76! C(o=-3.8!,f=-5.8!) USER MOD Set 2.2: B 75 THR OG1 : rot 166:sc= 0.0066 USER MOD Set 3.1: B 66 GLN : amide:sc= -5! C(o=-7.4!,f=-9.9!) USER MOD Set 3.2: B 76 ASN : amide:sc= -2.43! K(o=-7.4!,f=-9.3) USER MOD Set 4.1: B 17 GLN :FLIP amide:sc= -0.092 F(o=-1.9!,f=0.4) USER MOD Set 4.2: B 20 GLN :FLIP amide:sc= 0.494 F(o=-1.9,f=0.4) USER MOD Set 5.1: B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.019) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 MET CE :methyl 143:sc= -0.474 (180deg=-1.79!) USER MOD Single : B 44 SER OG : rot 130:sc= -1.37 USER MOD Single : B 46 MET CE :methyl -160:sc= -0.128 (180deg=-0.662) USER MOD Single : B 47 TYR OH : rot 47:sc= 0.423 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot 1:sc= -0.649 USER MOD Single : B 53 GLN : amide:sc= -3.29 K(o=-3.3,f=-9.1!) USER MOD Single : B 54 LYS NZ :NH3+ -157:sc= 1.13 (180deg=1.08) USER MOD Single : B 56 SER OG : rot 111:sc= -0.601 USER MOD Single : B 60 LYS NZ :NH3+ 158:sc= 1.3 (180deg=0.297) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -3.9! C(o=-3.9!,f=-7.9!) USER MOD Single : B 70 HIS : no HE2:sc= -6.81! C(o=-6.8!,f=-6.9!) USER MOD Single : B 74 THR OG1 : rot 42:sc= 0.00865 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -1.83 F(o=-2.5!,f=-1.8) USER MOD Single : B 80 SER OG : rot 40:sc= 1.14 USER MOD Single : B 87 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.09) USER MOD Single : B 93 LYS NZ :NH3+ 149:sc= -0.516 (180deg=-0.945!) USER MOD Single : B 97 GLN :FLIP amide:sc= -1.62! C(o=-3.9!,f=-1.6!) USER MOD Single : B 98 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.29) USER MOD Single : B 102 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.14) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.201 4.828 13.600 1.00 0.00 N ATOM 340 CA ASP A 132 2.948 5.530 13.810 1.00 0.00 C ATOM 341 C ASP A 132 2.036 5.253 12.650 1.00 0.00 C ATOM 342 O ASP A 132 1.499 6.158 12.019 1.00 0.00 O ATOM 343 CB ASP A 132 3.161 7.020 13.926 1.00 0.00 C ATOM 344 CG ASP A 132 3.794 7.454 15.234 1.00 0.00 C ATOM 345 OD1 ASP A 132 3.708 6.703 16.222 1.00 0.00 O ATOM 346 OD2 ASP A 132 4.384 8.559 15.263 1.00 0.00 O ATOM 0 HA ASP A 132 2.508 5.176 14.742 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.792 7.351 13.101 1.00 0.00 H new ATOM 0 HB3 ASP A 132 2.201 7.523 13.815 1.00 0.00 H new ATOM 351 N TRP A 133 1.913 3.990 12.353 1.00 0.00 N ATOM 352 CA TRP A 133 1.094 3.531 11.259 1.00 0.00 C ATOM 353 C TRP A 133 -0.093 2.730 11.769 1.00 0.00 C ATOM 354 O TRP A 133 0.025 1.974 12.733 1.00 0.00 O ATOM 355 CB TRP A 133 1.907 2.607 10.344 1.00 0.00 C ATOM 356 CG TRP A 133 3.306 3.035 10.001 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.417 2.940 10.783 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.762 3.554 8.752 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.512 3.402 10.108 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.138 3.788 8.873 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.145 3.858 7.553 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.902 4.308 7.850 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.908 4.374 6.533 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.275 4.598 6.686 1.00 0.00 C ATOM 0 H TRP A 133 2.380 3.242 12.865 1.00 0.00 H new ATOM 0 HA TRP A 133 0.749 4.412 10.718 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.960 1.626 10.816 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.354 2.483 9.413 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.431 2.555 11.792 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.461 3.447 10.480 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.086 3.694 7.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 6.961 4.478 7.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.437 4.612 5.591 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.842 5.009 5.864 1.00 0.00 H new ATOM 375 N GLU A 134 -1.230 2.908 11.118 1.00 0.00 N ATOM 376 CA GLU A 134 -2.411 2.136 11.421 1.00 0.00 C ATOM 377 C GLU A 134 -2.110 0.784 10.806 1.00 0.00 C ATOM 378 O GLU A 134 -2.241 0.595 9.597 1.00 0.00 O ATOM 379 CB GLU A 134 -3.664 2.764 10.788 1.00 0.00 C ATOM 380 CG GLU A 134 -3.692 4.286 10.840 1.00 0.00 C ATOM 381 CD GLU A 134 -4.629 4.891 9.809 1.00 0.00 C ATOM 382 OE1 GLU A 134 -5.854 4.728 9.949 1.00 0.00 O ATOM 383 OE2 GLU A 134 -4.133 5.536 8.855 1.00 0.00 O ATOM 0 H GLU A 134 -1.355 3.589 10.369 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.621 2.083 12.489 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.731 2.446 9.748 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.547 2.378 11.297 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.999 4.606 11.836 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.685 4.669 10.679 1.00 0.00 H new ATOM 390 N GLU A 135 -1.635 -0.124 11.627 1.00 0.00 N ATOM 391 CA GLU A 135 -1.196 -1.412 11.146 1.00 0.00 C ATOM 392 C GLU A 135 -2.312 -2.286 10.588 1.00 0.00 C ATOM 393 O GLU A 135 -3.203 -2.752 11.293 1.00 0.00 O ATOM 394 CB GLU A 135 -0.382 -2.112 12.229 1.00 0.00 C ATOM 395 CG GLU A 135 -1.007 -2.099 13.606 1.00 0.00 C ATOM 396 CD GLU A 135 0.000 -2.469 14.674 1.00 0.00 C ATOM 397 OE1 GLU A 135 1.067 -1.814 14.731 1.00 0.00 O ATOM 398 OE2 GLU A 135 -0.249 -3.421 15.433 1.00 0.00 O ATOM 0 H GLU A 135 -1.543 0.007 12.634 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.555 -1.233 10.283 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.221 -3.147 11.929 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.599 -1.641 12.287 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.412 -1.109 13.814 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.843 -2.798 13.634 1.00 0.00 H new ATOM 405 N VAL A 136 -2.223 -2.455 9.277 1.00 0.00 N ATOM 406 CA VAL A 136 -3.129 -3.259 8.477 1.00 0.00 C ATOM 407 C VAL A 136 -2.712 -4.728 8.447 1.00 0.00 C ATOM 408 O VAL A 136 -1.530 -5.072 8.341 1.00 0.00 O ATOM 409 CB VAL A 136 -3.160 -2.730 7.045 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.054 -3.546 6.157 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.567 -1.287 7.046 1.00 0.00 C ATOM 0 H VAL A 136 -1.488 -2.018 8.721 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.116 -3.190 8.934 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.155 -2.816 6.633 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.043 -3.131 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.697 -4.576 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.072 -3.525 6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.588 -0.914 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.559 -1.189 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.851 -0.707 7.629 1.00 0.00 H new ATOM 421 N GLU A 137 -3.698 -5.579 8.515 1.00 0.00 N ATOM 422 CA GLU A 137 -3.496 -7.022 8.525 1.00 0.00 C ATOM 423 C GLU A 137 -4.065 -7.670 7.273 1.00 0.00 C ATOM 424 O GLU A 137 -4.922 -7.090 6.602 1.00 0.00 O ATOM 425 CB GLU A 137 -4.138 -7.633 9.764 1.00 0.00 C ATOM 426 CG GLU A 137 -4.601 -6.588 10.753 1.00 0.00 C ATOM 427 CD GLU A 137 -6.011 -6.099 10.465 1.00 0.00 C ATOM 428 OE1 GLU A 137 -6.197 -5.377 9.456 1.00 0.00 O ATOM 429 OE2 GLU A 137 -6.929 -6.446 11.235 1.00 0.00 O ATOM 0 H GLU A 137 -4.678 -5.299 8.566 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.422 -7.209 8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.988 -8.246 9.464 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.423 -8.296 10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.562 -7.003 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.915 -5.742 10.731 1.00 0.00 H new ATOM 436 N GLU A 138 -3.519 -8.834 6.920 1.00 0.00 N ATOM 437 CA GLU A 138 -3.984 -9.584 5.761 1.00 0.00 C ATOM 438 C GLU A 138 -5.488 -9.814 5.878 1.00 0.00 C ATOM 439 O GLU A 138 -5.959 -10.609 6.691 1.00 0.00 O ATOM 440 CB GLU A 138 -3.229 -10.915 5.644 1.00 0.00 C ATOM 441 CG GLU A 138 -3.035 -11.645 6.969 1.00 0.00 C ATOM 442 CD GLU A 138 -1.909 -12.654 6.910 1.00 0.00 C ATOM 443 OE1 GLU A 138 -1.737 -13.298 5.857 1.00 0.00 O ATOM 444 OE2 GLU A 138 -1.154 -12.782 7.897 1.00 0.00 O ATOM 0 H GLU A 138 -2.751 -9.276 7.425 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.785 -9.011 4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.770 -11.567 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.252 -10.727 5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -2.828 -10.918 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -3.961 -12.153 7.240 1.00 0.00 H new ATOM 451 N LEU A 139 -6.229 -9.108 5.050 1.00 0.00 N ATOM 452 CA LEU A 139 -7.673 -9.162 5.071 1.00 0.00 C ATOM 453 C LEU A 139 -8.213 -10.282 4.201 1.00 0.00 C ATOM 454 O LEU A 139 -7.970 -10.340 2.995 1.00 0.00 O ATOM 455 CB LEU A 139 -8.216 -7.812 4.630 1.00 0.00 C ATOM 456 CG LEU A 139 -9.613 -7.797 4.008 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.667 -8.257 5.007 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.949 -6.406 3.496 1.00 0.00 C ATOM 0 H LEU A 139 -5.845 -8.480 4.343 1.00 0.00 H new ATOM 0 HA LEU A 139 -8.004 -9.379 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.223 -7.150 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.519 -7.385 3.909 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.614 -8.494 3.170 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.649 -8.235 4.535 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.442 -9.273 5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.665 -7.592 5.871 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.946 -6.411 3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.921 -5.697 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -9.221 -6.111 2.741 1.00 0.00 H new ATOM 815 N VAL B 8 -0.774 -5.607 -13.492 1.00 0.00 N ATOM 816 CA VAL B 8 -0.715 -4.287 -12.887 1.00 0.00 C ATOM 817 C VAL B 8 -2.122 -3.802 -12.575 1.00 0.00 C ATOM 818 O VAL B 8 -2.814 -3.252 -13.430 1.00 0.00 O ATOM 819 CB VAL B 8 0.004 -3.275 -13.802 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.353 -2.011 -13.032 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.254 -3.902 -14.406 1.00 0.00 C ATOM 0 HA VAL B 8 -0.141 -4.364 -11.963 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.670 -3.002 -14.614 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.860 -1.309 -13.695 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.560 -1.554 -12.649 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.010 -2.262 -12.199 1.00 0.00 H new ATOM 0 HG21 VAL B 8 1.751 -3.176 -15.049 1.00 0.00 H new ATOM 0 HG22 VAL B 8 1.932 -4.203 -13.608 1.00 0.00 H new ATOM 0 HG23 VAL B 8 0.975 -4.776 -14.994 1.00 0.00 H new ATOM 831 N LEU B 9 -2.530 -4.034 -11.343 1.00 0.00 N ATOM 832 CA LEU B 9 -3.854 -3.673 -10.872 1.00 0.00 C ATOM 833 C LEU B 9 -3.945 -2.197 -10.528 1.00 0.00 C ATOM 834 O LEU B 9 -4.913 -1.523 -10.877 1.00 0.00 O ATOM 835 CB LEU B 9 -4.184 -4.501 -9.633 1.00 0.00 C ATOM 836 CG LEU B 9 -4.006 -6.012 -9.791 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.065 -6.699 -8.440 1.00 0.00 C ATOM 838 CD2 LEU B 9 -5.060 -6.588 -10.723 1.00 0.00 C ATOM 0 H LEU B 9 -1.948 -4.482 -10.635 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.567 -3.876 -11.671 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.554 -4.161 -8.811 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -5.217 -4.301 -9.347 1.00 0.00 H new ATOM 0 HG LEU B 9 -3.025 -6.192 -10.231 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.937 -7.773 -8.572 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.270 -6.314 -7.801 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.031 -6.504 -7.974 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.912 -7.664 -10.819 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -6.052 -6.393 -10.315 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.973 -6.121 -11.704 1.00 0.00 H new ATOM 850 N LEU B 10 -2.938 -1.701 -9.838 1.00 0.00 N ATOM 851 CA LEU B 10 -2.930 -0.304 -9.427 1.00 0.00 C ATOM 852 C LEU B 10 -1.608 0.388 -9.725 1.00 0.00 C ATOM 853 O LEU B 10 -0.535 -0.172 -9.518 1.00 0.00 O ATOM 854 CB LEU B 10 -3.244 -0.192 -7.940 1.00 0.00 C ATOM 855 CG LEU B 10 -3.767 1.177 -7.506 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.135 1.444 -8.109 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.825 1.277 -5.991 1.00 0.00 C ATOM 0 H LEU B 10 -2.119 -2.236 -9.550 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.700 0.201 -10.010 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.984 -0.949 -7.679 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.342 -0.419 -7.372 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.075 1.935 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.489 2.423 -7.788 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.064 1.423 -9.196 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.835 0.678 -7.776 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.200 2.260 -5.705 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.491 0.507 -5.601 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.826 1.136 -5.579 1.00 0.00 H new ATOM 869 N ILE B 11 -1.706 1.616 -10.216 1.00 0.00 N ATOM 870 CA ILE B 11 -0.536 2.421 -10.521 1.00 0.00 C ATOM 871 C ILE B 11 -0.546 3.670 -9.657 1.00 0.00 C ATOM 872 O ILE B 11 -1.358 4.571 -9.855 1.00 0.00 O ATOM 873 CB ILE B 11 -0.476 2.819 -12.013 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.318 1.572 -12.888 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.670 3.797 -12.262 1.00 0.00 C ATOM 876 CD1 ILE B 11 -0.320 1.861 -14.372 1.00 0.00 C ATOM 0 H ILE B 11 -2.594 2.078 -10.412 1.00 0.00 H new ATOM 0 HA ILE B 11 0.348 1.820 -10.308 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.410 3.314 -12.278 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.615 1.072 -12.626 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.126 0.877 -12.662 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.696 4.066 -13.318 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.519 4.695 -11.663 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.614 3.330 -11.983 1.00 0.00 H new ATOM 0 HD11 ILE B 11 -0.204 0.929 -14.924 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -1.263 2.332 -14.650 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.505 2.531 -14.613 1.00 0.00 H new ATOM 888 N VAL B 12 0.349 3.699 -8.690 1.00 0.00 N ATOM 889 CA VAL B 12 0.462 4.815 -7.770 1.00 0.00 C ATOM 890 C VAL B 12 1.576 5.748 -8.222 1.00 0.00 C ATOM 891 O VAL B 12 2.638 5.293 -8.658 1.00 0.00 O ATOM 892 CB VAL B 12 0.745 4.307 -6.342 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.549 5.412 -5.317 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.143 3.113 -6.026 1.00 0.00 C ATOM 0 H VAL B 12 1.019 2.949 -8.519 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.481 5.362 -7.764 1.00 0.00 H new ATOM 0 HB VAL B 12 1.787 3.991 -6.291 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.756 5.024 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.230 6.235 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.479 5.771 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.065 2.762 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.190 3.408 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.058 2.312 -6.737 1.00 0.00 H new ATOM 904 N LYS B 13 1.334 7.041 -8.130 1.00 0.00 N ATOM 905 CA LYS B 13 2.319 8.024 -8.554 1.00 0.00 C ATOM 906 C LYS B 13 3.094 8.596 -7.371 1.00 0.00 C ATOM 907 O LYS B 13 2.824 8.249 -6.228 1.00 0.00 O ATOM 908 CB LYS B 13 1.647 9.146 -9.347 1.00 0.00 C ATOM 909 CG LYS B 13 1.350 8.779 -10.797 1.00 0.00 C ATOM 910 CD LYS B 13 2.626 8.646 -11.621 1.00 0.00 C ATOM 911 CE LYS B 13 3.077 7.196 -11.745 1.00 0.00 C ATOM 912 NZ LYS B 13 4.398 7.082 -12.422 1.00 0.00 N ATOM 0 H LYS B 13 0.467 7.437 -7.767 1.00 0.00 H new ATOM 0 HA LYS B 13 3.035 7.515 -9.199 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.715 9.420 -8.853 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.289 10.027 -9.329 1.00 0.00 H new ATOM 0 HG2 LYS B 13 0.798 7.840 -10.828 1.00 0.00 H new ATOM 0 HG3 LYS B 13 0.709 9.541 -11.241 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.460 9.060 -12.615 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.419 9.234 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS B 13 3.138 6.748 -10.753 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.332 6.631 -12.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.670 6.080 -12.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.334 7.486 -13.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.115 7.600 -11.875 1.00 0.00 H new ATOM 926 N LYS B 14 3.998 9.531 -7.693 1.00 0.00 N ATOM 927 CA LYS B 14 4.897 10.210 -6.745 1.00 0.00 C ATOM 928 C LYS B 14 5.024 9.521 -5.377 1.00 0.00 C ATOM 929 O LYS B 14 4.588 10.055 -4.354 1.00 0.00 O ATOM 930 CB LYS B 14 4.411 11.643 -6.547 1.00 0.00 C ATOM 931 CG LYS B 14 4.526 12.523 -7.783 1.00 0.00 C ATOM 932 CD LYS B 14 3.935 13.901 -7.523 1.00 0.00 C ATOM 933 CE LYS B 14 3.121 14.403 -8.708 1.00 0.00 C ATOM 934 NZ LYS B 14 1.900 15.136 -8.271 1.00 0.00 N ATOM 0 H LYS B 14 4.129 9.848 -8.654 1.00 0.00 H new ATOM 0 HA LYS B 14 5.893 10.175 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.369 11.619 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.981 12.098 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.573 12.620 -8.070 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.009 12.053 -8.619 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.301 13.863 -6.637 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.738 14.606 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.739 15.059 -9.321 1.00 0.00 H new ATOM 0 HE3 LYS B 14 2.833 13.559 -9.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 1.305 15.343 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.366 14.550 -7.598 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.176 16.027 -7.811 1.00 0.00 H new ATOM 948 N VAL B 15 5.643 8.347 -5.369 1.00 0.00 N ATOM 949 CA VAL B 15 5.859 7.595 -4.141 1.00 0.00 C ATOM 950 C VAL B 15 7.332 7.660 -3.762 1.00 0.00 C ATOM 951 O VAL B 15 8.199 7.299 -4.555 1.00 0.00 O ATOM 952 CB VAL B 15 5.446 6.109 -4.280 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.726 5.345 -2.992 1.00 0.00 C ATOM 954 CG2 VAL B 15 3.982 5.985 -4.652 1.00 0.00 C ATOM 0 H VAL B 15 6.007 7.893 -6.207 1.00 0.00 H new ATOM 0 HA VAL B 15 5.236 8.047 -3.369 1.00 0.00 H new ATOM 0 HB VAL B 15 6.044 5.673 -5.080 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.428 4.304 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.791 5.393 -2.765 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.160 5.791 -2.174 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.718 4.931 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.369 6.447 -3.878 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.804 6.487 -5.603 1.00 0.00 H new ATOM 964 N ARG B 16 7.612 8.125 -2.562 1.00 0.00 N ATOM 965 CA ARG B 16 8.974 8.241 -2.093 1.00 0.00 C ATOM 966 C ARG B 16 9.266 7.222 -1.010 1.00 0.00 C ATOM 967 O ARG B 16 8.594 7.192 0.014 1.00 0.00 O ATOM 968 CB ARG B 16 9.228 9.638 -1.530 1.00 0.00 C ATOM 969 CG ARG B 16 9.735 10.643 -2.549 1.00 0.00 C ATOM 970 CD ARG B 16 10.044 11.980 -1.889 1.00 0.00 C ATOM 971 NE ARG B 16 10.312 11.835 -0.452 1.00 0.00 N ATOM 972 CZ ARG B 16 10.302 12.843 0.418 1.00 0.00 C ATOM 973 NH1 ARG B 16 10.099 14.088 -0.004 1.00 0.00 N ATOM 974 NH2 ARG B 16 10.495 12.603 1.709 1.00 0.00 N ATOM 0 H ARG B 16 6.907 8.430 -1.891 1.00 0.00 H new ATOM 0 HA ARG B 16 9.629 8.059 -2.945 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.302 10.015 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG B 16 9.953 9.563 -0.720 1.00 0.00 H new ATOM 0 HG2 ARG B 16 10.632 10.256 -3.032 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.988 10.783 -3.330 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.908 12.433 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG B 16 9.204 12.659 -2.034 1.00 0.00 H new ATOM 0 HE ARG B 16 10.519 10.901 -0.098 1.00 0.00 H new ATOM 0 HH11 ARG B 16 9.950 14.272 -0.996 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.092 14.858 0.665 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.651 11.648 2.033 1.00 0.00 H new ATOM 0 HH22 ARG B 16 10.488 13.373 2.378 1.00 0.00 H new ATOM 988 N GLN B 17 10.255 6.383 -1.225 1.00 0.00 N ATOM 989 CA GLN B 17 10.625 5.425 -0.208 1.00 0.00 C ATOM 990 C GLN B 17 11.910 5.909 0.440 1.00 0.00 C ATOM 991 O GLN B 17 12.977 5.892 -0.168 1.00 0.00 O ATOM 992 CB GLN B 17 10.741 3.990 -0.759 1.00 0.00 C ATOM 993 CG GLN B 17 11.861 3.760 -1.762 1.00 0.00 C ATOM 994 CD GLN B 17 13.105 3.156 -1.130 1.00 0.00 C ATOM 995 OE1 GLN B 17 12.940 2.445 -0.023 1.00 0.00 O flip ATOM 996 NE2 GLN B 17 14.212 3.334 -1.628 1.00 0.00 N flip ATOM 0 H GLN B 17 10.809 6.344 -2.080 1.00 0.00 H new ATOM 0 HA GLN B 17 9.837 5.365 0.543 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.883 3.308 0.080 1.00 0.00 H new ATOM 0 HB3 GLN B 17 9.795 3.723 -1.230 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.504 3.100 -2.553 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.122 4.708 -2.232 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.305 3.886 -2.481 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.039 2.930 -1.190 1.00 0.00 H new ATOM 1005 N LYS B 18 11.770 6.437 1.645 1.00 0.00 N ATOM 1006 CA LYS B 18 12.902 6.957 2.397 1.00 0.00 C ATOM 1007 C LYS B 18 13.640 8.044 1.611 1.00 0.00 C ATOM 1008 O LYS B 18 14.853 7.976 1.421 1.00 0.00 O ATOM 1009 CB LYS B 18 13.842 5.816 2.791 1.00 0.00 C ATOM 1010 CG LYS B 18 13.255 4.907 3.858 1.00 0.00 C ATOM 1011 CD LYS B 18 13.221 5.602 5.207 1.00 0.00 C ATOM 1012 CE LYS B 18 12.246 4.946 6.176 1.00 0.00 C ATOM 1013 NZ LYS B 18 12.568 3.518 6.431 1.00 0.00 N ATOM 0 H LYS B 18 10.875 6.517 2.128 1.00 0.00 H new ATOM 0 HA LYS B 18 12.526 7.421 3.309 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.078 5.224 1.906 1.00 0.00 H new ATOM 0 HB3 LYS B 18 14.781 6.234 3.154 1.00 0.00 H new ATOM 0 HG2 LYS B 18 12.246 4.610 3.573 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.847 3.995 3.930 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.221 5.594 5.641 1.00 0.00 H new ATOM 0 HD3 LYS B 18 12.942 6.646 5.067 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.256 5.491 7.120 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.235 5.021 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.939 3.147 7.171 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.434 2.971 5.557 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.557 3.435 6.743 1.00 0.00 H new ATOM 1027 N LYS B 19 12.866 9.027 1.139 1.00 0.00 N ATOM 1028 CA LYS B 19 13.381 10.184 0.390 1.00 0.00 C ATOM 1029 C LYS B 19 13.756 9.852 -1.054 1.00 0.00 C ATOM 1030 O LYS B 19 14.349 10.680 -1.742 1.00 0.00 O ATOM 1031 CB LYS B 19 14.578 10.828 1.108 1.00 0.00 C ATOM 1032 CG LYS B 19 14.193 11.817 2.203 1.00 0.00 C ATOM 1033 CD LYS B 19 13.379 11.149 3.298 1.00 0.00 C ATOM 1034 CE LYS B 19 13.174 12.061 4.495 1.00 0.00 C ATOM 1035 NZ LYS B 19 14.330 12.017 5.430 1.00 0.00 N ATOM 0 H LYS B 19 11.854 9.044 1.266 1.00 0.00 H new ATOM 0 HA LYS B 19 12.558 10.898 0.352 1.00 0.00 H new ATOM 0 HB2 LYS B 19 15.192 10.040 1.545 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.196 11.341 0.371 1.00 0.00 H new ATOM 0 HG2 LYS B 19 15.094 12.253 2.633 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.618 12.635 1.769 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.409 10.853 2.898 1.00 0.00 H new ATOM 0 HD3 LYS B 19 13.883 10.238 3.619 1.00 0.00 H new ATOM 0 HE2 LYS B 19 13.024 13.084 4.150 1.00 0.00 H new ATOM 0 HE3 LYS B 19 12.268 11.767 5.024 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 14.151 12.653 6.233 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 14.457 11.046 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 15.191 12.322 4.932 1.00 0.00 H new ATOM 1049 N GLN B 20 13.391 8.671 -1.534 1.00 0.00 N ATOM 1050 CA GLN B 20 13.709 8.301 -2.908 1.00 0.00 C ATOM 1051 C GLN B 20 12.456 8.368 -3.774 1.00 0.00 C ATOM 1052 O GLN B 20 11.455 7.721 -3.472 1.00 0.00 O ATOM 1053 CB GLN B 20 14.340 6.907 -2.978 1.00 0.00 C ATOM 1054 CG GLN B 20 14.772 6.528 -4.385 1.00 0.00 C ATOM 1055 CD GLN B 20 15.848 5.455 -4.430 1.00 0.00 C ATOM 1056 OE1 GLN B 20 15.818 4.526 -3.487 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.694 5.455 -5.324 1.00 0.00 N flip ATOM 0 H GLN B 20 12.883 7.963 -1.004 1.00 0.00 H new ATOM 0 HA GLN B 20 14.440 9.014 -3.290 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.204 6.870 -2.315 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.625 6.170 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.901 6.179 -4.941 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.139 7.419 -4.894 1.00 0.00 H new ATOM 0 HE21 GLN B 20 16.686 6.187 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.403 4.723 -5.355 1.00 0.00 H new ATOM 1066 N ASP B 21 12.518 9.166 -4.837 1.00 0.00 N ATOM 1067 CA ASP B 21 11.386 9.342 -5.750 1.00 0.00 C ATOM 1068 C ASP B 21 11.087 8.061 -6.515 1.00 0.00 C ATOM 1069 O ASP B 21 11.996 7.293 -6.834 1.00 0.00 O ATOM 1070 CB ASP B 21 11.667 10.481 -6.745 1.00 0.00 C ATOM 1071 CG ASP B 21 12.419 10.022 -7.989 1.00 0.00 C ATOM 1072 OD1 ASP B 21 11.768 9.579 -8.956 1.00 0.00 O ATOM 1073 OD2 ASP B 21 13.664 10.110 -8.014 1.00 0.00 O ATOM 0 H ASP B 21 13.346 9.706 -5.091 1.00 0.00 H new ATOM 0 HA ASP B 21 10.515 9.596 -5.146 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.722 10.933 -7.046 1.00 0.00 H new ATOM 0 HB3 ASP B 21 12.246 11.257 -6.244 1.00 0.00 H new ATOM 1078 N GLY B 22 9.811 7.816 -6.787 1.00 0.00 N ATOM 1079 CA GLY B 22 9.439 6.639 -7.530 1.00 0.00 C ATOM 1080 C GLY B 22 7.947 6.497 -7.725 1.00 0.00 C ATOM 1081 O GLY B 22 7.163 7.344 -7.302 1.00 0.00 O ATOM 0 H GLY B 22 9.033 8.413 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.924 6.666 -8.506 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.815 5.757 -7.011 1.00 0.00 H new ATOM 1085 N ALA B 23 7.571 5.424 -8.388 1.00 0.00 N ATOM 1086 CA ALA B 23 6.186 5.106 -8.649 1.00 0.00 C ATOM 1087 C ALA B 23 5.899 3.715 -8.112 1.00 0.00 C ATOM 1088 O ALA B 23 6.736 2.816 -8.229 1.00 0.00 O ATOM 1089 CB ALA B 23 5.889 5.188 -10.136 1.00 0.00 C ATOM 0 H ALA B 23 8.228 4.741 -8.765 1.00 0.00 H new ATOM 0 HA ALA B 23 5.541 5.828 -8.149 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.841 4.945 -10.312 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.092 6.198 -10.492 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.520 4.480 -10.673 1.00 0.00 H new ATOM 1095 N LEU B 24 4.730 3.532 -7.535 1.00 0.00 N ATOM 1096 CA LEU B 24 4.376 2.254 -6.950 1.00 0.00 C ATOM 1097 C LEU B 24 3.425 1.499 -7.882 1.00 0.00 C ATOM 1098 O LEU B 24 2.315 1.951 -8.153 1.00 0.00 O ATOM 1099 CB LEU B 24 3.730 2.495 -5.582 1.00 0.00 C ATOM 1100 CG LEU B 24 3.962 1.412 -4.523 1.00 0.00 C ATOM 1101 CD1 LEU B 24 2.907 1.501 -3.431 1.00 0.00 C ATOM 1102 CD2 LEU B 24 3.980 0.025 -5.135 1.00 0.00 C ATOM 0 H LEU B 24 4.009 4.250 -7.458 1.00 0.00 H new ATOM 0 HA LEU B 24 5.269 1.644 -6.816 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.101 3.442 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.656 2.609 -5.726 1.00 0.00 H new ATOM 0 HG LEU B 24 4.942 1.588 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.087 0.725 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU B 24 2.959 2.480 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.918 1.363 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.147 -0.716 -4.353 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.025 -0.170 -5.622 1.00 0.00 H new ATOM 0 HD23 LEU B 24 4.782 -0.038 -5.871 1.00 0.00 H new ATOM 1114 N TYR B 25 3.870 0.354 -8.375 1.00 0.00 N ATOM 1115 CA TYR B 25 3.065 -0.456 -9.276 1.00 0.00 C ATOM 1116 C TYR B 25 2.578 -1.714 -8.569 1.00 0.00 C ATOM 1117 O TYR B 25 3.358 -2.614 -8.247 1.00 0.00 O ATOM 1118 CB TYR B 25 3.865 -0.810 -10.531 1.00 0.00 C ATOM 1119 CG TYR B 25 4.316 0.410 -11.301 1.00 0.00 C ATOM 1120 CD1 TYR B 25 3.438 1.090 -12.133 1.00 0.00 C ATOM 1121 CD2 TYR B 25 5.613 0.893 -11.179 1.00 0.00 C ATOM 1122 CE1 TYR B 25 3.838 2.216 -12.824 1.00 0.00 C ATOM 1123 CE2 TYR B 25 6.022 2.017 -11.870 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.130 2.677 -12.690 1.00 0.00 C ATOM 1125 OH TYR B 25 5.528 3.807 -13.370 1.00 0.00 O ATOM 0 H TYR B 25 4.789 -0.037 -8.165 1.00 0.00 H new ATOM 0 HA TYR B 25 2.192 0.122 -9.580 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.738 -1.398 -10.246 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.255 -1.439 -11.180 1.00 0.00 H new ATOM 0 HD1 TYR B 25 2.425 0.732 -12.242 1.00 0.00 H new ATOM 0 HD2 TYR B 25 6.312 0.382 -10.534 1.00 0.00 H new ATOM 0 HE1 TYR B 25 3.142 2.734 -13.467 1.00 0.00 H new ATOM 0 HE2 TYR B 25 7.035 2.377 -11.769 1.00 0.00 H new ATOM 0 HH TYR B 25 6.467 3.998 -13.166 1.00 0.00 H new ATOM 1135 N LEU B 26 1.283 -1.748 -8.308 1.00 0.00 N ATOM 1136 CA LEU B 26 0.657 -2.867 -7.635 1.00 0.00 C ATOM 1137 C LEU B 26 0.242 -3.945 -8.613 1.00 0.00 C ATOM 1138 O LEU B 26 -0.771 -3.809 -9.299 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.579 -2.396 -6.870 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.301 -1.778 -5.509 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.576 -1.236 -4.900 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.308 -2.807 -4.589 1.00 0.00 C ATOM 0 H LEU B 26 0.637 -0.999 -8.558 1.00 0.00 H new ATOM 0 HA LEU B 26 1.392 -3.283 -6.946 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.109 -1.666 -7.482 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.249 -3.245 -6.736 1.00 0.00 H new ATOM 0 HG LEU B 26 0.400 -0.954 -5.641 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.357 -0.798 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.996 -0.473 -5.555 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.295 -2.046 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.504 -2.355 -3.617 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.383 -3.642 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.243 -3.169 -5.016 1.00 0.00 H new ATOM 1154 N MET B 27 1.025 -5.002 -8.691 1.00 0.00 N ATOM 1155 CA MET B 27 0.691 -6.112 -9.556 1.00 0.00 C ATOM 1156 C MET B 27 -0.118 -7.117 -8.754 1.00 0.00 C ATOM 1157 O MET B 27 -0.453 -6.859 -7.595 1.00 0.00 O ATOM 1158 CB MET B 27 1.944 -6.761 -10.150 1.00 0.00 C ATOM 1159 CG MET B 27 2.374 -6.149 -11.473 1.00 0.00 C ATOM 1160 SD MET B 27 3.043 -4.484 -11.294 1.00 0.00 S ATOM 1161 CE MET B 27 4.681 -4.854 -10.677 1.00 0.00 C ATOM 0 H MET B 27 1.893 -5.114 -8.168 1.00 0.00 H new ATOM 0 HA MET B 27 0.101 -5.749 -10.398 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.762 -6.674 -9.435 1.00 0.00 H new ATOM 0 HB3 MET B 27 1.759 -7.825 -10.294 1.00 0.00 H new ATOM 0 HG2 MET B 27 3.125 -6.789 -11.936 1.00 0.00 H new ATOM 0 HG3 MET B 27 1.519 -6.121 -12.149 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.397 -4.150 -11.101 1.00 0.00 H new ATOM 0 HE2 MET B 27 4.688 -4.768 -9.590 1.00 0.00 H new ATOM 0 HE3 MET B 27 4.957 -5.869 -10.963 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.443 -8.245 -9.350 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.225 -9.253 -8.658 1.00 0.00 C ATOM 1173 C ALA B 28 -0.338 -10.113 -7.764 1.00 0.00 C ATOM 1174 O ALA B 28 -0.585 -10.255 -6.568 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.965 -10.121 -9.663 1.00 0.00 C ATOM 0 H ALA B 28 -0.181 -8.488 -10.305 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.953 -8.747 -8.024 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.549 -10.874 -9.133 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.632 -9.499 -10.260 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -1.246 -10.614 -10.317 1.00 0.00 H new ATOM 1181 N GLU B 29 0.718 -10.651 -8.350 1.00 0.00 N ATOM 1182 CA GLU B 29 1.637 -11.525 -7.639 1.00 0.00 C ATOM 1183 C GLU B 29 2.576 -10.765 -6.705 1.00 0.00 C ATOM 1184 O GLU B 29 2.970 -11.288 -5.657 1.00 0.00 O ATOM 1185 CB GLU B 29 2.461 -12.332 -8.644 1.00 0.00 C ATOM 1186 CG GLU B 29 1.624 -12.971 -9.741 1.00 0.00 C ATOM 1187 CD GLU B 29 1.556 -12.133 -11.005 1.00 0.00 C ATOM 1188 OE1 GLU B 29 1.224 -10.931 -10.914 1.00 0.00 O ATOM 1189 OE2 GLU B 29 1.827 -12.683 -12.093 1.00 0.00 O ATOM 0 H GLU B 29 0.962 -10.496 -9.328 1.00 0.00 H new ATOM 0 HA GLU B 29 1.032 -12.187 -7.020 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.205 -11.679 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.005 -13.112 -8.112 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.039 -13.949 -9.983 1.00 0.00 H new ATOM 0 HG3 GLU B 29 0.613 -13.137 -9.368 1.00 0.00 H new ATOM 1196 N ARG B 30 2.937 -9.538 -7.059 1.00 0.00 N ATOM 1197 CA ARG B 30 3.855 -8.778 -6.226 1.00 0.00 C ATOM 1198 C ARG B 30 3.672 -7.277 -6.373 1.00 0.00 C ATOM 1199 O ARG B 30 3.112 -6.793 -7.352 1.00 0.00 O ATOM 1200 CB ARG B 30 5.302 -9.146 -6.569 1.00 0.00 C ATOM 1201 CG ARG B 30 5.688 -8.864 -8.014 1.00 0.00 C ATOM 1202 CD ARG B 30 7.151 -9.182 -8.266 1.00 0.00 C ATOM 1203 NE ARG B 30 7.533 -8.951 -9.657 1.00 0.00 N ATOM 1204 CZ ARG B 30 8.746 -9.193 -10.153 1.00 0.00 C ATOM 1205 NH1 ARG B 30 9.720 -9.621 -9.358 1.00 0.00 N ATOM 1206 NH2 ARG B 30 8.984 -8.995 -11.443 1.00 0.00 N ATOM 0 H ARG B 30 2.615 -9.057 -7.899 1.00 0.00 H new ATOM 0 HA ARG B 30 3.632 -9.039 -5.191 1.00 0.00 H new ATOM 0 HB2 ARG B 30 5.972 -8.593 -5.911 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.455 -10.205 -6.363 1.00 0.00 H new ATOM 0 HG2 ARG B 30 5.064 -9.458 -8.682 1.00 0.00 H new ATOM 0 HG3 ARG B 30 5.496 -7.816 -8.246 1.00 0.00 H new ATOM 0 HD2 ARG B 30 7.772 -8.569 -7.613 1.00 0.00 H new ATOM 0 HD3 ARG B 30 7.345 -10.222 -8.005 1.00 0.00 H new ATOM 0 HE ARG B 30 6.825 -8.580 -10.290 1.00 0.00 H new ATOM 0 HH11 ARG B 30 9.541 -9.766 -8.364 1.00 0.00 H new ATOM 0 HH12 ARG B 30 10.647 -9.805 -9.741 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.239 -8.658 -12.053 1.00 0.00 H new ATOM 0 HH22 ARG B 30 9.912 -9.180 -11.825 1.00 0.00 H new ATOM 1220 N ILE B 31 4.143 -6.557 -5.372 1.00 0.00 N ATOM 1221 CA ILE B 31 4.092 -5.110 -5.365 1.00 0.00 C ATOM 1222 C ILE B 31 5.492 -4.597 -5.689 1.00 0.00 C ATOM 1223 O ILE B 31 6.456 -4.917 -4.989 1.00 0.00 O ATOM 1224 CB ILE B 31 3.607 -4.563 -3.996 1.00 0.00 C ATOM 1225 CG1 ILE B 31 3.923 -3.073 -3.857 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.222 -5.347 -2.844 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.397 -2.454 -2.579 1.00 0.00 C ATOM 0 H ILE B 31 4.572 -6.962 -4.540 1.00 0.00 H new ATOM 0 HA ILE B 31 3.375 -4.762 -6.109 1.00 0.00 H new ATOM 0 HB ILE B 31 2.525 -4.688 -3.955 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.003 -2.935 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.500 -2.540 -4.709 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.865 -4.942 -1.897 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.934 -6.395 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.308 -5.265 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.660 -1.397 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.313 -2.559 -2.543 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.839 -2.960 -1.721 1.00 0.00 H new ATOM 1239 N ALA B 32 5.618 -3.840 -6.763 1.00 0.00 N ATOM 1240 CA ALA B 32 6.917 -3.335 -7.161 1.00 0.00 C ATOM 1241 C ALA B 32 6.937 -1.820 -7.200 1.00 0.00 C ATOM 1242 O ALA B 32 5.924 -1.176 -7.463 1.00 0.00 O ATOM 1243 CB ALA B 32 7.320 -3.908 -8.509 1.00 0.00 C ATOM 0 H ALA B 32 4.845 -3.564 -7.369 1.00 0.00 H new ATOM 0 HA ALA B 32 7.641 -3.656 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.298 -3.518 -8.792 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.368 -4.995 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.584 -3.622 -9.260 1.00 0.00 H new ATOM 1249 N TRP B 33 8.098 -1.264 -6.938 1.00 0.00 N ATOM 1250 CA TRP B 33 8.282 0.169 -6.932 1.00 0.00 C ATOM 1251 C TRP B 33 9.545 0.518 -7.708 1.00 0.00 C ATOM 1252 O TRP B 33 10.573 -0.155 -7.581 1.00 0.00 O ATOM 1253 CB TRP B 33 8.357 0.664 -5.481 1.00 0.00 C ATOM 1254 CG TRP B 33 8.679 2.121 -5.330 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.797 3.153 -5.192 1.00 0.00 C ATOM 1256 CD2 TRP B 33 9.982 2.700 -5.284 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.478 4.340 -5.068 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.823 4.084 -5.123 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.270 2.175 -5.368 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 10.907 4.951 -5.042 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.345 3.033 -5.290 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.159 4.409 -5.128 1.00 0.00 C ATOM 0 H TRP B 33 8.943 -1.794 -6.723 1.00 0.00 H new ATOM 0 HA TRP B 33 7.440 0.663 -7.416 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.402 0.465 -4.994 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.112 0.083 -4.952 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.722 3.052 -5.182 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.052 5.260 -4.954 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.423 1.113 -5.492 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.765 6.014 -4.916 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.347 2.636 -5.355 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.021 5.057 -5.070 1.00 0.00 H new ATOM 1273 N ALA B 34 9.453 1.546 -8.529 1.00 0.00 N ATOM 1274 CA ALA B 34 10.579 1.992 -9.331 1.00 0.00 C ATOM 1275 C ALA B 34 10.595 3.504 -9.388 1.00 0.00 C ATOM 1276 O ALA B 34 9.541 4.120 -9.504 1.00 0.00 O ATOM 1277 CB ALA B 34 10.500 1.413 -10.733 1.00 0.00 C ATOM 0 H ALA B 34 8.602 2.093 -8.660 1.00 0.00 H new ATOM 0 HA ALA B 34 11.502 1.641 -8.869 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.352 1.759 -11.318 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.515 0.324 -10.678 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.576 1.740 -11.210 1.00 0.00 H new ATOM 1283 N PRO B 35 11.782 4.119 -9.289 1.00 0.00 N ATOM 1284 CA PRO B 35 11.927 5.578 -9.327 1.00 0.00 C ATOM 1285 C PRO B 35 11.181 6.211 -10.505 1.00 0.00 C ATOM 1286 O PRO B 35 11.167 5.668 -11.612 1.00 0.00 O ATOM 1287 CB PRO B 35 13.436 5.774 -9.453 1.00 0.00 C ATOM 1288 CG PRO B 35 14.027 4.563 -8.820 1.00 0.00 C ATOM 1289 CD PRO B 35 13.080 3.438 -9.124 1.00 0.00 C ATOM 0 HA PRO B 35 11.499 6.060 -8.448 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.738 5.863 -10.496 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.761 6.684 -8.948 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.020 4.357 -9.221 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.139 4.699 -7.744 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.370 2.902 -10.027 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.051 2.708 -8.315 1.00 0.00 H new ATOM 1411 N ILE B 43 12.640 -1.894 -6.185 1.00 0.00 N ATOM 1412 CA ILE B 43 11.876 -2.526 -5.119 1.00 0.00 C ATOM 1413 C ILE B 43 10.849 -3.513 -5.677 1.00 0.00 C ATOM 1414 O ILE B 43 10.068 -3.175 -6.567 1.00 0.00 O ATOM 1415 CB ILE B 43 11.175 -1.451 -4.253 1.00 0.00 C ATOM 1416 CG1 ILE B 43 12.125 -0.964 -3.156 1.00 0.00 C ATOM 1417 CG2 ILE B 43 9.877 -1.971 -3.649 1.00 0.00 C ATOM 1418 CD1 ILE B 43 11.562 0.160 -2.317 1.00 0.00 C ATOM 0 HA ILE B 43 12.572 -3.087 -4.495 1.00 0.00 H new ATOM 0 HB ILE B 43 10.917 -0.613 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE B 43 12.373 -1.802 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.056 -0.631 -3.616 1.00 0.00 H new ATOM 0 HG21 ILE B 43 9.415 -1.187 -3.048 1.00 0.00 H new ATOM 0 HG22 ILE B 43 9.196 -2.265 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE B 43 10.089 -2.834 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE B 43 12.292 0.451 -1.562 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.340 1.015 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE B 43 10.647 -0.174 -1.828 1.00 0.00 H new ATOM 1430 N SER B 44 10.885 -4.742 -5.174 1.00 0.00 N ATOM 1431 CA SER B 44 9.958 -5.777 -5.601 1.00 0.00 C ATOM 1432 C SER B 44 9.667 -6.740 -4.444 1.00 0.00 C ATOM 1433 O SER B 44 10.545 -7.491 -4.022 1.00 0.00 O ATOM 1434 CB SER B 44 10.540 -6.530 -6.800 1.00 0.00 C ATOM 1435 OG SER B 44 9.574 -7.374 -7.398 1.00 0.00 O ATOM 0 H SER B 44 11.553 -5.045 -4.465 1.00 0.00 H new ATOM 0 HA SER B 44 9.018 -5.314 -5.902 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.907 -5.816 -7.537 1.00 0.00 H new ATOM 0 HB3 SER B 44 11.395 -7.124 -6.478 1.00 0.00 H new ATOM 0 HG SER B 44 9.554 -7.214 -8.365 1.00 0.00 H new ATOM 1441 N HIS B 45 8.440 -6.709 -3.929 1.00 0.00 N ATOM 1442 CA HIS B 45 8.050 -7.579 -2.817 1.00 0.00 C ATOM 1443 C HIS B 45 6.835 -8.407 -3.193 1.00 0.00 C ATOM 1444 O HIS B 45 5.837 -7.880 -3.676 1.00 0.00 O ATOM 1445 CB HIS B 45 7.744 -6.762 -1.551 1.00 0.00 C ATOM 1446 CG HIS B 45 8.781 -5.731 -1.220 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.844 -5.940 -0.368 1.00 0.00 N ATOM 1448 CD2 HIS B 45 8.906 -4.459 -1.666 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.567 -4.814 -0.330 1.00 0.00 C ATOM 1450 NE2 HIS B 45 10.040 -3.884 -1.102 1.00 0.00 N ATOM 0 H HIS B 45 7.698 -6.093 -4.262 1.00 0.00 H new ATOM 0 HA HIS B 45 8.889 -8.242 -2.607 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.781 -6.266 -1.676 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.644 -7.444 -0.707 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.231 -3.968 -2.352 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.465 -4.684 0.256 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.391 -2.939 -1.254 1.00 0.00 H new ATOM 1458 N MET B 46 6.928 -9.707 -2.980 1.00 0.00 N ATOM 1459 CA MET B 46 5.828 -10.605 -3.289 1.00 0.00 C ATOM 1460 C MET B 46 4.762 -10.495 -2.211 1.00 0.00 C ATOM 1461 O MET B 46 5.094 -10.429 -1.029 1.00 0.00 O ATOM 1462 CB MET B 46 6.315 -12.057 -3.375 1.00 0.00 C ATOM 1463 CG MET B 46 7.562 -12.248 -4.229 1.00 0.00 C ATOM 1464 SD MET B 46 7.289 -11.878 -5.974 1.00 0.00 S ATOM 1465 CE MET B 46 6.050 -13.101 -6.402 1.00 0.00 C ATOM 0 H MET B 46 7.754 -10.165 -2.594 1.00 0.00 H new ATOM 0 HA MET B 46 5.412 -10.319 -4.255 1.00 0.00 H new ATOM 0 HB2 MET B 46 6.519 -12.420 -2.368 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.513 -12.674 -3.780 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.357 -11.607 -3.848 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.907 -13.277 -4.132 1.00 0.00 H new ATOM 0 HE1 MET B 46 6.037 -13.243 -7.483 1.00 0.00 H new ATOM 0 HE2 MET B 46 6.289 -14.047 -5.915 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.070 -12.758 -6.069 1.00 0.00 H new ATOM 1475 N TYR B 47 3.492 -10.455 -2.618 1.00 0.00 N ATOM 1476 CA TYR B 47 2.379 -10.374 -1.664 1.00 0.00 C ATOM 1477 C TYR B 47 2.525 -11.476 -0.627 1.00 0.00 C ATOM 1478 O TYR B 47 2.300 -11.273 0.565 1.00 0.00 O ATOM 1479 CB TYR B 47 1.031 -10.536 -2.375 1.00 0.00 C ATOM 1480 CG TYR B 47 0.518 -9.286 -3.055 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.217 -8.704 -4.100 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.678 -8.701 -2.661 1.00 0.00 C ATOM 1483 CE1 TYR B 47 0.744 -7.573 -4.733 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -1.161 -7.571 -3.292 1.00 0.00 C ATOM 1485 CZ TYR B 47 -0.445 -7.012 -4.328 1.00 0.00 C ATOM 1486 OH TYR B 47 -0.922 -5.892 -4.967 1.00 0.00 O ATOM 0 H TYR B 47 3.207 -10.477 -3.597 1.00 0.00 H new ATOM 0 HA TYR B 47 2.407 -9.394 -1.187 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.122 -11.327 -3.120 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.290 -10.867 -1.647 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.149 -9.143 -4.425 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -1.240 -9.137 -1.848 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.305 -7.130 -5.543 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -2.094 -7.129 -2.975 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.865 -6.020 -5.937 1.00 0.00 H new ATOM 1496 N ALA B 48 2.902 -12.643 -1.125 1.00 0.00 N ATOM 1497 CA ALA B 48 3.126 -13.827 -0.316 1.00 0.00 C ATOM 1498 C ALA B 48 3.940 -13.562 0.953 1.00 0.00 C ATOM 1499 O ALA B 48 3.555 -14.003 2.034 1.00 0.00 O ATOM 1500 CB ALA B 48 3.839 -14.869 -1.163 1.00 0.00 C ATOM 0 H ALA B 48 3.063 -12.795 -2.121 1.00 0.00 H new ATOM 0 HA ALA B 48 2.148 -14.178 0.014 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.014 -15.765 -0.567 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.222 -15.122 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.793 -14.469 -1.505 1.00 0.00 H new ATOM 1506 N ASP B 49 5.040 -12.826 0.827 1.00 0.00 N ATOM 1507 CA ASP B 49 5.928 -12.575 1.959 1.00 0.00 C ATOM 1508 C ASP B 49 5.520 -11.387 2.820 1.00 0.00 C ATOM 1509 O ASP B 49 6.070 -11.195 3.908 1.00 0.00 O ATOM 1510 CB ASP B 49 7.346 -12.390 1.460 1.00 0.00 C ATOM 1511 CG ASP B 49 8.110 -13.696 1.402 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.750 -14.566 0.579 1.00 0.00 O ATOM 1513 OD2 ASP B 49 9.067 -13.864 2.185 1.00 0.00 O ATOM 0 H ASP B 49 5.338 -12.393 -0.047 1.00 0.00 H new ATOM 0 HA ASP B 49 5.856 -13.450 2.605 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.324 -11.940 0.467 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.871 -11.693 2.114 1.00 0.00 H new ATOM 1518 N ILE B 50 4.574 -10.582 2.371 1.00 0.00 N ATOM 1519 CA ILE B 50 4.153 -9.451 3.180 1.00 0.00 C ATOM 1520 C ILE B 50 3.254 -9.945 4.297 1.00 0.00 C ATOM 1521 O ILE B 50 2.071 -10.216 4.095 1.00 0.00 O ATOM 1522 CB ILE B 50 3.436 -8.351 2.381 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.037 -8.230 0.982 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.549 -7.023 3.122 1.00 0.00 C ATOM 1525 CD1 ILE B 50 3.681 -6.939 0.289 1.00 0.00 C ATOM 0 H ILE B 50 4.094 -10.684 1.477 1.00 0.00 H new ATOM 0 HA ILE B 50 5.058 -8.994 3.580 1.00 0.00 H new ATOM 0 HB ILE B 50 2.383 -8.615 2.280 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.122 -8.309 1.052 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.695 -9.067 0.374 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.040 -6.245 2.554 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.088 -7.115 4.105 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.600 -6.759 3.238 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.140 -6.918 -0.699 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.598 -6.867 0.188 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.047 -6.097 0.877 1.00 0.00 H new ATOM 1537 N LYS B 51 3.832 -10.046 5.481 1.00 0.00 N ATOM 1538 CA LYS B 51 3.133 -10.548 6.649 1.00 0.00 C ATOM 1539 C LYS B 51 2.063 -9.566 7.120 1.00 0.00 C ATOM 1540 O LYS B 51 0.964 -9.971 7.501 1.00 0.00 O ATOM 1541 CB LYS B 51 4.145 -10.803 7.767 1.00 0.00 C ATOM 1542 CG LYS B 51 3.527 -11.144 9.113 1.00 0.00 C ATOM 1543 CD LYS B 51 4.583 -11.154 10.208 1.00 0.00 C ATOM 1544 CE LYS B 51 3.968 -10.970 11.585 1.00 0.00 C ATOM 1545 NZ LYS B 51 3.736 -12.267 12.273 1.00 0.00 N ATOM 0 H LYS B 51 4.801 -9.782 5.659 1.00 0.00 H new ATOM 0 HA LYS B 51 2.632 -11.479 6.384 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.801 -11.619 7.466 1.00 0.00 H new ATOM 0 HB3 LYS B 51 4.770 -9.917 7.883 1.00 0.00 H new ATOM 0 HG2 LYS B 51 2.752 -10.417 9.356 1.00 0.00 H new ATOM 0 HG3 LYS B 51 3.044 -12.120 9.059 1.00 0.00 H new ATOM 0 HD2 LYS B 51 5.130 -12.096 10.177 1.00 0.00 H new ATOM 0 HD3 LYS B 51 5.306 -10.359 10.023 1.00 0.00 H new ATOM 0 HE2 LYS B 51 4.625 -10.349 12.195 1.00 0.00 H new ATOM 0 HE3 LYS B 51 3.022 -10.436 11.491 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 3.316 -12.094 13.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 3.089 -12.850 11.705 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 4.641 -12.766 12.388 1.00 0.00 H new ATOM 1559 N CYS B 52 2.382 -8.284 7.042 1.00 0.00 N ATOM 1560 CA CYS B 52 1.488 -7.219 7.486 1.00 0.00 C ATOM 1561 C CYS B 52 1.872 -5.930 6.777 1.00 0.00 C ATOM 1562 O CYS B 52 2.934 -5.850 6.159 1.00 0.00 O ATOM 1563 CB CYS B 52 1.610 -7.012 9.004 1.00 0.00 C ATOM 1564 SG CYS B 52 1.116 -8.439 10.000 1.00 0.00 S ATOM 0 H CYS B 52 3.270 -7.949 6.668 1.00 0.00 H new ATOM 0 HA CYS B 52 0.460 -7.494 7.250 1.00 0.00 H new ATOM 0 HB2 CYS B 52 2.644 -6.760 9.241 1.00 0.00 H new ATOM 0 HB3 CYS B 52 0.999 -6.156 9.291 1.00 0.00 H new ATOM 0 HG CYS B 52 0.755 -9.411 9.216 1.00 0.00 H new ATOM 1570 N GLN B 53 1.019 -4.935 6.854 1.00 0.00 N ATOM 1571 CA GLN B 53 1.298 -3.648 6.250 1.00 0.00 C ATOM 1572 C GLN B 53 0.742 -2.597 7.171 1.00 0.00 C ATOM 1573 O GLN B 53 -0.189 -2.865 7.887 1.00 0.00 O ATOM 1574 CB GLN B 53 0.677 -3.527 4.851 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.725 -2.948 4.853 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.454 -3.164 3.550 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.404 -2.334 2.650 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -2.149 -4.281 3.453 1.00 0.00 N ATOM 0 H GLN B 53 0.120 -4.991 7.332 1.00 0.00 H new ATOM 0 HA GLN B 53 2.373 -3.525 6.119 1.00 0.00 H new ATOM 0 HB2 GLN B 53 1.318 -2.900 4.232 1.00 0.00 H new ATOM 0 HB3 GLN B 53 0.652 -4.513 4.388 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -1.298 -3.400 5.663 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -0.670 -1.879 5.060 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.161 -4.943 4.229 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.674 -4.483 2.602 1.00 0.00 H new ATOM 1587 N LYS B 54 1.322 -1.435 7.214 1.00 0.00 N ATOM 1588 CA LYS B 54 0.800 -0.405 8.077 1.00 0.00 C ATOM 1589 C LYS B 54 0.722 0.900 7.311 1.00 0.00 C ATOM 1590 O LYS B 54 1.372 1.057 6.286 1.00 0.00 O ATOM 1591 CB LYS B 54 1.636 -0.256 9.339 1.00 0.00 C ATOM 1592 CG LYS B 54 2.078 -1.561 9.986 1.00 0.00 C ATOM 1593 CD LYS B 54 2.703 -1.305 11.352 1.00 0.00 C ATOM 1594 CE LYS B 54 3.055 -2.600 12.067 1.00 0.00 C ATOM 1595 NZ LYS B 54 3.255 -2.389 13.527 1.00 0.00 N ATOM 0 H LYS B 54 2.146 -1.173 6.672 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.202 -0.690 8.397 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.523 0.330 9.100 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.063 0.316 10.069 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.222 -2.227 10.092 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.797 -2.066 9.341 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.602 -0.701 11.232 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.011 -0.728 11.965 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.260 -3.329 11.911 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.962 -3.020 11.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.850 -3.151 13.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.722 -1.473 13.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.333 -2.395 14.008 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.072 1.831 7.797 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.266 3.100 7.109 1.00 0.00 C ATOM 1611 C ILE B 55 -0.167 4.286 8.069 1.00 0.00 C ATOM 1612 O ILE B 55 -0.842 4.314 9.077 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.656 3.076 6.450 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.727 2.890 7.528 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.726 1.945 5.438 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.950 2.135 7.084 1.00 0.00 C ATOM 0 H ILE B 55 -0.596 1.737 8.667 1.00 0.00 H new ATOM 0 HA ILE B 55 0.518 3.224 6.362 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.831 4.019 5.933 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.282 2.367 8.374 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.035 3.872 7.887 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.712 1.932 4.974 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -0.966 2.095 4.671 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.550 0.995 5.942 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.650 2.055 7.916 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.426 2.666 6.259 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.662 1.137 6.755 1.00 0.00 H new ATOM 1628 N SER B 56 0.667 5.270 7.770 1.00 0.00 N ATOM 1629 CA SER B 56 0.798 6.409 8.664 1.00 0.00 C ATOM 1630 C SER B 56 -0.347 7.382 8.430 1.00 0.00 C ATOM 1631 O SER B 56 -0.453 7.997 7.351 1.00 0.00 O ATOM 1632 CB SER B 56 2.165 7.088 8.526 1.00 0.00 C ATOM 1633 OG SER B 56 2.484 7.343 7.180 1.00 0.00 O ATOM 0 H SER B 56 1.251 5.304 6.935 1.00 0.00 H new ATOM 0 HA SER B 56 0.739 6.051 9.692 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.165 8.024 9.084 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.933 6.454 8.969 1.00 0.00 H new ATOM 0 HG SER B 56 2.467 8.309 7.017 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.224 7.473 9.454 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.433 8.310 9.478 1.00 0.00 C ATOM 1641 C PRO B 57 -2.148 9.800 9.574 1.00 0.00 C ATOM 1642 O PRO B 57 -1.005 10.217 9.793 1.00 0.00 O ATOM 1643 CB PRO B 57 -3.153 7.862 10.750 1.00 0.00 C ATOM 1644 CG PRO B 57 -2.071 7.365 11.633 1.00 0.00 C ATOM 1645 CD PRO B 57 -1.075 6.728 10.719 1.00 0.00 C ATOM 0 HA PRO B 57 -2.999 8.186 8.555 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.694 8.688 11.212 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.883 7.081 10.539 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.620 8.180 12.199 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.454 6.647 12.358 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -0.062 6.810 11.113 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -1.280 5.666 10.583 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.202 10.591 9.371 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.118 12.043 9.467 1.00 0.00 C ATOM 1655 C GLU B 58 -2.490 12.444 10.802 1.00 0.00 C ATOM 1656 O GLU B 58 -2.581 11.710 11.792 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.512 12.662 9.330 1.00 0.00 C ATOM 1658 CG GLU B 58 -4.604 13.723 8.245 1.00 0.00 C ATOM 1659 CD GLU B 58 -3.893 15.007 8.626 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -2.644 15.007 8.649 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -4.582 16.005 8.909 1.00 0.00 O ATOM 0 H GLU B 58 -4.132 10.243 9.137 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.490 12.415 8.658 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.232 11.872 9.115 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.799 13.104 10.284 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -4.173 13.333 7.323 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.653 13.939 8.041 1.00 0.00 H new ATOM 1668 N GLY B 59 -1.883 13.610 10.829 1.00 0.00 N ATOM 1669 CA GLY B 59 -1.210 14.073 12.020 1.00 0.00 C ATOM 1670 C GLY B 59 0.271 14.190 11.759 1.00 0.00 C ATOM 1671 O GLY B 59 0.968 15.011 12.355 1.00 0.00 O ATOM 0 H GLY B 59 -1.842 14.254 10.039 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -1.612 15.040 12.323 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.390 13.381 12.842 1.00 0.00 H new ATOM 1675 N LYS B 60 0.750 13.341 10.860 1.00 0.00 N ATOM 1676 CA LYS B 60 2.140 13.359 10.456 1.00 0.00 C ATOM 1677 C LYS B 60 2.251 14.221 9.207 1.00 0.00 C ATOM 1678 O LYS B 60 1.290 14.346 8.455 1.00 0.00 O ATOM 1679 CB LYS B 60 2.671 11.944 10.177 1.00 0.00 C ATOM 1680 CG LYS B 60 3.253 11.238 11.399 1.00 0.00 C ATOM 1681 CD LYS B 60 4.249 10.153 10.993 1.00 0.00 C ATOM 1682 CE LYS B 60 4.442 9.109 12.089 1.00 0.00 C ATOM 1683 NZ LYS B 60 5.475 9.499 13.093 1.00 0.00 N ATOM 0 H LYS B 60 0.187 12.628 10.396 1.00 0.00 H new ATOM 0 HA LYS B 60 2.746 13.769 11.264 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.860 11.337 9.774 1.00 0.00 H new ATOM 0 HB3 LYS B 60 3.439 12.003 9.406 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.748 11.967 12.041 1.00 0.00 H new ATOM 0 HG3 LYS B 60 2.447 10.794 11.983 1.00 0.00 H new ATOM 0 HD2 LYS B 60 3.900 9.663 10.084 1.00 0.00 H new ATOM 0 HD3 LYS B 60 5.209 10.613 10.758 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.492 8.946 12.598 1.00 0.00 H new ATOM 0 HE3 LYS B 60 4.727 8.161 11.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 5.314 8.977 13.978 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 6.421 9.272 12.724 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.412 10.521 13.277 1.00 0.00 H new ATOM 1697 N ALA B 61 3.416 14.801 8.982 1.00 0.00 N ATOM 1698 CA ALA B 61 3.630 15.667 7.825 1.00 0.00 C ATOM 1699 C ALA B 61 3.579 14.904 6.504 1.00 0.00 C ATOM 1700 O ALA B 61 3.679 15.506 5.436 1.00 0.00 O ATOM 1701 CB ALA B 61 4.954 16.403 7.962 1.00 0.00 C ATOM 0 H ALA B 61 4.233 14.691 9.583 1.00 0.00 H new ATOM 0 HA ALA B 61 2.812 16.388 7.805 1.00 0.00 H new ATOM 0 HB1 ALA B 61 5.104 17.046 7.095 1.00 0.00 H new ATOM 0 HB2 ALA B 61 4.940 17.011 8.866 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.768 15.680 8.023 1.00 0.00 H new ATOM 1707 N LYS B 62 3.443 13.586 6.568 1.00 0.00 N ATOM 1708 CA LYS B 62 3.402 12.783 5.359 1.00 0.00 C ATOM 1709 C LYS B 62 2.602 11.495 5.547 1.00 0.00 C ATOM 1710 O LYS B 62 2.860 10.712 6.465 1.00 0.00 O ATOM 1711 CB LYS B 62 4.828 12.464 4.908 1.00 0.00 C ATOM 1712 CG LYS B 62 5.744 12.026 6.038 1.00 0.00 C ATOM 1713 CD LYS B 62 7.203 12.286 5.709 1.00 0.00 C ATOM 1714 CE LYS B 62 8.107 11.824 6.836 1.00 0.00 C ATOM 1715 NZ LYS B 62 9.537 12.114 6.559 1.00 0.00 N ATOM 0 H LYS B 62 3.360 13.057 7.436 1.00 0.00 H new ATOM 0 HA LYS B 62 2.893 13.364 4.590 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.794 11.677 4.155 1.00 0.00 H new ATOM 0 HB3 LYS B 62 5.253 13.346 4.429 1.00 0.00 H new ATOM 0 HG2 LYS B 62 5.476 12.558 6.951 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.599 10.964 6.234 1.00 0.00 H new ATOM 0 HD2 LYS B 62 7.470 11.767 4.788 1.00 0.00 H new ATOM 0 HD3 LYS B 62 7.355 13.350 5.530 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.811 12.316 7.763 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.978 10.752 6.988 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 10.119 11.782 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 9.828 11.625 5.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.667 13.139 6.440 1.00 0.00 H new ATOM 1729 N ILE B 63 1.621 11.303 4.673 1.00 0.00 N ATOM 1730 CA ILE B 63 0.781 10.110 4.687 1.00 0.00 C ATOM 1731 C ILE B 63 1.548 8.987 3.995 1.00 0.00 C ATOM 1732 O ILE B 63 1.981 9.146 2.852 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.565 10.365 3.967 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.265 11.595 4.554 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.472 9.153 4.071 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.052 12.861 3.751 1.00 0.00 C ATOM 0 H ILE B 63 1.385 11.968 3.936 1.00 0.00 H new ATOM 0 HA ILE B 63 0.550 9.837 5.717 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.353 10.550 2.914 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.334 11.395 4.622 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -0.905 11.756 5.570 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.412 9.357 3.557 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.985 8.294 3.610 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.672 8.937 5.121 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.578 13.688 4.229 1.00 0.00 H new ATOM 0 HD12 ILE B 63 0.013 13.087 3.704 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.438 12.721 2.741 1.00 0.00 H new ATOM 1748 N GLN B 64 1.722 7.852 4.663 1.00 0.00 N ATOM 1749 CA GLN B 64 2.534 6.775 4.080 1.00 0.00 C ATOM 1750 C GLN B 64 1.990 5.368 4.342 1.00 0.00 C ATOM 1751 O GLN B 64 1.024 5.173 5.078 1.00 0.00 O ATOM 1752 CB GLN B 64 3.966 6.831 4.613 1.00 0.00 C ATOM 1753 CG GLN B 64 4.610 8.204 4.634 1.00 0.00 C ATOM 1754 CD GLN B 64 6.023 8.147 5.180 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.489 9.074 5.836 1.00 0.00 O ATOM 1756 NE2 GLN B 64 6.718 7.052 4.914 1.00 0.00 N ATOM 0 H GLN B 64 1.328 7.650 5.582 1.00 0.00 H new ATOM 0 HA GLN B 64 2.500 6.950 3.005 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.972 6.432 5.627 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.585 6.169 4.007 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.625 8.615 3.625 1.00 0.00 H new ATOM 0 HG3 GLN B 64 4.010 8.879 5.244 1.00 0.00 H new ATOM 0 HE21 GLN B 64 6.298 6.302 4.365 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.674 6.959 5.258 1.00 0.00 H new ATOM 1765 N LEU B 65 2.632 4.401 3.682 1.00 0.00 N ATOM 1766 CA LEU B 65 2.319 2.980 3.791 1.00 0.00 C ATOM 1767 C LEU B 65 3.600 2.174 4.066 1.00 0.00 C ATOM 1768 O LEU B 65 4.507 2.175 3.238 1.00 0.00 O ATOM 1769 CB LEU B 65 1.736 2.504 2.468 1.00 0.00 C ATOM 1770 CG LEU B 65 1.374 1.021 2.412 1.00 0.00 C ATOM 1771 CD1 LEU B 65 -0.064 0.794 2.833 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.632 0.462 1.024 1.00 0.00 C ATOM 0 H LEU B 65 3.403 4.593 3.042 1.00 0.00 H new ATOM 0 HA LEU B 65 1.611 2.834 4.607 1.00 0.00 H new ATOM 0 HB2 LEU B 65 0.841 3.088 2.253 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.454 2.716 1.676 1.00 0.00 H new ATOM 0 HG LEU B 65 2.012 0.488 3.117 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.294 -0.270 2.783 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.204 1.148 3.854 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.729 1.340 2.165 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.368 -0.595 1.003 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.026 1.002 0.296 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.687 0.578 0.775 1.00 0.00 H new ATOM 1784 N GLN B 66 3.700 1.504 5.215 1.00 0.00 N ATOM 1785 CA GLN B 66 4.884 0.701 5.499 1.00 0.00 C ATOM 1786 C GLN B 66 4.549 -0.784 5.335 1.00 0.00 C ATOM 1787 O GLN B 66 3.496 -1.243 5.766 1.00 0.00 O ATOM 1788 CB GLN B 66 5.450 0.976 6.902 1.00 0.00 C ATOM 1789 CG GLN B 66 4.904 0.083 8.004 1.00 0.00 C ATOM 1790 CD GLN B 66 5.761 0.113 9.259 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.286 -0.172 10.354 1.00 0.00 O ATOM 1792 NE2 GLN B 66 7.029 0.471 9.114 1.00 0.00 N ATOM 0 H GLN B 66 2.991 1.502 5.948 1.00 0.00 H new ATOM 0 HA GLN B 66 5.658 0.982 4.785 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.534 0.864 6.868 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.245 2.014 7.162 1.00 0.00 H new ATOM 0 HG2 GLN B 66 3.891 0.398 8.253 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.839 -0.941 7.638 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.391 0.701 8.189 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.642 0.516 9.928 1.00 0.00 H new ATOM 1801 N LEU B 67 5.426 -1.521 4.681 1.00 0.00 N ATOM 1802 CA LEU B 67 5.223 -2.947 4.469 1.00 0.00 C ATOM 1803 C LEU B 67 6.086 -3.738 5.438 1.00 0.00 C ATOM 1804 O LEU B 67 7.249 -3.413 5.637 1.00 0.00 O ATOM 1805 CB LEU B 67 5.586 -3.335 3.032 1.00 0.00 C ATOM 1806 CG LEU B 67 4.733 -2.687 1.940 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.230 -3.105 0.564 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.268 -3.058 2.113 1.00 0.00 C ATOM 0 H LEU B 67 6.292 -1.156 4.284 1.00 0.00 H new ATOM 0 HA LEU B 67 4.171 -3.176 4.641 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.630 -3.074 2.856 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.507 -4.418 2.936 1.00 0.00 H new ATOM 0 HG LEU B 67 4.824 -1.604 2.028 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.614 -2.636 -0.203 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.266 -2.790 0.440 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.167 -4.189 0.468 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.678 -2.587 1.327 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.157 -4.141 2.051 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.918 -2.712 3.086 1.00 0.00 H new ATOM 1820 N VAL B 68 5.509 -4.754 6.055 1.00 0.00 N ATOM 1821 CA VAL B 68 6.240 -5.592 6.994 1.00 0.00 C ATOM 1822 C VAL B 68 6.240 -7.030 6.492 1.00 0.00 C ATOM 1823 O VAL B 68 5.225 -7.730 6.572 1.00 0.00 O ATOM 1824 CB VAL B 68 5.620 -5.539 8.410 1.00 0.00 C ATOM 1825 CG1 VAL B 68 6.420 -6.389 9.387 1.00 0.00 C ATOM 1826 CG2 VAL B 68 5.525 -4.100 8.904 1.00 0.00 C ATOM 0 H VAL B 68 4.533 -5.021 5.923 1.00 0.00 H new ATOM 0 HA VAL B 68 7.260 -5.215 7.061 1.00 0.00 H new ATOM 0 HB VAL B 68 4.612 -5.949 8.351 1.00 0.00 H new ATOM 0 HG11 VAL B 68 5.963 -6.335 10.375 1.00 0.00 H new ATOM 0 HG12 VAL B 68 6.427 -7.425 9.047 1.00 0.00 H new ATOM 0 HG13 VAL B 68 7.443 -6.017 9.439 1.00 0.00 H new ATOM 0 HG21 VAL B 68 5.086 -4.086 9.902 1.00 0.00 H new ATOM 0 HG22 VAL B 68 6.522 -3.661 8.940 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.899 -3.522 8.224 1.00 0.00 H new ATOM 1836 N LEU B 69 7.366 -7.465 5.958 1.00 0.00 N ATOM 1837 CA LEU B 69 7.473 -8.813 5.429 1.00 0.00 C ATOM 1838 C LEU B 69 7.891 -9.774 6.534 1.00 0.00 C ATOM 1839 O LEU B 69 8.655 -9.403 7.424 1.00 0.00 O ATOM 1840 CB LEU B 69 8.463 -8.881 4.265 1.00 0.00 C ATOM 1841 CG LEU B 69 8.272 -7.832 3.162 1.00 0.00 C ATOM 1842 CD1 LEU B 69 8.747 -8.365 1.826 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.831 -7.383 3.038 1.00 0.00 C ATOM 0 H LEU B 69 8.217 -6.908 5.879 1.00 0.00 H new ATOM 0 HA LEU B 69 6.494 -9.105 5.049 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.472 -8.780 4.665 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.396 -9.871 3.814 1.00 0.00 H new ATOM 0 HG LEU B 69 8.872 -6.968 3.448 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.602 -7.605 1.059 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.805 -8.618 1.891 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.176 -9.256 1.566 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.748 -6.641 2.244 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.202 -8.241 2.800 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.504 -6.944 3.981 1.00 0.00 H new ATOM 1855 N HIS B 70 7.412 -11.010 6.470 1.00 0.00 N ATOM 1856 CA HIS B 70 7.748 -12.003 7.493 1.00 0.00 C ATOM 1857 C HIS B 70 9.155 -12.552 7.279 1.00 0.00 C ATOM 1858 O HIS B 70 9.614 -13.420 8.016 1.00 0.00 O ATOM 1859 CB HIS B 70 6.719 -13.146 7.536 1.00 0.00 C ATOM 1860 CG HIS B 70 6.300 -13.667 6.194 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.989 -13.799 5.796 1.00 0.00 N ATOM 1862 CD2 HIS B 70 7.047 -14.097 5.151 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.992 -14.293 4.552 1.00 0.00 C ATOM 1864 NE2 HIS B 70 6.213 -14.498 4.126 1.00 0.00 N ATOM 0 H HIS B 70 6.796 -11.350 5.731 1.00 0.00 H new ATOM 0 HA HIS B 70 7.719 -11.497 8.458 1.00 0.00 H new ATOM 0 HB2 HIS B 70 7.136 -13.970 8.116 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.833 -12.799 8.068 1.00 0.00 H new ATOM 0 HD1 HIS B 70 4.165 -13.563 6.349 1.00 0.00 H new ATOM 0 HD2 HIS B 70 8.126 -14.123 5.124 1.00 0.00 H new ATOM 0 HE1 HIS B 70 4.102 -14.496 3.974 1.00 0.00 H new ATOM 1872 N ALA B 71 9.831 -12.031 6.262 1.00 0.00 N ATOM 1873 CA ALA B 71 11.192 -12.439 5.954 1.00 0.00 C ATOM 1874 C ALA B 71 12.187 -11.547 6.691 1.00 0.00 C ATOM 1875 O ALA B 71 13.397 -11.747 6.609 1.00 0.00 O ATOM 1876 CB ALA B 71 11.433 -12.375 4.454 1.00 0.00 C ATOM 0 H ALA B 71 9.454 -11.321 5.634 1.00 0.00 H new ATOM 0 HA ALA B 71 11.334 -13.468 6.285 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.456 -12.683 4.236 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.737 -13.042 3.945 1.00 0.00 H new ATOM 0 HB3 ALA B 71 11.279 -11.354 4.104 1.00 0.00 H new ATOM 1882 N GLY B 72 11.661 -10.563 7.414 1.00 0.00 N ATOM 1883 CA GLY B 72 12.509 -9.648 8.154 1.00 0.00 C ATOM 1884 C GLY B 72 12.817 -8.396 7.360 1.00 0.00 C ATOM 1885 O GLY B 72 13.898 -7.823 7.483 1.00 0.00 O ATOM 0 H GLY B 72 10.661 -10.383 7.500 1.00 0.00 H new ATOM 0 HA2 GLY B 72 12.019 -9.374 9.088 1.00 0.00 H new ATOM 0 HA3 GLY B 72 13.440 -10.149 8.418 1.00 0.00 H new ATOM 1889 N ASP B 73 11.856 -7.969 6.553 1.00 0.00 N ATOM 1890 CA ASP B 73 12.020 -6.786 5.717 1.00 0.00 C ATOM 1891 C ASP B 73 10.852 -5.822 5.916 1.00 0.00 C ATOM 1892 O ASP B 73 9.729 -6.248 6.189 1.00 0.00 O ATOM 1893 CB ASP B 73 12.128 -7.201 4.243 1.00 0.00 C ATOM 1894 CG ASP B 73 12.010 -6.029 3.288 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.786 -5.061 3.430 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.135 -6.078 2.400 1.00 0.00 O ATOM 0 H ASP B 73 10.949 -8.427 6.459 1.00 0.00 H new ATOM 0 HA ASP B 73 12.937 -6.274 6.008 1.00 0.00 H new ATOM 0 HB2 ASP B 73 13.083 -7.700 4.081 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.347 -7.927 4.017 1.00 0.00 H new ATOM 1901 N THR B 74 11.125 -4.530 5.793 1.00 0.00 N ATOM 1902 CA THR B 74 10.109 -3.503 5.956 1.00 0.00 C ATOM 1903 C THR B 74 10.348 -2.367 4.966 1.00 0.00 C ATOM 1904 O THR B 74 11.466 -1.866 4.852 1.00 0.00 O ATOM 1905 CB THR B 74 10.107 -2.929 7.389 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.455 -2.711 7.829 1.00 0.00 O ATOM 1907 CG2 THR B 74 9.398 -3.863 8.360 1.00 0.00 C ATOM 0 H THR B 74 12.054 -4.167 5.578 1.00 0.00 H new ATOM 0 HA THR B 74 9.141 -3.967 5.766 1.00 0.00 H new ATOM 0 HB THR B 74 9.567 -1.982 7.371 1.00 0.00 H new ATOM 0 HG1 THR B 74 11.979 -2.321 7.098 1.00 0.00 H new ATOM 0 HG21 THR B 74 9.414 -3.429 9.360 1.00 0.00 H new ATOM 0 HG22 THR B 74 8.365 -4.002 8.042 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.906 -4.827 8.374 1.00 0.00 H new ATOM 1915 N THR B 75 9.301 -1.958 4.264 1.00 0.00 N ATOM 1916 CA THR B 75 9.415 -0.888 3.279 1.00 0.00 C ATOM 1917 C THR B 75 8.500 0.288 3.624 1.00 0.00 C ATOM 1918 O THR B 75 7.300 0.108 3.809 1.00 0.00 O ATOM 1919 CB THR B 75 9.042 -1.413 1.885 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.358 -2.808 1.793 1.00 0.00 O ATOM 1921 CG2 THR B 75 9.780 -0.648 0.799 1.00 0.00 C ATOM 0 H THR B 75 8.364 -2.349 4.357 1.00 0.00 H new ATOM 0 HA THR B 75 10.449 -0.543 3.287 1.00 0.00 H new ATOM 0 HB THR B 75 7.971 -1.269 1.740 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.922 -3.191 1.003 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.498 -1.040 -0.178 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.518 0.408 0.856 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.855 -0.763 0.939 1.00 0.00 H new ATOM 1929 N ASN B 76 9.059 1.487 3.706 1.00 0.00 N ATOM 1930 CA ASN B 76 8.272 2.675 4.024 1.00 0.00 C ATOM 1931 C ASN B 76 7.954 3.459 2.753 1.00 0.00 C ATOM 1932 O ASN B 76 8.811 4.164 2.218 1.00 0.00 O ATOM 1933 CB ASN B 76 9.027 3.575 5.003 1.00 0.00 C ATOM 1934 CG ASN B 76 8.856 3.149 6.448 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.736 1.966 6.759 1.00 0.00 O ATOM 1936 ND2 ASN B 76 8.831 4.119 7.345 1.00 0.00 N ATOM 0 H ASN B 76 10.052 1.665 3.557 1.00 0.00 H new ATOM 0 HA ASN B 76 7.341 2.349 4.487 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.087 3.569 4.751 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.678 4.601 4.888 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.709 3.897 8.333 1.00 0.00 H new ATOM 0 HD22 ASN B 76 8.934 5.090 7.049 1.00 0.00 H new ATOM 1943 N PHE B 77 6.720 3.356 2.285 1.00 0.00 N ATOM 1944 CA PHE B 77 6.300 4.051 1.076 1.00 0.00 C ATOM 1945 C PHE B 77 5.580 5.350 1.413 1.00 0.00 C ATOM 1946 O PHE B 77 4.451 5.340 1.897 1.00 0.00 O ATOM 1947 CB PHE B 77 5.386 3.161 0.229 1.00 0.00 C ATOM 1948 CG PHE B 77 6.119 2.101 -0.543 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.303 2.399 -1.198 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.622 0.809 -0.619 1.00 0.00 C ATOM 1951 CE1 PHE B 77 7.978 1.430 -1.913 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.294 -0.164 -1.335 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.473 0.147 -1.983 1.00 0.00 C ATOM 0 H PHE B 77 5.989 2.796 2.725 1.00 0.00 H new ATOM 0 HA PHE B 77 7.197 4.287 0.504 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.655 2.683 0.880 1.00 0.00 H new ATOM 0 HB3 PHE B 77 4.830 3.787 -0.469 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.703 3.401 -1.149 1.00 0.00 H new ATOM 0 HD2 PHE B 77 4.700 0.560 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE B 77 8.901 1.676 -2.417 1.00 0.00 H new ATOM 0 HE2 PHE B 77 5.897 -1.167 -1.388 1.00 0.00 H new ATOM 0 HZ PHE B 77 7.999 -0.612 -2.543 1.00 0.00 H new ATOM 1963 N HIS B 78 6.249 6.462 1.167 1.00 0.00 N ATOM 1964 CA HIS B 78 5.692 7.781 1.428 1.00 0.00 C ATOM 1965 C HIS B 78 4.954 8.290 0.194 1.00 0.00 C ATOM 1966 O HIS B 78 5.529 8.394 -0.888 1.00 0.00 O ATOM 1967 CB HIS B 78 6.831 8.732 1.833 1.00 0.00 C ATOM 1968 CG HIS B 78 6.508 10.198 1.804 1.00 0.00 C ATOM 1969 ND1 HIS B 78 5.322 10.852 1.910 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 7.463 11.176 1.646 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 5.547 12.222 1.813 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 6.847 12.362 1.657 1.00 0.00 N flip ATOM 0 H HIS B 78 7.193 6.478 0.781 1.00 0.00 H new ATOM 0 HA HIS B 78 4.972 7.730 2.245 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.154 8.471 2.841 1.00 0.00 H new ATOM 0 HB3 HIS B 78 7.679 8.554 1.171 1.00 0.00 H new ATOM 0 HD2 HIS B 78 8.525 11.014 1.533 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.808 13.008 1.857 1.00 0.00 H new ATOM 0 HE2 HIS B 78 7.322 13.259 1.557 1.00 0.00 H new ATOM 1980 N PHE B 79 3.677 8.596 0.360 1.00 0.00 N ATOM 1981 CA PHE B 79 2.871 9.105 -0.737 1.00 0.00 C ATOM 1982 C PHE B 79 3.077 10.608 -0.871 1.00 0.00 C ATOM 1983 O PHE B 79 2.334 11.403 -0.299 1.00 0.00 O ATOM 1984 CB PHE B 79 1.389 8.784 -0.516 1.00 0.00 C ATOM 1985 CG PHE B 79 1.077 7.316 -0.588 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.228 6.506 0.525 1.00 0.00 C ATOM 1987 CD2 PHE B 79 0.638 6.747 -1.772 1.00 0.00 C ATOM 1988 CE1 PHE B 79 0.947 5.156 0.458 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.354 5.396 -1.843 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.509 4.599 -0.727 1.00 0.00 C ATOM 0 H PHE B 79 3.177 8.501 1.244 1.00 0.00 H new ATOM 0 HA PHE B 79 3.187 8.619 -1.660 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.084 9.165 0.459 1.00 0.00 H new ATOM 0 HB3 PHE B 79 0.796 9.311 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.569 6.935 1.456 1.00 0.00 H new ATOM 0 HD2 PHE B 79 0.516 7.365 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.070 4.535 1.333 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.011 4.964 -2.772 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.288 3.543 -0.780 1.00 0.00 H new ATOM 2000 N SER B 80 4.101 10.985 -1.622 1.00 0.00 N ATOM 2001 CA SER B 80 4.433 12.387 -1.829 1.00 0.00 C ATOM 2002 C SER B 80 3.606 12.991 -2.960 1.00 0.00 C ATOM 2003 O SER B 80 3.901 14.081 -3.450 1.00 0.00 O ATOM 2004 CB SER B 80 5.926 12.520 -2.135 1.00 0.00 C ATOM 2005 OG SER B 80 6.418 11.360 -2.791 1.00 0.00 O ATOM 0 H SER B 80 4.721 10.333 -2.102 1.00 0.00 H new ATOM 0 HA SER B 80 4.198 12.935 -0.917 1.00 0.00 H new ATOM 0 HB2 SER B 80 6.096 13.396 -2.762 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.478 12.679 -1.209 1.00 0.00 H new ATOM 0 HG SER B 80 5.757 11.048 -3.444 1.00 0.00 H new ATOM 2011 N ASN B 81 2.571 12.277 -3.372 1.00 0.00 N ATOM 2012 CA ASN B 81 1.705 12.745 -4.437 1.00 0.00 C ATOM 2013 C ASN B 81 0.589 13.595 -3.855 1.00 0.00 C ATOM 2014 O ASN B 81 -0.459 13.084 -3.486 1.00 0.00 O ATOM 2015 CB ASN B 81 1.123 11.555 -5.207 1.00 0.00 C ATOM 2016 CG ASN B 81 0.407 11.975 -6.475 1.00 0.00 C ATOM 2017 OD1 ASN B 81 0.729 12.997 -7.080 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.563 11.183 -6.892 1.00 0.00 N ATOM 0 H ASN B 81 2.312 11.370 -2.983 1.00 0.00 H new ATOM 0 HA ASN B 81 2.288 13.353 -5.129 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.926 10.863 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.428 11.015 -4.564 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -1.076 11.410 -7.744 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -0.800 10.344 -6.362 1.00 0.00 H new ATOM 2025 N GLU B 82 0.828 14.896 -3.781 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.142 15.850 -3.231 1.00 0.00 C ATOM 2027 C GLU B 82 -1.534 15.672 -3.838 1.00 0.00 C ATOM 2028 O GLU B 82 -2.550 15.858 -3.166 1.00 0.00 O ATOM 2029 CB GLU B 82 0.326 17.297 -3.465 1.00 0.00 C ATOM 2030 CG GLU B 82 1.628 17.435 -4.254 1.00 0.00 C ATOM 2031 CD GLU B 82 1.518 16.979 -5.701 1.00 0.00 C ATOM 2032 OE1 GLU B 82 0.392 16.888 -6.231 1.00 0.00 O ATOM 2033 OE2 GLU B 82 2.564 16.677 -6.308 1.00 0.00 O ATOM 0 H GLU B 82 1.697 15.326 -4.098 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.205 15.649 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.460 17.836 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.452 17.783 -2.498 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.946 18.478 -4.234 1.00 0.00 H new ATOM 0 HG3 GLU B 82 2.406 16.855 -3.758 1.00 0.00 H new ATOM 2040 N SER B 83 -1.562 15.300 -5.105 1.00 0.00 N ATOM 2041 CA SER B 83 -2.796 15.111 -5.841 1.00 0.00 C ATOM 2042 C SER B 83 -3.722 14.061 -5.204 1.00 0.00 C ATOM 2043 O SER B 83 -4.889 14.352 -4.906 1.00 0.00 O ATOM 2044 CB SER B 83 -2.461 14.718 -7.280 1.00 0.00 C ATOM 2045 OG SER B 83 -1.231 15.303 -7.695 1.00 0.00 O ATOM 0 H SER B 83 -0.722 15.120 -5.655 1.00 0.00 H new ATOM 0 HA SER B 83 -3.342 16.054 -5.819 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.397 13.633 -7.359 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.263 15.039 -7.945 1.00 0.00 H new ATOM 0 HG SER B 83 -1.049 16.100 -7.155 1.00 0.00 H new ATOM 2051 N THR B 84 -3.223 12.849 -4.985 1.00 0.00 N ATOM 2052 CA THR B 84 -4.059 11.791 -4.431 1.00 0.00 C ATOM 2053 C THR B 84 -3.393 10.999 -3.297 1.00 0.00 C ATOM 2054 O THR B 84 -3.811 9.884 -3.025 1.00 0.00 O ATOM 2055 CB THR B 84 -4.465 10.813 -5.553 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.441 10.778 -6.550 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.780 11.224 -6.198 1.00 0.00 C ATOM 0 H THR B 84 -2.259 12.578 -5.179 1.00 0.00 H new ATOM 0 HA THR B 84 -4.929 12.287 -4.000 1.00 0.00 H new ATOM 0 HB THR B 84 -4.594 9.825 -5.110 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.669 10.280 -6.209 1.00 0.00 H new ATOM 0 HG21 THR B 84 -6.037 10.514 -6.984 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.568 11.232 -5.445 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.679 12.220 -6.628 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.413 11.592 -2.614 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.676 10.923 -1.524 1.00 0.00 C ATOM 2067 C ALA B 85 -2.567 10.101 -0.595 1.00 0.00 C ATOM 2068 O ALA B 85 -2.467 8.875 -0.549 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.910 11.947 -0.701 1.00 0.00 C ATOM 0 H ALA B 85 -2.103 12.547 -2.795 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.992 10.228 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.371 11.441 0.100 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.201 12.471 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.609 12.664 -0.271 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.430 10.784 0.144 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.326 10.131 1.096 1.00 0.00 C ATOM 2077 C VAL B 86 -5.231 9.105 0.415 1.00 0.00 C ATOM 2078 O VAL B 86 -5.455 8.013 0.934 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.209 11.165 1.824 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.894 10.532 3.022 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.390 12.374 2.248 1.00 0.00 C ATOM 0 H VAL B 86 -3.531 11.798 0.104 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.690 9.617 1.817 1.00 0.00 H new ATOM 0 HB VAL B 86 -5.978 11.505 1.130 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.513 11.277 3.523 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.521 9.705 2.688 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -5.141 10.159 3.716 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.035 13.089 2.759 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.594 12.056 2.922 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -3.953 12.845 1.367 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.720 9.459 -0.763 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.621 8.596 -1.515 1.00 0.00 C ATOM 2093 C LYS B 87 -5.910 7.325 -1.984 1.00 0.00 C ATOM 2094 O LYS B 87 -6.429 6.220 -1.824 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.198 9.368 -2.705 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.773 10.726 -2.318 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.552 11.761 -3.410 1.00 0.00 C ATOM 2098 CE LYS B 87 -7.797 13.177 -2.910 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.448 14.202 -3.938 1.00 0.00 N ATOM 0 H LYS B 87 -5.507 10.344 -1.223 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.436 8.289 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.416 9.511 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.980 8.770 -3.173 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.840 10.627 -2.121 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.309 11.068 -1.393 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.532 11.680 -3.785 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.217 11.552 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.845 13.286 -2.630 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.207 13.351 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.785 15.135 -3.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.416 14.231 -4.063 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.900 13.955 -4.842 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.720 7.487 -2.551 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.934 6.356 -3.023 1.00 0.00 C ATOM 2115 C GLU B 88 -3.523 5.493 -1.839 1.00 0.00 C ATOM 2116 O GLU B 88 -3.544 4.269 -1.914 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.689 6.837 -3.784 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.988 7.376 -5.175 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.829 8.162 -5.768 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.617 9.317 -5.342 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.143 7.641 -6.673 1.00 0.00 O ATOM 0 H GLU B 88 -4.278 8.395 -2.695 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.544 5.766 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.197 7.616 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.985 6.009 -3.869 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.232 6.545 -5.836 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.869 8.016 -5.129 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.182 6.154 -0.736 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.766 5.483 0.493 1.00 0.00 C ATOM 2130 C ARG B 89 -3.766 4.409 0.909 1.00 0.00 C ATOM 2131 O ARG B 89 -3.395 3.258 1.143 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.631 6.515 1.621 1.00 0.00 C ATOM 2133 CG ARG B 89 -1.708 6.098 2.758 1.00 0.00 C ATOM 2134 CD ARG B 89 -2.394 5.185 3.766 1.00 0.00 C ATOM 2135 NE ARG B 89 -3.710 5.677 4.196 1.00 0.00 N ATOM 2136 CZ ARG B 89 -4.055 5.856 5.476 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -3.139 5.810 6.431 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -5.313 6.121 5.796 1.00 0.00 N ATOM 0 H ARG B 89 -3.186 7.172 -0.669 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.806 5.002 0.306 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -2.264 7.450 1.198 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.621 6.717 2.030 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -0.837 5.588 2.346 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -1.343 6.989 3.270 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.510 4.194 3.327 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -1.752 5.074 4.640 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.400 5.895 3.477 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.162 5.637 6.193 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.410 5.948 7.405 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -6.022 6.189 5.065 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.573 6.257 6.773 1.00 0.00 H new ATOM 2152 N ASP B 90 -5.031 4.787 0.988 1.00 0.00 N ATOM 2153 CA ASP B 90 -6.076 3.862 1.405 1.00 0.00 C ATOM 2154 C ASP B 90 -6.442 2.863 0.321 1.00 0.00 C ATOM 2155 O ASP B 90 -6.812 1.732 0.629 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.313 4.622 1.868 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.261 4.909 3.350 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.522 3.978 4.141 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -6.921 6.049 3.726 1.00 0.00 O ATOM 0 H ASP B 90 -5.361 5.727 0.769 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.673 3.290 2.241 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.394 5.559 1.317 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.206 4.040 1.640 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.300 3.253 -0.939 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.638 2.363 -2.039 1.00 0.00 C ATOM 2166 C ALA B 91 -5.600 1.265 -2.116 1.00 0.00 C ATOM 2167 O ALA B 91 -5.920 0.096 -2.329 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.721 3.123 -3.350 1.00 0.00 C ATOM 0 H ALA B 91 -5.956 4.171 -1.222 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.619 1.924 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.975 2.433 -4.155 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.489 3.893 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.759 3.589 -3.562 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.354 1.663 -1.927 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.244 0.738 -1.928 1.00 0.00 C ATOM 2176 C VAL B 92 -3.376 -0.196 -0.734 1.00 0.00 C ATOM 2177 O VAL B 92 -3.210 -1.406 -0.856 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.900 1.493 -1.863 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.755 0.546 -1.582 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.652 2.251 -3.154 1.00 0.00 C ATOM 0 H VAL B 92 -4.088 2.635 -1.769 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.262 0.162 -2.853 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.957 2.208 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.179 1.106 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.921 0.048 -0.627 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.697 -0.200 -2.375 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.700 2.777 -3.090 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.623 1.550 -3.988 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.455 2.971 -3.313 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.709 0.393 0.412 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.897 -0.348 1.653 1.00 0.00 C ATOM 2192 C LYS B 93 -4.914 -1.464 1.465 1.00 0.00 C ATOM 2193 O LYS B 93 -4.628 -2.637 1.715 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.384 0.608 2.746 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.506 -0.028 4.123 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.914 -0.545 4.408 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.842 0.561 4.895 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.396 1.372 3.776 1.00 0.00 N ATOM 0 H LYS B 93 -3.856 1.398 0.505 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.945 -0.791 1.943 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.697 1.452 2.808 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.355 1.009 2.456 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.797 -0.852 4.203 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.231 0.704 4.883 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.326 -0.991 3.503 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.865 -1.334 5.159 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.662 0.120 5.461 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.298 1.213 5.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.343 1.717 4.033 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.771 2.182 3.592 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.462 0.784 2.921 1.00 0.00 H new ATOM 2212 N ASP B 94 -6.103 -1.071 1.032 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.195 -2.007 0.801 1.00 0.00 C ATOM 2214 C ASP B 94 -6.810 -3.072 -0.207 1.00 0.00 C ATOM 2215 O ASP B 94 -6.880 -4.260 0.094 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.445 -1.263 0.327 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.343 -0.849 1.474 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.969 0.082 2.220 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.416 -1.461 1.634 1.00 0.00 O ATOM 0 H ASP B 94 -6.338 -0.099 0.831 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.411 -2.502 1.748 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.146 -0.378 -0.234 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -9.005 -1.900 -0.357 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.381 -2.644 -1.390 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.986 -3.575 -2.441 1.00 0.00 C ATOM 2226 C LEU B 95 -4.949 -4.562 -1.923 1.00 0.00 C ATOM 2227 O LEU B 95 -5.075 -5.771 -2.119 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.434 -2.821 -3.652 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.519 -3.581 -4.977 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.968 -3.742 -5.410 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.717 -2.871 -6.052 1.00 0.00 C ATOM 0 H LEU B 95 -6.298 -1.660 -1.645 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.872 -4.130 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.975 -1.880 -3.754 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.391 -2.569 -3.460 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.093 -4.573 -4.830 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.007 -4.285 -6.354 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.516 -4.298 -4.649 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.421 -2.759 -5.538 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.790 -3.427 -6.987 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.112 -1.865 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.673 -2.810 -5.746 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.947 -4.044 -1.228 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.893 -4.875 -0.679 1.00 0.00 C ATOM 2245 C LEU B 96 -3.430 -5.870 0.339 1.00 0.00 C ATOM 2246 O LEU B 96 -3.221 -7.063 0.190 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.798 -4.022 -0.039 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.658 -3.617 -0.974 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.264 -2.625 -0.287 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.125 -4.842 -1.420 1.00 0.00 C ATOM 0 H LEU B 96 -3.844 -3.048 -1.032 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.467 -5.435 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.254 -3.118 0.365 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.378 -4.571 0.804 1.00 0.00 H new ATOM 0 HG LEU B 96 -1.088 -3.140 -1.855 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.070 -2.347 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.301 -1.735 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.685 -3.080 0.609 1.00 0.00 H new ATOM 0 HD21 LEU B 96 0.932 -4.535 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.544 -5.344 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.539 -5.526 -1.948 1.00 0.00 H new ATOM 2262 N GLN B 97 -4.154 -5.397 1.352 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.659 -6.302 2.385 1.00 0.00 C ATOM 2264 C GLN B 97 -5.690 -7.279 1.836 1.00 0.00 C ATOM 2265 O GLN B 97 -5.839 -8.375 2.367 1.00 0.00 O ATOM 2266 CB GLN B 97 -5.209 -5.541 3.600 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.600 -4.957 3.448 1.00 0.00 C ATOM 2268 CD GLN B 97 -7.101 -4.345 4.747 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.628 -4.867 5.878 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.889 -3.405 4.737 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.400 -4.415 1.480 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.805 -6.887 2.726 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -5.212 -6.217 4.455 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.520 -4.730 3.837 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.591 -4.196 2.667 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -7.289 -5.738 3.125 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -8.228 -3.033 3.850 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.205 -2.995 5.616 1.00 0.00 H new ATOM 2279 N GLN B 98 -6.384 -6.898 0.776 1.00 0.00 N ATOM 2280 CA GLN B 98 -7.381 -7.771 0.172 1.00 0.00 C ATOM 2281 C GLN B 98 -6.715 -8.900 -0.606 1.00 0.00 C ATOM 2282 O GLN B 98 -7.147 -10.050 -0.537 1.00 0.00 O ATOM 2283 CB GLN B 98 -8.299 -6.976 -0.762 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.326 -6.124 -0.034 1.00 0.00 C ATOM 2285 CD GLN B 98 -10.030 -5.143 -0.952 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.213 -5.405 -2.139 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -10.430 -4.002 -0.407 1.00 0.00 N ATOM 0 H GLN B 98 -6.277 -5.994 0.316 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.977 -8.202 0.977 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.688 -6.331 -1.394 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.819 -7.670 -1.422 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -10.066 -6.774 0.432 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.833 -5.575 0.768 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.259 -3.822 0.582 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.908 -3.305 -0.977 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.656 -8.570 -1.337 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.950 -9.552 -2.154 1.00 0.00 C ATOM 2298 C LEU B 99 -3.848 -10.286 -1.389 1.00 0.00 C ATOM 2299 O LEU B 99 -3.525 -11.427 -1.715 1.00 0.00 O ATOM 2300 CB LEU B 99 -4.358 -8.872 -3.382 1.00 0.00 C ATOM 2301 CG LEU B 99 -5.385 -8.185 -4.273 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -4.731 -7.071 -5.074 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -6.052 -9.191 -5.194 1.00 0.00 C ATOM 0 H LEU B 99 -5.266 -7.628 -1.381 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.683 -10.301 -2.452 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -3.625 -8.134 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.822 -9.615 -3.972 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.154 -7.745 -3.638 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -5.478 -6.590 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.304 -6.335 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.941 -7.488 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.782 -8.681 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -5.298 -9.663 -5.824 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.555 -9.952 -4.598 1.00 0.00 H new ATOM 2315 N LEU B 100 -3.282 -9.626 -0.378 1.00 0.00 N ATOM 2316 CA LEU B 100 -2.197 -10.193 0.436 1.00 0.00 C ATOM 2317 C LEU B 100 -2.388 -11.666 0.800 1.00 0.00 C ATOM 2318 O LEU B 100 -1.540 -12.487 0.469 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.971 -9.375 1.716 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.937 -8.265 1.580 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.778 -7.491 2.882 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.379 -8.873 1.156 1.00 0.00 C ATOM 0 H LEU B 100 -3.559 -8.685 -0.098 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.315 -10.138 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.920 -8.935 2.024 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.659 -10.050 2.513 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.275 -7.556 0.825 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -0.033 -6.706 2.750 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.732 -7.042 3.157 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.455 -8.169 3.671 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.127 -8.087 1.055 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.706 -9.592 1.907 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.254 -9.380 0.199 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.498 -12.035 1.458 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.721 -13.420 1.872 1.00 0.00 C ATOM 2336 C PRO B 101 -4.051 -14.372 0.716 1.00 0.00 C ATOM 2337 O PRO B 101 -4.117 -15.584 0.907 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.881 -13.305 2.854 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.631 -12.094 2.426 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.616 -11.155 1.852 1.00 0.00 C ATOM 0 HA PRO B 101 -2.820 -13.859 2.301 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.514 -14.192 2.823 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.522 -13.205 3.878 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.389 -12.347 1.685 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.149 -11.639 3.270 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -5.015 -10.610 0.997 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.300 -10.412 2.584 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.244 -13.834 -0.484 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.549 -14.666 -1.645 1.00 0.00 C ATOM 2350 C LYS B 102 -3.263 -15.243 -2.233 1.00 0.00 C ATOM 2351 O LYS B 102 -3.228 -16.381 -2.708 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.298 -13.865 -2.716 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.810 -13.880 -2.554 1.00 0.00 C ATOM 2354 CD LYS B 102 -7.253 -13.085 -1.338 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.744 -12.799 -1.370 1.00 0.00 C ATOM 2356 NZ LYS B 102 -9.164 -11.929 -0.243 1.00 0.00 N ATOM 0 H LYS B 102 -4.195 -12.834 -0.678 1.00 0.00 H new ATOM 0 HA LYS B 102 -5.191 -15.482 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.950 -12.832 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.044 -14.264 -3.698 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.276 -13.467 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.156 -14.910 -2.461 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.007 -13.638 -0.432 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -6.702 -12.145 -1.297 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.002 -12.320 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.295 -13.739 -1.329 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.170 -11.688 -0.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.020 -12.432 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.597 -11.057 -0.247 1.00 0.00 H new ATOM 2370 N PHE B 103 -2.206 -14.448 -2.194 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.906 -14.865 -2.709 1.00 0.00 C ATOM 2372 C PHE B 103 0.011 -15.207 -1.551 1.00 0.00 C ATOM 2373 O PHE B 103 1.102 -15.727 -1.743 1.00 0.00 O ATOM 2374 CB PHE B 103 -0.290 -13.758 -3.568 1.00 0.00 C ATOM 2375 CG PHE B 103 -1.213 -13.271 -4.653 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -2.121 -12.253 -4.405 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -1.182 -13.841 -5.914 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -2.978 -11.813 -5.396 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -2.037 -13.406 -6.909 1.00 0.00 C ATOM 2380 CZ PHE B 103 -2.936 -12.392 -6.649 1.00 0.00 C ATOM 0 H PHE B 103 -2.221 -13.504 -1.809 1.00 0.00 H new ATOM 0 HA PHE B 103 -1.037 -15.748 -3.335 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -0.017 -12.919 -2.928 1.00 0.00 H new ATOM 0 HB3 PHE B 103 0.630 -14.127 -4.020 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.159 -11.799 -3.426 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -0.481 -14.636 -6.123 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.679 -11.018 -5.191 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -2.002 -13.859 -7.889 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.606 -12.052 -7.425 1.00 0.00 H new