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 14 LYS NZ :NH3+ -134:sc= 2.25 (180deg=0.0873) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.01 K(o=5.6,f=-7.8!) USER MOD Set 1.3: B 83 SER OG : rot -57:sc= 1.21 USER MOD Set 1.4: B 84 THR OG1 : rot 47:sc= 1.11 USER MOD Set 2.1: B 45 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-5.3!) USER MOD Set 2.2: B 75 THR OG1 : rot 150:sc=-0.00102 USER MOD Set 3.1: B 66 GLN : amide:sc= -1.88 K(o=-3.7,f=-4.3!) USER MOD Set 3.2: B 76 ASN : amide:sc= -1.85! X(o=-3.7!,f=-3.7) USER MOD Set 4.1: B 17 GLN :FLIP amide:sc= 0.681 F(o=-1.2!,f=1.6) USER MOD Set 4.2: B 20 GLN :FLIP amide:sc= 0.9 F(o=-1.9,f=1.6) USER MOD Set 5.1: B 13 LYS NZ :NH3+ -177:sc= 1.23 (180deg=0) USER MOD Set 5.2: B 25 TYR OH : rot 150:sc= 1.04 USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 MET CE :methyl 145:sc= -1.1 (180deg=-2.81!) USER MOD Single : B 44 SER OG : rot -2:sc= -0.198 USER MOD Single : B 46 MET CE :methyl -159:sc= -0.114 (180deg=-0.671) USER MOD Single : B 47 TYR OH : rot 171:sc= 1.26 USER MOD Single : B 51 LYS NZ :NH3+ -137:sc= 0.526 (180deg=-0.86!) USER MOD Single : B 52 CYS SG : rot 72:sc= 0.868 USER MOD Single : B 53 GLN : amide:sc= -4.4! C(o=-4.4!,f=-12!) USER MOD Single : B 54 LYS NZ :NH3+ 156:sc= 1.13 (180deg=-0.138!) USER MOD Single : B 56 SER OG : rot 114:sc= 0.179 USER MOD Single : B 60 LYS NZ :NH3+ -154:sc= 1.13 (180deg=-0.08) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 GLN : amide:sc= -3.89! C(o=-3.9!,f=-7.5!) USER MOD Single : B 70 HIS : no HE2:sc= -5.66! C(o=-5.7!,f=-8.9!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -3.68! C(o=-5.3!,f=-3.7!) USER MOD Single : B 80 SER OG : rot 34:sc= 0.0923 USER MOD Single : B 87 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.18) USER MOD Single : B 93 LYS NZ :NH3+ 148:sc= -0.673 (180deg=-1.08!) USER MOD Single : B 97 GLN :FLIP amide:sc= -1.49 F(o=-3.6!,f=-1.5) USER MOD Single : B 98 GLN : amide:sc= -0.201 X(o=-0.2,f=-0.26) USER MOD Single : B 102 LYS NZ :NH3+ -126:sc= 1.29 (180deg=-0.4) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.868 4.796 13.628 1.00 0.00 N ATOM 340 CA ASP A 132 3.624 5.534 13.748 1.00 0.00 C ATOM 341 C ASP A 132 2.718 5.284 12.561 1.00 0.00 C ATOM 342 O ASP A 132 2.532 6.145 11.700 1.00 0.00 O ATOM 343 CB ASP A 132 3.898 7.022 13.864 1.00 0.00 C ATOM 344 CG ASP A 132 5.346 7.400 13.580 1.00 0.00 C ATOM 345 OD1 ASP A 132 5.754 7.387 12.397 1.00 0.00 O ATOM 346 OD2 ASP A 132 6.076 7.722 14.529 1.00 0.00 O ATOM 0 HA ASP A 132 3.123 5.184 14.650 1.00 0.00 H new ATOM 0 HB2 ASP A 132 3.249 7.557 13.171 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.635 7.354 14.868 1.00 0.00 H new ATOM 351 N TRP A 133 2.172 4.091 12.519 1.00 0.00 N ATOM 352 CA TRP A 133 1.276 3.686 11.450 1.00 0.00 C ATOM 353 C TRP A 133 0.102 2.907 12.014 1.00 0.00 C ATOM 354 O TRP A 133 0.262 2.149 12.970 1.00 0.00 O ATOM 355 CB TRP A 133 1.995 2.767 10.454 1.00 0.00 C ATOM 356 CG TRP A 133 3.396 3.149 10.073 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.513 3.051 10.842 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.833 3.631 8.805 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.608 3.484 10.138 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.217 3.846 8.890 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.190 3.916 7.613 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.965 4.332 7.829 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.934 4.397 6.560 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.308 4.603 6.672 1.00 0.00 C ATOM 0 H TRP A 133 2.334 3.371 13.223 1.00 0.00 H new ATOM 0 HA TRP A 133 0.936 4.594 10.951 1.00 0.00 H new ATOM 0 HB2 TRP A 133 2.019 1.762 10.875 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.397 2.717 9.544 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.535 2.686 11.858 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.562 3.527 10.495 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.126 3.764 7.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.030 4.489 7.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.442 4.620 5.625 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.859 4.984 5.825 1.00 0.00 H new ATOM 375 N GLU A 134 -1.071 3.107 11.432 1.00 0.00 N ATOM 376 CA GLU A 134 -2.239 2.346 11.810 1.00 0.00 C ATOM 377 C GLU A 134 -1.996 0.998 11.171 1.00 0.00 C ATOM 378 O GLU A 134 -2.160 0.830 9.963 1.00 0.00 O ATOM 379 CB GLU A 134 -3.529 2.982 11.279 1.00 0.00 C ATOM 380 CG GLU A 134 -3.553 4.501 11.379 1.00 0.00 C ATOM 381 CD GLU A 134 -4.699 5.121 10.605 1.00 0.00 C ATOM 382 OE1 GLU A 134 -5.839 5.097 11.106 1.00 0.00 O ATOM 383 OE2 GLU A 134 -4.454 5.646 9.495 1.00 0.00 O ATOM 0 H GLU A 134 -1.233 3.793 10.695 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.373 2.294 12.890 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.662 2.694 10.236 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.377 2.578 11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.629 4.791 12.427 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -2.610 4.900 11.006 1.00 0.00 H new ATOM 390 N GLU A 135 -1.537 0.065 11.969 1.00 0.00 N ATOM 391 CA GLU A 135 -1.148 -1.224 11.457 1.00 0.00 C ATOM 392 C GLU A 135 -2.292 -2.061 10.904 1.00 0.00 C ATOM 393 O GLU A 135 -3.185 -2.518 11.616 1.00 0.00 O ATOM 394 CB GLU A 135 -0.327 -1.965 12.505 1.00 0.00 C ATOM 395 CG GLU A 135 -0.871 -1.899 13.918 1.00 0.00 C ATOM 396 CD GLU A 135 0.242 -2.061 14.931 1.00 0.00 C ATOM 397 OE1 GLU A 135 1.172 -1.223 14.925 1.00 0.00 O ATOM 398 OE2 GLU A 135 0.226 -3.044 15.693 1.00 0.00 O ATOM 0 H GLU A 135 -1.424 0.175 12.977 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.526 -1.042 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.252 -3.012 12.211 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.685 -1.560 12.503 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.375 -0.945 14.074 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.617 -2.681 14.062 1.00 0.00 H new ATOM 405 N VAL A 136 -2.229 -2.210 9.587 1.00 0.00 N ATOM 406 CA VAL A 136 -3.161 -3.000 8.808 1.00 0.00 C ATOM 407 C VAL A 136 -2.668 -4.428 8.709 1.00 0.00 C ATOM 408 O VAL A 136 -1.476 -4.686 8.551 1.00 0.00 O ATOM 409 CB VAL A 136 -3.301 -2.454 7.381 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.269 -3.254 6.566 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.686 -1.011 7.408 1.00 0.00 C ATOM 0 H VAL A 136 -1.505 -1.770 9.019 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.127 -2.954 9.312 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.328 -2.545 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.337 -2.832 5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.925 -4.286 6.503 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.251 -3.227 7.038 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.781 -0.641 6.387 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.639 -0.898 7.925 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.920 -0.440 7.932 1.00 0.00 H new ATOM 421 N GLU A 137 -3.581 -5.345 8.792 1.00 0.00 N ATOM 422 CA GLU A 137 -3.237 -6.749 8.723 1.00 0.00 C ATOM 423 C GLU A 137 -3.943 -7.423 7.548 1.00 0.00 C ATOM 424 O GLU A 137 -4.985 -6.950 7.113 1.00 0.00 O ATOM 425 CB GLU A 137 -3.595 -7.442 10.027 1.00 0.00 C ATOM 426 CG GLU A 137 -3.371 -8.928 9.960 1.00 0.00 C ATOM 427 CD GLU A 137 -1.964 -9.335 10.346 1.00 0.00 C ATOM 428 OE1 GLU A 137 -1.006 -8.830 9.726 1.00 0.00 O ATOM 429 OE2 GLU A 137 -1.803 -10.177 11.251 1.00 0.00 O ATOM 0 H GLU A 137 -4.576 -5.155 8.908 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.162 -6.833 8.566 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -2.997 -7.022 10.836 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -4.640 -7.244 10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.081 -9.426 10.620 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.579 -9.275 8.948 1.00 0.00 H new ATOM 436 N GLU A 138 -3.349 -8.503 7.028 1.00 0.00 N ATOM 437 CA GLU A 138 -3.918 -9.260 5.908 1.00 0.00 C ATOM 438 C GLU A 138 -5.424 -9.472 6.091 1.00 0.00 C ATOM 439 O GLU A 138 -5.882 -9.921 7.141 1.00 0.00 O ATOM 440 CB GLU A 138 -3.203 -10.608 5.746 1.00 0.00 C ATOM 441 CG GLU A 138 -2.339 -11.011 6.935 1.00 0.00 C ATOM 442 CD GLU A 138 -1.207 -11.943 6.543 1.00 0.00 C ATOM 443 OE1 GLU A 138 -1.067 -12.237 5.336 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.442 -12.376 7.436 1.00 0.00 O ATOM 0 H GLU A 138 -2.463 -8.876 7.370 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.767 -8.675 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.950 -11.383 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -2.577 -10.568 4.855 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -1.924 -10.116 7.398 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -2.963 -11.498 7.685 1.00 0.00 H new ATOM 451 N LEU A 139 -6.182 -9.149 5.054 1.00 0.00 N ATOM 452 CA LEU A 139 -7.630 -9.245 5.095 1.00 0.00 C ATOM 453 C LEU A 139 -8.168 -10.155 3.993 1.00 0.00 C ATOM 454 O LEU A 139 -7.766 -10.059 2.835 1.00 0.00 O ATOM 455 CB LEU A 139 -8.210 -7.833 4.973 1.00 0.00 C ATOM 456 CG LEU A 139 -9.418 -7.655 4.044 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.692 -8.169 4.703 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.581 -6.194 3.658 1.00 0.00 C ATOM 0 H LEU A 139 -5.811 -8.815 4.165 1.00 0.00 H new ATOM 0 HA LEU A 139 -7.934 -9.692 6.041 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.496 -7.497 5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.417 -7.169 4.629 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.238 -8.240 3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.534 -8.031 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.581 -9.229 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.874 -7.615 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.442 -6.086 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.734 -5.595 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -8.684 -5.852 3.142 1.00 0.00 H new ATOM 815 N VAL B 8 0.537 -4.612 -13.647 1.00 0.00 N ATOM 816 CA VAL B 8 0.252 -3.615 -12.633 1.00 0.00 C ATOM 817 C VAL B 8 -1.237 -3.298 -12.574 1.00 0.00 C ATOM 818 O VAL B 8 -1.806 -2.746 -13.514 1.00 0.00 O ATOM 819 CB VAL B 8 1.035 -2.310 -12.888 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.964 -1.403 -11.672 1.00 0.00 C ATOM 821 CG2 VAL B 8 2.482 -2.611 -13.251 1.00 0.00 C ATOM 0 HA VAL B 8 0.568 -4.038 -11.679 1.00 0.00 H new ATOM 0 HB VAL B 8 0.576 -1.793 -13.731 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.521 -0.487 -11.868 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.077 -1.157 -11.462 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.397 -1.914 -10.812 1.00 0.00 H new ATOM 0 HG21 VAL B 8 3.015 -1.677 -13.426 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.957 -3.152 -12.433 1.00 0.00 H new ATOM 0 HG23 VAL B 8 2.511 -3.221 -14.154 1.00 0.00 H new ATOM 831 N LEU B 9 -1.851 -3.656 -11.460 1.00 0.00 N ATOM 832 CA LEU B 9 -3.266 -3.418 -11.236 1.00 0.00 C ATOM 833 C LEU B 9 -3.487 -1.989 -10.761 1.00 0.00 C ATOM 834 O LEU B 9 -4.416 -1.308 -11.194 1.00 0.00 O ATOM 835 CB LEU B 9 -3.798 -4.387 -10.181 1.00 0.00 C ATOM 836 CG LEU B 9 -3.684 -5.873 -10.529 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.095 -6.728 -9.340 1.00 0.00 C ATOM 838 CD2 LEU B 9 -4.534 -6.208 -11.744 1.00 0.00 C ATOM 0 H LEU B 9 -1.381 -4.121 -10.683 1.00 0.00 H new ATOM 0 HA LEU B 9 -3.798 -3.574 -12.174 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.264 -4.209 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -4.847 -4.155 -9.997 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.643 -6.090 -10.771 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -4.009 -7.782 -9.603 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.444 -6.511 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.127 -6.505 -9.071 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.438 -7.269 -11.974 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.578 -5.975 -11.533 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.196 -5.620 -12.598 1.00 0.00 H new ATOM 850 N LEU B 10 -2.622 -1.544 -9.861 1.00 0.00 N ATOM 851 CA LEU B 10 -2.720 -0.198 -9.311 1.00 0.00 C ATOM 852 C LEU B 10 -1.427 0.577 -9.516 1.00 0.00 C ATOM 853 O LEU B 10 -0.365 0.166 -9.055 1.00 0.00 O ATOM 854 CB LEU B 10 -3.077 -0.242 -7.826 1.00 0.00 C ATOM 855 CG LEU B 10 -3.778 1.015 -7.307 1.00 0.00 C ATOM 856 CD1 LEU B 10 -5.163 1.147 -7.920 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.871 0.993 -5.789 1.00 0.00 C ATOM 0 H LEU B 10 -1.845 -2.094 -9.496 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.517 0.318 -9.847 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.720 -1.103 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.165 -0.399 -7.250 1.00 0.00 H new ATOM 0 HG LEU B 10 -3.184 1.880 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.645 2.047 -7.539 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -5.076 1.214 -9.004 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.762 0.275 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.373 1.896 -5.442 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.438 0.118 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.868 0.949 -5.364 1.00 0.00 H new ATOM 869 N ILE B 11 -1.525 1.701 -10.213 1.00 0.00 N ATOM 870 CA ILE B 11 -0.365 2.540 -10.481 1.00 0.00 C ATOM 871 C ILE B 11 -0.395 3.790 -9.613 1.00 0.00 C ATOM 872 O ILE B 11 -1.215 4.682 -9.822 1.00 0.00 O ATOM 873 CB ILE B 11 -0.291 2.955 -11.971 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.126 1.718 -12.858 1.00 0.00 C ATOM 875 CG2 ILE B 11 0.852 3.938 -12.199 1.00 0.00 C ATOM 876 CD1 ILE B 11 0.008 2.035 -14.332 1.00 0.00 C ATOM 0 H ILE B 11 -2.399 2.054 -10.604 1.00 0.00 H new ATOM 0 HA ILE B 11 0.519 1.949 -10.242 1.00 0.00 H new ATOM 0 HB ILE B 11 -1.223 3.452 -12.240 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.756 1.165 -12.534 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -0.985 1.062 -12.714 1.00 0.00 H new ATOM 0 HG21 ILE B 11 0.887 4.217 -13.252 1.00 0.00 H new ATOM 0 HG22 ILE B 11 0.692 4.829 -11.592 1.00 0.00 H new ATOM 0 HG23 ILE B 11 1.795 3.471 -11.916 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.121 1.108 -14.895 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.884 2.560 -14.674 1.00 0.00 H new ATOM 0 HD13 ILE B 11 0.883 2.665 -14.491 1.00 0.00 H new ATOM 888 N VAL B 12 0.493 3.834 -8.634 1.00 0.00 N ATOM 889 CA VAL B 12 0.595 4.967 -7.732 1.00 0.00 C ATOM 890 C VAL B 12 1.803 5.814 -8.109 1.00 0.00 C ATOM 891 O VAL B 12 2.880 5.285 -8.399 1.00 0.00 O ATOM 892 CB VAL B 12 0.710 4.499 -6.267 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.904 5.674 -5.322 1.00 0.00 C ATOM 894 CG2 VAL B 12 -0.520 3.698 -5.879 1.00 0.00 C ATOM 0 H VAL B 12 1.161 3.087 -8.443 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.311 5.566 -7.824 1.00 0.00 H new ATOM 0 HB VAL B 12 1.590 3.861 -6.182 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.981 5.308 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.817 6.207 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL B 12 0.053 6.350 -5.403 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.430 3.372 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -1.408 4.320 -5.988 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -0.606 2.826 -6.528 1.00 0.00 H new ATOM 904 N LYS B 13 1.624 7.120 -8.115 1.00 0.00 N ATOM 905 CA LYS B 13 2.696 8.030 -8.485 1.00 0.00 C ATOM 906 C LYS B 13 3.406 8.601 -7.262 1.00 0.00 C ATOM 907 O LYS B 13 3.063 8.268 -6.131 1.00 0.00 O ATOM 908 CB LYS B 13 2.152 9.159 -9.364 1.00 0.00 C ATOM 909 CG LYS B 13 1.789 8.718 -10.778 1.00 0.00 C ATOM 910 CD LYS B 13 3.025 8.491 -11.641 1.00 0.00 C ATOM 911 CE LYS B 13 3.592 7.087 -11.472 1.00 0.00 C ATOM 912 NZ LYS B 13 4.922 6.942 -12.121 1.00 0.00 N ATOM 0 H LYS B 13 0.747 7.578 -7.868 1.00 0.00 H new ATOM 0 HA LYS B 13 3.432 7.459 -9.051 1.00 0.00 H new ATOM 0 HB2 LYS B 13 1.268 9.584 -8.888 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.896 9.953 -9.421 1.00 0.00 H new ATOM 0 HG2 LYS B 13 1.205 7.799 -10.732 1.00 0.00 H new ATOM 0 HG3 LYS B 13 1.157 9.475 -11.243 1.00 0.00 H new ATOM 0 HD2 LYS B 13 2.771 8.655 -12.688 1.00 0.00 H new ATOM 0 HD3 LYS B 13 3.789 9.224 -11.380 1.00 0.00 H new ATOM 0 HE2 LYS B 13 3.680 6.857 -10.410 1.00 0.00 H new ATOM 0 HE3 LYS B 13 2.899 6.362 -11.899 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 5.249 5.959 -12.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 4.845 7.186 -13.129 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.604 7.579 -11.662 1.00 0.00 H new ATOM 926 N LYS B 14 4.366 9.491 -7.541 1.00 0.00 N ATOM 927 CA LYS B 14 5.213 10.172 -6.553 1.00 0.00 C ATOM 928 C LYS B 14 5.217 9.538 -5.158 1.00 0.00 C ATOM 929 O LYS B 14 4.577 10.032 -4.231 1.00 0.00 O ATOM 930 CB LYS B 14 4.760 11.624 -6.444 1.00 0.00 C ATOM 931 CG LYS B 14 5.006 12.450 -7.694 1.00 0.00 C ATOM 932 CD LYS B 14 4.600 13.901 -7.484 1.00 0.00 C ATOM 933 CE LYS B 14 3.895 14.470 -8.706 1.00 0.00 C ATOM 934 NZ LYS B 14 2.420 14.274 -8.643 1.00 0.00 N ATOM 0 H LYS B 14 4.583 9.768 -8.499 1.00 0.00 H new ATOM 0 HA LYS B 14 6.237 10.084 -6.916 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.695 11.644 -6.213 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.277 12.092 -5.606 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.061 12.400 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.443 12.029 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.942 13.973 -6.618 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.485 14.498 -7.263 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.116 15.534 -8.789 1.00 0.00 H new ATOM 0 HE3 LYS B 14 4.286 13.993 -9.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.078 13.919 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 2.193 13.585 -7.898 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 1.958 15.181 -8.429 1.00 0.00 H new ATOM 948 N VAL B 15 5.964 8.454 -5.018 1.00 0.00 N ATOM 949 CA VAL B 15 6.100 7.761 -3.746 1.00 0.00 C ATOM 950 C VAL B 15 7.563 7.774 -3.330 1.00 0.00 C ATOM 951 O VAL B 15 8.424 7.275 -4.052 1.00 0.00 O ATOM 952 CB VAL B 15 5.607 6.296 -3.815 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.972 5.539 -2.544 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.109 6.242 -4.042 1.00 0.00 C ATOM 0 H VAL B 15 6.492 8.030 -5.781 1.00 0.00 H new ATOM 0 HA VAL B 15 5.479 8.283 -3.017 1.00 0.00 H new ATOM 0 HB VAL B 15 6.104 5.817 -4.658 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.615 4.512 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.055 5.538 -2.419 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.508 6.024 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.785 5.202 -4.087 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.598 6.746 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.865 6.739 -4.981 1.00 0.00 H new ATOM 964 N ARG B 16 7.850 8.350 -2.183 1.00 0.00 N ATOM 965 CA ARG B 16 9.212 8.425 -1.704 1.00 0.00 C ATOM 966 C ARG B 16 9.436 7.436 -0.577 1.00 0.00 C ATOM 967 O ARG B 16 8.700 7.424 0.401 1.00 0.00 O ATOM 968 CB ARG B 16 9.536 9.844 -1.233 1.00 0.00 C ATOM 969 CG ARG B 16 9.534 10.868 -2.358 1.00 0.00 C ATOM 970 CD ARG B 16 9.948 12.245 -1.867 1.00 0.00 C ATOM 971 NE ARG B 16 11.377 12.314 -1.563 1.00 0.00 N ATOM 972 CZ ARG B 16 11.967 13.352 -0.973 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.259 14.426 -0.646 1.00 0.00 N ATOM 974 NH2 ARG B 16 13.270 13.321 -0.723 1.00 0.00 N ATOM 0 H ARG B 16 7.158 8.773 -1.565 1.00 0.00 H new ATOM 0 HA ARG B 16 9.879 8.169 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.809 10.143 -0.478 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.514 9.845 -0.752 1.00 0.00 H new ATOM 0 HG2 ARG B 16 10.213 10.544 -3.146 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.538 10.923 -2.798 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.703 12.989 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG B 16 9.375 12.499 -0.975 1.00 0.00 H new ATOM 0 HE ARG B 16 11.959 11.516 -1.819 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.259 14.458 -0.846 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.714 15.219 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG B 16 13.820 12.502 -0.983 1.00 0.00 H new ATOM 0 HH22 ARG B 16 13.722 14.116 -0.271 1.00 0.00 H new ATOM 988 N GLN B 17 10.425 6.578 -0.723 1.00 0.00 N ATOM 989 CA GLN B 17 10.720 5.624 0.324 1.00 0.00 C ATOM 990 C GLN B 17 11.990 6.050 1.047 1.00 0.00 C ATOM 991 O GLN B 17 13.098 5.919 0.529 1.00 0.00 O ATOM 992 CB GLN B 17 10.807 4.188 -0.224 1.00 0.00 C ATOM 993 CG GLN B 17 11.955 3.917 -1.178 1.00 0.00 C ATOM 994 CD GLN B 17 12.797 2.736 -0.733 1.00 0.00 C ATOM 995 OE1 GLN B 17 12.177 1.789 -0.040 1.00 0.00 O flip ATOM 996 NE2 GLN B 17 13.992 2.673 -1.003 1.00 0.00 N flip ATOM 0 H GLN B 17 11.029 6.522 -1.543 1.00 0.00 H new ATOM 0 HA GLN B 17 9.902 5.616 1.044 1.00 0.00 H new ATOM 0 HB2 GLN B 17 10.889 3.501 0.619 1.00 0.00 H new ATOM 0 HB3 GLN B 17 9.872 3.956 -0.734 1.00 0.00 H new ATOM 0 HG2 GLN B 17 11.560 3.725 -2.176 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.584 4.804 -1.250 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.434 3.421 -1.538 1.00 0.00 H new ATOM 0 HE22 GLN B 17 14.544 1.873 -0.693 1.00 0.00 H new ATOM 1005 N LYS B 18 11.801 6.619 2.232 1.00 0.00 N ATOM 1006 CA LYS B 18 12.899 7.110 3.059 1.00 0.00 C ATOM 1007 C LYS B 18 13.654 8.216 2.319 1.00 0.00 C ATOM 1008 O LYS B 18 14.878 8.190 2.203 1.00 0.00 O ATOM 1009 CB LYS B 18 13.831 5.969 3.483 1.00 0.00 C ATOM 1010 CG LYS B 18 13.149 4.933 4.374 1.00 0.00 C ATOM 1011 CD LYS B 18 13.611 5.020 5.826 1.00 0.00 C ATOM 1012 CE LYS B 18 13.054 6.246 6.543 1.00 0.00 C ATOM 1013 NZ LYS B 18 13.644 6.413 7.903 1.00 0.00 N ATOM 0 H LYS B 18 10.880 6.754 2.648 1.00 0.00 H new ATOM 0 HA LYS B 18 12.486 7.533 3.975 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.217 5.474 2.592 1.00 0.00 H new ATOM 0 HB3 LYS B 18 14.688 6.386 4.012 1.00 0.00 H new ATOM 0 HG2 LYS B 18 12.069 5.075 4.330 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.356 3.934 3.989 1.00 0.00 H new ATOM 0 HD2 LYS B 18 13.301 4.120 6.357 1.00 0.00 H new ATOM 0 HD3 LYS B 18 14.700 5.049 5.856 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.256 7.137 5.948 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.971 6.157 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.239 7.257 8.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.430 5.574 8.480 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.675 6.524 7.823 1.00 0.00 H new ATOM 1027 N LYS B 19 12.871 9.171 1.805 1.00 0.00 N ATOM 1028 CA LYS B 19 13.367 10.343 1.078 1.00 0.00 C ATOM 1029 C LYS B 19 13.862 10.010 -0.333 1.00 0.00 C ATOM 1030 O LYS B 19 14.474 10.851 -0.990 1.00 0.00 O ATOM 1031 CB LYS B 19 14.460 11.075 1.873 1.00 0.00 C ATOM 1032 CG LYS B 19 13.911 12.059 2.900 1.00 0.00 C ATOM 1033 CD LYS B 19 13.400 11.349 4.144 1.00 0.00 C ATOM 1034 CE LYS B 19 12.334 12.161 4.865 1.00 0.00 C ATOM 1035 NZ LYS B 19 12.880 13.399 5.478 1.00 0.00 N ATOM 0 H LYS B 19 11.854 9.150 1.885 1.00 0.00 H new ATOM 0 HA LYS B 19 12.511 11.008 0.965 1.00 0.00 H new ATOM 0 HB2 LYS B 19 15.081 10.339 2.383 1.00 0.00 H new ATOM 0 HB3 LYS B 19 15.106 11.611 1.178 1.00 0.00 H new ATOM 0 HG2 LYS B 19 14.692 12.766 3.180 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.102 12.637 2.453 1.00 0.00 H new ATOM 0 HD2 LYS B 19 12.990 10.378 3.865 1.00 0.00 H new ATOM 0 HD3 LYS B 19 14.233 11.160 4.822 1.00 0.00 H new ATOM 0 HE2 LYS B 19 11.545 12.425 4.161 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.876 11.547 5.640 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.115 13.916 5.956 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 13.615 13.149 6.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.293 14.000 4.737 1.00 0.00 H new ATOM 1049 N GLN B 20 13.554 8.817 -0.822 1.00 0.00 N ATOM 1050 CA GLN B 20 13.978 8.421 -2.164 1.00 0.00 C ATOM 1051 C GLN B 20 12.807 8.538 -3.137 1.00 0.00 C ATOM 1052 O GLN B 20 11.742 7.986 -2.888 1.00 0.00 O ATOM 1053 CB GLN B 20 14.528 6.994 -2.153 1.00 0.00 C ATOM 1054 CG GLN B 20 15.161 6.581 -3.470 1.00 0.00 C ATOM 1055 CD GLN B 20 16.015 5.331 -3.352 1.00 0.00 C ATOM 1056 OE1 GLN B 20 15.665 4.453 -2.426 1.00 0.00 O flip ATOM 1057 NE2 GLN B 20 16.983 5.156 -4.089 1.00 0.00 N flip ATOM 0 H GLN B 20 13.018 8.111 -0.318 1.00 0.00 H new ATOM 0 HA GLN B 20 14.774 9.089 -2.493 1.00 0.00 H new ATOM 0 HB2 GLN B 20 15.269 6.904 -1.359 1.00 0.00 H new ATOM 0 HB3 GLN B 20 13.720 6.303 -1.915 1.00 0.00 H new ATOM 0 HG2 GLN B 20 14.376 6.410 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.775 7.400 -3.844 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.222 5.856 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN B 20 17.547 4.311 -3.998 1.00 0.00 H new ATOM 1066 N ASP B 21 13.011 9.256 -4.242 1.00 0.00 N ATOM 1067 CA ASP B 21 11.952 9.468 -5.233 1.00 0.00 C ATOM 1068 C ASP B 21 11.563 8.169 -5.925 1.00 0.00 C ATOM 1069 O ASP B 21 12.421 7.355 -6.267 1.00 0.00 O ATOM 1070 CB ASP B 21 12.375 10.514 -6.285 1.00 0.00 C ATOM 1071 CG ASP B 21 13.081 9.919 -7.505 1.00 0.00 C ATOM 1072 OD1 ASP B 21 12.388 9.465 -8.443 1.00 0.00 O ATOM 1073 OD2 ASP B 21 14.325 9.921 -7.541 1.00 0.00 O ATOM 0 H ASP B 21 13.899 9.701 -4.474 1.00 0.00 H new ATOM 0 HA ASP B 21 11.083 9.843 -4.693 1.00 0.00 H new ATOM 0 HB2 ASP B 21 11.491 11.057 -6.619 1.00 0.00 H new ATOM 0 HB3 ASP B 21 13.036 11.241 -5.814 1.00 0.00 H new ATOM 1078 N GLY B 22 10.264 7.953 -6.090 1.00 0.00 N ATOM 1079 CA GLY B 22 9.802 6.774 -6.767 1.00 0.00 C ATOM 1080 C GLY B 22 8.317 6.793 -7.034 1.00 0.00 C ATOM 1081 O GLY B 22 7.661 7.822 -6.901 1.00 0.00 O ATOM 0 H GLY B 22 9.527 8.579 -5.764 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.335 6.672 -7.713 1.00 0.00 H new ATOM 0 HA3 GLY B 22 10.047 5.897 -6.167 1.00 0.00 H new ATOM 1085 N ALA B 23 7.816 5.651 -7.439 1.00 0.00 N ATOM 1086 CA ALA B 23 6.415 5.444 -7.720 1.00 0.00 C ATOM 1087 C ALA B 23 6.072 4.037 -7.276 1.00 0.00 C ATOM 1088 O ALA B 23 6.875 3.119 -7.455 1.00 0.00 O ATOM 1089 CB ALA B 23 6.127 5.646 -9.197 1.00 0.00 C ATOM 0 H ALA B 23 8.386 4.818 -7.586 1.00 0.00 H new ATOM 0 HA ALA B 23 5.801 6.167 -7.183 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.066 5.485 -9.386 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.397 6.662 -9.485 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.711 4.936 -9.782 1.00 0.00 H new ATOM 1095 N LEU B 24 4.901 3.854 -6.709 1.00 0.00 N ATOM 1096 CA LEU B 24 4.523 2.553 -6.196 1.00 0.00 C ATOM 1097 C LEU B 24 3.554 1.860 -7.160 1.00 0.00 C ATOM 1098 O LEU B 24 2.485 2.380 -7.463 1.00 0.00 O ATOM 1099 CB LEU B 24 3.903 2.735 -4.811 1.00 0.00 C ATOM 1100 CG LEU B 24 4.125 1.588 -3.821 1.00 0.00 C ATOM 1101 CD1 LEU B 24 3.019 1.554 -2.781 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.240 0.253 -4.530 1.00 0.00 C ATOM 0 H LEU B 24 4.197 4.583 -6.591 1.00 0.00 H new ATOM 0 HA LEU B 24 5.402 1.914 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.303 3.649 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.830 2.882 -4.931 1.00 0.00 H new ATOM 0 HG LEU B 24 5.071 1.771 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.196 0.732 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU B 24 3.007 2.495 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU B 24 2.058 1.410 -3.276 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.397 -0.537 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.323 0.055 -5.085 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.083 0.279 -5.220 1.00 0.00 H new ATOM 1114 N TYR B 25 3.939 0.688 -7.645 1.00 0.00 N ATOM 1115 CA TYR B 25 3.112 -0.065 -8.575 1.00 0.00 C ATOM 1116 C TYR B 25 2.661 -1.388 -7.956 1.00 0.00 C ATOM 1117 O TYR B 25 3.474 -2.164 -7.454 1.00 0.00 O ATOM 1118 CB TYR B 25 3.884 -0.332 -9.871 1.00 0.00 C ATOM 1119 CG TYR B 25 4.434 0.917 -10.526 1.00 0.00 C ATOM 1120 CD1 TYR B 25 5.694 1.403 -10.196 1.00 0.00 C ATOM 1121 CD2 TYR B 25 3.696 1.609 -11.477 1.00 0.00 C ATOM 1122 CE1 TYR B 25 6.201 2.541 -10.793 1.00 0.00 C ATOM 1123 CE2 TYR B 25 4.196 2.748 -12.080 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.448 3.210 -11.734 1.00 0.00 C ATOM 1125 OH TYR B 25 5.949 4.347 -12.332 1.00 0.00 O ATOM 0 H TYR B 25 4.823 0.237 -7.408 1.00 0.00 H new ATOM 0 HA TYR B 25 2.227 0.529 -8.801 1.00 0.00 H new ATOM 0 HB2 TYR B 25 4.709 -1.012 -9.657 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.226 -0.841 -10.576 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.287 0.881 -9.460 1.00 0.00 H new ATOM 0 HD2 TYR B 25 2.714 1.251 -11.750 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.182 2.904 -10.524 1.00 0.00 H new ATOM 0 HE2 TYR B 25 3.609 3.273 -12.819 1.00 0.00 H new ATOM 0 HH TYR B 25 5.585 4.427 -13.238 1.00 0.00 H new ATOM 1135 N LEU B 26 1.360 -1.627 -7.983 1.00 0.00 N ATOM 1136 CA LEU B 26 0.788 -2.850 -7.439 1.00 0.00 C ATOM 1137 C LEU B 26 0.482 -3.834 -8.548 1.00 0.00 C ATOM 1138 O LEU B 26 -0.483 -3.654 -9.281 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.503 -2.544 -6.683 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.317 -1.837 -5.353 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.658 -1.483 -4.743 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.463 -2.713 -4.406 1.00 0.00 C ATOM 0 H LEU B 26 0.674 -0.985 -8.379 1.00 0.00 H new ATOM 0 HA LEU B 26 1.518 -3.286 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -1.141 -1.929 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.034 -3.480 -6.509 1.00 0.00 H new ATOM 0 HG LEU B 26 0.238 -0.916 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.502 -0.977 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.203 -0.824 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.235 -2.393 -4.580 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.591 -2.197 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.078 -3.645 -4.243 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.441 -2.932 -4.835 1.00 0.00 H new ATOM 1154 N MET B 27 1.294 -4.865 -8.673 1.00 0.00 N ATOM 1155 CA MET B 27 1.076 -5.868 -9.708 1.00 0.00 C ATOM 1156 C MET B 27 0.120 -6.947 -9.217 1.00 0.00 C ATOM 1157 O MET B 27 -0.394 -6.874 -8.101 1.00 0.00 O ATOM 1158 CB MET B 27 2.394 -6.502 -10.162 1.00 0.00 C ATOM 1159 CG MET B 27 3.235 -5.615 -11.061 1.00 0.00 C ATOM 1160 SD MET B 27 4.162 -4.375 -10.140 1.00 0.00 S ATOM 1161 CE MET B 27 5.613 -4.223 -11.175 1.00 0.00 C ATOM 0 H MET B 27 2.105 -5.034 -8.079 1.00 0.00 H new ATOM 0 HA MET B 27 0.631 -5.362 -10.565 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.979 -6.766 -9.281 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.175 -7.430 -10.689 1.00 0.00 H new ATOM 0 HG2 MET B 27 3.929 -6.234 -11.629 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.587 -5.117 -11.783 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.959 -3.189 -11.167 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.401 -4.872 -10.794 1.00 0.00 H new ATOM 0 HE3 MET B 27 5.364 -4.515 -12.195 1.00 0.00 H new ATOM 1171 N ALA B 28 -0.123 -7.940 -10.055 1.00 0.00 N ATOM 1172 CA ALA B 28 -1.022 -9.029 -9.709 1.00 0.00 C ATOM 1173 C ALA B 28 -0.280 -10.159 -9.005 1.00 0.00 C ATOM 1174 O ALA B 28 -0.888 -11.137 -8.580 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.713 -9.552 -10.960 1.00 0.00 C ATOM 0 H ALA B 28 0.291 -8.015 -10.984 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.772 -8.642 -9.020 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -2.384 -10.367 -10.691 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -2.286 -8.748 -11.422 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.965 -9.916 -11.664 1.00 0.00 H new ATOM 1181 N GLU B 29 1.034 -10.024 -8.888 1.00 0.00 N ATOM 1182 CA GLU B 29 1.852 -11.052 -8.256 1.00 0.00 C ATOM 1183 C GLU B 29 2.586 -10.489 -7.046 1.00 0.00 C ATOM 1184 O GLU B 29 2.650 -11.107 -5.972 1.00 0.00 O ATOM 1185 CB GLU B 29 2.894 -11.574 -9.248 1.00 0.00 C ATOM 1186 CG GLU B 29 2.465 -11.490 -10.703 1.00 0.00 C ATOM 1187 CD GLU B 29 2.792 -10.136 -11.314 1.00 0.00 C ATOM 1188 OE1 GLU B 29 3.655 -9.423 -10.750 1.00 0.00 O ATOM 1189 OE2 GLU B 29 2.181 -9.771 -12.340 1.00 0.00 O ATOM 0 H GLU B 29 1.556 -9.214 -9.222 1.00 0.00 H new ATOM 0 HA GLU B 29 1.190 -11.859 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.817 -11.008 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.121 -12.613 -9.007 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.961 -12.275 -11.274 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.393 -11.672 -10.776 1.00 0.00 H new ATOM 1196 N ARG B 30 3.143 -9.306 -7.226 1.00 0.00 N ATOM 1197 CA ARG B 30 3.904 -8.670 -6.175 1.00 0.00 C ATOM 1198 C ARG B 30 3.815 -7.157 -6.266 1.00 0.00 C ATOM 1199 O ARG B 30 3.365 -6.607 -7.267 1.00 0.00 O ATOM 1200 CB ARG B 30 5.367 -9.111 -6.269 1.00 0.00 C ATOM 1201 CG ARG B 30 6.224 -8.265 -7.194 1.00 0.00 C ATOM 1202 CD ARG B 30 6.029 -8.610 -8.662 1.00 0.00 C ATOM 1203 NE ARG B 30 7.043 -7.959 -9.489 1.00 0.00 N ATOM 1204 CZ ARG B 30 7.042 -7.953 -10.823 1.00 0.00 C ATOM 1205 NH1 ARG B 30 6.048 -8.516 -11.501 1.00 0.00 N ATOM 1206 NH2 ARG B 30 8.036 -7.356 -11.476 1.00 0.00 N ATOM 0 H ARG B 30 3.081 -8.769 -8.091 1.00 0.00 H new ATOM 0 HA ARG B 30 3.485 -8.973 -5.215 1.00 0.00 H new ATOM 0 HB2 ARG B 30 5.804 -9.091 -5.271 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.400 -10.146 -6.610 1.00 0.00 H new ATOM 0 HG2 ARG B 30 5.987 -7.212 -7.039 1.00 0.00 H new ATOM 0 HG3 ARG B 30 7.273 -8.398 -6.931 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.083 -9.690 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.036 -8.298 -8.984 1.00 0.00 H new ATOM 0 HE ARG B 30 7.805 -7.476 -9.013 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.276 -8.958 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.057 -8.506 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.791 -6.908 -10.957 1.00 0.00 H new ATOM 0 HH22 ARG B 30 8.043 -7.347 -12.496 1.00 0.00 H new ATOM 1220 N ILE B 31 4.248 -6.498 -5.210 1.00 0.00 N ATOM 1221 CA ILE B 31 4.260 -5.052 -5.166 1.00 0.00 C ATOM 1222 C ILE B 31 5.645 -4.575 -5.587 1.00 0.00 C ATOM 1223 O ILE B 31 6.655 -5.124 -5.141 1.00 0.00 O ATOM 1224 CB ILE B 31 3.908 -4.526 -3.752 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.036 -3.005 -3.692 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.788 -5.177 -2.695 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.591 -2.412 -2.372 1.00 0.00 C ATOM 0 H ILE B 31 4.599 -6.947 -4.364 1.00 0.00 H new ATOM 0 HA ILE B 31 3.504 -4.662 -5.847 1.00 0.00 H new ATOM 0 HB ILE B 31 2.872 -4.792 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.075 -2.729 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.444 -2.567 -4.496 1.00 0.00 H new ATOM 0 HG21 ILE B 31 4.521 -4.791 -1.711 1.00 0.00 H new ATOM 0 HG22 ILE B 31 4.640 -6.257 -2.713 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.834 -4.950 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.710 -1.329 -2.401 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.543 -2.658 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE B 31 4.199 -2.822 -1.566 1.00 0.00 H new ATOM 1239 N ALA B 32 5.711 -3.601 -6.472 1.00 0.00 N ATOM 1240 CA ALA B 32 6.996 -3.108 -6.929 1.00 0.00 C ATOM 1241 C ALA B 32 7.057 -1.595 -6.898 1.00 0.00 C ATOM 1242 O ALA B 32 6.084 -0.908 -7.196 1.00 0.00 O ATOM 1243 CB ALA B 32 7.298 -3.621 -8.324 1.00 0.00 C ATOM 0 H ALA B 32 4.901 -3.139 -6.885 1.00 0.00 H new ATOM 0 HA ALA B 32 7.755 -3.485 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.266 -3.241 -8.650 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.321 -4.711 -8.314 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.524 -3.281 -9.012 1.00 0.00 H new ATOM 1249 N TRP B 33 8.211 -1.087 -6.536 1.00 0.00 N ATOM 1250 CA TRP B 33 8.430 0.336 -6.461 1.00 0.00 C ATOM 1251 C TRP B 33 9.629 0.704 -7.324 1.00 0.00 C ATOM 1252 O TRP B 33 10.645 0.001 -7.330 1.00 0.00 O ATOM 1253 CB TRP B 33 8.640 0.747 -5.001 1.00 0.00 C ATOM 1254 CG TRP B 33 8.996 2.189 -4.801 1.00 0.00 C ATOM 1255 CD1 TRP B 33 8.143 3.230 -4.553 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.310 2.744 -4.817 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.851 4.392 -4.410 1.00 0.00 N ATOM 1258 CE2 TRP B 33 10.187 4.121 -4.569 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.578 2.203 -5.018 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 11.293 4.963 -4.514 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.673 3.037 -4.969 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.526 4.406 -4.718 1.00 0.00 C ATOM 0 H TRP B 33 9.024 -1.649 -6.285 1.00 0.00 H new ATOM 0 HA TRP B 33 7.560 0.873 -6.838 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.729 0.531 -4.442 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.430 0.129 -4.574 1.00 0.00 H new ATOM 0 HD1 TRP B 33 7.069 3.147 -4.481 1.00 0.00 H new ATOM 0 HE1 TRP B 33 8.451 5.310 -4.217 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.700 1.147 -5.209 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 11.182 6.019 -4.317 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.660 2.628 -5.127 1.00 0.00 H new ATOM 0 HH2 TRP B 33 13.403 5.035 -4.685 1.00 0.00 H new ATOM 1273 N ALA B 34 9.491 1.781 -8.072 1.00 0.00 N ATOM 1274 CA ALA B 34 10.549 2.254 -8.944 1.00 0.00 C ATOM 1275 C ALA B 34 10.596 3.763 -8.911 1.00 0.00 C ATOM 1276 O ALA B 34 9.553 4.394 -8.836 1.00 0.00 O ATOM 1277 CB ALA B 34 10.315 1.780 -10.364 1.00 0.00 C ATOM 0 H ALA B 34 8.646 2.351 -8.093 1.00 0.00 H new ATOM 0 HA ALA B 34 11.500 1.852 -8.594 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.118 2.143 -11.006 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.298 0.690 -10.386 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.361 2.165 -10.723 1.00 0.00 H new ATOM 1283 N PRO B 35 11.797 4.357 -8.958 1.00 0.00 N ATOM 1284 CA PRO B 35 11.958 5.816 -8.935 1.00 0.00 C ATOM 1285 C PRO B 35 11.037 6.516 -9.948 1.00 0.00 C ATOM 1286 O PRO B 35 10.794 5.999 -11.042 1.00 0.00 O ATOM 1287 CB PRO B 35 13.433 6.010 -9.279 1.00 0.00 C ATOM 1288 CG PRO B 35 14.098 4.753 -8.833 1.00 0.00 C ATOM 1289 CD PRO B 35 13.090 3.656 -9.033 1.00 0.00 C ATOM 0 HA PRO B 35 11.684 6.255 -7.976 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.572 6.173 -10.348 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.847 6.879 -8.768 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.001 4.563 -9.413 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.398 4.821 -7.787 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.222 3.160 -9.995 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.175 2.888 -8.264 1.00 0.00 H new ATOM 1411 N ILE B 43 12.830 -2.274 -6.569 1.00 0.00 N ATOM 1412 CA ILE B 43 12.405 -2.962 -5.359 1.00 0.00 C ATOM 1413 C ILE B 43 11.067 -3.651 -5.605 1.00 0.00 C ATOM 1414 O ILE B 43 10.104 -3.010 -6.026 1.00 0.00 O ATOM 1415 CB ILE B 43 12.278 -1.996 -4.160 1.00 0.00 C ATOM 1416 CG1 ILE B 43 13.504 -1.080 -4.072 1.00 0.00 C ATOM 1417 CG2 ILE B 43 12.119 -2.784 -2.871 1.00 0.00 C ATOM 1418 CD1 ILE B 43 13.453 -0.100 -2.921 1.00 0.00 C ATOM 0 HA ILE B 43 13.168 -3.700 -5.111 1.00 0.00 H new ATOM 0 HB ILE B 43 11.394 -1.375 -4.308 1.00 0.00 H new ATOM 0 HG12 ILE B 43 14.399 -1.695 -3.974 1.00 0.00 H new ATOM 0 HG13 ILE B 43 13.599 -0.525 -5.005 1.00 0.00 H new ATOM 0 HG21 ILE B 43 12.030 -2.094 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE B 43 11.222 -3.401 -2.930 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.990 -3.423 -2.725 1.00 0.00 H new ATOM 0 HD11 ILE B 43 14.354 0.513 -2.925 1.00 0.00 H new ATOM 0 HD12 ILE B 43 12.578 0.541 -3.027 1.00 0.00 H new ATOM 0 HD13 ILE B 43 13.390 -0.647 -1.980 1.00 0.00 H new ATOM 1430 N SER B 44 11.011 -4.954 -5.370 1.00 0.00 N ATOM 1431 CA SER B 44 9.796 -5.715 -5.589 1.00 0.00 C ATOM 1432 C SER B 44 9.603 -6.748 -4.474 1.00 0.00 C ATOM 1433 O SER B 44 10.529 -7.486 -4.140 1.00 0.00 O ATOM 1434 CB SER B 44 9.893 -6.404 -6.947 1.00 0.00 C ATOM 1435 OG SER B 44 8.617 -6.565 -7.537 1.00 0.00 O ATOM 0 H SER B 44 11.797 -5.505 -5.026 1.00 0.00 H new ATOM 0 HA SER B 44 8.935 -5.047 -5.576 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.530 -5.818 -7.609 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.367 -7.379 -6.829 1.00 0.00 H new ATOM 0 HG SER B 44 7.929 -6.226 -6.927 1.00 0.00 H new ATOM 1441 N HIS B 45 8.401 -6.795 -3.898 1.00 0.00 N ATOM 1442 CA HIS B 45 8.095 -7.735 -2.818 1.00 0.00 C ATOM 1443 C HIS B 45 6.890 -8.585 -3.173 1.00 0.00 C ATOM 1444 O HIS B 45 5.811 -8.061 -3.452 1.00 0.00 O ATOM 1445 CB HIS B 45 7.812 -6.999 -1.498 1.00 0.00 C ATOM 1446 CG HIS B 45 8.786 -5.911 -1.163 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.863 -6.067 -0.319 1.00 0.00 N ATOM 1448 CD2 HIS B 45 8.818 -4.617 -1.573 1.00 0.00 C ATOM 1449 CE1 HIS B 45 10.500 -4.894 -0.244 1.00 0.00 C ATOM 1450 NE2 HIS B 45 9.904 -3.981 -0.988 1.00 0.00 N ATOM 0 H HIS B 45 7.622 -6.192 -4.162 1.00 0.00 H new ATOM 0 HA HIS B 45 8.970 -8.372 -2.689 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.811 -6.569 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.808 -7.727 -0.686 1.00 0.00 H new ATOM 0 HD2 HIS B 45 8.111 -4.156 -2.247 1.00 0.00 H new ATOM 0 HE1 HIS B 45 11.386 -4.717 0.348 1.00 0.00 H new ATOM 0 HE2 HIS B 45 10.184 -3.008 -1.108 1.00 0.00 H new ATOM 1458 N MET B 46 7.077 -9.896 -3.169 1.00 0.00 N ATOM 1459 CA MET B 46 5.997 -10.821 -3.476 1.00 0.00 C ATOM 1460 C MET B 46 4.940 -10.755 -2.389 1.00 0.00 C ATOM 1461 O MET B 46 5.272 -10.666 -1.208 1.00 0.00 O ATOM 1462 CB MET B 46 6.527 -12.253 -3.595 1.00 0.00 C ATOM 1463 CG MET B 46 7.297 -12.517 -4.878 1.00 0.00 C ATOM 1464 SD MET B 46 6.254 -12.433 -6.348 1.00 0.00 S ATOM 1465 CE MET B 46 5.139 -13.805 -6.054 1.00 0.00 C ATOM 0 H MET B 46 7.968 -10.344 -2.956 1.00 0.00 H new ATOM 0 HA MET B 46 5.557 -10.534 -4.431 1.00 0.00 H new ATOM 0 HB2 MET B 46 7.175 -12.463 -2.744 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.689 -12.947 -3.536 1.00 0.00 H new ATOM 0 HG2 MET B 46 8.104 -11.790 -4.968 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.760 -13.502 -4.822 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.695 -14.121 -6.998 1.00 0.00 H new ATOM 0 HE2 MET B 46 5.692 -14.636 -5.617 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.351 -13.493 -5.369 1.00 0.00 H new ATOM 1475 N TYR B 47 3.669 -10.775 -2.780 1.00 0.00 N ATOM 1476 CA TYR B 47 2.586 -10.730 -1.797 1.00 0.00 C ATOM 1477 C TYR B 47 2.712 -11.922 -0.849 1.00 0.00 C ATOM 1478 O TYR B 47 2.372 -11.844 0.332 1.00 0.00 O ATOM 1479 CB TYR B 47 1.218 -10.720 -2.487 1.00 0.00 C ATOM 1480 CG TYR B 47 0.982 -9.496 -3.348 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.493 -8.260 -2.979 1.00 0.00 C ATOM 1482 CD2 TYR B 47 0.249 -9.573 -4.529 1.00 0.00 C ATOM 1483 CE1 TYR B 47 1.283 -7.140 -3.756 1.00 0.00 C ATOM 1484 CE2 TYR B 47 0.036 -8.454 -5.310 1.00 0.00 C ATOM 1485 CZ TYR B 47 0.556 -7.239 -4.917 1.00 0.00 C ATOM 1486 OH TYR B 47 0.356 -6.121 -5.690 1.00 0.00 O ATOM 0 H TYR B 47 3.365 -10.821 -3.752 1.00 0.00 H new ATOM 0 HA TYR B 47 2.667 -9.808 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR B 47 1.126 -11.613 -3.106 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.437 -10.776 -1.728 1.00 0.00 H new ATOM 0 HD1 TYR B 47 2.065 -8.173 -2.067 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.160 -10.523 -4.840 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.690 -6.187 -3.452 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -0.535 -8.530 -6.224 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.049 -6.382 -6.543 1.00 0.00 H new ATOM 1496 N ALA B 48 3.226 -13.020 -1.393 1.00 0.00 N ATOM 1497 CA ALA B 48 3.466 -14.246 -0.641 1.00 0.00 C ATOM 1498 C ALA B 48 4.581 -14.091 0.402 1.00 0.00 C ATOM 1499 O ALA B 48 4.864 -15.033 1.145 1.00 0.00 O ATOM 1500 CB ALA B 48 3.834 -15.366 -1.606 1.00 0.00 C ATOM 0 H ALA B 48 3.490 -13.084 -2.376 1.00 0.00 H new ATOM 0 HA ALA B 48 2.547 -14.482 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA B 48 4.014 -16.284 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA B 48 3.016 -15.524 -2.309 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.736 -15.092 -2.154 1.00 0.00 H new ATOM 1506 N ASP B 49 5.220 -12.924 0.449 1.00 0.00 N ATOM 1507 CA ASP B 49 6.302 -12.670 1.394 1.00 0.00 C ATOM 1508 C ASP B 49 5.941 -11.561 2.370 1.00 0.00 C ATOM 1509 O ASP B 49 6.628 -11.350 3.372 1.00 0.00 O ATOM 1510 CB ASP B 49 7.565 -12.286 0.656 1.00 0.00 C ATOM 1511 CG ASP B 49 8.261 -13.475 0.033 1.00 0.00 C ATOM 1512 OD1 ASP B 49 9.025 -14.157 0.749 1.00 0.00 O ATOM 1513 OD2 ASP B 49 8.024 -13.750 -1.159 1.00 0.00 O ATOM 0 H ASP B 49 5.004 -12.136 -0.161 1.00 0.00 H new ATOM 0 HA ASP B 49 6.466 -13.590 1.956 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.320 -11.564 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP B 49 8.248 -11.791 1.346 1.00 0.00 H new ATOM 1518 N ILE B 50 4.864 -10.855 2.091 1.00 0.00 N ATOM 1519 CA ILE B 50 4.428 -9.793 2.975 1.00 0.00 C ATOM 1520 C ILE B 50 3.464 -10.365 3.993 1.00 0.00 C ATOM 1521 O ILE B 50 2.613 -11.191 3.655 1.00 0.00 O ATOM 1522 CB ILE B 50 3.759 -8.641 2.208 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.513 -8.374 0.907 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.714 -7.385 3.072 1.00 0.00 C ATOM 1525 CD1 ILE B 50 4.001 -7.177 0.150 1.00 0.00 C ATOM 0 H ILE B 50 4.279 -10.995 1.267 1.00 0.00 H new ATOM 0 HA ILE B 50 5.306 -9.381 3.473 1.00 0.00 H new ATOM 0 HB ILE B 50 2.735 -8.924 1.965 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.569 -8.227 1.132 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.443 -9.255 0.269 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.238 -6.578 2.516 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.143 -7.587 3.978 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.729 -7.091 3.340 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.583 -7.048 -0.763 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.953 -7.330 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.096 -6.286 0.771 1.00 0.00 H new ATOM 1537 N LYS B 51 3.616 -9.974 5.243 1.00 0.00 N ATOM 1538 CA LYS B 51 2.747 -10.486 6.280 1.00 0.00 C ATOM 1539 C LYS B 51 1.827 -9.407 6.839 1.00 0.00 C ATOM 1540 O LYS B 51 0.700 -9.686 7.223 1.00 0.00 O ATOM 1541 CB LYS B 51 3.560 -11.069 7.427 1.00 0.00 C ATOM 1542 CG LYS B 51 2.811 -12.143 8.198 1.00 0.00 C ATOM 1543 CD LYS B 51 2.797 -11.854 9.687 1.00 0.00 C ATOM 1544 CE LYS B 51 1.783 -10.772 10.049 1.00 0.00 C ATOM 1545 NZ LYS B 51 0.384 -11.147 9.692 1.00 0.00 N ATOM 0 H LYS B 51 4.324 -9.312 5.561 1.00 0.00 H new ATOM 0 HA LYS B 51 2.139 -11.263 5.818 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.485 -11.490 7.033 1.00 0.00 H new ATOM 0 HB3 LYS B 51 3.841 -10.268 8.110 1.00 0.00 H new ATOM 0 HG2 LYS B 51 1.787 -12.209 7.830 1.00 0.00 H new ATOM 0 HG3 LYS B 51 3.277 -13.112 8.019 1.00 0.00 H new ATOM 0 HD2 LYS B 51 2.562 -12.768 10.232 1.00 0.00 H new ATOM 0 HD3 LYS B 51 3.791 -11.540 10.005 1.00 0.00 H new ATOM 0 HE2 LYS B 51 1.839 -10.572 11.119 1.00 0.00 H new ATOM 0 HE3 LYS B 51 2.048 -9.847 9.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -0.095 -10.330 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 0.398 -11.936 9.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -0.128 -11.436 10.550 1.00 0.00 H new ATOM 1559 N CYS B 52 2.306 -8.177 6.878 1.00 0.00 N ATOM 1560 CA CYS B 52 1.532 -7.092 7.459 1.00 0.00 C ATOM 1561 C CYS B 52 1.808 -5.785 6.738 1.00 0.00 C ATOM 1562 O CYS B 52 2.766 -5.682 5.970 1.00 0.00 O ATOM 1563 CB CYS B 52 1.898 -6.954 8.940 1.00 0.00 C ATOM 1564 SG CYS B 52 0.553 -6.398 10.005 1.00 0.00 S ATOM 0 H CYS B 52 3.220 -7.904 6.518 1.00 0.00 H new ATOM 0 HA CYS B 52 0.471 -7.320 7.356 1.00 0.00 H new ATOM 0 HB2 CYS B 52 2.255 -7.918 9.303 1.00 0.00 H new ATOM 0 HB3 CYS B 52 2.728 -6.253 9.031 1.00 0.00 H new ATOM 0 HG CYS B 52 -0.313 -7.357 10.148 1.00 0.00 H new ATOM 1570 N GLN B 53 0.969 -4.791 6.982 1.00 0.00 N ATOM 1571 CA GLN B 53 1.145 -3.483 6.352 1.00 0.00 C ATOM 1572 C GLN B 53 0.543 -2.381 7.198 1.00 0.00 C ATOM 1573 O GLN B 53 -0.609 -2.428 7.535 1.00 0.00 O ATOM 1574 CB GLN B 53 0.509 -3.481 4.972 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.900 -4.028 4.974 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.528 -3.966 3.615 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.418 -4.898 2.833 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -2.180 -2.859 3.323 1.00 0.00 N ATOM 0 H GLN B 53 0.165 -4.859 7.606 1.00 0.00 H new ATOM 0 HA GLN B 53 2.215 -3.294 6.259 1.00 0.00 H new ATOM 0 HB2 GLN B 53 0.498 -2.462 4.584 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.123 -4.074 4.294 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -0.887 -5.061 5.321 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.508 -3.462 5.680 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -2.244 -2.108 4.011 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -2.621 -2.753 2.409 1.00 0.00 H new ATOM 1587 N LYS B 54 1.307 -1.369 7.526 1.00 0.00 N ATOM 1588 CA LYS B 54 0.780 -0.303 8.350 1.00 0.00 C ATOM 1589 C LYS B 54 0.708 0.993 7.554 1.00 0.00 C ATOM 1590 O LYS B 54 1.354 1.125 6.523 1.00 0.00 O ATOM 1591 CB LYS B 54 1.621 -0.144 9.604 1.00 0.00 C ATOM 1592 CG LYS B 54 2.073 -1.458 10.226 1.00 0.00 C ATOM 1593 CD LYS B 54 2.799 -1.229 11.543 1.00 0.00 C ATOM 1594 CE LYS B 54 3.061 -2.539 12.275 1.00 0.00 C ATOM 1595 NZ LYS B 54 3.195 -2.340 13.745 1.00 0.00 N ATOM 0 H LYS B 54 2.280 -1.258 7.242 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.233 -0.558 8.660 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.501 0.453 9.364 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.048 0.416 10.343 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.208 -2.100 10.393 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.730 -1.983 9.533 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.745 -0.722 11.354 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.205 -0.570 12.177 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.246 -3.235 12.076 1.00 0.00 H new ATOM 0 HE3 LYS B 54 3.971 -2.996 11.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.967 -3.227 14.238 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 4.171 -2.060 13.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.540 -1.594 14.055 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.078 1.946 8.032 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.265 3.212 7.326 1.00 0.00 C ATOM 1611 C ILE B 55 -0.072 4.419 8.244 1.00 0.00 C ATOM 1612 O ILE B 55 -0.636 4.470 9.324 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.691 3.255 6.746 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.706 3.131 7.887 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.880 2.133 5.740 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.979 2.415 7.527 1.00 0.00 C ATOM 0 H ILE B 55 -0.598 1.870 8.906 1.00 0.00 H new ATOM 0 HA ILE B 55 0.485 3.266 6.537 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.847 4.204 6.232 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.234 2.607 8.718 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -2.956 4.131 8.241 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.892 2.173 5.336 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.161 2.247 4.929 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.723 1.173 6.232 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.634 2.377 8.398 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.480 2.948 6.719 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.747 1.400 7.203 1.00 0.00 H new ATOM 1628 N SER B 56 0.722 5.397 7.832 1.00 0.00 N ATOM 1629 CA SER B 56 0.917 6.570 8.662 1.00 0.00 C ATOM 1630 C SER B 56 -0.292 7.470 8.488 1.00 0.00 C ATOM 1631 O SER B 56 -0.566 7.951 7.374 1.00 0.00 O ATOM 1632 CB SER B 56 2.223 7.301 8.340 1.00 0.00 C ATOM 1633 OG SER B 56 2.179 7.921 7.076 1.00 0.00 O ATOM 0 H SER B 56 1.230 5.401 6.948 1.00 0.00 H new ATOM 0 HA SER B 56 1.008 6.266 9.705 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.418 8.052 9.106 1.00 0.00 H new ATOM 0 HB3 SER B 56 3.052 6.594 8.369 1.00 0.00 H new ATOM 0 HG SER B 56 2.207 8.894 7.188 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.040 7.645 9.592 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.285 8.426 9.645 1.00 0.00 C ATOM 1641 C PRO B 57 -2.096 9.932 9.559 1.00 0.00 C ATOM 1642 O PRO B 57 -0.978 10.449 9.674 1.00 0.00 O ATOM 1643 CB PRO B 57 -2.867 8.063 11.013 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.689 7.705 11.846 1.00 0.00 C ATOM 1645 CD PRO B 57 -0.701 7.076 10.912 1.00 0.00 C ATOM 0 HA PRO B 57 -2.916 8.188 8.789 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.416 8.900 11.444 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.565 7.230 10.937 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.266 8.588 12.325 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -1.969 7.014 12.642 1.00 0.00 H new ATOM 0 HD2 PRO B 57 0.324 7.313 11.197 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.788 5.990 10.912 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.217 10.618 9.350 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.246 12.067 9.260 1.00 0.00 C ATOM 1655 C GLU B 58 -2.710 12.692 10.537 1.00 0.00 C ATOM 1656 O GLU B 58 -2.743 12.085 11.610 1.00 0.00 O ATOM 1657 CB GLU B 58 -4.666 12.559 8.992 1.00 0.00 C ATOM 1658 CG GLU B 58 -5.288 11.940 7.755 1.00 0.00 C ATOM 1659 CD GLU B 58 -4.380 12.016 6.545 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -4.225 13.120 5.986 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -3.819 10.970 6.160 1.00 0.00 O ATOM 0 H GLU B 58 -4.131 10.179 9.239 1.00 0.00 H new ATOM 0 HA GLU B 58 -2.609 12.369 8.429 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.291 12.334 9.856 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -4.653 13.643 8.881 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -5.530 10.897 7.958 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -6.227 12.447 7.532 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.233 13.910 10.414 1.00 0.00 N ATOM 1669 CA GLY B 59 -1.642 14.593 11.539 1.00 0.00 C ATOM 1670 C GLY B 59 -0.157 14.660 11.328 1.00 0.00 C ATOM 1671 O GLY B 59 0.557 15.442 11.952 1.00 0.00 O ATOM 0 H GLY B 59 -2.243 14.446 9.546 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.057 15.596 11.634 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -1.870 14.065 12.465 1.00 0.00 H new ATOM 1675 N LYS B 60 0.294 13.806 10.423 1.00 0.00 N ATOM 1676 CA LYS B 60 1.686 13.742 10.041 1.00 0.00 C ATOM 1677 C LYS B 60 1.872 14.593 8.797 1.00 0.00 C ATOM 1678 O LYS B 60 0.898 14.944 8.136 1.00 0.00 O ATOM 1679 CB LYS B 60 2.104 12.293 9.761 1.00 0.00 C ATOM 1680 CG LYS B 60 2.508 11.510 11.002 1.00 0.00 C ATOM 1681 CD LYS B 60 2.548 10.015 10.720 1.00 0.00 C ATOM 1682 CE LYS B 60 3.552 9.291 11.608 1.00 0.00 C ATOM 1683 NZ LYS B 60 4.950 9.709 11.338 1.00 0.00 N ATOM 0 H LYS B 60 -0.301 13.138 9.934 1.00 0.00 H new ATOM 0 HA LYS B 60 2.311 14.116 10.852 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.278 11.776 9.272 1.00 0.00 H new ATOM 0 HB3 LYS B 60 2.938 12.296 9.059 1.00 0.00 H new ATOM 0 HG2 LYS B 60 3.487 11.845 11.344 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.803 11.712 11.808 1.00 0.00 H new ATOM 0 HD2 LYS B 60 1.556 9.591 10.875 1.00 0.00 H new ATOM 0 HD3 LYS B 60 2.805 9.851 9.674 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.313 9.484 12.654 1.00 0.00 H new ATOM 0 HE3 LYS B 60 3.461 8.216 11.453 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 5.599 8.941 11.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 5.059 9.922 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 5.173 10.557 11.897 1.00 0.00 H new ATOM 1697 N ALA B 61 3.105 14.930 8.474 1.00 0.00 N ATOM 1698 CA ALA B 61 3.367 15.744 7.299 1.00 0.00 C ATOM 1699 C ALA B 61 3.320 14.906 6.028 1.00 0.00 C ATOM 1700 O ALA B 61 3.421 15.437 4.924 1.00 0.00 O ATOM 1701 CB ALA B 61 4.715 16.440 7.428 1.00 0.00 C ATOM 0 H ALA B 61 3.935 14.657 9.001 1.00 0.00 H new ATOM 0 HA ALA B 61 2.586 16.501 7.231 1.00 0.00 H new ATOM 0 HB1 ALA B 61 4.898 17.046 6.541 1.00 0.00 H new ATOM 0 HB2 ALA B 61 4.711 17.080 8.310 1.00 0.00 H new ATOM 0 HB3 ALA B 61 5.502 15.693 7.526 1.00 0.00 H new ATOM 1707 N LYS B 62 3.161 13.593 6.185 1.00 0.00 N ATOM 1708 CA LYS B 62 3.120 12.694 5.039 1.00 0.00 C ATOM 1709 C LYS B 62 2.185 11.511 5.280 1.00 0.00 C ATOM 1710 O LYS B 62 2.220 10.885 6.345 1.00 0.00 O ATOM 1711 CB LYS B 62 4.515 12.137 4.728 1.00 0.00 C ATOM 1712 CG LYS B 62 5.665 13.113 4.930 1.00 0.00 C ATOM 1713 CD LYS B 62 6.667 12.573 5.935 1.00 0.00 C ATOM 1714 CE LYS B 62 8.097 12.877 5.525 1.00 0.00 C ATOM 1715 NZ LYS B 62 8.455 14.299 5.756 1.00 0.00 N ATOM 0 H LYS B 62 3.059 13.133 7.090 1.00 0.00 H new ATOM 0 HA LYS B 62 2.752 13.284 4.199 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.687 11.263 5.356 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.529 11.794 3.693 1.00 0.00 H new ATOM 0 HG2 LYS B 62 6.163 13.296 3.978 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.277 14.071 5.277 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.470 13.008 6.915 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.538 11.495 6.033 1.00 0.00 H new ATOM 0 HE2 LYS B 62 8.778 12.237 6.086 1.00 0.00 H new ATOM 0 HE3 LYS B 62 8.230 12.637 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 9.439 14.461 5.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 7.823 14.911 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 8.354 14.523 6.767 1.00 0.00 H new ATOM 1729 N ILE B 63 1.353 11.219 4.288 1.00 0.00 N ATOM 1730 CA ILE B 63 0.449 10.076 4.334 1.00 0.00 C ATOM 1731 C ILE B 63 1.223 8.896 3.755 1.00 0.00 C ATOM 1732 O ILE B 63 1.621 8.937 2.589 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.836 10.335 3.514 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.520 11.627 3.973 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.795 9.167 3.641 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.136 12.848 3.164 1.00 0.00 C ATOM 0 H ILE B 63 1.286 11.767 3.430 1.00 0.00 H new ATOM 0 HA ILE B 63 0.127 9.883 5.357 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.552 10.443 2.467 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.600 11.493 3.919 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.273 11.805 5.020 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.693 9.368 3.057 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -1.316 8.261 3.270 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.066 9.031 4.688 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.662 13.721 3.551 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -0.061 13.010 3.238 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.409 12.693 2.120 1.00 0.00 H new ATOM 1748 N GLN B 64 1.461 7.850 4.543 1.00 0.00 N ATOM 1749 CA GLN B 64 2.314 6.756 4.056 1.00 0.00 C ATOM 1750 C GLN B 64 1.830 5.349 4.406 1.00 0.00 C ATOM 1751 O GLN B 64 0.872 5.163 5.151 1.00 0.00 O ATOM 1752 CB GLN B 64 3.728 6.937 4.601 1.00 0.00 C ATOM 1753 CG GLN B 64 4.213 8.374 4.629 1.00 0.00 C ATOM 1754 CD GLN B 64 5.506 8.521 5.391 1.00 0.00 C ATOM 1755 OE1 GLN B 64 5.717 9.505 6.098 1.00 0.00 O ATOM 1756 NE2 GLN B 64 6.387 7.548 5.247 1.00 0.00 N ATOM 0 H GLN B 64 1.094 7.732 5.487 1.00 0.00 H new ATOM 0 HA GLN B 64 2.279 6.825 2.969 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.768 6.534 5.613 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.415 6.347 3.995 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.352 8.729 3.608 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.450 9.005 5.085 1.00 0.00 H new ATOM 0 HE21 GLN B 64 6.172 6.749 4.651 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.283 7.595 5.732 1.00 0.00 H new ATOM 1765 N LEU B 65 2.524 4.367 3.819 1.00 0.00 N ATOM 1766 CA LEU B 65 2.256 2.945 4.011 1.00 0.00 C ATOM 1767 C LEU B 65 3.565 2.170 4.252 1.00 0.00 C ATOM 1768 O LEU B 65 4.482 2.247 3.436 1.00 0.00 O ATOM 1769 CB LEU B 65 1.601 2.405 2.749 1.00 0.00 C ATOM 1770 CG LEU B 65 1.260 0.917 2.774 1.00 0.00 C ATOM 1771 CD1 LEU B 65 -0.148 0.687 3.289 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.441 0.308 1.396 1.00 0.00 C ATOM 0 H LEU B 65 3.303 4.547 3.185 1.00 0.00 H new ATOM 0 HA LEU B 65 1.607 2.820 4.878 1.00 0.00 H new ATOM 0 HB2 LEU B 65 0.685 2.967 2.566 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.265 2.594 1.906 1.00 0.00 H new ATOM 0 HG LEU B 65 1.947 0.422 3.460 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.363 -0.382 3.296 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.234 1.081 4.302 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.860 1.196 2.640 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.194 -0.753 1.432 1.00 0.00 H new ATOM 0 HD22 LEU B 65 0.783 0.810 0.687 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.477 0.429 1.078 1.00 0.00 H new ATOM 1784 N GLN B 66 3.676 1.461 5.377 1.00 0.00 N ATOM 1785 CA GLN B 66 4.870 0.664 5.652 1.00 0.00 C ATOM 1786 C GLN B 66 4.535 -0.823 5.519 1.00 0.00 C ATOM 1787 O GLN B 66 3.521 -1.291 6.035 1.00 0.00 O ATOM 1788 CB GLN B 66 5.464 0.967 7.033 1.00 0.00 C ATOM 1789 CG GLN B 66 4.805 0.239 8.195 1.00 0.00 C ATOM 1790 CD GLN B 66 5.787 -0.112 9.298 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.560 -1.040 10.074 1.00 0.00 O ATOM 1792 NE2 GLN B 66 6.892 0.616 9.371 1.00 0.00 N ATOM 0 H GLN B 66 2.962 1.423 6.104 1.00 0.00 H new ATOM 0 HA GLN B 66 5.630 0.933 4.919 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.524 0.712 7.019 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.397 2.040 7.212 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.011 0.863 8.606 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.336 -0.674 7.828 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.046 1.378 8.710 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.589 0.415 10.088 1.00 0.00 H new ATOM 1801 N LEU B 67 5.370 -1.553 4.805 1.00 0.00 N ATOM 1802 CA LEU B 67 5.158 -2.978 4.602 1.00 0.00 C ATOM 1803 C LEU B 67 5.960 -3.793 5.602 1.00 0.00 C ATOM 1804 O LEU B 67 7.114 -3.490 5.871 1.00 0.00 O ATOM 1805 CB LEU B 67 5.565 -3.383 3.183 1.00 0.00 C ATOM 1806 CG LEU B 67 4.727 -2.777 2.060 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.269 -3.211 0.710 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.268 -3.182 2.205 1.00 0.00 C ATOM 0 H LEU B 67 6.206 -1.183 4.353 1.00 0.00 H new ATOM 0 HA LEU B 67 4.097 -3.179 4.748 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.606 -3.101 3.028 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.514 -4.469 3.105 1.00 0.00 H new ATOM 0 HG LEU B 67 4.788 -1.691 2.127 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.663 -2.773 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.301 -2.875 0.607 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.233 -4.298 0.636 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.686 -2.741 1.396 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.186 -4.268 2.161 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.885 -2.828 3.162 1.00 0.00 H new ATOM 1820 N VAL B 68 5.331 -4.809 6.161 1.00 0.00 N ATOM 1821 CA VAL B 68 5.982 -5.695 7.112 1.00 0.00 C ATOM 1822 C VAL B 68 6.019 -7.100 6.530 1.00 0.00 C ATOM 1823 O VAL B 68 4.994 -7.781 6.456 1.00 0.00 O ATOM 1824 CB VAL B 68 5.239 -5.723 8.469 1.00 0.00 C ATOM 1825 CG1 VAL B 68 5.837 -6.771 9.401 1.00 0.00 C ATOM 1826 CG2 VAL B 68 5.258 -4.349 9.121 1.00 0.00 C ATOM 0 H VAL B 68 4.357 -5.045 5.971 1.00 0.00 H new ATOM 0 HA VAL B 68 6.991 -5.324 7.290 1.00 0.00 H new ATOM 0 HB VAL B 68 4.202 -5.997 8.278 1.00 0.00 H new ATOM 0 HG11 VAL B 68 5.295 -6.768 10.347 1.00 0.00 H new ATOM 0 HG12 VAL B 68 5.758 -7.756 8.940 1.00 0.00 H new ATOM 0 HG13 VAL B 68 6.886 -6.539 9.583 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.730 -4.391 10.074 1.00 0.00 H new ATOM 0 HG22 VAL B 68 6.290 -4.041 9.291 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.768 -3.629 8.466 1.00 0.00 H new ATOM 1836 N LEU B 69 7.184 -7.528 6.091 1.00 0.00 N ATOM 1837 CA LEU B 69 7.315 -8.847 5.505 1.00 0.00 C ATOM 1838 C LEU B 69 7.551 -9.877 6.598 1.00 0.00 C ATOM 1839 O LEU B 69 8.225 -9.594 7.587 1.00 0.00 O ATOM 1840 CB LEU B 69 8.445 -8.895 4.476 1.00 0.00 C ATOM 1841 CG LEU B 69 8.388 -7.826 3.380 1.00 0.00 C ATOM 1842 CD1 LEU B 69 9.003 -8.342 2.096 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.973 -7.358 3.111 1.00 0.00 C ATOM 0 H LEU B 69 8.048 -6.987 6.128 1.00 0.00 H new ATOM 0 HA LEU B 69 6.386 -9.080 4.985 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.395 -8.801 5.002 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.439 -9.877 4.002 1.00 0.00 H new ATOM 0 HG LEU B 69 8.962 -6.973 3.743 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.952 -7.567 1.331 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.045 -8.609 2.273 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.455 -9.222 1.758 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.983 -6.601 2.327 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.365 -8.204 2.791 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.551 -6.932 4.021 1.00 0.00 H new ATOM 1855 N HIS B 70 7.014 -11.078 6.415 1.00 0.00 N ATOM 1856 CA HIS B 70 7.170 -12.140 7.410 1.00 0.00 C ATOM 1857 C HIS B 70 8.558 -12.769 7.319 1.00 0.00 C ATOM 1858 O HIS B 70 8.850 -13.760 7.981 1.00 0.00 O ATOM 1859 CB HIS B 70 6.073 -13.210 7.268 1.00 0.00 C ATOM 1860 CG HIS B 70 5.747 -13.586 5.855 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.529 -13.368 5.251 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.516 -14.178 4.923 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.611 -13.831 3.997 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.794 -14.341 3.760 1.00 0.00 N ATOM 0 H HIS B 70 6.470 -11.343 5.594 1.00 0.00 H new ATOM 0 HA HIS B 70 7.064 -11.688 8.396 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.386 -14.105 7.805 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.166 -12.848 7.752 1.00 0.00 H new ATOM 0 HD1 HIS B 70 3.713 -12.933 5.681 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.543 -14.480 5.065 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.808 -13.789 3.276 1.00 0.00 H new ATOM 1872 N ALA B 71 9.404 -12.177 6.486 1.00 0.00 N ATOM 1873 CA ALA B 71 10.768 -12.644 6.307 1.00 0.00 C ATOM 1874 C ALA B 71 11.726 -11.803 7.143 1.00 0.00 C ATOM 1875 O ALA B 71 12.931 -12.040 7.154 1.00 0.00 O ATOM 1876 CB ALA B 71 11.155 -12.584 4.838 1.00 0.00 C ATOM 0 H ALA B 71 9.164 -11.364 5.919 1.00 0.00 H new ATOM 0 HA ALA B 71 10.831 -13.680 6.641 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.179 -12.936 4.717 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.483 -13.217 4.258 1.00 0.00 H new ATOM 0 HB3 ALA B 71 11.081 -11.556 4.484 1.00 0.00 H new ATOM 1882 N GLY B 72 11.172 -10.818 7.844 1.00 0.00 N ATOM 1883 CA GLY B 72 11.985 -9.944 8.667 1.00 0.00 C ATOM 1884 C GLY B 72 12.398 -8.689 7.926 1.00 0.00 C ATOM 1885 O GLY B 72 13.490 -8.165 8.138 1.00 0.00 O ATOM 0 H GLY B 72 10.173 -10.610 7.856 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.429 -9.669 9.563 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.875 -10.480 8.996 1.00 0.00 H new ATOM 1889 N ASP B 73 11.516 -8.208 7.059 1.00 0.00 N ATOM 1890 CA ASP B 73 11.785 -7.011 6.268 1.00 0.00 C ATOM 1891 C ASP B 73 10.636 -6.015 6.408 1.00 0.00 C ATOM 1892 O ASP B 73 9.505 -6.405 6.692 1.00 0.00 O ATOM 1893 CB ASP B 73 11.982 -7.385 4.792 1.00 0.00 C ATOM 1894 CG ASP B 73 12.077 -6.173 3.883 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.834 -5.236 4.215 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.390 -6.156 2.840 1.00 0.00 O ATOM 0 H ASP B 73 10.604 -8.630 6.884 1.00 0.00 H new ATOM 0 HA ASP B 73 12.699 -6.546 6.638 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.889 -7.980 4.691 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.152 -8.012 4.467 1.00 0.00 H new ATOM 1901 N THR B 74 10.935 -4.739 6.218 1.00 0.00 N ATOM 1902 CA THR B 74 9.937 -3.685 6.308 1.00 0.00 C ATOM 1903 C THR B 74 10.227 -2.611 5.263 1.00 0.00 C ATOM 1904 O THR B 74 11.356 -2.138 5.150 1.00 0.00 O ATOM 1905 CB THR B 74 9.907 -3.044 7.711 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.243 -2.873 8.202 1.00 0.00 O ATOM 1907 CG2 THR B 74 9.108 -3.894 8.690 1.00 0.00 C ATOM 0 H THR B 74 11.874 -4.406 5.998 1.00 0.00 H new ATOM 0 HA THR B 74 8.961 -4.134 6.123 1.00 0.00 H new ATOM 0 HB THR B 74 9.421 -2.072 7.625 1.00 0.00 H new ATOM 0 HG1 THR B 74 11.215 -2.464 9.092 1.00 0.00 H new ATOM 0 HG21 THR B 74 9.106 -3.416 9.669 1.00 0.00 H new ATOM 0 HG22 THR B 74 8.083 -3.994 8.333 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.563 -4.881 8.770 1.00 0.00 H new ATOM 1915 N THR B 75 9.211 -2.217 4.510 1.00 0.00 N ATOM 1916 CA THR B 75 9.391 -1.218 3.470 1.00 0.00 C ATOM 1917 C THR B 75 8.487 -0.005 3.686 1.00 0.00 C ATOM 1918 O THR B 75 7.266 -0.119 3.667 1.00 0.00 O ATOM 1919 CB THR B 75 9.091 -1.829 2.096 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.391 -3.231 2.116 1.00 0.00 O ATOM 1921 CG2 THR B 75 9.912 -1.147 1.013 1.00 0.00 C ATOM 0 H THR B 75 8.259 -2.572 4.599 1.00 0.00 H new ATOM 0 HA THR B 75 10.428 -0.885 3.515 1.00 0.00 H new ATOM 0 HB THR B 75 8.034 -1.683 1.875 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.800 -3.701 1.491 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.684 -1.596 0.046 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.669 -0.085 0.986 1.00 0.00 H new ATOM 0 HG23 THR B 75 10.973 -1.271 1.229 1.00 0.00 H new ATOM 1929 N ASN B 76 9.093 1.156 3.885 1.00 0.00 N ATOM 1930 CA ASN B 76 8.339 2.390 4.101 1.00 0.00 C ATOM 1931 C ASN B 76 8.057 3.095 2.780 1.00 0.00 C ATOM 1932 O ASN B 76 8.970 3.309 1.989 1.00 0.00 O ATOM 1933 CB ASN B 76 9.122 3.335 5.006 1.00 0.00 C ATOM 1934 CG ASN B 76 8.967 2.996 6.468 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.855 1.833 6.848 1.00 0.00 O ATOM 1936 ND2 ASN B 76 8.942 4.017 7.295 1.00 0.00 N ATOM 0 H ASN B 76 10.106 1.273 3.902 1.00 0.00 H new ATOM 0 HA ASN B 76 7.393 2.123 4.573 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.178 3.298 4.738 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.786 4.358 4.836 1.00 0.00 H new ATOM 0 HD21 ASN B 76 8.826 3.860 8.296 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.039 4.967 6.936 1.00 0.00 H new ATOM 1943 N PHE B 77 6.800 3.451 2.541 1.00 0.00 N ATOM 1944 CA PHE B 77 6.424 4.142 1.312 1.00 0.00 C ATOM 1945 C PHE B 77 5.638 5.417 1.611 1.00 0.00 C ATOM 1946 O PHE B 77 4.496 5.362 2.066 1.00 0.00 O ATOM 1947 CB PHE B 77 5.599 3.223 0.407 1.00 0.00 C ATOM 1948 CG PHE B 77 6.409 2.144 -0.253 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.620 2.443 -0.855 1.00 0.00 C ATOM 1950 CD2 PHE B 77 5.964 0.833 -0.269 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.371 1.458 -1.461 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.711 -0.158 -0.875 1.00 0.00 C ATOM 1953 CZ PHE B 77 7.918 0.155 -1.472 1.00 0.00 C ATOM 0 H PHE B 77 6.025 3.273 3.180 1.00 0.00 H new ATOM 0 HA PHE B 77 7.343 4.418 0.796 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.807 2.762 0.997 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.115 3.824 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE B 77 7.981 3.461 -0.850 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.023 0.583 0.197 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.313 1.706 -1.927 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.353 -1.177 -0.883 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.505 -0.618 -1.946 1.00 0.00 H new ATOM 1963 N HIS B 78 6.267 6.559 1.367 1.00 0.00 N ATOM 1964 CA HIS B 78 5.651 7.861 1.584 1.00 0.00 C ATOM 1965 C HIS B 78 4.940 8.314 0.309 1.00 0.00 C ATOM 1966 O HIS B 78 5.561 8.448 -0.744 1.00 0.00 O ATOM 1967 CB HIS B 78 6.747 8.857 2.021 1.00 0.00 C ATOM 1968 CG HIS B 78 6.450 10.329 1.853 1.00 0.00 C ATOM 1969 ND1 HIS B 78 5.281 10.989 1.642 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 7.428 11.300 1.881 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 5.538 12.353 1.533 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 6.842 12.486 1.683 1.00 0.00 N flip ATOM 0 H HIS B 78 7.222 6.608 1.012 1.00 0.00 H new ATOM 0 HA HIS B 78 4.900 7.807 2.372 1.00 0.00 H new ATOM 0 HB2 HIS B 78 6.969 8.675 3.073 1.00 0.00 H new ATOM 0 HB3 HIS B 78 7.653 8.629 1.460 1.00 0.00 H new ATOM 0 HD2 HIS B 78 8.484 11.132 2.036 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.818 13.140 1.361 1.00 0.00 H new ATOM 0 HE2 HIS B 78 7.338 13.377 1.652 1.00 0.00 H new ATOM 1980 N PHE B 79 3.638 8.540 0.407 1.00 0.00 N ATOM 1981 CA PHE B 79 2.857 8.981 -0.738 1.00 0.00 C ATOM 1982 C PHE B 79 2.964 10.493 -0.891 1.00 0.00 C ATOM 1983 O PHE B 79 2.154 11.246 -0.354 1.00 0.00 O ATOM 1984 CB PHE B 79 1.392 8.560 -0.591 1.00 0.00 C ATOM 1985 CG PHE B 79 1.187 7.072 -0.636 1.00 0.00 C ATOM 1986 CD1 PHE B 79 1.380 6.295 0.496 1.00 0.00 C ATOM 1987 CD2 PHE B 79 0.802 6.450 -1.811 1.00 0.00 C ATOM 1988 CE1 PHE B 79 1.194 4.927 0.454 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.614 5.082 -1.858 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.810 4.320 -0.723 1.00 0.00 C ATOM 0 H PHE B 79 3.101 8.425 1.267 1.00 0.00 H new ATOM 0 HA PHE B 79 3.257 8.507 -1.634 1.00 0.00 H new ATOM 0 HB2 PHE B 79 1.005 8.943 0.353 1.00 0.00 H new ATOM 0 HB3 PHE B 79 0.808 9.023 -1.386 1.00 0.00 H new ATOM 0 HD1 PHE B 79 1.679 6.765 1.421 1.00 0.00 H new ATOM 0 HD2 PHE B 79 0.647 7.041 -2.702 1.00 0.00 H new ATOM 0 HE1 PHE B 79 1.349 4.333 1.343 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.314 4.609 -2.781 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.663 3.251 -0.757 1.00 0.00 H new ATOM 2000 N SER B 80 3.982 10.927 -1.618 1.00 0.00 N ATOM 2001 CA SER B 80 4.225 12.344 -1.847 1.00 0.00 C ATOM 2002 C SER B 80 3.459 12.842 -3.072 1.00 0.00 C ATOM 2003 O SER B 80 3.714 13.934 -3.582 1.00 0.00 O ATOM 2004 CB SER B 80 5.725 12.579 -2.025 1.00 0.00 C ATOM 2005 OG SER B 80 6.331 11.486 -2.699 1.00 0.00 O ATOM 0 H SER B 80 4.661 10.310 -2.064 1.00 0.00 H new ATOM 0 HA SER B 80 3.869 12.905 -0.983 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.889 13.497 -2.590 1.00 0.00 H new ATOM 0 HB3 SER B 80 6.194 12.716 -1.051 1.00 0.00 H new ATOM 0 HG SER B 80 5.698 11.108 -3.344 1.00 0.00 H new ATOM 2011 N ASN B 81 2.523 12.031 -3.540 1.00 0.00 N ATOM 2012 CA ASN B 81 1.718 12.381 -4.697 1.00 0.00 C ATOM 2013 C ASN B 81 0.599 13.313 -4.264 1.00 0.00 C ATOM 2014 O ASN B 81 -0.475 12.871 -3.880 1.00 0.00 O ATOM 2015 CB ASN B 81 1.144 11.118 -5.347 1.00 0.00 C ATOM 2016 CG ASN B 81 0.703 11.352 -6.777 1.00 0.00 C ATOM 2017 OD1 ASN B 81 1.269 12.186 -7.486 1.00 0.00 O ATOM 2018 ND2 ASN B 81 -0.297 10.612 -7.217 1.00 0.00 N ATOM 0 H ASN B 81 2.302 11.122 -3.133 1.00 0.00 H new ATOM 0 HA ASN B 81 2.342 12.887 -5.434 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.896 10.329 -5.326 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.295 10.765 -4.761 1.00 0.00 H new ATOM 0 HD21 ASN B 81 -0.628 10.720 -8.176 1.00 0.00 H new ATOM 0 HD22 ASN B 81 -0.739 9.932 -6.598 1.00 0.00 H new ATOM 2025 N GLU B 82 0.861 14.610 -4.340 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.097 15.633 -3.918 1.00 0.00 C ATOM 2027 C GLU B 82 -1.468 15.486 -4.588 1.00 0.00 C ATOM 2028 O GLU B 82 -2.471 15.981 -4.074 1.00 0.00 O ATOM 2029 CB GLU B 82 0.475 17.033 -4.187 1.00 0.00 C ATOM 2030 CG GLU B 82 0.489 17.447 -5.658 1.00 0.00 C ATOM 2031 CD GLU B 82 1.319 16.527 -6.534 1.00 0.00 C ATOM 2032 OE1 GLU B 82 2.525 16.357 -6.261 1.00 0.00 O ATOM 2033 OE2 GLU B 82 0.771 15.964 -7.499 1.00 0.00 O ATOM 0 H GLU B 82 1.740 14.987 -4.694 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.254 15.494 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.107 17.763 -3.624 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.494 17.074 -3.803 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.535 17.467 -6.032 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.878 18.462 -5.739 1.00 0.00 H new ATOM 2040 N SER B 83 -1.512 14.796 -5.716 1.00 0.00 N ATOM 2041 CA SER B 83 -2.751 14.610 -6.447 1.00 0.00 C ATOM 2042 C SER B 83 -3.713 13.649 -5.732 1.00 0.00 C ATOM 2043 O SER B 83 -4.863 14.006 -5.443 1.00 0.00 O ATOM 2044 CB SER B 83 -2.437 14.092 -7.850 1.00 0.00 C ATOM 2045 OG SER B 83 -1.043 14.154 -8.118 1.00 0.00 O ATOM 0 H SER B 83 -0.699 14.354 -6.145 1.00 0.00 H new ATOM 0 HA SER B 83 -3.252 15.576 -6.506 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.784 13.063 -7.947 1.00 0.00 H new ATOM 0 HB3 SER B 83 -2.979 14.682 -8.589 1.00 0.00 H new ATOM 0 HG SER B 83 -0.729 15.075 -8.005 1.00 0.00 H new ATOM 2051 N THR B 84 -3.254 12.441 -5.430 1.00 0.00 N ATOM 2052 CA THR B 84 -4.117 11.448 -4.805 1.00 0.00 C ATOM 2053 C THR B 84 -3.470 10.720 -3.618 1.00 0.00 C ATOM 2054 O THR B 84 -3.948 9.663 -3.233 1.00 0.00 O ATOM 2055 CB THR B 84 -4.548 10.413 -5.863 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.523 10.295 -6.855 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.850 10.814 -6.538 1.00 0.00 C ATOM 0 H THR B 84 -2.299 12.128 -5.606 1.00 0.00 H new ATOM 0 HA THR B 84 -4.974 11.990 -4.405 1.00 0.00 H new ATOM 0 HB THR B 84 -4.704 9.459 -5.359 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.651 10.213 -6.416 1.00 0.00 H new ATOM 0 HG21 THR B 84 -6.123 10.061 -7.278 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.639 10.891 -5.790 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.722 11.778 -7.031 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.431 11.315 -3.027 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.683 10.725 -1.894 1.00 0.00 C ATOM 2067 C ALA B 85 -2.538 9.890 -0.937 1.00 0.00 C ATOM 2068 O ALA B 85 -2.406 8.668 -0.883 1.00 0.00 O ATOM 2069 CB ALA B 85 -0.985 11.823 -1.105 1.00 0.00 C ATOM 0 H ALA B 85 -2.076 12.226 -3.317 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.963 10.041 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.437 11.381 -0.273 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.290 12.354 -1.756 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.727 12.522 -0.720 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.404 10.559 -0.181 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.267 9.889 0.792 1.00 0.00 C ATOM 2077 C VAL B 86 -5.124 8.803 0.145 1.00 0.00 C ATOM 2078 O VAL B 86 -5.229 7.688 0.653 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.203 10.896 1.493 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -5.816 10.277 2.737 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.463 12.179 1.840 1.00 0.00 C ATOM 0 H VAL B 86 -3.528 11.571 -0.223 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.602 9.429 1.523 1.00 0.00 H new ATOM 0 HB VAL B 86 -6.007 11.149 0.802 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.473 11.002 3.218 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.392 9.394 2.458 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -5.024 9.990 3.429 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.146 12.871 2.333 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.633 11.951 2.508 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -4.079 12.636 0.928 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.706 9.137 -0.995 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.577 8.220 -1.721 1.00 0.00 C ATOM 2093 C LYS B 87 -5.815 6.973 -2.178 1.00 0.00 C ATOM 2094 O LYS B 87 -6.304 5.852 -2.037 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.197 8.947 -2.918 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.747 10.326 -2.566 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.537 11.319 -3.699 1.00 0.00 C ATOM 2098 CE LYS B 87 -7.705 12.760 -3.235 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.365 13.739 -4.309 1.00 0.00 N ATOM 0 H LYS B 87 -5.591 10.046 -1.444 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.370 7.888 -1.052 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.445 9.052 -3.700 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -8.001 8.336 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.811 10.248 -2.343 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.258 10.694 -1.664 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.539 11.187 -4.116 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.247 11.111 -4.499 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.734 12.919 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.068 12.938 -2.368 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.637 14.696 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.342 13.711 -4.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -7.880 13.493 -5.179 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.618 7.177 -2.716 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.784 6.076 -3.179 1.00 0.00 C ATOM 2115 C GLU B 88 -3.334 5.228 -1.998 1.00 0.00 C ATOM 2116 O GLU B 88 -3.351 4.003 -2.060 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.561 6.610 -3.934 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.862 7.067 -5.353 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.773 7.956 -5.928 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.645 9.110 -5.468 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.059 7.522 -6.853 1.00 0.00 O ATOM 0 H GLU B 88 -4.202 8.100 -2.842 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.372 5.459 -3.858 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.138 7.446 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.799 5.831 -3.968 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.987 6.193 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.809 7.607 -5.363 1.00 0.00 H new ATOM 2128 N ARG B 89 -2.958 5.901 -0.914 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.497 5.240 0.304 1.00 0.00 C ATOM 2130 C ARG B 89 -3.484 4.176 0.781 1.00 0.00 C ATOM 2131 O ARG B 89 -3.097 3.037 1.055 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.268 6.285 1.404 1.00 0.00 C ATOM 2133 CG ARG B 89 -2.006 5.703 2.787 1.00 0.00 C ATOM 2134 CD ARG B 89 -3.213 5.880 3.700 1.00 0.00 C ATOM 2135 NE ARG B 89 -2.825 6.211 5.072 1.00 0.00 N ATOM 2136 CZ ARG B 89 -3.645 6.126 6.126 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -4.926 5.810 5.966 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -3.189 6.397 7.339 1.00 0.00 N ATOM 0 H ARG B 89 -2.964 6.919 -0.855 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.558 4.735 0.078 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.422 6.911 1.121 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.142 6.935 1.457 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -1.767 4.643 2.699 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -1.137 6.190 3.230 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -3.853 6.669 3.305 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -3.802 4.963 3.702 1.00 0.00 H new ATOM 0 HE ARG B 89 -1.869 6.526 5.235 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -5.294 5.629 5.032 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -5.541 5.748 6.777 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -2.215 6.670 7.468 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -3.812 6.333 8.144 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.754 4.539 0.870 1.00 0.00 N ATOM 2153 CA ASP B 90 -5.770 3.605 1.334 1.00 0.00 C ATOM 2154 C ASP B 90 -6.166 2.597 0.270 1.00 0.00 C ATOM 2155 O ASP B 90 -6.543 1.474 0.600 1.00 0.00 O ATOM 2156 CB ASP B 90 -6.997 4.341 1.862 1.00 0.00 C ATOM 2157 CG ASP B 90 -6.880 4.608 3.346 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -6.325 5.653 3.723 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -7.313 3.744 4.137 1.00 0.00 O ATOM 0 H ASP B 90 -5.105 5.466 0.629 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.322 3.044 2.154 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.116 5.284 1.329 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -7.891 3.749 1.666 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.043 2.969 -0.998 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.396 2.061 -2.079 1.00 0.00 C ATOM 2166 C ALA B 91 -5.357 0.963 -2.136 1.00 0.00 C ATOM 2167 O ALA B 91 -5.672 -0.212 -2.326 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.488 2.793 -3.406 1.00 0.00 C ATOM 0 H ALA B 91 -5.705 3.883 -1.300 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.379 1.631 -1.888 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.753 2.087 -4.193 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.251 3.569 -3.342 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.526 3.249 -3.637 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.110 1.371 -1.952 1.00 0.00 N ATOM 2175 CA VAL B 92 -2.998 0.448 -1.927 1.00 0.00 C ATOM 2176 C VAL B 92 -3.140 -0.449 -0.710 1.00 0.00 C ATOM 2177 O VAL B 92 -2.963 -1.659 -0.793 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.653 1.201 -1.866 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.514 0.259 -1.549 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.386 1.923 -3.170 1.00 0.00 C ATOM 0 H VAL B 92 -3.847 2.347 -1.817 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.008 -0.146 -2.841 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.720 1.937 -1.065 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.421 0.818 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.692 -0.215 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.449 -0.507 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.433 2.448 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.349 1.200 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.184 2.641 -3.358 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.486 0.174 0.412 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.687 -0.532 1.668 1.00 0.00 C ATOM 2192 C LYS B 93 -4.675 -1.673 1.479 1.00 0.00 C ATOM 2193 O LYS B 93 -4.355 -2.835 1.720 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.216 0.443 2.729 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.343 -0.153 4.124 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.751 -0.668 4.412 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.703 0.451 4.820 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.251 1.186 3.648 1.00 0.00 N ATOM 0 H LYS B 93 -3.634 1.181 0.474 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.734 -0.945 1.998 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.552 1.306 2.775 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.193 0.809 2.413 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.631 -0.971 4.233 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.077 0.602 4.864 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.141 -1.169 3.526 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.708 -1.413 5.206 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.526 0.031 5.399 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.179 1.150 5.471 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.213 1.516 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.644 2.003 3.436 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.279 0.553 2.823 1.00 0.00 H new ATOM 2212 N ASP B 94 -5.864 -1.318 1.034 1.00 0.00 N ATOM 2213 CA ASP B 94 -6.931 -2.286 0.802 1.00 0.00 C ATOM 2214 C ASP B 94 -6.510 -3.377 -0.170 1.00 0.00 C ATOM 2215 O ASP B 94 -6.517 -4.553 0.183 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.185 -1.581 0.283 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.114 -1.158 1.402 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.763 -0.214 2.142 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.189 -1.769 1.542 1.00 0.00 O ATOM 0 H ASP B 94 -6.123 -0.354 0.822 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.150 -2.761 1.758 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -7.893 -0.704 -0.294 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.718 -2.246 -0.396 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.122 -2.985 -1.381 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.712 -3.946 -2.404 1.00 0.00 C ATOM 2226 C LEU B 95 -4.626 -4.882 -1.880 1.00 0.00 C ATOM 2227 O LEU B 95 -4.699 -6.097 -2.065 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.224 -3.220 -3.661 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.082 -4.100 -4.909 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.411 -4.748 -5.266 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.562 -3.281 -6.081 1.00 0.00 C ATOM 0 H LEU B 95 -6.083 -2.010 -1.679 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.583 -4.548 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.917 -2.409 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.258 -2.764 -3.446 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.363 -4.889 -4.689 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.287 -5.368 -6.154 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -6.748 -5.368 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.152 -3.973 -5.465 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.467 -3.921 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -5.259 -2.471 -6.296 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.587 -2.864 -5.829 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.640 -4.316 -1.200 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.544 -5.098 -0.649 1.00 0.00 C ATOM 2245 C LEU B 96 -3.017 -6.081 0.412 1.00 0.00 C ATOM 2246 O LEU B 96 -2.753 -7.279 0.307 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.479 -4.184 -0.049 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.369 -3.759 -1.003 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.540 -2.747 -0.333 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.431 -4.970 -1.448 1.00 0.00 C ATOM 0 H LEU B 96 -3.577 -3.315 -1.016 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.118 -5.667 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -1.968 -3.288 0.335 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.028 -4.691 0.804 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.820 -3.296 -1.880 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.329 -2.452 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.040 -1.869 -0.048 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.986 -3.191 0.557 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.221 -4.654 -2.129 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.874 -5.453 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.227 -5.674 -1.957 1.00 0.00 H new ATOM 2262 N GLN B 97 -3.739 -5.590 1.416 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.196 -6.454 2.497 1.00 0.00 C ATOM 2264 C GLN B 97 -5.211 -7.472 2.007 1.00 0.00 C ATOM 2265 O GLN B 97 -5.370 -8.523 2.612 1.00 0.00 O ATOM 2266 CB GLN B 97 -4.739 -5.646 3.688 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.093 -4.994 3.478 1.00 0.00 C ATOM 2268 CD GLN B 97 -6.708 -4.525 4.785 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.346 -5.176 5.885 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.485 -3.576 4.812 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.016 -4.612 1.502 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.326 -7.005 2.854 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -4.805 -6.307 4.552 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.016 -4.868 3.936 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -5.986 -4.145 2.803 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -6.766 -5.703 2.995 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -7.740 -3.101 3.946 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -7.876 -3.262 5.700 1.00 0.00 H new ATOM 2279 N GLN B 98 -5.875 -7.174 0.903 1.00 0.00 N ATOM 2280 CA GLN B 98 -6.847 -8.094 0.338 1.00 0.00 C ATOM 2281 C GLN B 98 -6.137 -9.243 -0.371 1.00 0.00 C ATOM 2282 O GLN B 98 -6.589 -10.389 -0.336 1.00 0.00 O ATOM 2283 CB GLN B 98 -7.768 -7.366 -0.643 1.00 0.00 C ATOM 2284 CG GLN B 98 -8.907 -6.620 0.033 1.00 0.00 C ATOM 2285 CD GLN B 98 -9.501 -5.537 -0.847 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -9.509 -5.649 -2.073 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -9.998 -4.477 -0.227 1.00 0.00 N ATOM 0 H GLN B 98 -5.759 -6.305 0.382 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.451 -8.497 1.151 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.178 -6.660 -1.227 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.184 -8.090 -1.344 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.688 -7.329 0.307 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.544 -6.172 0.958 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -9.972 -4.423 0.791 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.407 -3.715 -0.768 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.014 -8.936 -1.007 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.249 -9.941 -1.737 1.00 0.00 C ATOM 2298 C LEU B 99 -3.262 -10.673 -0.831 1.00 0.00 C ATOM 2299 O LEU B 99 -2.874 -11.807 -1.110 1.00 0.00 O ATOM 2300 CB LEU B 99 -3.506 -9.290 -2.901 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.414 -8.610 -3.919 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -3.632 -7.608 -4.755 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.087 -9.643 -4.811 1.00 0.00 C ATOM 0 H LEU B 99 -4.612 -7.999 -1.033 1.00 0.00 H new ATOM 0 HA LEU B 99 -4.954 -10.678 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -2.807 -8.553 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -2.913 -10.050 -3.410 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.189 -8.069 -3.376 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.300 -7.135 -5.475 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.203 -6.847 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -2.832 -8.123 -5.287 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.731 -9.138 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.327 -10.215 -5.343 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.686 -10.317 -4.199 1.00 0.00 H new ATOM 2315 N LEU B 100 -2.873 -10.019 0.257 1.00 0.00 N ATOM 2316 CA LEU B 100 -1.916 -10.575 1.218 1.00 0.00 C ATOM 2317 C LEU B 100 -2.206 -12.016 1.645 1.00 0.00 C ATOM 2318 O LEU B 100 -1.344 -12.886 1.487 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.807 -9.681 2.451 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.723 -8.627 2.349 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.577 -7.867 3.656 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.579 -9.297 1.969 1.00 0.00 C ATOM 0 H LEU B 100 -3.210 -9.088 0.502 1.00 0.00 H new ATOM 0 HA LEU B 100 -0.965 -10.604 0.686 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.765 -9.188 2.617 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.614 -10.304 3.324 1.00 0.00 H new ATOM 0 HG LEU B 100 -0.997 -7.903 1.581 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.207 -7.117 3.555 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.519 -7.376 3.899 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.314 -8.562 4.454 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.366 -8.546 1.893 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.848 -10.029 2.731 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.463 -9.799 1.009 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.397 -12.311 2.189 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.714 -13.659 2.640 1.00 0.00 C ATOM 2336 C PRO B 101 -4.058 -14.595 1.484 1.00 0.00 C ATOM 2337 O PRO B 101 -4.155 -15.807 1.662 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.900 -13.446 3.574 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.565 -12.198 3.104 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.519 -11.378 2.401 1.00 0.00 C ATOM 0 HA PRO B 101 -2.869 -14.145 3.128 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.585 -14.293 3.536 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.571 -13.348 4.609 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.389 -12.431 2.430 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -5.987 -11.646 3.944 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -4.892 -10.985 1.455 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.215 -10.522 3.004 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.222 -14.028 0.296 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.519 -14.819 -0.888 1.00 0.00 C ATOM 2350 C LYS B 102 -3.235 -15.460 -1.394 1.00 0.00 C ATOM 2351 O LYS B 102 -3.195 -16.642 -1.738 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.124 -13.947 -1.993 1.00 0.00 C ATOM 2353 CG LYS B 102 -6.532 -13.456 -1.704 1.00 0.00 C ATOM 2354 CD LYS B 102 -7.108 -12.718 -2.903 1.00 0.00 C ATOM 2355 CE LYS B 102 -8.561 -12.337 -2.686 1.00 0.00 C ATOM 2356 NZ LYS B 102 -8.710 -11.211 -1.730 1.00 0.00 N ATOM 0 H LYS B 102 -4.154 -13.024 0.128 1.00 0.00 H new ATOM 0 HA LYS B 102 -5.245 -15.588 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -4.477 -13.084 -2.154 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.134 -14.515 -2.923 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.171 -14.302 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -6.520 -12.795 -0.837 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.521 -11.819 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.026 -13.346 -3.790 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.009 -12.062 -3.641 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.110 -13.202 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.363 -11.486 -0.969 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -7.782 -10.976 -1.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -9.090 -10.381 -2.228 1.00 0.00 H new ATOM 2370 N PHE B 103 -2.177 -14.657 -1.405 1.00 0.00 N ATOM 2371 CA PHE B 103 -0.866 -15.098 -1.861 1.00 0.00 C ATOM 2372 C PHE B 103 -0.075 -15.723 -0.726 1.00 0.00 C ATOM 2373 O PHE B 103 1.073 -16.110 -0.903 1.00 0.00 O ATOM 2374 CB PHE B 103 -0.100 -13.926 -2.468 1.00 0.00 C ATOM 2375 CG PHE B 103 -0.660 -13.499 -3.793 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -1.706 -12.594 -3.856 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -0.153 -14.017 -4.972 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -2.236 -12.211 -5.069 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -0.679 -13.635 -6.191 1.00 0.00 C ATOM 2380 CZ PHE B 103 -1.722 -12.733 -6.238 1.00 0.00 C ATOM 0 H PHE B 103 -2.205 -13.684 -1.099 1.00 0.00 H new ATOM 0 HA PHE B 103 -1.008 -15.860 -2.627 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -0.125 -13.083 -1.778 1.00 0.00 H new ATOM 0 HB3 PHE B 103 0.946 -14.205 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.112 -12.183 -2.943 1.00 0.00 H new ATOM 0 HD2 PHE B 103 0.661 -14.726 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -3.052 -11.504 -5.104 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -0.274 -14.042 -7.106 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.136 -12.436 -7.190 1.00 0.00 H new