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 13 LYS NZ :NH3+ -152:sc= 0.666 (180deg=-2.16!) USER MOD Set 1.2: B 81 ASN : amide:sc= -1.93! C(o=1.2!,f=-9.1!) USER MOD Set 1.3: B 83 SER OG : rot -82:sc= 1.27 USER MOD Set 1.4: B 84 THR OG1 : rot 60:sc= 1.16 USER MOD Set 2.1: B 66 GLN : amide:sc= -2.41 K(o=-3.7,f=-4.8!) USER MOD Set 2.2: B 76 ASN : amide:sc= -1.25 K(o=-3.7,f=-6) USER MOD Set 3.1: B 45 HIS : no HD1:sc= -1.58 K(o=-2,f=-3.1!) USER MOD Set 3.2: B 75 THR OG1 : rot 118:sc= -0.389 USER MOD Set 4.1: B 17 GLN : amide:sc= 0.321 K(o=0.87,f=-1.4!) USER MOD Set 4.2: B 20 GLN : amide:sc= 0.554 K(o=0.87,f=-1.7) USER MOD Single : B 14 LYS NZ :NH3+ 164:sc= -0.13 (180deg=-0.637) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 LYS NZ :NH3+ 166:sc= -0.316 (180deg=-0.934) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl -116:sc= -0.0754 (180deg=-3.76!) USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 46 MET CE :methyl 165:sc= -0.878 (180deg=-2.14!) USER MOD Single : B 47 TYR OH : rot 30:sc= 1.06 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 52 CYS SG : rot -13:sc= -0.973 USER MOD Single : B 53 GLN : amide:sc= -5.37! C(o=-5.4!,f=-8.7!) USER MOD Single : B 54 LYS NZ :NH3+ 178:sc= 1.08 (180deg=1) USER MOD Single : B 56 SER OG : rot 20:sc= -0.166! USER MOD Single : B 60 LYS NZ :NH3+ -159:sc= -0.779 (180deg=-1.14!) USER MOD Single : B 62 LYS NZ :NH3+ -115:sc= -0.62 (180deg=-1.29) USER MOD Single : B 64 GLN : amide:sc= -2.85 K(o=-2.8,f=-6.2!) USER MOD Single : B 70 HIS : no HE2:sc= -6.46! C(o=-6.5!,f=-8.4!) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS :FLIP no HD1:sc= -2.15 F(o=-2.9,f=-2.2) USER MOD Single : B 80 SER OG : rot 22:sc= -0.243 USER MOD Single : B 87 LYS NZ :NH3+ 175:sc= 1.3 (180deg=1.18) USER MOD Single : B 93 LYS NZ :NH3+ 150:sc= -0.856 (180deg=-1.25!) USER MOD Single : B 97 GLN :FLIP amide:sc= -1.3 F(o=-3.6!,f=-1.3) USER MOD Single : B 98 GLN : amide:sc= -0.04 X(o=-0.04,f=-0.27) USER MOD Single : B 102 LYS NZ :NH3+ 170:sc= 1.22 (180deg=0.72) USER MOD ----------------------------------------------------------------- ATOM 339 N ASP A 132 4.889 4.730 13.355 1.00 0.00 N ATOM 340 CA ASP A 132 3.616 5.384 13.549 1.00 0.00 C ATOM 341 C ASP A 132 2.675 5.091 12.402 1.00 0.00 C ATOM 342 O ASP A 132 2.469 5.921 11.514 1.00 0.00 O ATOM 343 CB ASP A 132 3.794 6.887 13.678 1.00 0.00 C ATOM 344 CG ASP A 132 5.116 7.433 13.121 1.00 0.00 C ATOM 345 OD1 ASP A 132 5.662 6.871 12.143 1.00 0.00 O ATOM 346 OD2 ASP A 132 5.574 8.485 13.615 1.00 0.00 O ATOM 0 HA ASP A 132 3.186 4.993 14.471 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.969 7.381 13.165 1.00 0.00 H new ATOM 0 HB3 ASP A 132 3.722 7.157 14.731 1.00 0.00 H new ATOM 351 N TRP A 133 2.127 3.896 12.415 1.00 0.00 N ATOM 352 CA TRP A 133 1.207 3.466 11.380 1.00 0.00 C ATOM 353 C TRP A 133 0.079 2.635 11.951 1.00 0.00 C ATOM 354 O TRP A 133 0.292 1.844 12.869 1.00 0.00 O ATOM 355 CB TRP A 133 1.913 2.565 10.373 1.00 0.00 C ATOM 356 CG TRP A 133 3.329 2.898 10.049 1.00 0.00 C ATOM 357 CD1 TRP A 133 4.418 2.708 10.836 1.00 0.00 C ATOM 358 CD2 TRP A 133 3.814 3.419 8.822 1.00 0.00 C ATOM 359 NE1 TRP A 133 5.543 3.127 10.182 1.00 0.00 N ATOM 360 CE2 TRP A 133 5.200 3.567 8.947 1.00 0.00 C ATOM 361 CE3 TRP A 133 3.210 3.790 7.638 1.00 0.00 C ATOM 362 CZ2 TRP A 133 5.992 4.072 7.928 1.00 0.00 C ATOM 363 CZ3 TRP A 133 3.996 4.288 6.629 1.00 0.00 C ATOM 364 CH2 TRP A 133 5.373 4.427 6.777 1.00 0.00 C ATOM 0 H TRP A 133 2.303 3.198 13.137 1.00 0.00 H new ATOM 0 HA TRP A 133 0.827 4.376 10.915 1.00 0.00 H new ATOM 0 HB2 TRP A 133 1.883 1.543 10.752 1.00 0.00 H new ATOM 0 HB3 TRP A 133 1.340 2.578 9.446 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.399 2.288 11.831 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.489 3.111 10.563 1.00 0.00 H new ATOM 0 HE3 TRP A 133 2.142 3.691 7.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.060 4.178 8.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 3.535 4.579 5.697 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.957 4.825 5.960 1.00 0.00 H new ATOM 375 N GLU A 134 -1.110 2.809 11.395 1.00 0.00 N ATOM 376 CA GLU A 134 -2.238 1.985 11.770 1.00 0.00 C ATOM 377 C GLU A 134 -1.963 0.670 11.076 1.00 0.00 C ATOM 378 O GLU A 134 -2.169 0.534 9.869 1.00 0.00 O ATOM 379 CB GLU A 134 -3.564 2.592 11.299 1.00 0.00 C ATOM 380 CG GLU A 134 -3.738 4.054 11.677 1.00 0.00 C ATOM 381 CD GLU A 134 -3.502 4.309 13.153 1.00 0.00 C ATOM 382 OE1 GLU A 134 -4.436 4.090 13.949 1.00 0.00 O ATOM 383 OE2 GLU A 134 -2.381 4.729 13.509 1.00 0.00 O ATOM 0 H GLU A 134 -1.314 3.512 10.685 1.00 0.00 H new ATOM 0 HA GLU A 134 -2.340 1.884 12.851 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -3.632 2.496 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -4.387 2.016 11.722 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -3.046 4.661 11.093 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -4.746 4.376 11.413 1.00 0.00 H new ATOM 390 N GLU A 135 -1.437 -0.272 11.826 1.00 0.00 N ATOM 391 CA GLU A 135 -1.014 -1.532 11.262 1.00 0.00 C ATOM 392 C GLU A 135 -2.146 -2.401 10.726 1.00 0.00 C ATOM 393 O GLU A 135 -2.986 -2.917 11.457 1.00 0.00 O ATOM 394 CB GLU A 135 -0.126 -2.267 12.261 1.00 0.00 C ATOM 395 CG GLU A 135 -0.667 -2.345 13.674 1.00 0.00 C ATOM 396 CD GLU A 135 0.450 -2.559 14.675 1.00 0.00 C ATOM 397 OE1 GLU A 135 1.434 -1.785 14.634 1.00 0.00 O ATOM 398 OE2 GLU A 135 0.374 -3.511 15.469 1.00 0.00 O ATOM 0 H GLU A 135 -1.292 -0.188 12.832 1.00 0.00 H new ATOM 0 HA GLU A 135 -0.431 -1.302 10.370 1.00 0.00 H new ATOM 0 HB2 GLU A 135 0.040 -3.281 11.897 1.00 0.00 H new ATOM 0 HB3 GLU A 135 0.846 -1.775 12.289 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -1.202 -1.426 13.913 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -1.386 -3.161 13.747 1.00 0.00 H new ATOM 405 N VAL A 136 -2.124 -2.516 9.403 1.00 0.00 N ATOM 406 CA VAL A 136 -3.061 -3.303 8.623 1.00 0.00 C ATOM 407 C VAL A 136 -2.614 -4.756 8.519 1.00 0.00 C ATOM 408 O VAL A 136 -1.425 -5.065 8.373 1.00 0.00 O ATOM 409 CB VAL A 136 -3.192 -2.726 7.211 1.00 0.00 C ATOM 410 CG1 VAL A 136 -4.123 -3.533 6.362 1.00 0.00 C ATOM 411 CG2 VAL A 136 -3.620 -1.292 7.275 1.00 0.00 C ATOM 0 H VAL A 136 -1.426 -2.045 8.827 1.00 0.00 H new ATOM 0 HA VAL A 136 -4.023 -3.264 9.134 1.00 0.00 H new ATOM 0 HB VAL A 136 -2.212 -2.775 6.737 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.187 -3.089 5.369 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -3.748 -4.553 6.280 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -5.113 -3.546 6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -3.709 -0.894 6.264 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.584 -1.222 7.779 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -2.879 -0.715 7.828 1.00 0.00 H new ATOM 421 N GLU A 137 -3.580 -5.631 8.596 1.00 0.00 N ATOM 422 CA GLU A 137 -3.356 -7.070 8.547 1.00 0.00 C ATOM 423 C GLU A 137 -4.010 -7.694 7.320 1.00 0.00 C ATOM 424 O GLU A 137 -4.926 -7.113 6.733 1.00 0.00 O ATOM 425 CB GLU A 137 -3.894 -7.723 9.814 1.00 0.00 C ATOM 426 CG GLU A 137 -4.534 -6.726 10.757 1.00 0.00 C ATOM 427 CD GLU A 137 -5.953 -6.362 10.350 1.00 0.00 C ATOM 428 OE1 GLU A 137 -6.113 -5.518 9.435 1.00 0.00 O ATOM 429 OE2 GLU A 137 -6.901 -6.924 10.933 1.00 0.00 O ATOM 0 H GLU A 137 -4.561 -5.372 8.696 1.00 0.00 H new ATOM 0 HA GLU A 137 -2.282 -7.242 8.478 1.00 0.00 H new ATOM 0 HB2 GLU A 137 -4.627 -8.483 9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 137 -3.080 -8.234 10.329 1.00 0.00 H new ATOM 0 HG2 GLU A 137 -4.544 -7.140 11.765 1.00 0.00 H new ATOM 0 HG3 GLU A 137 -3.926 -5.822 10.790 1.00 0.00 H new ATOM 436 N GLU A 138 -3.472 -8.835 6.894 1.00 0.00 N ATOM 437 CA GLU A 138 -4.001 -9.572 5.752 1.00 0.00 C ATOM 438 C GLU A 138 -5.507 -9.769 5.911 1.00 0.00 C ATOM 439 O GLU A 138 -5.965 -10.496 6.792 1.00 0.00 O ATOM 440 CB GLU A 138 -3.296 -10.924 5.628 1.00 0.00 C ATOM 441 CG GLU A 138 -1.790 -10.837 5.811 1.00 0.00 C ATOM 442 CD GLU A 138 -1.048 -11.912 5.052 1.00 0.00 C ATOM 443 OE1 GLU A 138 -1.380 -12.143 3.873 1.00 0.00 O ATOM 444 OE2 GLU A 138 -0.124 -12.528 5.618 1.00 0.00 O ATOM 0 H GLU A 138 -2.660 -9.272 7.330 1.00 0.00 H new ATOM 0 HA GLU A 138 -3.818 -9.000 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -3.706 -11.609 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -3.512 -11.350 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -1.444 -9.858 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -1.552 -10.916 6.872 1.00 0.00 H new ATOM 451 N LEU A 139 -6.263 -9.123 5.044 1.00 0.00 N ATOM 452 CA LEU A 139 -7.710 -9.162 5.099 1.00 0.00 C ATOM 453 C LEU A 139 -8.292 -10.170 4.117 1.00 0.00 C ATOM 454 O LEU A 139 -7.996 -10.149 2.923 1.00 0.00 O ATOM 455 CB LEU A 139 -8.247 -7.759 4.828 1.00 0.00 C ATOM 456 CG LEU A 139 -9.613 -7.660 4.142 1.00 0.00 C ATOM 457 CD1 LEU A 139 -10.729 -8.124 5.070 1.00 0.00 C ATOM 458 CD2 LEU A 139 -9.876 -6.235 3.682 1.00 0.00 C ATOM 0 H LEU A 139 -5.890 -8.557 4.282 1.00 0.00 H new ATOM 0 HA LEU A 139 -8.016 -9.490 6.092 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -8.306 -7.229 5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -7.519 -7.230 4.212 1.00 0.00 H new ATOM 0 HG LEU A 139 -9.597 -8.316 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -11.687 -8.043 4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -10.557 -9.162 5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -10.742 -7.500 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -10.851 -6.183 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -9.863 -5.567 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -9.103 -5.932 2.976 1.00 0.00 H new ATOM 815 N VAL B 8 -0.145 -4.887 -13.668 1.00 0.00 N ATOM 816 CA VAL B 8 -0.194 -3.735 -12.781 1.00 0.00 C ATOM 817 C VAL B 8 -1.638 -3.328 -12.521 1.00 0.00 C ATOM 818 O VAL B 8 -2.281 -2.690 -13.354 1.00 0.00 O ATOM 819 CB VAL B 8 0.586 -2.532 -13.348 1.00 0.00 C ATOM 820 CG1 VAL B 8 0.850 -1.509 -12.255 1.00 0.00 C ATOM 821 CG2 VAL B 8 1.894 -2.985 -13.982 1.00 0.00 C ATOM 0 HA VAL B 8 0.280 -4.032 -11.845 1.00 0.00 H new ATOM 0 HB VAL B 8 -0.022 -2.064 -14.122 1.00 0.00 H new ATOM 0 HG11 VAL B 8 1.401 -0.666 -12.671 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -0.098 -1.157 -11.849 1.00 0.00 H new ATOM 0 HG13 VAL B 8 1.437 -1.969 -11.460 1.00 0.00 H new ATOM 0 HG21 VAL B 8 2.427 -2.119 -14.375 1.00 0.00 H new ATOM 0 HG22 VAL B 8 2.510 -3.480 -13.231 1.00 0.00 H new ATOM 0 HG23 VAL B 8 1.683 -3.681 -14.794 1.00 0.00 H new ATOM 831 N LEU B 9 -2.130 -3.717 -11.360 1.00 0.00 N ATOM 832 CA LEU B 9 -3.491 -3.428 -10.950 1.00 0.00 C ATOM 833 C LEU B 9 -3.629 -1.977 -10.520 1.00 0.00 C ATOM 834 O LEU B 9 -4.601 -1.303 -10.858 1.00 0.00 O ATOM 835 CB LEU B 9 -3.877 -4.341 -9.785 1.00 0.00 C ATOM 836 CG LEU B 9 -3.731 -5.843 -10.049 1.00 0.00 C ATOM 837 CD1 LEU B 9 -4.020 -6.636 -8.785 1.00 0.00 C ATOM 838 CD2 LEU B 9 -4.649 -6.287 -11.176 1.00 0.00 C ATOM 0 H LEU B 9 -1.594 -4.245 -10.671 1.00 0.00 H new ATOM 0 HA LEU B 9 -4.153 -3.605 -11.798 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -3.264 -4.080 -8.923 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -4.913 -4.136 -9.513 1.00 0.00 H new ATOM 0 HG LEU B 9 -2.702 -6.036 -10.353 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -3.912 -7.701 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -3.318 -6.344 -8.004 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -5.038 -6.432 -8.453 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -4.527 -7.357 -11.344 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -5.684 -6.078 -10.906 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -4.395 -5.745 -12.087 1.00 0.00 H new ATOM 850 N LEU B 10 -2.652 -1.506 -9.767 1.00 0.00 N ATOM 851 CA LEU B 10 -2.672 -0.138 -9.277 1.00 0.00 C ATOM 852 C LEU B 10 -1.344 0.575 -9.493 1.00 0.00 C ATOM 853 O LEU B 10 -0.283 0.053 -9.154 1.00 0.00 O ATOM 854 CB LEU B 10 -3.038 -0.110 -7.799 1.00 0.00 C ATOM 855 CG LEU B 10 -3.573 1.235 -7.310 1.00 0.00 C ATOM 856 CD1 LEU B 10 -4.889 1.569 -7.991 1.00 0.00 C ATOM 857 CD2 LEU B 10 -3.741 1.234 -5.800 1.00 0.00 C ATOM 0 H LEU B 10 -1.836 -2.048 -9.481 1.00 0.00 H new ATOM 0 HA LEU B 10 -3.429 0.395 -9.853 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -3.788 -0.878 -7.608 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -2.157 -0.372 -7.213 1.00 0.00 H new ATOM 0 HG LEU B 10 -2.845 2.003 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -5.252 2.531 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -4.738 1.621 -9.069 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -5.622 0.795 -7.765 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -4.123 2.202 -5.476 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -4.444 0.452 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.777 1.047 -5.327 1.00 0.00 H new ATOM 869 N ILE B 11 -1.416 1.765 -10.072 1.00 0.00 N ATOM 870 CA ILE B 11 -0.232 2.574 -10.306 1.00 0.00 C ATOM 871 C ILE B 11 -0.263 3.786 -9.393 1.00 0.00 C ATOM 872 O ILE B 11 -1.055 4.711 -9.587 1.00 0.00 O ATOM 873 CB ILE B 11 -0.112 3.037 -11.775 1.00 0.00 C ATOM 874 CG1 ILE B 11 -0.073 1.826 -12.713 1.00 0.00 C ATOM 875 CG2 ILE B 11 1.134 3.899 -11.957 1.00 0.00 C ATOM 876 CD1 ILE B 11 0.145 2.180 -14.169 1.00 0.00 C ATOM 0 H ILE B 11 -2.287 2.192 -10.389 1.00 0.00 H new ATOM 0 HA ILE B 11 0.637 1.953 -10.090 1.00 0.00 H new ATOM 0 HB ILE B 11 -0.986 3.638 -12.026 1.00 0.00 H new ATOM 0 HG12 ILE B 11 0.723 1.155 -12.390 1.00 0.00 H new ATOM 0 HG13 ILE B 11 -1.010 1.277 -12.620 1.00 0.00 H new ATOM 0 HG21 ILE B 11 1.207 4.219 -12.997 1.00 0.00 H new ATOM 0 HG22 ILE B 11 1.068 4.775 -11.312 1.00 0.00 H new ATOM 0 HG23 ILE B 11 2.019 3.320 -11.693 1.00 0.00 H new ATOM 0 HD11 ILE B 11 0.160 1.269 -14.767 1.00 0.00 H new ATOM 0 HD12 ILE B 11 -0.664 2.825 -14.512 1.00 0.00 H new ATOM 0 HD13 ILE B 11 1.096 2.701 -14.278 1.00 0.00 H new ATOM 888 N VAL B 12 0.597 3.762 -8.398 1.00 0.00 N ATOM 889 CA VAL B 12 0.692 4.833 -7.428 1.00 0.00 C ATOM 890 C VAL B 12 1.800 5.792 -7.828 1.00 0.00 C ATOM 891 O VAL B 12 2.843 5.370 -8.321 1.00 0.00 O ATOM 892 CB VAL B 12 0.965 4.266 -6.023 1.00 0.00 C ATOM 893 CG1 VAL B 12 0.728 5.316 -4.955 1.00 0.00 C ATOM 894 CG2 VAL B 12 0.098 3.040 -5.777 1.00 0.00 C ATOM 0 H VAL B 12 1.252 2.997 -8.238 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.256 5.370 -7.405 1.00 0.00 H new ATOM 0 HB VAL B 12 2.013 3.970 -5.969 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.928 4.888 -3.973 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.393 6.163 -5.124 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.308 5.653 -4.999 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.299 2.646 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.954 3.317 -5.853 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.327 2.277 -6.521 1.00 0.00 H new ATOM 904 N LYS B 13 1.573 7.073 -7.618 1.00 0.00 N ATOM 905 CA LYS B 13 2.551 8.088 -7.993 1.00 0.00 C ATOM 906 C LYS B 13 3.306 8.612 -6.783 1.00 0.00 C ATOM 907 O LYS B 13 2.986 8.258 -5.652 1.00 0.00 O ATOM 908 CB LYS B 13 1.876 9.252 -8.723 1.00 0.00 C ATOM 909 CG LYS B 13 1.481 8.938 -10.158 1.00 0.00 C ATOM 910 CD LYS B 13 0.322 7.954 -10.229 1.00 0.00 C ATOM 911 CE LYS B 13 -1.019 8.635 -10.008 1.00 0.00 C ATOM 912 NZ LYS B 13 -1.257 9.002 -8.581 1.00 0.00 N ATOM 0 H LYS B 13 0.723 7.441 -7.191 1.00 0.00 H new ATOM 0 HA LYS B 13 3.266 7.612 -8.664 1.00 0.00 H new ATOM 0 HB2 LYS B 13 0.985 9.547 -8.168 1.00 0.00 H new ATOM 0 HB3 LYS B 13 2.551 10.108 -8.722 1.00 0.00 H new ATOM 0 HG2 LYS B 13 1.205 9.861 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS B 13 2.339 8.526 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS B 13 0.323 7.463 -11.202 1.00 0.00 H new ATOM 0 HD3 LYS B 13 0.461 7.176 -9.479 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -1.070 9.534 -10.622 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -1.817 7.973 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -2.279 9.008 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -0.793 8.307 -7.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -0.864 9.947 -8.395 1.00 0.00 H new ATOM 926 N LYS B 14 4.258 9.511 -7.068 1.00 0.00 N ATOM 927 CA LYS B 14 5.141 10.150 -6.081 1.00 0.00 C ATOM 928 C LYS B 14 5.188 9.456 -4.722 1.00 0.00 C ATOM 929 O LYS B 14 4.740 9.996 -3.711 1.00 0.00 O ATOM 930 CB LYS B 14 4.744 11.612 -5.894 1.00 0.00 C ATOM 931 CG LYS B 14 5.410 12.545 -6.884 1.00 0.00 C ATOM 932 CD LYS B 14 4.721 13.895 -6.928 1.00 0.00 C ATOM 933 CE LYS B 14 5.334 14.794 -7.986 1.00 0.00 C ATOM 934 NZ LYS B 14 5.447 14.102 -9.300 1.00 0.00 N ATOM 0 H LYS B 14 4.441 9.824 -8.021 1.00 0.00 H new ATOM 0 HA LYS B 14 6.146 10.067 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.662 11.703 -5.991 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.001 11.924 -4.882 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.457 12.679 -6.611 1.00 0.00 H new ATOM 0 HG3 LYS B 14 5.394 12.095 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS B 14 3.660 13.757 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS B 14 4.795 14.375 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.725 15.691 -8.098 1.00 0.00 H new ATOM 0 HE3 LYS B 14 6.322 15.118 -7.660 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 5.608 14.805 -10.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 6.244 13.435 -9.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 4.567 13.583 -9.496 1.00 0.00 H new ATOM 948 N VAL B 15 5.736 8.257 -4.718 1.00 0.00 N ATOM 949 CA VAL B 15 5.911 7.487 -3.507 1.00 0.00 C ATOM 950 C VAL B 15 7.368 7.595 -3.107 1.00 0.00 C ATOM 951 O VAL B 15 8.251 7.226 -3.876 1.00 0.00 O ATOM 952 CB VAL B 15 5.537 6.002 -3.692 1.00 0.00 C ATOM 953 CG1 VAL B 15 5.799 5.222 -2.415 1.00 0.00 C ATOM 954 CG2 VAL B 15 4.085 5.859 -4.109 1.00 0.00 C ATOM 0 H VAL B 15 6.073 7.789 -5.559 1.00 0.00 H new ATOM 0 HA VAL B 15 5.248 7.885 -2.739 1.00 0.00 H new ATOM 0 HB VAL B 15 6.163 5.592 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL B 15 5.529 4.177 -2.565 1.00 0.00 H new ATOM 0 HG12 VAL B 15 6.856 5.290 -2.157 1.00 0.00 H new ATOM 0 HG13 VAL B 15 5.200 5.638 -1.605 1.00 0.00 H new ATOM 0 HG21 VAL B 15 3.844 4.803 -4.233 1.00 0.00 H new ATOM 0 HG22 VAL B 15 3.442 6.290 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.924 6.381 -5.052 1.00 0.00 H new ATOM 964 N ARG B 16 7.622 8.121 -1.929 1.00 0.00 N ATOM 965 CA ARG B 16 8.975 8.306 -1.468 1.00 0.00 C ATOM 966 C ARG B 16 9.357 7.308 -0.390 1.00 0.00 C ATOM 967 O ARG B 16 8.711 7.221 0.645 1.00 0.00 O ATOM 968 CB ARG B 16 9.164 9.733 -0.954 1.00 0.00 C ATOM 969 CG ARG B 16 9.165 10.764 -2.067 1.00 0.00 C ATOM 970 CD ARG B 16 9.529 12.146 -1.560 1.00 0.00 C ATOM 971 NE ARG B 16 10.421 12.842 -2.484 1.00 0.00 N ATOM 972 CZ ARG B 16 11.249 13.820 -2.127 1.00 0.00 C ATOM 973 NH1 ARG B 16 11.258 14.261 -0.876 1.00 0.00 N ATOM 974 NH2 ARG B 16 12.058 14.358 -3.023 1.00 0.00 N ATOM 0 H ARG B 16 6.904 8.428 -1.273 1.00 0.00 H new ATOM 0 HA ARG B 16 9.634 8.133 -2.318 1.00 0.00 H new ATOM 0 HB2 ARG B 16 8.368 9.968 -0.248 1.00 0.00 H new ATOM 0 HB3 ARG B 16 10.104 9.795 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.873 10.463 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.180 10.796 -2.532 1.00 0.00 H new ATOM 0 HD2 ARG B 16 8.621 12.733 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.009 12.061 -0.585 1.00 0.00 H new ATOM 0 HE ARG B 16 10.408 12.560 -3.464 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.629 13.850 -0.186 1.00 0.00 H new ATOM 0 HH12 ARG B 16 11.894 15.011 -0.604 1.00 0.00 H new ATOM 0 HH21 ARG B 16 12.047 14.023 -3.986 1.00 0.00 H new ATOM 0 HH22 ARG B 16 12.694 15.108 -2.751 1.00 0.00 H new ATOM 988 N GLN B 17 10.397 6.544 -0.646 1.00 0.00 N ATOM 989 CA GLN B 17 10.882 5.593 0.332 1.00 0.00 C ATOM 990 C GLN B 17 12.154 6.179 0.931 1.00 0.00 C ATOM 991 O GLN B 17 13.180 6.293 0.262 1.00 0.00 O ATOM 992 CB GLN B 17 11.087 4.194 -0.287 1.00 0.00 C ATOM 993 CG GLN B 17 12.307 4.040 -1.183 1.00 0.00 C ATOM 994 CD GLN B 17 13.407 3.232 -0.520 1.00 0.00 C ATOM 995 OE1 GLN B 17 13.139 2.332 0.275 1.00 0.00 O ATOM 996 NE2 GLN B 17 14.652 3.553 -0.827 1.00 0.00 N ATOM 0 H GLN B 17 10.922 6.562 -1.520 1.00 0.00 H new ATOM 0 HA GLN B 17 10.149 5.436 1.123 1.00 0.00 H new ATOM 0 HB2 GLN B 17 11.159 3.466 0.521 1.00 0.00 H new ATOM 0 HB3 GLN B 17 10.199 3.940 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN B 17 12.013 3.555 -2.114 1.00 0.00 H new ATOM 0 HG3 GLN B 17 12.690 5.026 -1.445 1.00 0.00 H new ATOM 0 HE21 GLN B 17 14.836 4.305 -1.491 1.00 0.00 H new ATOM 0 HE22 GLN B 17 15.429 3.048 -0.400 1.00 0.00 H new ATOM 1005 N LYS B 18 12.046 6.631 2.176 1.00 0.00 N ATOM 1006 CA LYS B 18 13.159 7.276 2.860 1.00 0.00 C ATOM 1007 C LYS B 18 13.568 8.510 2.060 1.00 0.00 C ATOM 1008 O LYS B 18 14.731 8.697 1.706 1.00 0.00 O ATOM 1009 CB LYS B 18 14.341 6.318 3.062 1.00 0.00 C ATOM 1010 CG LYS B 18 14.156 5.357 4.233 1.00 0.00 C ATOM 1011 CD LYS B 18 14.713 5.921 5.540 1.00 0.00 C ATOM 1012 CE LYS B 18 13.804 6.984 6.147 1.00 0.00 C ATOM 1013 NZ LYS B 18 14.171 7.299 7.557 1.00 0.00 N ATOM 0 H LYS B 18 11.195 6.562 2.733 1.00 0.00 H new ATOM 0 HA LYS B 18 12.841 7.575 3.859 1.00 0.00 H new ATOM 0 HB2 LYS B 18 14.490 5.741 2.149 1.00 0.00 H new ATOM 0 HB3 LYS B 18 15.248 6.902 3.222 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.095 5.139 4.357 1.00 0.00 H new ATOM 0 HG3 LYS B 18 14.651 4.413 4.007 1.00 0.00 H new ATOM 0 HD2 LYS B 18 14.847 5.109 6.255 1.00 0.00 H new ATOM 0 HD3 LYS B 18 15.698 6.350 5.357 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.859 7.892 5.547 1.00 0.00 H new ATOM 0 HE3 LYS B 18 12.770 6.640 6.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 13.527 8.026 7.929 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 14.094 6.439 8.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 15.149 7.652 7.591 1.00 0.00 H new ATOM 1027 N LYS B 19 12.555 9.319 1.752 1.00 0.00 N ATOM 1028 CA LYS B 19 12.702 10.563 1.001 1.00 0.00 C ATOM 1029 C LYS B 19 13.064 10.351 -0.469 1.00 0.00 C ATOM 1030 O LYS B 19 13.328 11.316 -1.176 1.00 0.00 O ATOM 1031 CB LYS B 19 13.724 11.481 1.667 1.00 0.00 C ATOM 1032 CG LYS B 19 13.227 12.105 2.957 1.00 0.00 C ATOM 1033 CD LYS B 19 11.833 12.683 2.789 1.00 0.00 C ATOM 1034 CE LYS B 19 11.473 13.637 3.914 1.00 0.00 C ATOM 1035 NZ LYS B 19 12.607 14.502 4.332 1.00 0.00 N ATOM 0 H LYS B 19 11.591 9.123 2.023 1.00 0.00 H new ATOM 0 HA LYS B 19 11.721 11.037 1.015 1.00 0.00 H new ATOM 0 HB2 LYS B 19 14.631 10.913 1.874 1.00 0.00 H new ATOM 0 HB3 LYS B 19 13.996 12.274 0.971 1.00 0.00 H new ATOM 0 HG2 LYS B 19 13.219 11.354 3.747 1.00 0.00 H new ATOM 0 HG3 LYS B 19 13.914 12.891 3.271 1.00 0.00 H new ATOM 0 HD2 LYS B 19 11.770 13.207 1.835 1.00 0.00 H new ATOM 0 HD3 LYS B 19 11.106 11.872 2.755 1.00 0.00 H new ATOM 0 HE2 LYS B 19 10.642 14.267 3.596 1.00 0.00 H new ATOM 0 HE3 LYS B 19 11.127 13.062 4.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 12.251 15.280 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 13.291 13.939 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 13.074 14.893 3.489 1.00 0.00 H new ATOM 1049 N GLN B 20 13.063 9.115 -0.942 1.00 0.00 N ATOM 1050 CA GLN B 20 13.384 8.858 -2.343 1.00 0.00 C ATOM 1051 C GLN B 20 12.108 8.747 -3.159 1.00 0.00 C ATOM 1052 O GLN B 20 11.310 7.838 -2.954 1.00 0.00 O ATOM 1053 CB GLN B 20 14.234 7.599 -2.483 1.00 0.00 C ATOM 1054 CG GLN B 20 15.721 7.889 -2.425 1.00 0.00 C ATOM 1055 CD GLN B 20 16.537 6.703 -1.956 1.00 0.00 C ATOM 1056 OE1 GLN B 20 16.186 5.548 -2.206 1.00 0.00 O ATOM 1057 NE2 GLN B 20 17.630 6.983 -1.269 1.00 0.00 N ATOM 0 H GLN B 20 12.848 8.285 -0.390 1.00 0.00 H new ATOM 0 HA GLN B 20 13.967 9.696 -2.726 1.00 0.00 H new ATOM 0 HB2 GLN B 20 13.973 6.899 -1.689 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.000 7.110 -3.429 1.00 0.00 H new ATOM 0 HG2 GLN B 20 16.065 8.192 -3.414 1.00 0.00 H new ATOM 0 HG3 GLN B 20 15.896 8.731 -1.755 1.00 0.00 H new ATOM 0 HE21 GLN B 20 17.882 7.954 -1.085 1.00 0.00 H new ATOM 0 HE22 GLN B 20 18.222 6.228 -0.922 1.00 0.00 H new ATOM 1066 N ASP B 21 11.941 9.665 -4.100 1.00 0.00 N ATOM 1067 CA ASP B 21 10.742 9.727 -4.934 1.00 0.00 C ATOM 1068 C ASP B 21 10.685 8.645 -5.998 1.00 0.00 C ATOM 1069 O ASP B 21 11.700 8.220 -6.549 1.00 0.00 O ATOM 1070 CB ASP B 21 10.604 11.108 -5.585 1.00 0.00 C ATOM 1071 CG ASP B 21 11.936 11.796 -5.809 1.00 0.00 C ATOM 1072 OD1 ASP B 21 12.787 11.242 -6.526 1.00 0.00 O ATOM 1073 OD2 ASP B 21 12.141 12.885 -5.225 1.00 0.00 O ATOM 0 H ASP B 21 12.629 10.388 -4.309 1.00 0.00 H new ATOM 0 HA ASP B 21 9.903 9.550 -4.262 1.00 0.00 H new ATOM 0 HB2 ASP B 21 10.091 11.003 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP B 21 9.977 11.739 -4.955 1.00 0.00 H new ATOM 1078 N GLY B 22 9.465 8.197 -6.264 1.00 0.00 N ATOM 1079 CA GLY B 22 9.230 7.179 -7.257 1.00 0.00 C ATOM 1080 C GLY B 22 7.759 6.880 -7.416 1.00 0.00 C ATOM 1081 O GLY B 22 6.919 7.625 -6.932 1.00 0.00 O ATOM 0 H GLY B 22 8.622 8.531 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.641 7.503 -8.213 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.758 6.268 -6.975 1.00 0.00 H new ATOM 1085 N ALA B 23 7.449 5.802 -8.103 1.00 0.00 N ATOM 1086 CA ALA B 23 6.071 5.391 -8.299 1.00 0.00 C ATOM 1087 C ALA B 23 5.914 3.962 -7.813 1.00 0.00 C ATOM 1088 O ALA B 23 6.830 3.148 -7.948 1.00 0.00 O ATOM 1089 CB ALA B 23 5.645 5.537 -9.756 1.00 0.00 C ATOM 0 H ALA B 23 8.137 5.188 -8.539 1.00 0.00 H new ATOM 0 HA ALA B 23 5.415 6.042 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA B 23 4.608 5.220 -9.865 1.00 0.00 H new ATOM 0 HB2 ALA B 23 5.740 6.579 -10.060 1.00 0.00 H new ATOM 0 HB3 ALA B 23 6.282 4.916 -10.385 1.00 0.00 H new ATOM 1095 N LEU B 24 4.766 3.659 -7.241 1.00 0.00 N ATOM 1096 CA LEU B 24 4.520 2.337 -6.699 1.00 0.00 C ATOM 1097 C LEU B 24 3.621 1.549 -7.653 1.00 0.00 C ATOM 1098 O LEU B 24 2.475 1.923 -7.893 1.00 0.00 O ATOM 1099 CB LEU B 24 3.870 2.475 -5.320 1.00 0.00 C ATOM 1100 CG LEU B 24 4.206 1.382 -4.303 1.00 0.00 C ATOM 1101 CD1 LEU B 24 3.149 1.327 -3.213 1.00 0.00 C ATOM 1102 CD2 LEU B 24 4.366 0.030 -4.969 1.00 0.00 C ATOM 0 H LEU B 24 3.988 4.311 -7.139 1.00 0.00 H new ATOM 0 HA LEU B 24 5.459 1.794 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU B 24 4.162 3.437 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU B 24 2.788 2.500 -5.452 1.00 0.00 H new ATOM 0 HG LEU B 24 5.163 1.635 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU B 24 3.404 0.544 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU B 24 3.106 2.287 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU B 24 2.178 1.110 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU B 24 4.604 -0.721 -4.216 1.00 0.00 H new ATOM 0 HD22 LEU B 24 3.437 -0.241 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU B 24 5.172 0.078 -5.701 1.00 0.00 H new ATOM 1114 N TYR B 25 4.141 0.459 -8.191 1.00 0.00 N ATOM 1115 CA TYR B 25 3.391 -0.365 -9.125 1.00 0.00 C ATOM 1116 C TYR B 25 2.899 -1.641 -8.452 1.00 0.00 C ATOM 1117 O TYR B 25 3.686 -2.522 -8.099 1.00 0.00 O ATOM 1118 CB TYR B 25 4.255 -0.707 -10.343 1.00 0.00 C ATOM 1119 CG TYR B 25 4.830 0.507 -11.040 1.00 0.00 C ATOM 1120 CD1 TYR B 25 6.049 1.046 -10.646 1.00 0.00 C ATOM 1121 CD2 TYR B 25 4.154 1.115 -12.090 1.00 0.00 C ATOM 1122 CE1 TYR B 25 6.577 2.154 -11.278 1.00 0.00 C ATOM 1123 CE2 TYR B 25 4.676 2.224 -12.728 1.00 0.00 C ATOM 1124 CZ TYR B 25 5.887 2.739 -12.317 1.00 0.00 C ATOM 1125 OH TYR B 25 6.411 3.845 -12.949 1.00 0.00 O ATOM 0 H TYR B 25 5.084 0.123 -7.996 1.00 0.00 H new ATOM 0 HA TYR B 25 2.521 0.202 -9.457 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.073 -1.355 -10.027 1.00 0.00 H new ATOM 0 HB3 TYR B 25 3.656 -1.274 -11.055 1.00 0.00 H new ATOM 0 HD1 TYR B 25 6.592 0.590 -9.832 1.00 0.00 H new ATOM 0 HD2 TYR B 25 3.205 0.714 -12.413 1.00 0.00 H new ATOM 0 HE1 TYR B 25 7.526 2.560 -10.960 1.00 0.00 H new ATOM 0 HE2 TYR B 25 4.139 2.685 -13.544 1.00 0.00 H new ATOM 0 HH TYR B 25 5.802 4.135 -13.660 1.00 0.00 H new ATOM 1135 N LEU B 26 1.594 -1.721 -8.256 1.00 0.00 N ATOM 1136 CA LEU B 26 0.975 -2.881 -7.638 1.00 0.00 C ATOM 1137 C LEU B 26 0.578 -3.903 -8.685 1.00 0.00 C ATOM 1138 O LEU B 26 -0.446 -3.747 -9.344 1.00 0.00 O ATOM 1139 CB LEU B 26 -0.274 -2.462 -6.861 1.00 0.00 C ATOM 1140 CG LEU B 26 -0.016 -1.852 -5.493 1.00 0.00 C ATOM 1141 CD1 LEU B 26 -1.284 -1.241 -4.937 1.00 0.00 C ATOM 1142 CD2 LEU B 26 0.501 -2.906 -4.545 1.00 0.00 C ATOM 0 H LEU B 26 0.936 -0.987 -8.519 1.00 0.00 H new ATOM 0 HA LEU B 26 1.703 -3.325 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.831 -1.743 -7.462 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -0.914 -3.336 -6.736 1.00 0.00 H new ATOM 0 HG LEU B 26 0.733 -1.068 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -1.080 -0.809 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -1.638 -0.461 -5.611 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.048 -2.012 -4.842 1.00 0.00 H new ATOM 0 HD21 LEU B 26 0.683 -2.459 -3.568 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.237 -3.702 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU B 26 1.432 -3.320 -4.933 1.00 0.00 H new ATOM 1154 N MET B 27 1.383 -4.937 -8.853 1.00 0.00 N ATOM 1155 CA MET B 27 1.067 -5.979 -9.814 1.00 0.00 C ATOM 1156 C MET B 27 0.213 -7.047 -9.142 1.00 0.00 C ATOM 1157 O MET B 27 -0.253 -6.857 -8.018 1.00 0.00 O ATOM 1158 CB MET B 27 2.334 -6.595 -10.412 1.00 0.00 C ATOM 1159 CG MET B 27 2.929 -5.778 -11.548 1.00 0.00 C ATOM 1160 SD MET B 27 3.929 -4.397 -10.972 1.00 0.00 S ATOM 1161 CE MET B 27 5.371 -5.273 -10.373 1.00 0.00 C ATOM 0 H MET B 27 2.254 -5.077 -8.341 1.00 0.00 H new ATOM 0 HA MET B 27 0.507 -5.533 -10.636 1.00 0.00 H new ATOM 0 HB2 MET B 27 3.080 -6.706 -9.625 1.00 0.00 H new ATOM 0 HB3 MET B 27 2.104 -7.596 -10.777 1.00 0.00 H new ATOM 0 HG2 MET B 27 3.542 -6.427 -12.173 1.00 0.00 H new ATOM 0 HG3 MET B 27 2.123 -5.399 -12.176 1.00 0.00 H new ATOM 0 HE1 MET B 27 5.464 -5.127 -9.297 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.266 -6.337 -10.587 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.262 -4.889 -10.870 1.00 0.00 H new ATOM 1171 N ALA B 28 0.010 -8.163 -9.818 1.00 0.00 N ATOM 1172 CA ALA B 28 -0.802 -9.235 -9.268 1.00 0.00 C ATOM 1173 C ALA B 28 -0.006 -10.090 -8.287 1.00 0.00 C ATOM 1174 O ALA B 28 -0.419 -10.292 -7.151 1.00 0.00 O ATOM 1175 CB ALA B 28 -1.367 -10.097 -10.387 1.00 0.00 C ATOM 0 H ALA B 28 0.394 -8.351 -10.744 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.628 -8.782 -8.720 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.973 -10.896 -9.960 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -1.985 -9.483 -11.042 1.00 0.00 H new ATOM 0 HB3 ALA B 28 -0.548 -10.530 -10.961 1.00 0.00 H new ATOM 1181 N GLU B 29 1.151 -10.567 -8.723 1.00 0.00 N ATOM 1182 CA GLU B 29 1.985 -11.425 -7.888 1.00 0.00 C ATOM 1183 C GLU B 29 2.870 -10.646 -6.919 1.00 0.00 C ATOM 1184 O GLU B 29 3.175 -11.130 -5.827 1.00 0.00 O ATOM 1185 CB GLU B 29 2.857 -12.318 -8.766 1.00 0.00 C ATOM 1186 CG GLU B 29 2.212 -13.648 -9.110 1.00 0.00 C ATOM 1187 CD GLU B 29 2.389 -14.670 -8.008 1.00 0.00 C ATOM 1188 OE1 GLU B 29 1.658 -14.602 -7.002 1.00 0.00 O ATOM 1189 OE2 GLU B 29 3.275 -15.544 -8.137 1.00 0.00 O ATOM 0 H GLU B 29 1.535 -10.376 -9.649 1.00 0.00 H new ATOM 0 HA GLU B 29 1.305 -12.027 -7.286 1.00 0.00 H new ATOM 0 HB2 GLU B 29 3.092 -11.788 -9.689 1.00 0.00 H new ATOM 0 HB3 GLU B 29 3.802 -12.503 -8.256 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.149 -13.497 -9.296 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.646 -14.032 -10.033 1.00 0.00 H new ATOM 1196 N ARG B 30 3.291 -9.446 -7.296 1.00 0.00 N ATOM 1197 CA ARG B 30 4.168 -8.675 -6.429 1.00 0.00 C ATOM 1198 C ARG B 30 3.995 -7.173 -6.589 1.00 0.00 C ATOM 1199 O ARG B 30 3.522 -6.684 -7.611 1.00 0.00 O ATOM 1200 CB ARG B 30 5.626 -9.056 -6.695 1.00 0.00 C ATOM 1201 CG ARG B 30 5.947 -9.301 -8.161 1.00 0.00 C ATOM 1202 CD ARG B 30 6.503 -10.700 -8.374 1.00 0.00 C ATOM 1203 NE ARG B 30 6.224 -11.202 -9.715 1.00 0.00 N ATOM 1204 CZ ARG B 30 6.073 -12.488 -10.020 1.00 0.00 C ATOM 1205 NH1 ARG B 30 6.166 -13.422 -9.075 1.00 0.00 N ATOM 1206 NH2 ARG B 30 5.818 -12.838 -11.273 1.00 0.00 N ATOM 0 H ARG B 30 3.046 -8.994 -8.177 1.00 0.00 H new ATOM 0 HA ARG B 30 3.891 -8.920 -5.403 1.00 0.00 H new ATOM 0 HB2 ARG B 30 6.272 -8.262 -6.321 1.00 0.00 H new ATOM 0 HB3 ARG B 30 5.865 -9.955 -6.127 1.00 0.00 H new ATOM 0 HG2 ARG B 30 5.046 -9.169 -8.760 1.00 0.00 H new ATOM 0 HG3 ARG B 30 6.670 -8.562 -8.506 1.00 0.00 H new ATOM 0 HD2 ARG B 30 7.580 -10.691 -8.207 1.00 0.00 H new ATOM 0 HD3 ARG B 30 6.072 -11.377 -7.637 1.00 0.00 H new ATOM 0 HE ARG B 30 6.139 -10.521 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG B 30 6.354 -13.153 -8.109 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.049 -14.406 -9.317 1.00 0.00 H new ATOM 0 HH21 ARG B 30 5.739 -12.123 -11.996 1.00 0.00 H new ATOM 0 HH22 ARG B 30 5.701 -13.822 -11.514 1.00 0.00 H new ATOM 1220 N ILE B 31 4.388 -6.461 -5.545 1.00 0.00 N ATOM 1221 CA ILE B 31 4.337 -5.012 -5.511 1.00 0.00 C ATOM 1222 C ILE B 31 5.754 -4.482 -5.729 1.00 0.00 C ATOM 1223 O ILE B 31 6.670 -4.833 -4.985 1.00 0.00 O ATOM 1224 CB ILE B 31 3.760 -4.500 -4.161 1.00 0.00 C ATOM 1225 CG1 ILE B 31 4.193 -3.062 -3.880 1.00 0.00 C ATOM 1226 CG2 ILE B 31 4.173 -5.408 -3.010 1.00 0.00 C ATOM 1227 CD1 ILE B 31 3.630 -2.498 -2.591 1.00 0.00 C ATOM 0 H ILE B 31 4.755 -6.879 -4.690 1.00 0.00 H new ATOM 0 HA ILE B 31 3.675 -4.650 -6.298 1.00 0.00 H new ATOM 0 HB ILE B 31 2.673 -4.518 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE B 31 5.281 -3.021 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE B 31 3.881 -2.429 -4.710 1.00 0.00 H new ATOM 0 HG21 ILE B 31 3.756 -5.027 -2.078 1.00 0.00 H new ATOM 0 HG22 ILE B 31 3.799 -6.416 -3.189 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.260 -5.432 -2.938 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.980 -1.474 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE B 31 2.541 -2.506 -2.635 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.963 -3.107 -1.751 1.00 0.00 H new ATOM 1239 N ALA B 32 5.944 -3.671 -6.761 1.00 0.00 N ATOM 1240 CA ALA B 32 7.265 -3.142 -7.063 1.00 0.00 C ATOM 1241 C ALA B 32 7.276 -1.622 -7.071 1.00 0.00 C ATOM 1242 O ALA B 32 6.284 -0.981 -7.406 1.00 0.00 O ATOM 1243 CB ALA B 32 7.760 -3.679 -8.397 1.00 0.00 C ATOM 0 H ALA B 32 5.207 -3.368 -7.397 1.00 0.00 H new ATOM 0 HA ALA B 32 7.939 -3.474 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA B 32 8.750 -3.273 -8.608 1.00 0.00 H new ATOM 0 HB2 ALA B 32 7.815 -4.767 -8.353 1.00 0.00 H new ATOM 0 HB3 ALA B 32 7.070 -3.382 -9.187 1.00 0.00 H new ATOM 1249 N TRP B 33 8.412 -1.056 -6.709 1.00 0.00 N ATOM 1250 CA TRP B 33 8.570 0.384 -6.662 1.00 0.00 C ATOM 1251 C TRP B 33 9.799 0.808 -7.467 1.00 0.00 C ATOM 1252 O TRP B 33 10.816 0.108 -7.484 1.00 0.00 O ATOM 1253 CB TRP B 33 8.691 0.840 -5.203 1.00 0.00 C ATOM 1254 CG TRP B 33 8.888 2.317 -5.039 1.00 0.00 C ATOM 1255 CD1 TRP B 33 7.919 3.266 -4.888 1.00 0.00 C ATOM 1256 CD2 TRP B 33 10.137 3.010 -5.004 1.00 0.00 C ATOM 1257 NE1 TRP B 33 8.493 4.507 -4.768 1.00 0.00 N ATOM 1258 CE2 TRP B 33 9.854 4.375 -4.835 1.00 0.00 C ATOM 1259 CE3 TRP B 33 11.469 2.606 -5.102 1.00 0.00 C ATOM 1260 CZ2 TRP B 33 10.854 5.337 -4.762 1.00 0.00 C ATOM 1261 CZ3 TRP B 33 12.463 3.562 -5.029 1.00 0.00 C ATOM 1262 CH2 TRP B 33 12.150 4.915 -4.859 1.00 0.00 C ATOM 0 H TRP B 33 9.246 -1.578 -6.441 1.00 0.00 H new ATOM 0 HA TRP B 33 7.695 0.858 -7.106 1.00 0.00 H new ATOM 0 HB2 TRP B 33 7.791 0.542 -4.664 1.00 0.00 H new ATOM 0 HB3 TRP B 33 9.528 0.319 -4.739 1.00 0.00 H new ATOM 0 HD1 TRP B 33 6.857 3.070 -4.866 1.00 0.00 H new ATOM 0 HE1 TRP B 33 7.988 5.385 -4.648 1.00 0.00 H new ATOM 0 HE3 TRP B 33 11.718 1.563 -5.233 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 10.615 6.382 -4.633 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 13.497 3.261 -5.104 1.00 0.00 H new ATOM 0 HH2 TRP B 33 12.948 5.640 -4.803 1.00 0.00 H new ATOM 1273 N ALA B 34 9.688 1.949 -8.133 1.00 0.00 N ATOM 1274 CA ALA B 34 10.771 2.490 -8.943 1.00 0.00 C ATOM 1275 C ALA B 34 10.758 4.014 -8.882 1.00 0.00 C ATOM 1276 O ALA B 34 9.687 4.612 -8.882 1.00 0.00 O ATOM 1277 CB ALA B 34 10.632 2.022 -10.384 1.00 0.00 C ATOM 0 H ALA B 34 8.846 2.525 -8.127 1.00 0.00 H new ATOM 0 HA ALA B 34 11.721 2.130 -8.548 1.00 0.00 H new ATOM 0 HB1 ALA B 34 11.447 2.433 -10.980 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.670 0.933 -10.418 1.00 0.00 H new ATOM 0 HB3 ALA B 34 9.679 2.364 -10.787 1.00 0.00 H new ATOM 1283 N PRO B 35 11.941 4.657 -8.811 1.00 0.00 N ATOM 1284 CA PRO B 35 12.052 6.127 -8.751 1.00 0.00 C ATOM 1285 C PRO B 35 11.290 6.817 -9.886 1.00 0.00 C ATOM 1286 O PRO B 35 11.183 6.272 -10.990 1.00 0.00 O ATOM 1287 CB PRO B 35 13.556 6.378 -8.877 1.00 0.00 C ATOM 1288 CG PRO B 35 14.189 5.126 -8.375 1.00 0.00 C ATOM 1289 CD PRO B 35 13.263 4.008 -8.775 1.00 0.00 C ATOM 0 HA PRO B 35 11.618 6.531 -7.836 1.00 0.00 H new ATOM 0 HB2 PRO B 35 13.839 6.579 -9.910 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.864 7.242 -8.288 1.00 0.00 H new ATOM 0 HG2 PRO B 35 15.179 4.987 -8.809 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.317 5.159 -7.293 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.532 3.591 -9.745 1.00 0.00 H new ATOM 0 HD3 PRO B 35 13.289 3.188 -8.057 1.00 0.00 H new ATOM 1411 N ILE B 43 12.769 -2.068 -6.006 1.00 0.00 N ATOM 1412 CA ILE B 43 12.200 -2.821 -4.901 1.00 0.00 C ATOM 1413 C ILE B 43 10.988 -3.623 -5.368 1.00 0.00 C ATOM 1414 O ILE B 43 10.147 -3.102 -6.097 1.00 0.00 O ATOM 1415 CB ILE B 43 11.771 -1.888 -3.749 1.00 0.00 C ATOM 1416 CG1 ILE B 43 12.711 -0.683 -3.636 1.00 0.00 C ATOM 1417 CG2 ILE B 43 11.751 -2.656 -2.439 1.00 0.00 C ATOM 1418 CD1 ILE B 43 12.305 0.305 -2.561 1.00 0.00 C ATOM 0 HA ILE B 43 12.972 -3.499 -4.538 1.00 0.00 H new ATOM 0 HB ILE B 43 10.769 -1.518 -3.966 1.00 0.00 H new ATOM 0 HG12 ILE B 43 13.720 -1.038 -3.428 1.00 0.00 H new ATOM 0 HG13 ILE B 43 12.745 -0.168 -4.596 1.00 0.00 H new ATOM 0 HG21 ILE B 43 11.447 -1.990 -1.631 1.00 0.00 H new ATOM 0 HG22 ILE B 43 11.045 -3.483 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE B 43 12.747 -3.047 -2.231 1.00 0.00 H new ATOM 0 HD11 ILE B 43 13.016 1.131 -2.539 1.00 0.00 H new ATOM 0 HD12 ILE B 43 11.308 0.689 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE B 43 12.298 -0.194 -1.592 1.00 0.00 H new ATOM 1430 N SER B 44 10.914 -4.890 -4.971 1.00 0.00 N ATOM 1431 CA SER B 44 9.801 -5.751 -5.351 1.00 0.00 C ATOM 1432 C SER B 44 9.505 -6.768 -4.248 1.00 0.00 C ATOM 1433 O SER B 44 10.404 -7.471 -3.786 1.00 0.00 O ATOM 1434 CB SER B 44 10.121 -6.470 -6.664 1.00 0.00 C ATOM 1435 OG SER B 44 8.974 -7.117 -7.195 1.00 0.00 O ATOM 0 H SER B 44 11.615 -5.343 -4.384 1.00 0.00 H new ATOM 0 HA SER B 44 8.915 -5.132 -5.492 1.00 0.00 H new ATOM 0 HB2 SER B 44 10.504 -5.752 -7.389 1.00 0.00 H new ATOM 0 HB3 SER B 44 10.909 -7.204 -6.496 1.00 0.00 H new ATOM 0 HG SER B 44 9.210 -7.565 -8.034 1.00 0.00 H new ATOM 1441 N HIS B 45 8.248 -6.831 -3.824 1.00 0.00 N ATOM 1442 CA HIS B 45 7.829 -7.761 -2.779 1.00 0.00 C ATOM 1443 C HIS B 45 6.614 -8.545 -3.232 1.00 0.00 C ATOM 1444 O HIS B 45 5.646 -7.966 -3.711 1.00 0.00 O ATOM 1445 CB HIS B 45 7.463 -7.024 -1.483 1.00 0.00 C ATOM 1446 CG HIS B 45 8.304 -5.824 -1.181 1.00 0.00 C ATOM 1447 ND1 HIS B 45 9.423 -5.845 -0.379 1.00 0.00 N ATOM 1448 CD2 HIS B 45 8.160 -4.541 -1.592 1.00 0.00 C ATOM 1449 CE1 HIS B 45 9.910 -4.604 -0.328 1.00 0.00 C ATOM 1450 NE2 HIS B 45 9.179 -3.773 -1.050 1.00 0.00 N ATOM 0 H HIS B 45 7.497 -6.246 -4.190 1.00 0.00 H new ATOM 0 HA HIS B 45 8.669 -8.429 -2.589 1.00 0.00 H new ATOM 0 HB2 HIS B 45 6.420 -6.713 -1.541 1.00 0.00 H new ATOM 0 HB3 HIS B 45 7.541 -7.723 -0.650 1.00 0.00 H new ATOM 0 HD2 HIS B 45 7.376 -4.175 -2.239 1.00 0.00 H new ATOM 0 HE1 HIS B 45 10.788 -4.316 0.231 1.00 0.00 H new ATOM 0 HE2 HIS B 45 9.333 -2.773 -1.181 1.00 0.00 H new ATOM 1458 N MET B 46 6.657 -9.854 -3.094 1.00 0.00 N ATOM 1459 CA MET B 46 5.520 -10.671 -3.477 1.00 0.00 C ATOM 1460 C MET B 46 4.514 -10.691 -2.339 1.00 0.00 C ATOM 1461 O MET B 46 4.898 -10.750 -1.172 1.00 0.00 O ATOM 1462 CB MET B 46 5.952 -12.095 -3.838 1.00 0.00 C ATOM 1463 CG MET B 46 6.616 -12.196 -5.200 1.00 0.00 C ATOM 1464 SD MET B 46 6.661 -13.880 -5.847 1.00 0.00 S ATOM 1465 CE MET B 46 4.976 -14.409 -5.544 1.00 0.00 C ATOM 0 H MET B 46 7.455 -10.371 -2.725 1.00 0.00 H new ATOM 0 HA MET B 46 5.060 -10.237 -4.364 1.00 0.00 H new ATOM 0 HB2 MET B 46 6.642 -12.461 -3.078 1.00 0.00 H new ATOM 0 HB3 MET B 46 5.079 -12.748 -3.818 1.00 0.00 H new ATOM 0 HG2 MET B 46 6.084 -11.557 -5.905 1.00 0.00 H new ATOM 0 HG3 MET B 46 7.634 -11.814 -5.130 1.00 0.00 H new ATOM 0 HE1 MET B 46 4.770 -15.313 -6.117 1.00 0.00 H new ATOM 0 HE2 MET B 46 4.845 -14.615 -4.482 1.00 0.00 H new ATOM 0 HE3 MET B 46 4.287 -13.621 -5.848 1.00 0.00 H new ATOM 1475 N TYR B 47 3.231 -10.608 -2.676 1.00 0.00 N ATOM 1476 CA TYR B 47 2.166 -10.619 -1.669 1.00 0.00 C ATOM 1477 C TYR B 47 2.321 -11.834 -0.757 1.00 0.00 C ATOM 1478 O TYR B 47 2.072 -11.769 0.447 1.00 0.00 O ATOM 1479 CB TYR B 47 0.785 -10.634 -2.332 1.00 0.00 C ATOM 1480 CG TYR B 47 0.466 -9.391 -3.137 1.00 0.00 C ATOM 1481 CD1 TYR B 47 1.031 -9.185 -4.388 1.00 0.00 C ATOM 1482 CD2 TYR B 47 -0.412 -8.428 -2.652 1.00 0.00 C ATOM 1483 CE1 TYR B 47 0.735 -8.060 -5.131 1.00 0.00 C ATOM 1484 CE2 TYR B 47 -0.713 -7.299 -3.392 1.00 0.00 C ATOM 1485 CZ TYR B 47 -0.136 -7.121 -4.630 1.00 0.00 C ATOM 1486 OH TYR B 47 -0.433 -6.003 -5.374 1.00 0.00 O ATOM 0 H TYR B 47 2.900 -10.532 -3.638 1.00 0.00 H new ATOM 0 HA TYR B 47 2.250 -9.710 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR B 47 0.719 -11.503 -2.986 1.00 0.00 H new ATOM 0 HB3 TYR B 47 0.026 -10.757 -1.560 1.00 0.00 H new ATOM 0 HD1 TYR B 47 1.715 -9.919 -4.788 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -0.866 -8.564 -1.682 1.00 0.00 H new ATOM 0 HE1 TYR B 47 1.186 -7.918 -6.102 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.397 -6.560 -3.001 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.374 -6.220 -6.328 1.00 0.00 H new ATOM 1496 N ALA B 48 2.721 -12.943 -1.363 1.00 0.00 N ATOM 1497 CA ALA B 48 2.966 -14.191 -0.652 1.00 0.00 C ATOM 1498 C ALA B 48 3.980 -14.053 0.491 1.00 0.00 C ATOM 1499 O ALA B 48 3.963 -14.863 1.412 1.00 0.00 O ATOM 1500 CB ALA B 48 3.468 -15.237 -1.634 1.00 0.00 C ATOM 0 H ALA B 48 2.886 -13.003 -2.368 1.00 0.00 H new ATOM 0 HA ALA B 48 2.018 -14.489 -0.204 1.00 0.00 H new ATOM 0 HB1 ALA B 48 3.653 -16.173 -1.106 1.00 0.00 H new ATOM 0 HB2 ALA B 48 2.718 -15.399 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA B 48 4.394 -14.890 -2.093 1.00 0.00 H new ATOM 1506 N ASP B 49 4.846 -13.034 0.437 1.00 0.00 N ATOM 1507 CA ASP B 49 5.885 -12.836 1.451 1.00 0.00 C ATOM 1508 C ASP B 49 5.559 -11.713 2.431 1.00 0.00 C ATOM 1509 O ASP B 49 6.249 -11.546 3.441 1.00 0.00 O ATOM 1510 CB ASP B 49 7.209 -12.502 0.791 1.00 0.00 C ATOM 1511 CG ASP B 49 7.575 -13.444 -0.335 1.00 0.00 C ATOM 1512 OD1 ASP B 49 7.749 -14.650 -0.066 1.00 0.00 O ATOM 1513 OD2 ASP B 49 7.695 -12.977 -1.484 1.00 0.00 O ATOM 0 H ASP B 49 4.846 -12.331 -0.302 1.00 0.00 H new ATOM 0 HA ASP B 49 5.942 -13.773 2.004 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.167 -11.484 0.404 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.997 -12.524 1.544 1.00 0.00 H new ATOM 1518 N ILE B 50 4.540 -10.928 2.151 1.00 0.00 N ATOM 1519 CA ILE B 50 4.186 -9.850 3.059 1.00 0.00 C ATOM 1520 C ILE B 50 3.285 -10.394 4.152 1.00 0.00 C ATOM 1521 O ILE B 50 2.312 -11.088 3.873 1.00 0.00 O ATOM 1522 CB ILE B 50 3.515 -8.670 2.335 1.00 0.00 C ATOM 1523 CG1 ILE B 50 4.146 -8.490 0.950 1.00 0.00 C ATOM 1524 CG2 ILE B 50 3.657 -7.392 3.161 1.00 0.00 C ATOM 1525 CD1 ILE B 50 3.747 -7.213 0.256 1.00 0.00 C ATOM 0 H ILE B 50 3.952 -11.010 1.322 1.00 0.00 H new ATOM 0 HA ILE B 50 5.105 -9.461 3.497 1.00 0.00 H new ATOM 0 HB ILE B 50 2.452 -8.881 2.214 1.00 0.00 H new ATOM 0 HG12 ILE B 50 5.231 -8.513 1.051 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.866 -9.336 0.322 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.178 -6.565 2.637 1.00 0.00 H new ATOM 0 HG22 ILE B 50 3.181 -7.531 4.132 1.00 0.00 H new ATOM 0 HG23 ILE B 50 4.714 -7.167 3.304 1.00 0.00 H new ATOM 0 HD11 ILE B 50 4.235 -7.160 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.666 -7.195 0.121 1.00 0.00 H new ATOM 0 HD13 ILE B 50 4.052 -6.359 0.861 1.00 0.00 H new ATOM 1537 N LYS B 51 3.633 -10.100 5.393 1.00 0.00 N ATOM 1538 CA LYS B 51 2.880 -10.593 6.534 1.00 0.00 C ATOM 1539 C LYS B 51 1.890 -9.546 7.047 1.00 0.00 C ATOM 1540 O LYS B 51 0.799 -9.872 7.508 1.00 0.00 O ATOM 1541 CB LYS B 51 3.849 -10.974 7.653 1.00 0.00 C ATOM 1542 CG LYS B 51 3.176 -11.517 8.903 1.00 0.00 C ATOM 1543 CD LYS B 51 4.187 -11.766 10.010 1.00 0.00 C ATOM 1544 CE LYS B 51 4.875 -10.480 10.443 1.00 0.00 C ATOM 1545 NZ LYS B 51 5.923 -10.732 11.470 1.00 0.00 N ATOM 0 H LYS B 51 4.436 -9.520 5.637 1.00 0.00 H new ATOM 0 HA LYS B 51 2.311 -11.466 6.216 1.00 0.00 H new ATOM 0 HB2 LYS B 51 4.546 -11.722 7.275 1.00 0.00 H new ATOM 0 HB3 LYS B 51 4.438 -10.097 7.923 1.00 0.00 H new ATOM 0 HG2 LYS B 51 2.422 -10.810 9.249 1.00 0.00 H new ATOM 0 HG3 LYS B 51 2.658 -12.446 8.665 1.00 0.00 H new ATOM 0 HD2 LYS B 51 3.685 -12.217 10.866 1.00 0.00 H new ATOM 0 HD3 LYS B 51 4.935 -12.481 9.666 1.00 0.00 H new ATOM 0 HE2 LYS B 51 5.325 -9.999 9.575 1.00 0.00 H new ATOM 0 HE3 LYS B 51 4.134 -9.788 10.842 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 6.369 -9.832 11.739 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 5.489 -11.168 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 6.644 -11.372 11.080 1.00 0.00 H new ATOM 1559 N CYS B 52 2.292 -8.286 6.974 1.00 0.00 N ATOM 1560 CA CYS B 52 1.474 -7.178 7.454 1.00 0.00 C ATOM 1561 C CYS B 52 1.829 -5.915 6.683 1.00 0.00 C ATOM 1562 O CYS B 52 2.828 -5.877 5.963 1.00 0.00 O ATOM 1563 CB CYS B 52 1.720 -6.939 8.951 1.00 0.00 C ATOM 1564 SG CYS B 52 1.527 -8.407 9.990 1.00 0.00 S ATOM 0 H CYS B 52 3.190 -8.002 6.583 1.00 0.00 H new ATOM 0 HA CYS B 52 0.424 -7.427 7.301 1.00 0.00 H new ATOM 0 HB2 CYS B 52 2.729 -6.547 9.082 1.00 0.00 H new ATOM 0 HB3 CYS B 52 1.032 -6.170 9.301 1.00 0.00 H new ATOM 0 HG CYS B 52 0.952 -9.351 9.305 1.00 0.00 H new ATOM 1570 N GLN B 53 1.019 -4.889 6.839 1.00 0.00 N ATOM 1571 CA GLN B 53 1.254 -3.613 6.184 1.00 0.00 C ATOM 1572 C GLN B 53 0.659 -2.527 7.042 1.00 0.00 C ATOM 1573 O GLN B 53 -0.449 -2.655 7.491 1.00 0.00 O ATOM 1574 CB GLN B 53 0.640 -3.593 4.787 1.00 0.00 C ATOM 1575 CG GLN B 53 -0.837 -3.919 4.785 1.00 0.00 C ATOM 1576 CD GLN B 53 -1.635 -2.990 3.905 1.00 0.00 C ATOM 1577 OE1 GLN B 53 -1.253 -1.850 3.661 1.00 0.00 O ATOM 1578 NE2 GLN B 53 -2.765 -3.472 3.448 1.00 0.00 N ATOM 0 H GLN B 53 0.181 -4.912 7.421 1.00 0.00 H new ATOM 0 HA GLN B 53 2.326 -3.452 6.067 1.00 0.00 H new ATOM 0 HB2 GLN B 53 0.789 -2.608 4.345 1.00 0.00 H new ATOM 0 HB3 GLN B 53 1.165 -4.309 4.155 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -0.978 -4.945 4.446 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -1.219 -3.865 5.805 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -3.042 -4.427 3.677 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -3.367 -2.893 2.863 1.00 0.00 H new ATOM 1587 N LYS B 54 1.379 -1.471 7.300 1.00 0.00 N ATOM 1588 CA LYS B 54 0.843 -0.432 8.145 1.00 0.00 C ATOM 1589 C LYS B 54 0.758 0.878 7.385 1.00 0.00 C ATOM 1590 O LYS B 54 1.424 1.057 6.373 1.00 0.00 O ATOM 1591 CB LYS B 54 1.675 -0.294 9.409 1.00 0.00 C ATOM 1592 CG LYS B 54 2.209 -1.607 9.962 1.00 0.00 C ATOM 1593 CD LYS B 54 2.940 -1.394 11.280 1.00 0.00 C ATOM 1594 CE LYS B 54 3.323 -2.716 11.929 1.00 0.00 C ATOM 1595 NZ LYS B 54 3.547 -2.575 13.395 1.00 0.00 N ATOM 0 H LYS B 54 2.321 -1.305 6.947 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.169 -0.706 8.444 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.516 0.368 9.204 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.069 0.189 10.176 1.00 0.00 H new ATOM 0 HG2 LYS B 54 1.384 -2.304 10.109 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.885 -2.061 9.238 1.00 0.00 H new ATOM 0 HD2 LYS B 54 3.837 -0.800 11.107 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.307 -0.824 11.960 1.00 0.00 H new ATOM 0 HE2 LYS B 54 2.535 -3.448 11.752 1.00 0.00 H new ATOM 0 HE3 LYS B 54 4.228 -3.101 11.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 3.773 -3.505 13.803 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 4.338 -1.922 13.564 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 2.687 -2.200 13.843 1.00 0.00 H new ATOM 1609 N ILE B 55 -0.056 1.792 7.876 1.00 0.00 N ATOM 1610 CA ILE B 55 -0.269 3.066 7.203 1.00 0.00 C ATOM 1611 C ILE B 55 -0.109 4.256 8.148 1.00 0.00 C ATOM 1612 O ILE B 55 -0.686 4.268 9.227 1.00 0.00 O ATOM 1613 CB ILE B 55 -1.694 3.074 6.620 1.00 0.00 C ATOM 1614 CG1 ILE B 55 -2.716 2.934 7.759 1.00 0.00 C ATOM 1615 CG2 ILE B 55 -1.848 1.935 5.628 1.00 0.00 C ATOM 1616 CD1 ILE B 55 -3.950 2.147 7.408 1.00 0.00 C ATOM 0 H ILE B 55 -0.584 1.679 8.741 1.00 0.00 H new ATOM 0 HA ILE B 55 0.483 3.167 6.421 1.00 0.00 H new ATOM 0 HB ILE B 55 -1.871 4.016 6.101 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -2.228 2.457 8.609 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -3.018 3.930 8.082 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -2.858 1.944 5.218 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -1.127 2.056 4.820 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -1.670 0.986 6.133 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -4.611 2.102 8.273 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -4.468 2.632 6.580 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -3.666 1.136 7.116 1.00 0.00 H new ATOM 1628 N SER B 56 0.690 5.249 7.767 1.00 0.00 N ATOM 1629 CA SER B 56 0.845 6.421 8.610 1.00 0.00 C ATOM 1630 C SER B 56 -0.397 7.281 8.430 1.00 0.00 C ATOM 1631 O SER B 56 -0.643 7.820 7.332 1.00 0.00 O ATOM 1632 CB SER B 56 2.136 7.198 8.307 1.00 0.00 C ATOM 1633 OG SER B 56 1.948 8.172 7.303 1.00 0.00 O ATOM 0 H SER B 56 1.227 5.264 6.900 1.00 0.00 H new ATOM 0 HA SER B 56 0.942 6.115 9.652 1.00 0.00 H new ATOM 0 HB2 SER B 56 2.490 7.681 9.218 1.00 0.00 H new ATOM 0 HB3 SER B 56 2.913 6.501 7.994 1.00 0.00 H new ATOM 0 HG SER B 56 0.994 8.380 7.223 1.00 0.00 H new ATOM 1639 N PRO B 57 -1.178 7.382 9.520 1.00 0.00 N ATOM 1640 CA PRO B 57 -2.468 8.089 9.575 1.00 0.00 C ATOM 1641 C PRO B 57 -2.376 9.606 9.579 1.00 0.00 C ATOM 1642 O PRO B 57 -1.296 10.187 9.735 1.00 0.00 O ATOM 1643 CB PRO B 57 -3.054 7.614 10.904 1.00 0.00 C ATOM 1644 CG PRO B 57 -1.863 7.365 11.760 1.00 0.00 C ATOM 1645 CD PRO B 57 -0.823 6.809 10.838 1.00 0.00 C ATOM 0 HA PRO B 57 -3.058 7.868 8.685 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -3.709 8.367 11.342 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -3.649 6.710 10.776 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -1.519 8.285 12.232 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -2.094 6.663 12.561 1.00 0.00 H new ATOM 0 HD2 PRO B 57 0.181 7.102 11.144 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -0.846 5.719 10.820 1.00 0.00 H new ATOM 1653 N GLU B 58 -3.538 10.229 9.380 1.00 0.00 N ATOM 1654 CA GLU B 58 -3.665 11.677 9.381 1.00 0.00 C ATOM 1655 C GLU B 58 -3.152 12.247 10.698 1.00 0.00 C ATOM 1656 O GLU B 58 -3.187 11.584 11.735 1.00 0.00 O ATOM 1657 CB GLU B 58 -5.124 12.091 9.164 1.00 0.00 C ATOM 1658 CG GLU B 58 -5.515 12.226 7.699 1.00 0.00 C ATOM 1659 CD GLU B 58 -5.162 10.999 6.883 1.00 0.00 C ATOM 1660 OE1 GLU B 58 -5.919 10.010 6.930 1.00 0.00 O ATOM 1661 OE2 GLU B 58 -4.117 11.015 6.206 1.00 0.00 O ATOM 0 H GLU B 58 -4.416 9.738 9.214 1.00 0.00 H new ATOM 0 HA GLU B 58 -3.066 12.076 8.562 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -5.774 11.355 9.637 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -5.300 13.042 9.666 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -6.588 12.407 7.629 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -5.016 13.096 7.273 1.00 0.00 H new ATOM 1668 N GLY B 59 -2.690 13.476 10.647 1.00 0.00 N ATOM 1669 CA GLY B 59 -2.134 14.110 11.819 1.00 0.00 C ATOM 1670 C GLY B 59 -0.673 14.370 11.581 1.00 0.00 C ATOM 1671 O GLY B 59 -0.091 15.319 12.104 1.00 0.00 O ATOM 0 H GLY B 59 -2.689 14.055 9.807 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -2.655 15.045 12.026 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -2.266 13.471 12.692 1.00 0.00 H new ATOM 1675 N LYS B 60 -0.085 13.500 10.773 1.00 0.00 N ATOM 1676 CA LYS B 60 1.300 13.626 10.389 1.00 0.00 C ATOM 1677 C LYS B 60 1.378 14.577 9.205 1.00 0.00 C ATOM 1678 O LYS B 60 0.383 14.802 8.519 1.00 0.00 O ATOM 1679 CB LYS B 60 1.880 12.266 9.986 1.00 0.00 C ATOM 1680 CG LYS B 60 2.012 11.269 11.128 1.00 0.00 C ATOM 1681 CD LYS B 60 2.338 9.880 10.597 1.00 0.00 C ATOM 1682 CE LYS B 60 3.420 9.189 11.415 1.00 0.00 C ATOM 1683 NZ LYS B 60 4.598 10.063 11.659 1.00 0.00 N ATOM 0 H LYS B 60 -0.559 12.692 10.370 1.00 0.00 H new ATOM 0 HA LYS B 60 1.877 14.006 11.232 1.00 0.00 H new ATOM 0 HB2 LYS B 60 1.247 11.831 9.213 1.00 0.00 H new ATOM 0 HB3 LYS B 60 2.863 12.422 9.542 1.00 0.00 H new ATOM 0 HG2 LYS B 60 2.795 11.595 11.813 1.00 0.00 H new ATOM 0 HG3 LYS B 60 1.083 11.237 11.698 1.00 0.00 H new ATOM 0 HD2 LYS B 60 1.435 9.270 10.604 1.00 0.00 H new ATOM 0 HD3 LYS B 60 2.663 9.957 9.559 1.00 0.00 H new ATOM 0 HE2 LYS B 60 3.002 8.874 12.371 1.00 0.00 H new ATOM 0 HE3 LYS B 60 3.743 8.287 10.895 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 5.424 9.475 11.890 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 4.799 10.622 10.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 4.396 10.704 12.453 1.00 0.00 H new ATOM 1697 N ALA B 61 2.550 15.129 8.962 1.00 0.00 N ATOM 1698 CA ALA B 61 2.742 16.041 7.844 1.00 0.00 C ATOM 1699 C ALA B 61 2.850 15.264 6.536 1.00 0.00 C ATOM 1700 O ALA B 61 2.947 15.848 5.459 1.00 0.00 O ATOM 1701 CB ALA B 61 3.982 16.894 8.061 1.00 0.00 C ATOM 0 H ALA B 61 3.386 14.964 9.522 1.00 0.00 H new ATOM 0 HA ALA B 61 1.877 16.701 7.783 1.00 0.00 H new ATOM 0 HB1 ALA B 61 4.111 17.570 7.216 1.00 0.00 H new ATOM 0 HB2 ALA B 61 3.869 17.475 8.976 1.00 0.00 H new ATOM 0 HB3 ALA B 61 4.857 16.249 8.146 1.00 0.00 H new ATOM 1707 N LYS B 62 2.841 13.942 6.644 1.00 0.00 N ATOM 1708 CA LYS B 62 2.974 13.079 5.483 1.00 0.00 C ATOM 1709 C LYS B 62 2.129 11.811 5.613 1.00 0.00 C ATOM 1710 O LYS B 62 2.002 11.244 6.700 1.00 0.00 O ATOM 1711 CB LYS B 62 4.447 12.710 5.310 1.00 0.00 C ATOM 1712 CG LYS B 62 5.161 12.445 6.629 1.00 0.00 C ATOM 1713 CD LYS B 62 6.535 13.092 6.661 1.00 0.00 C ATOM 1714 CE LYS B 62 7.496 12.381 5.729 1.00 0.00 C ATOM 1715 NZ LYS B 62 8.825 13.043 5.678 1.00 0.00 N ATOM 0 H LYS B 62 2.742 13.444 7.529 1.00 0.00 H new ATOM 0 HA LYS B 62 2.611 13.619 4.609 1.00 0.00 H new ATOM 0 HB2 LYS B 62 4.521 11.823 4.681 1.00 0.00 H new ATOM 0 HB3 LYS B 62 4.957 13.517 4.784 1.00 0.00 H new ATOM 0 HG2 LYS B 62 4.559 12.828 7.453 1.00 0.00 H new ATOM 0 HG3 LYS B 62 5.261 11.370 6.780 1.00 0.00 H new ATOM 0 HD2 LYS B 62 6.453 14.140 6.373 1.00 0.00 H new ATOM 0 HD3 LYS B 62 6.927 13.070 7.678 1.00 0.00 H new ATOM 0 HE2 LYS B 62 7.619 11.349 6.056 1.00 0.00 H new ATOM 0 HE3 LYS B 62 7.070 12.349 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 8.989 13.419 4.722 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 8.851 13.822 6.366 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 9.566 12.351 5.910 1.00 0.00 H new ATOM 1729 N ILE B 63 1.557 11.386 4.491 1.00 0.00 N ATOM 1730 CA ILE B 63 0.738 10.176 4.420 1.00 0.00 C ATOM 1731 C ILE B 63 1.628 9.028 3.951 1.00 0.00 C ATOM 1732 O ILE B 63 2.281 9.152 2.917 1.00 0.00 O ATOM 1733 CB ILE B 63 -0.434 10.372 3.430 1.00 0.00 C ATOM 1734 CG1 ILE B 63 -1.435 11.392 3.978 1.00 0.00 C ATOM 1735 CG2 ILE B 63 -1.128 9.057 3.132 1.00 0.00 C ATOM 1736 CD1 ILE B 63 -1.236 12.789 3.431 1.00 0.00 C ATOM 0 H ILE B 63 1.648 11.873 3.599 1.00 0.00 H new ATOM 0 HA ILE B 63 0.318 9.956 5.401 1.00 0.00 H new ATOM 0 HB ILE B 63 -0.022 10.754 2.496 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -2.446 11.059 3.743 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -1.354 11.421 5.065 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -1.947 9.228 2.433 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -0.414 8.361 2.691 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -1.522 8.636 4.057 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -1.980 13.458 3.863 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -0.237 13.142 3.689 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -1.347 12.774 2.347 1.00 0.00 H new ATOM 1748 N GLN B 64 1.674 7.909 4.676 1.00 0.00 N ATOM 1749 CA GLN B 64 2.592 6.832 4.272 1.00 0.00 C ATOM 1750 C GLN B 64 2.039 5.414 4.464 1.00 0.00 C ATOM 1751 O GLN B 64 0.982 5.213 5.058 1.00 0.00 O ATOM 1752 CB GLN B 64 3.914 6.958 5.034 1.00 0.00 C ATOM 1753 CG GLN B 64 4.569 8.328 4.958 1.00 0.00 C ATOM 1754 CD GLN B 64 5.861 8.392 5.744 1.00 0.00 C ATOM 1755 OE1 GLN B 64 6.205 9.429 6.310 1.00 0.00 O ATOM 1756 NE2 GLN B 64 6.587 7.286 5.785 1.00 0.00 N ATOM 0 H GLN B 64 1.116 7.724 5.509 1.00 0.00 H new ATOM 0 HA GLN B 64 2.736 6.964 3.200 1.00 0.00 H new ATOM 0 HB2 GLN B 64 3.737 6.713 6.081 1.00 0.00 H new ATOM 0 HB3 GLN B 64 4.612 6.216 4.647 1.00 0.00 H new ATOM 0 HG2 GLN B 64 4.768 8.576 3.915 1.00 0.00 H new ATOM 0 HG3 GLN B 64 3.878 9.080 5.338 1.00 0.00 H new ATOM 0 HE21 GLN B 64 6.266 6.447 5.302 1.00 0.00 H new ATOM 0 HE22 GLN B 64 7.467 7.273 6.300 1.00 0.00 H new ATOM 1765 N LEU B 65 2.794 4.444 3.927 1.00 0.00 N ATOM 1766 CA LEU B 65 2.478 3.016 3.992 1.00 0.00 C ATOM 1767 C LEU B 65 3.753 2.189 4.239 1.00 0.00 C ATOM 1768 O LEU B 65 4.709 2.297 3.475 1.00 0.00 O ATOM 1769 CB LEU B 65 1.900 2.588 2.654 1.00 0.00 C ATOM 1770 CG LEU B 65 1.389 1.152 2.582 1.00 0.00 C ATOM 1771 CD1 LEU B 65 -0.081 1.084 2.950 1.00 0.00 C ATOM 1772 CD2 LEU B 65 1.631 0.574 1.198 1.00 0.00 C ATOM 0 H LEU B 65 3.660 4.639 3.425 1.00 0.00 H new ATOM 0 HA LEU B 65 1.772 2.849 4.806 1.00 0.00 H new ATOM 0 HB2 LEU B 65 1.079 3.259 2.403 1.00 0.00 H new ATOM 0 HB3 LEU B 65 2.666 2.720 1.889 1.00 0.00 H new ATOM 0 HG LEU B 65 1.942 0.552 3.305 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -0.423 0.051 2.892 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -0.219 1.455 3.965 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -0.658 1.697 2.258 1.00 0.00 H new ATOM 0 HD21 LEU B 65 1.261 -0.451 1.162 1.00 0.00 H new ATOM 0 HD22 LEU B 65 1.106 1.175 0.456 1.00 0.00 H new ATOM 0 HD23 LEU B 65 2.699 0.582 0.982 1.00 0.00 H new ATOM 1784 N GLN B 66 3.792 1.387 5.304 1.00 0.00 N ATOM 1785 CA GLN B 66 4.960 0.548 5.563 1.00 0.00 C ATOM 1786 C GLN B 66 4.599 -0.928 5.388 1.00 0.00 C ATOM 1787 O GLN B 66 3.546 -1.377 5.832 1.00 0.00 O ATOM 1788 CB GLN B 66 5.568 0.803 6.949 1.00 0.00 C ATOM 1789 CG GLN B 66 4.936 0.029 8.092 1.00 0.00 C ATOM 1790 CD GLN B 66 5.943 -0.342 9.169 1.00 0.00 C ATOM 1791 OE1 GLN B 66 5.702 -1.237 9.977 1.00 0.00 O ATOM 1792 NE2 GLN B 66 7.090 0.324 9.175 1.00 0.00 N ATOM 0 H GLN B 66 3.042 1.302 5.990 1.00 0.00 H new ATOM 0 HA GLN B 66 5.723 0.816 4.833 1.00 0.00 H new ATOM 0 HB2 GLN B 66 6.630 0.559 6.911 1.00 0.00 H new ATOM 0 HB3 GLN B 66 5.493 1.868 7.169 1.00 0.00 H new ATOM 0 HG2 GLN B 66 4.139 0.626 8.534 1.00 0.00 H new ATOM 0 HG3 GLN B 66 4.475 -0.878 7.702 1.00 0.00 H new ATOM 0 HE21 GLN B 66 7.256 1.061 8.489 1.00 0.00 H new ATOM 0 HE22 GLN B 66 7.807 0.099 9.865 1.00 0.00 H new ATOM 1801 N LEU B 67 5.463 -1.672 4.724 1.00 0.00 N ATOM 1802 CA LEU B 67 5.235 -3.090 4.487 1.00 0.00 C ATOM 1803 C LEU B 67 6.051 -3.923 5.461 1.00 0.00 C ATOM 1804 O LEU B 67 7.220 -3.640 5.691 1.00 0.00 O ATOM 1805 CB LEU B 67 5.621 -3.461 3.054 1.00 0.00 C ATOM 1806 CG LEU B 67 4.775 -2.812 1.960 1.00 0.00 C ATOM 1807 CD1 LEU B 67 5.339 -3.149 0.590 1.00 0.00 C ATOM 1808 CD2 LEU B 67 3.327 -3.266 2.068 1.00 0.00 C ATOM 0 H LEU B 67 6.337 -1.317 4.335 1.00 0.00 H new ATOM 0 HA LEU B 67 4.175 -3.295 4.636 1.00 0.00 H new ATOM 0 HB2 LEU B 67 6.664 -3.187 2.894 1.00 0.00 H new ATOM 0 HB3 LEU B 67 5.555 -4.544 2.947 1.00 0.00 H new ATOM 0 HG LEU B 67 4.806 -1.730 2.091 1.00 0.00 H new ATOM 0 HD11 LEU B 67 4.727 -2.680 -0.181 1.00 0.00 H new ATOM 0 HD12 LEU B 67 6.362 -2.779 0.516 1.00 0.00 H new ATOM 0 HD13 LEU B 67 5.334 -4.230 0.450 1.00 0.00 H new ATOM 0 HD21 LEU B 67 2.738 -2.794 1.281 1.00 0.00 H new ATOM 0 HD22 LEU B 67 3.276 -4.349 1.959 1.00 0.00 H new ATOM 0 HD23 LEU B 67 2.928 -2.980 3.041 1.00 0.00 H new ATOM 1820 N VAL B 68 5.426 -4.933 6.040 1.00 0.00 N ATOM 1821 CA VAL B 68 6.097 -5.818 6.978 1.00 0.00 C ATOM 1822 C VAL B 68 6.058 -7.243 6.449 1.00 0.00 C ATOM 1823 O VAL B 68 5.028 -7.915 6.521 1.00 0.00 O ATOM 1824 CB VAL B 68 5.436 -5.781 8.375 1.00 0.00 C ATOM 1825 CG1 VAL B 68 6.171 -6.692 9.350 1.00 0.00 C ATOM 1826 CG2 VAL B 68 5.378 -4.358 8.907 1.00 0.00 C ATOM 0 H VAL B 68 4.446 -5.163 5.875 1.00 0.00 H new ATOM 0 HA VAL B 68 7.127 -5.475 7.079 1.00 0.00 H new ATOM 0 HB VAL B 68 4.415 -6.149 8.274 1.00 0.00 H new ATOM 0 HG11 VAL B 68 5.686 -6.648 10.325 1.00 0.00 H new ATOM 0 HG12 VAL B 68 6.147 -7.717 8.979 1.00 0.00 H new ATOM 0 HG13 VAL B 68 7.206 -6.364 9.444 1.00 0.00 H new ATOM 0 HG21 VAL B 68 4.909 -4.356 9.891 1.00 0.00 H new ATOM 0 HG22 VAL B 68 6.389 -3.958 8.986 1.00 0.00 H new ATOM 0 HG23 VAL B 68 4.795 -3.738 8.226 1.00 0.00 H new ATOM 1836 N LEU B 69 7.167 -7.705 5.905 1.00 0.00 N ATOM 1837 CA LEU B 69 7.226 -9.050 5.366 1.00 0.00 C ATOM 1838 C LEU B 69 7.486 -10.038 6.495 1.00 0.00 C ATOM 1839 O LEU B 69 8.045 -9.670 7.529 1.00 0.00 O ATOM 1840 CB LEU B 69 8.305 -9.182 4.286 1.00 0.00 C ATOM 1841 CG LEU B 69 8.273 -8.126 3.175 1.00 0.00 C ATOM 1842 CD1 LEU B 69 8.800 -8.697 1.873 1.00 0.00 C ATOM 1843 CD2 LEU B 69 6.883 -7.572 2.951 1.00 0.00 C ATOM 0 H LEU B 69 8.034 -7.173 5.825 1.00 0.00 H new ATOM 0 HA LEU B 69 6.267 -9.271 4.897 1.00 0.00 H new ATOM 0 HB2 LEU B 69 9.282 -9.144 4.769 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.214 -10.167 3.827 1.00 0.00 H new ATOM 0 HG LEU B 69 8.916 -7.309 3.504 1.00 0.00 H new ATOM 0 HD11 LEU B 69 8.768 -7.930 1.100 1.00 0.00 H new ATOM 0 HD12 LEU B 69 9.829 -9.029 2.011 1.00 0.00 H new ATOM 0 HD13 LEU B 69 8.183 -9.543 1.571 1.00 0.00 H new ATOM 0 HD21 LEU B 69 6.912 -6.828 2.155 1.00 0.00 H new ATOM 0 HD22 LEU B 69 6.210 -8.381 2.667 1.00 0.00 H new ATOM 0 HD23 LEU B 69 6.524 -7.107 3.869 1.00 0.00 H new ATOM 1855 N HIS B 70 7.084 -11.287 6.315 1.00 0.00 N ATOM 1856 CA HIS B 70 7.299 -12.290 7.354 1.00 0.00 C ATOM 1857 C HIS B 70 8.721 -12.830 7.287 1.00 0.00 C ATOM 1858 O HIS B 70 9.168 -13.532 8.187 1.00 0.00 O ATOM 1859 CB HIS B 70 6.274 -13.434 7.277 1.00 0.00 C ATOM 1860 CG HIS B 70 5.847 -13.807 5.891 1.00 0.00 C ATOM 1861 ND1 HIS B 70 4.553 -13.714 5.432 1.00 0.00 N ATOM 1862 CD2 HIS B 70 6.570 -14.299 4.860 1.00 0.00 C ATOM 1863 CE1 HIS B 70 4.543 -14.146 4.167 1.00 0.00 C ATOM 1864 NE2 HIS B 70 5.740 -14.520 3.785 1.00 0.00 N ATOM 0 H HIS B 70 6.615 -11.629 5.476 1.00 0.00 H new ATOM 0 HA HIS B 70 7.155 -11.798 8.316 1.00 0.00 H new ATOM 0 HB2 HIS B 70 6.697 -14.315 7.760 1.00 0.00 H new ATOM 0 HB3 HIS B 70 5.391 -13.150 7.849 1.00 0.00 H new ATOM 0 HD1 HIS B 70 3.748 -13.377 5.961 1.00 0.00 H new ATOM 0 HD2 HIS B 70 7.633 -14.489 4.877 1.00 0.00 H new ATOM 0 HE1 HIS B 70 3.663 -14.182 3.541 1.00 0.00 H new ATOM 1872 N ALA B 71 9.432 -12.462 6.227 1.00 0.00 N ATOM 1873 CA ALA B 71 10.812 -12.889 6.037 1.00 0.00 C ATOM 1874 C ALA B 71 11.767 -12.016 6.848 1.00 0.00 C ATOM 1875 O ALA B 71 12.969 -12.269 6.894 1.00 0.00 O ATOM 1876 CB ALA B 71 11.176 -12.841 4.560 1.00 0.00 C ATOM 0 H ALA B 71 9.072 -11.865 5.482 1.00 0.00 H new ATOM 0 HA ALA B 71 10.907 -13.916 6.391 1.00 0.00 H new ATOM 0 HB1 ALA B 71 12.209 -13.162 4.429 1.00 0.00 H new ATOM 0 HB2 ALA B 71 10.516 -13.505 4.001 1.00 0.00 H new ATOM 0 HB3 ALA B 71 11.063 -11.822 4.190 1.00 0.00 H new ATOM 1882 N GLY B 72 11.222 -10.983 7.484 1.00 0.00 N ATOM 1883 CA GLY B 72 12.035 -10.087 8.286 1.00 0.00 C ATOM 1884 C GLY B 72 12.359 -8.795 7.565 1.00 0.00 C ATOM 1885 O GLY B 72 13.268 -8.069 7.959 1.00 0.00 O ATOM 0 H GLY B 72 10.229 -10.750 7.458 1.00 0.00 H new ATOM 0 HA2 GLY B 72 11.511 -9.860 9.214 1.00 0.00 H new ATOM 0 HA3 GLY B 72 12.963 -10.590 8.558 1.00 0.00 H new ATOM 1889 N ASP B 73 11.610 -8.508 6.511 1.00 0.00 N ATOM 1890 CA ASP B 73 11.818 -7.295 5.727 1.00 0.00 C ATOM 1891 C ASP B 73 10.701 -6.292 5.991 1.00 0.00 C ATOM 1892 O ASP B 73 9.567 -6.680 6.266 1.00 0.00 O ATOM 1893 CB ASP B 73 11.884 -7.636 4.232 1.00 0.00 C ATOM 1894 CG ASP B 73 11.860 -6.404 3.342 1.00 0.00 C ATOM 1895 OD1 ASP B 73 12.624 -5.456 3.617 1.00 0.00 O ATOM 1896 OD2 ASP B 73 11.076 -6.390 2.370 1.00 0.00 O ATOM 0 H ASP B 73 10.849 -9.100 6.176 1.00 0.00 H new ATOM 0 HA ASP B 73 12.765 -6.845 6.027 1.00 0.00 H new ATOM 0 HB2 ASP B 73 12.793 -8.203 4.034 1.00 0.00 H new ATOM 0 HB3 ASP B 73 11.044 -8.281 3.974 1.00 0.00 H new ATOM 1901 N THR B 74 11.028 -5.012 5.920 1.00 0.00 N ATOM 1902 CA THR B 74 10.061 -3.948 6.141 1.00 0.00 C ATOM 1903 C THR B 74 10.385 -2.764 5.235 1.00 0.00 C ATOM 1904 O THR B 74 11.530 -2.318 5.180 1.00 0.00 O ATOM 1905 CB THR B 74 10.055 -3.476 7.611 1.00 0.00 C ATOM 1906 OG1 THR B 74 11.397 -3.416 8.113 1.00 0.00 O ATOM 1907 CG2 THR B 74 9.224 -4.401 8.489 1.00 0.00 C ATOM 0 H THR B 74 11.969 -4.681 5.708 1.00 0.00 H new ATOM 0 HA THR B 74 9.073 -4.344 5.907 1.00 0.00 H new ATOM 0 HB THR B 74 9.606 -2.483 7.640 1.00 0.00 H new ATOM 0 HG1 THR B 74 11.384 -3.114 9.045 1.00 0.00 H new ATOM 0 HG21 THR B 74 9.241 -4.039 9.517 1.00 0.00 H new ATOM 0 HG22 THR B 74 8.196 -4.419 8.128 1.00 0.00 H new ATOM 0 HG23 THR B 74 9.639 -5.408 8.452 1.00 0.00 H new ATOM 1915 N THR B 75 9.386 -2.249 4.535 1.00 0.00 N ATOM 1916 CA THR B 75 9.606 -1.127 3.633 1.00 0.00 C ATOM 1917 C THR B 75 8.722 0.062 3.997 1.00 0.00 C ATOM 1918 O THR B 75 7.579 -0.115 4.395 1.00 0.00 O ATOM 1919 CB THR B 75 9.314 -1.552 2.190 1.00 0.00 C ATOM 1920 OG1 THR B 75 9.584 -2.949 2.048 1.00 0.00 O ATOM 1921 CG2 THR B 75 10.167 -0.765 1.206 1.00 0.00 C ATOM 0 H THR B 75 8.424 -2.585 4.572 1.00 0.00 H new ATOM 0 HA THR B 75 10.648 -0.823 3.728 1.00 0.00 H new ATOM 0 HB THR B 75 8.266 -1.349 1.972 1.00 0.00 H new ATOM 0 HG1 THR B 75 8.759 -3.419 1.805 1.00 0.00 H new ATOM 0 HG21 THR B 75 9.940 -1.086 0.190 1.00 0.00 H new ATOM 0 HG22 THR B 75 9.951 0.299 1.307 1.00 0.00 H new ATOM 0 HG23 THR B 75 11.222 -0.943 1.416 1.00 0.00 H new ATOM 1929 N ASN B 76 9.250 1.271 3.849 1.00 0.00 N ATOM 1930 CA ASN B 76 8.498 2.484 4.172 1.00 0.00 C ATOM 1931 C ASN B 76 8.225 3.298 2.913 1.00 0.00 C ATOM 1932 O ASN B 76 9.152 3.805 2.286 1.00 0.00 O ATOM 1933 CB ASN B 76 9.270 3.338 5.177 1.00 0.00 C ATOM 1934 CG ASN B 76 9.011 2.928 6.610 1.00 0.00 C ATOM 1935 OD1 ASN B 76 8.667 1.782 6.895 1.00 0.00 O ATOM 1936 ND2 ASN B 76 9.168 3.863 7.523 1.00 0.00 N ATOM 0 H ASN B 76 10.196 1.441 3.507 1.00 0.00 H new ATOM 0 HA ASN B 76 7.547 2.185 4.613 1.00 0.00 H new ATOM 0 HB2 ASN B 76 10.337 3.262 4.969 1.00 0.00 H new ATOM 0 HB3 ASN B 76 8.994 4.384 5.047 1.00 0.00 H new ATOM 0 HD21 ASN B 76 9.003 3.648 8.506 1.00 0.00 H new ATOM 0 HD22 ASN B 76 9.455 4.802 7.247 1.00 0.00 H new ATOM 1943 N PHE B 77 6.957 3.418 2.544 1.00 0.00 N ATOM 1944 CA PHE B 77 6.572 4.170 1.353 1.00 0.00 C ATOM 1945 C PHE B 77 5.744 5.401 1.720 1.00 0.00 C ATOM 1946 O PHE B 77 4.659 5.287 2.281 1.00 0.00 O ATOM 1947 CB PHE B 77 5.777 3.275 0.399 1.00 0.00 C ATOM 1948 CG PHE B 77 6.604 2.211 -0.267 1.00 0.00 C ATOM 1949 CD1 PHE B 77 7.801 2.532 -0.889 1.00 0.00 C ATOM 1950 CD2 PHE B 77 6.183 0.892 -0.275 1.00 0.00 C ATOM 1951 CE1 PHE B 77 8.562 1.557 -1.503 1.00 0.00 C ATOM 1952 CE2 PHE B 77 6.941 -0.087 -0.889 1.00 0.00 C ATOM 1953 CZ PHE B 77 8.132 0.247 -1.504 1.00 0.00 C ATOM 0 H PHE B 77 6.175 3.004 3.052 1.00 0.00 H new ATOM 0 HA PHE B 77 7.483 4.506 0.859 1.00 0.00 H new ATOM 0 HB2 PHE B 77 4.967 2.799 0.952 1.00 0.00 H new ATOM 0 HB3 PHE B 77 5.316 3.897 -0.368 1.00 0.00 H new ATOM 0 HD1 PHE B 77 8.142 3.557 -0.893 1.00 0.00 H new ATOM 0 HD2 PHE B 77 5.252 0.625 0.204 1.00 0.00 H new ATOM 0 HE1 PHE B 77 9.493 1.820 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE B 77 6.602 -1.113 -0.888 1.00 0.00 H new ATOM 0 HZ PHE B 77 8.725 -0.517 -1.985 1.00 0.00 H new ATOM 1963 N HIS B 78 6.271 6.572 1.410 1.00 0.00 N ATOM 1964 CA HIS B 78 5.601 7.838 1.688 1.00 0.00 C ATOM 1965 C HIS B 78 4.830 8.315 0.456 1.00 0.00 C ATOM 1966 O HIS B 78 5.397 8.467 -0.619 1.00 0.00 O ATOM 1967 CB HIS B 78 6.663 8.870 2.123 1.00 0.00 C ATOM 1968 CG HIS B 78 6.221 10.310 2.183 1.00 0.00 C ATOM 1969 ND1 HIS B 78 4.988 10.872 2.113 1.00 0.00 N flip ATOM 1970 CD2 HIS B 78 7.104 11.359 2.311 1.00 0.00 C flip ATOM 1971 CE1 HIS B 78 5.109 12.256 2.190 1.00 0.00 C flip ATOM 1972 NE2 HIS B 78 6.398 12.496 2.308 1.00 0.00 N flip ATOM 0 H HIS B 78 7.179 6.676 0.957 1.00 0.00 H new ATOM 0 HA HIS B 78 4.876 7.711 2.492 1.00 0.00 H new ATOM 0 HB2 HIS B 78 7.031 8.585 3.109 1.00 0.00 H new ATOM 0 HB3 HIS B 78 7.506 8.801 1.436 1.00 0.00 H new ATOM 0 HD2 HIS B 78 8.177 11.278 2.398 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.311 12.983 2.159 1.00 0.00 H new ATOM 0 HE2 HIS B 78 6.806 13.428 2.387 1.00 0.00 H new ATOM 1980 N PHE B 79 3.538 8.548 0.619 1.00 0.00 N ATOM 1981 CA PHE B 79 2.705 9.022 -0.476 1.00 0.00 C ATOM 1982 C PHE B 79 2.811 10.536 -0.576 1.00 0.00 C ATOM 1983 O PHE B 79 2.023 11.268 0.021 1.00 0.00 O ATOM 1984 CB PHE B 79 1.247 8.605 -0.275 1.00 0.00 C ATOM 1985 CG PHE B 79 1.037 7.121 -0.328 1.00 0.00 C ATOM 1986 CD1 PHE B 79 0.784 6.487 -1.532 1.00 0.00 C ATOM 1987 CD2 PHE B 79 1.095 6.361 0.826 1.00 0.00 C ATOM 1988 CE1 PHE B 79 0.595 5.121 -1.585 1.00 0.00 C ATOM 1989 CE2 PHE B 79 0.905 4.995 0.779 1.00 0.00 C ATOM 1990 CZ PHE B 79 0.655 4.373 -0.429 1.00 0.00 C ATOM 0 H PHE B 79 3.042 8.417 1.500 1.00 0.00 H new ATOM 0 HA PHE B 79 3.058 8.572 -1.404 1.00 0.00 H new ATOM 0 HB2 PHE B 79 0.900 8.979 0.688 1.00 0.00 H new ATOM 0 HB3 PHE B 79 0.633 9.079 -1.041 1.00 0.00 H new ATOM 0 HD1 PHE B 79 0.734 7.068 -2.441 1.00 0.00 H new ATOM 0 HD2 PHE B 79 1.291 6.841 1.773 1.00 0.00 H new ATOM 0 HE1 PHE B 79 0.400 4.639 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE B 79 0.952 4.412 1.687 1.00 0.00 H new ATOM 0 HZ PHE B 79 0.507 3.304 -0.467 1.00 0.00 H new ATOM 2000 N SER B 80 3.800 10.995 -1.321 1.00 0.00 N ATOM 2001 CA SER B 80 4.037 12.419 -1.492 1.00 0.00 C ATOM 2002 C SER B 80 3.360 12.946 -2.756 1.00 0.00 C ATOM 2003 O SER B 80 3.740 13.989 -3.285 1.00 0.00 O ATOM 2004 CB SER B 80 5.545 12.686 -1.541 1.00 0.00 C ATOM 2005 OG SER B 80 6.209 11.726 -2.347 1.00 0.00 O ATOM 0 H SER B 80 4.458 10.397 -1.822 1.00 0.00 H new ATOM 0 HA SER B 80 3.604 12.946 -0.642 1.00 0.00 H new ATOM 0 HB2 SER B 80 5.728 13.685 -1.936 1.00 0.00 H new ATOM 0 HB3 SER B 80 5.954 12.663 -0.531 1.00 0.00 H new ATOM 0 HG SER B 80 5.567 11.318 -2.966 1.00 0.00 H new ATOM 2011 N ASN B 81 2.360 12.222 -3.239 1.00 0.00 N ATOM 2012 CA ASN B 81 1.640 12.637 -4.432 1.00 0.00 C ATOM 2013 C ASN B 81 0.511 13.572 -4.037 1.00 0.00 C ATOM 2014 O ASN B 81 -0.541 13.139 -3.585 1.00 0.00 O ATOM 2015 CB ASN B 81 1.103 11.433 -5.207 1.00 0.00 C ATOM 2016 CG ASN B 81 0.550 11.821 -6.568 1.00 0.00 C ATOM 2017 OD1 ASN B 81 -0.266 11.107 -7.149 1.00 0.00 O ATOM 2018 ND2 ASN B 81 0.994 12.954 -7.096 1.00 0.00 N ATOM 0 H ASN B 81 2.031 11.350 -2.825 1.00 0.00 H new ATOM 0 HA ASN B 81 2.330 13.163 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.901 10.702 -5.337 1.00 0.00 H new ATOM 0 HB3 ASN B 81 0.320 10.949 -4.624 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.658 13.256 -8.011 1.00 0.00 H new ATOM 0 HD22 ASN B 81 1.671 13.523 -6.587 1.00 0.00 H new ATOM 2025 N GLU B 82 0.748 14.853 -4.224 1.00 0.00 N ATOM 2026 CA GLU B 82 -0.200 15.901 -3.862 1.00 0.00 C ATOM 2027 C GLU B 82 -1.605 15.692 -4.447 1.00 0.00 C ATOM 2028 O GLU B 82 -2.592 16.164 -3.879 1.00 0.00 O ATOM 2029 CB GLU B 82 0.357 17.268 -4.298 1.00 0.00 C ATOM 2030 CG GLU B 82 0.366 17.508 -5.811 1.00 0.00 C ATOM 2031 CD GLU B 82 1.063 16.412 -6.603 1.00 0.00 C ATOM 2032 OE1 GLU B 82 2.216 16.063 -6.268 1.00 0.00 O ATOM 2033 OE2 GLU B 82 0.445 15.874 -7.545 1.00 0.00 O ATOM 0 H GLU B 82 1.612 15.206 -4.636 1.00 0.00 H new ATOM 0 HA GLU B 82 -0.315 15.861 -2.779 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.233 18.052 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU B 82 1.376 17.365 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU B 82 -0.662 17.598 -6.161 1.00 0.00 H new ATOM 0 HG3 GLU B 82 0.857 18.459 -6.016 1.00 0.00 H new ATOM 2040 N SER B 83 -1.703 14.978 -5.557 1.00 0.00 N ATOM 2041 CA SER B 83 -2.987 14.761 -6.201 1.00 0.00 C ATOM 2042 C SER B 83 -3.821 13.651 -5.542 1.00 0.00 C ATOM 2043 O SER B 83 -5.025 13.829 -5.316 1.00 0.00 O ATOM 2044 CB SER B 83 -2.776 14.453 -7.685 1.00 0.00 C ATOM 2045 OG SER B 83 -1.423 14.121 -7.950 1.00 0.00 O ATOM 0 H SER B 83 -0.912 14.541 -6.029 1.00 0.00 H new ATOM 0 HA SER B 83 -3.557 15.683 -6.085 1.00 0.00 H new ATOM 0 HB2 SER B 83 -3.422 13.627 -7.984 1.00 0.00 H new ATOM 0 HB3 SER B 83 -3.066 15.317 -8.284 1.00 0.00 H new ATOM 0 HG SER B 83 -0.897 14.942 -8.043 1.00 0.00 H new ATOM 2051 N THR B 84 -3.207 12.518 -5.216 1.00 0.00 N ATOM 2052 CA THR B 84 -3.967 11.408 -4.643 1.00 0.00 C ATOM 2053 C THR B 84 -3.317 10.753 -3.415 1.00 0.00 C ATOM 2054 O THR B 84 -3.710 9.657 -3.052 1.00 0.00 O ATOM 2055 CB THR B 84 -4.195 10.327 -5.718 1.00 0.00 C ATOM 2056 OG1 THR B 84 -3.098 10.325 -6.640 1.00 0.00 O ATOM 2057 CG2 THR B 84 -5.493 10.565 -6.473 1.00 0.00 C ATOM 0 H THR B 84 -2.209 12.344 -5.334 1.00 0.00 H new ATOM 0 HA THR B 84 -4.906 11.843 -4.301 1.00 0.00 H new ATOM 0 HB THR B 84 -4.262 9.361 -5.219 1.00 0.00 H new ATOM 0 HG1 THR B 84 -2.267 10.131 -6.159 1.00 0.00 H new ATOM 0 HG21 THR B 84 -5.625 9.786 -7.224 1.00 0.00 H new ATOM 0 HG22 THR B 84 -6.330 10.542 -5.775 1.00 0.00 H new ATOM 0 HG23 THR B 84 -5.456 11.538 -6.962 1.00 0.00 H new ATOM 2065 N ALA B 85 -2.379 11.438 -2.766 1.00 0.00 N ATOM 2066 CA ALA B 85 -1.660 10.906 -1.588 1.00 0.00 C ATOM 2067 C ALA B 85 -2.536 10.077 -0.639 1.00 0.00 C ATOM 2068 O ALA B 85 -2.368 8.862 -0.525 1.00 0.00 O ATOM 2069 CB ALA B 85 -1.018 12.048 -0.816 1.00 0.00 C ATOM 0 H ALA B 85 -2.088 12.378 -3.034 1.00 0.00 H new ATOM 0 HA ALA B 85 -0.904 10.226 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -0.490 11.650 0.050 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -0.313 12.572 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -1.790 12.742 -0.483 1.00 0.00 H new ATOM 2075 N VAL B 86 -3.459 10.745 0.048 1.00 0.00 N ATOM 2076 CA VAL B 86 -4.349 10.082 1.003 1.00 0.00 C ATOM 2077 C VAL B 86 -5.169 8.972 0.345 1.00 0.00 C ATOM 2078 O VAL B 86 -5.249 7.853 0.853 1.00 0.00 O ATOM 2079 CB VAL B 86 -5.318 11.094 1.651 1.00 0.00 C ATOM 2080 CG1 VAL B 86 -6.024 10.476 2.847 1.00 0.00 C ATOM 2081 CG2 VAL B 86 -4.584 12.363 2.057 1.00 0.00 C ATOM 0 H VAL B 86 -3.612 11.750 -0.038 1.00 0.00 H new ATOM 0 HA VAL B 86 -3.708 9.641 1.767 1.00 0.00 H new ATOM 0 HB VAL B 86 -6.072 11.360 0.911 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -6.702 11.207 3.287 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -6.592 9.604 2.523 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -5.285 10.173 3.589 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -5.288 13.061 2.511 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -3.802 12.117 2.775 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -4.136 12.822 1.176 1.00 0.00 H new ATOM 2091 N LYS B 87 -5.751 9.294 -0.802 1.00 0.00 N ATOM 2092 CA LYS B 87 -6.588 8.354 -1.544 1.00 0.00 C ATOM 2093 C LYS B 87 -5.814 7.095 -1.928 1.00 0.00 C ATOM 2094 O LYS B 87 -6.301 5.979 -1.750 1.00 0.00 O ATOM 2095 CB LYS B 87 -7.135 9.034 -2.804 1.00 0.00 C ATOM 2096 CG LYS B 87 -7.732 10.412 -2.546 1.00 0.00 C ATOM 2097 CD LYS B 87 -7.499 11.347 -3.722 1.00 0.00 C ATOM 2098 CE LYS B 87 -7.944 12.769 -3.410 1.00 0.00 C ATOM 2099 NZ LYS B 87 -7.626 13.711 -4.522 1.00 0.00 N ATOM 0 H LYS B 87 -5.659 10.208 -1.245 1.00 0.00 H new ATOM 0 HA LYS B 87 -7.413 8.054 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.331 9.127 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.898 8.395 -3.249 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.802 10.318 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.289 10.839 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.441 11.346 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -8.042 10.979 -4.592 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -9.018 12.780 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.457 13.109 -2.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -8.020 14.649 -4.306 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.594 13.785 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -8.042 13.356 -5.407 1.00 0.00 H new ATOM 2113 N GLU B 88 -4.605 7.283 -2.440 1.00 0.00 N ATOM 2114 CA GLU B 88 -3.766 6.172 -2.858 1.00 0.00 C ATOM 2115 C GLU B 88 -3.367 5.310 -1.669 1.00 0.00 C ATOM 2116 O GLU B 88 -3.358 4.091 -1.771 1.00 0.00 O ATOM 2117 CB GLU B 88 -2.521 6.680 -3.595 1.00 0.00 C ATOM 2118 CG GLU B 88 -2.805 7.097 -5.031 1.00 0.00 C ATOM 2119 CD GLU B 88 -1.643 7.818 -5.689 1.00 0.00 C ATOM 2120 OE1 GLU B 88 -1.335 8.954 -5.279 1.00 0.00 O ATOM 2121 OE2 GLU B 88 -1.062 7.274 -6.653 1.00 0.00 O ATOM 0 H GLU B 88 -4.183 8.202 -2.576 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.346 5.555 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.106 7.529 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -1.761 5.898 -3.594 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -3.052 6.212 -5.617 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.681 7.745 -5.047 1.00 0.00 H new ATOM 2128 N ARG B 89 -3.072 5.940 -0.534 1.00 0.00 N ATOM 2129 CA ARG B 89 -2.674 5.199 0.663 1.00 0.00 C ATOM 2130 C ARG B 89 -3.710 4.149 1.036 1.00 0.00 C ATOM 2131 O ARG B 89 -3.391 2.969 1.170 1.00 0.00 O ATOM 2132 CB ARG B 89 -2.473 6.128 1.861 1.00 0.00 C ATOM 2133 CG ARG B 89 -2.168 5.370 3.148 1.00 0.00 C ATOM 2134 CD ARG B 89 -2.427 6.211 4.389 1.00 0.00 C ATOM 2135 NE ARG B 89 -3.842 6.544 4.557 1.00 0.00 N ATOM 2136 CZ ARG B 89 -4.277 7.653 5.152 1.00 0.00 C ATOM 2137 NH1 ARG B 89 -3.413 8.550 5.611 1.00 0.00 N ATOM 2138 NH2 ARG B 89 -5.576 7.863 5.291 1.00 0.00 N ATOM 0 H ARG B 89 -3.100 6.953 -0.417 1.00 0.00 H new ATOM 0 HA ARG B 89 -1.729 4.712 0.421 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -1.656 6.818 1.648 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -3.370 6.731 2.003 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -2.779 4.468 3.189 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -1.126 5.049 3.140 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -2.078 5.671 5.269 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -1.846 7.131 4.328 1.00 0.00 H new ATOM 0 HE ARG B 89 -4.536 5.888 4.197 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -2.411 8.391 5.509 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -3.751 9.398 6.066 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -6.244 7.175 4.942 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -5.909 8.712 5.747 1.00 0.00 H new ATOM 2152 N ASP B 90 -4.950 4.582 1.193 1.00 0.00 N ATOM 2153 CA ASP B 90 -6.021 3.678 1.581 1.00 0.00 C ATOM 2154 C ASP B 90 -6.414 2.721 0.467 1.00 0.00 C ATOM 2155 O ASP B 90 -6.833 1.598 0.744 1.00 0.00 O ATOM 2156 CB ASP B 90 -7.229 4.458 2.087 1.00 0.00 C ATOM 2157 CG ASP B 90 -7.150 4.669 3.584 1.00 0.00 C ATOM 2158 OD1 ASP B 90 -7.554 3.753 4.332 1.00 0.00 O ATOM 2159 OD2 ASP B 90 -6.648 5.728 4.014 1.00 0.00 O ATOM 0 H ASP B 90 -5.240 5.551 1.058 1.00 0.00 H new ATOM 0 HA ASP B 90 -5.637 3.063 2.395 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -7.281 5.423 1.582 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -8.144 3.919 1.840 1.00 0.00 H new ATOM 2164 N ALA B 91 -6.241 3.132 -0.783 1.00 0.00 N ATOM 2165 CA ALA B 91 -6.587 2.271 -1.904 1.00 0.00 C ATOM 2166 C ALA B 91 -5.557 1.166 -1.997 1.00 0.00 C ATOM 2167 O ALA B 91 -5.885 0.001 -2.219 1.00 0.00 O ATOM 2168 CB ALA B 91 -6.658 3.057 -3.200 1.00 0.00 C ATOM 0 H ALA B 91 -5.868 4.045 -1.043 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.575 1.841 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.918 2.386 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.417 3.835 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.690 3.516 -3.401 1.00 0.00 H new ATOM 2174 N VAL B 92 -4.305 1.553 -1.810 1.00 0.00 N ATOM 2175 CA VAL B 92 -3.202 0.617 -1.820 1.00 0.00 C ATOM 2176 C VAL B 92 -3.343 -0.312 -0.625 1.00 0.00 C ATOM 2177 O VAL B 92 -3.155 -1.518 -0.735 1.00 0.00 O ATOM 2178 CB VAL B 92 -1.846 1.353 -1.760 1.00 0.00 C ATOM 2179 CG1 VAL B 92 -0.717 0.397 -1.439 1.00 0.00 C ATOM 2180 CG2 VAL B 92 -1.571 2.067 -3.069 1.00 0.00 C ATOM 0 H VAL B 92 -4.030 2.522 -1.648 1.00 0.00 H new ATOM 0 HA VAL B 92 -3.228 0.045 -2.748 1.00 0.00 H new ATOM 0 HB VAL B 92 -1.903 2.091 -0.960 1.00 0.00 H new ATOM 0 HG11 VAL B 92 0.225 0.945 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -0.901 -0.071 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -0.661 -0.372 -2.210 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -0.611 2.580 -3.009 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -1.544 1.340 -3.881 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -2.360 2.794 -3.260 1.00 0.00 H new ATOM 2190 N LYS B 93 -3.700 0.279 0.512 1.00 0.00 N ATOM 2191 CA LYS B 93 -3.908 -0.459 1.749 1.00 0.00 C ATOM 2192 C LYS B 93 -4.916 -1.574 1.528 1.00 0.00 C ATOM 2193 O LYS B 93 -4.621 -2.747 1.746 1.00 0.00 O ATOM 2194 CB LYS B 93 -4.420 0.491 2.838 1.00 0.00 C ATOM 2195 CG LYS B 93 -4.541 -0.143 4.217 1.00 0.00 C ATOM 2196 CD LYS B 93 -5.934 -0.708 4.480 1.00 0.00 C ATOM 2197 CE LYS B 93 -6.912 0.364 4.945 1.00 0.00 C ATOM 2198 NZ LYS B 93 -7.438 1.180 3.817 1.00 0.00 N ATOM 0 H LYS B 93 -3.853 1.284 0.599 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.960 -0.895 2.065 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -3.748 1.347 2.902 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -5.396 0.874 2.540 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.805 -0.941 4.312 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -4.305 0.601 4.978 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -6.313 -1.173 3.570 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -5.870 -1.491 5.235 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -7.744 -0.109 5.467 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -6.416 1.018 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -8.398 1.509 4.045 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -6.818 2.001 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -7.466 0.601 2.953 1.00 0.00 H new ATOM 2212 N ASP B 94 -6.101 -1.190 1.091 1.00 0.00 N ATOM 2213 CA ASP B 94 -7.172 -2.141 0.832 1.00 0.00 C ATOM 2214 C ASP B 94 -6.740 -3.196 -0.173 1.00 0.00 C ATOM 2215 O ASP B 94 -6.806 -4.387 0.117 1.00 0.00 O ATOM 2216 CB ASP B 94 -8.424 -1.417 0.334 1.00 0.00 C ATOM 2217 CG ASP B 94 -9.350 -1.024 1.467 1.00 0.00 C ATOM 2218 OD1 ASP B 94 -8.995 -0.105 2.238 1.00 0.00 O ATOM 2219 OD2 ASP B 94 -10.427 -1.640 1.592 1.00 0.00 O ATOM 0 H ASP B 94 -6.350 -0.218 0.906 1.00 0.00 H new ATOM 0 HA ASP B 94 -7.406 -2.643 1.771 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -8.129 -0.524 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -8.960 -2.061 -0.364 1.00 0.00 H new ATOM 2224 N LEU B 95 -6.267 -2.757 -1.335 1.00 0.00 N ATOM 2225 CA LEU B 95 -5.821 -3.678 -2.377 1.00 0.00 C ATOM 2226 C LEU B 95 -4.779 -4.649 -1.829 1.00 0.00 C ATOM 2227 O LEU B 95 -4.878 -5.859 -2.031 1.00 0.00 O ATOM 2228 CB LEU B 95 -5.246 -2.904 -3.567 1.00 0.00 C ATOM 2229 CG LEU B 95 -5.144 -3.699 -4.872 1.00 0.00 C ATOM 2230 CD1 LEU B 95 -6.528 -4.084 -5.374 1.00 0.00 C ATOM 2231 CD2 LEU B 95 -4.398 -2.902 -5.928 1.00 0.00 C ATOM 0 H LEU B 95 -6.182 -1.770 -1.580 1.00 0.00 H new ATOM 0 HA LEU B 95 -6.684 -4.251 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.867 -2.025 -3.743 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.252 -2.544 -3.300 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.584 -4.612 -4.672 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.435 -4.648 -6.302 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.029 -4.698 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.113 -3.182 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.336 -3.484 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.929 -1.970 -6.123 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.392 -2.678 -5.572 1.00 0.00 H new ATOM 2243 N LEU B 96 -3.804 -4.116 -1.106 1.00 0.00 N ATOM 2244 CA LEU B 96 -2.744 -4.926 -0.526 1.00 0.00 C ATOM 2245 C LEU B 96 -3.285 -5.943 0.466 1.00 0.00 C ATOM 2246 O LEU B 96 -3.067 -7.137 0.302 1.00 0.00 O ATOM 2247 CB LEU B 96 -1.702 -4.050 0.168 1.00 0.00 C ATOM 2248 CG LEU B 96 -0.542 -3.596 -0.716 1.00 0.00 C ATOM 2249 CD1 LEU B 96 0.340 -2.613 0.034 1.00 0.00 C ATOM 2250 CD2 LEU B 96 0.276 -4.792 -1.175 1.00 0.00 C ATOM 0 H LEU B 96 -3.726 -3.119 -0.907 1.00 0.00 H new ATOM 0 HA LEU B 96 -2.275 -5.463 -1.351 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.201 -3.167 0.567 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -1.297 -4.599 1.018 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.952 -3.098 -1.595 1.00 0.00 H new ATOM 0 HD11 LEU B 96 1.162 -2.298 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.249 -1.742 0.322 1.00 0.00 H new ATOM 0 HD13 LEU B 96 0.741 -3.092 0.927 1.00 0.00 H new ATOM 0 HD21 LEU B 96 1.098 -4.451 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU B 96 0.676 -5.314 -0.306 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -0.359 -5.470 -1.745 1.00 0.00 H new ATOM 2262 N GLN B 97 -4.019 -5.484 1.475 1.00 0.00 N ATOM 2263 CA GLN B 97 -4.535 -6.389 2.496 1.00 0.00 C ATOM 2264 C GLN B 97 -5.562 -7.361 1.933 1.00 0.00 C ATOM 2265 O GLN B 97 -5.755 -8.432 2.485 1.00 0.00 O ATOM 2266 CB GLN B 97 -5.095 -5.625 3.704 1.00 0.00 C ATOM 2267 CG GLN B 97 -6.456 -4.986 3.507 1.00 0.00 C ATOM 2268 CD GLN B 97 -7.002 -4.401 4.799 1.00 0.00 C ATOM 2269 OE1 GLN B 97 -6.593 -4.967 5.931 1.00 0.00 O flip ATOM 2270 NE2 GLN B 97 -7.766 -3.442 4.782 1.00 0.00 N flip ATOM 0 H GLN B 97 -4.267 -4.504 1.607 1.00 0.00 H new ATOM 0 HA GLN B 97 -3.689 -6.981 2.845 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -5.156 -6.312 4.548 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -4.385 -4.845 3.978 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -6.382 -4.200 2.756 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -7.154 -5.730 3.122 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -8.056 -3.037 3.892 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -8.112 -3.050 5.658 1.00 0.00 H new ATOM 2279 N GLN B 98 -6.204 -7.000 0.833 1.00 0.00 N ATOM 2280 CA GLN B 98 -7.188 -7.878 0.217 1.00 0.00 C ATOM 2281 C GLN B 98 -6.505 -8.972 -0.595 1.00 0.00 C ATOM 2282 O GLN B 98 -6.957 -10.116 -0.614 1.00 0.00 O ATOM 2283 CB GLN B 98 -8.133 -7.086 -0.687 1.00 0.00 C ATOM 2284 CG GLN B 98 -9.223 -6.347 0.069 1.00 0.00 C ATOM 2285 CD GLN B 98 -9.971 -5.359 -0.805 1.00 0.00 C ATOM 2286 OE1 GLN B 98 -10.133 -5.572 -2.007 1.00 0.00 O ATOM 2287 NE2 GLN B 98 -10.425 -4.267 -0.209 1.00 0.00 N ATOM 0 H GLN B 98 -6.064 -6.112 0.351 1.00 0.00 H new ATOM 0 HA GLN B 98 -7.766 -8.339 1.018 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -7.552 -6.367 -1.264 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -8.596 -7.768 -1.400 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -9.928 -7.069 0.481 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -8.780 -5.818 0.913 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -10.269 -4.129 0.790 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -10.930 -3.564 -0.749 1.00 0.00 H new ATOM 2296 N LEU B 99 -5.414 -8.619 -1.260 1.00 0.00 N ATOM 2297 CA LEU B 99 -4.684 -9.569 -2.092 1.00 0.00 C ATOM 2298 C LEU B 99 -3.637 -10.349 -1.299 1.00 0.00 C ATOM 2299 O LEU B 99 -3.289 -11.472 -1.664 1.00 0.00 O ATOM 2300 CB LEU B 99 -4.018 -8.841 -3.254 1.00 0.00 C ATOM 2301 CG LEU B 99 -4.992 -8.180 -4.222 1.00 0.00 C ATOM 2302 CD1 LEU B 99 -4.276 -7.151 -5.084 1.00 0.00 C ATOM 2303 CD2 LEU B 99 -5.678 -9.225 -5.088 1.00 0.00 C ATOM 0 H LEU B 99 -5.013 -7.681 -1.240 1.00 0.00 H new ATOM 0 HA LEU B 99 -5.408 -10.289 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -3.348 -8.079 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -3.401 -9.550 -3.806 1.00 0.00 H new ATOM 0 HG LEU B 99 -5.756 -7.664 -3.641 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.989 -6.690 -5.768 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -3.838 -6.384 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.488 -7.641 -5.656 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.369 -8.733 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.929 -9.772 -5.660 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.228 -9.919 -4.453 1.00 0.00 H new ATOM 2315 N LEU B 100 -3.149 -9.751 -0.217 1.00 0.00 N ATOM 2316 CA LEU B 100 -2.126 -10.367 0.636 1.00 0.00 C ATOM 2317 C LEU B 100 -2.401 -11.836 0.968 1.00 0.00 C ATOM 2318 O LEU B 100 -1.586 -12.703 0.636 1.00 0.00 O ATOM 2319 CB LEU B 100 -1.934 -9.563 1.928 1.00 0.00 C ATOM 2320 CG LEU B 100 -0.863 -8.486 1.842 1.00 0.00 C ATOM 2321 CD1 LEU B 100 -0.719 -7.739 3.162 1.00 0.00 C ATOM 2322 CD2 LEU B 100 0.444 -9.129 1.443 1.00 0.00 C ATOM 0 H LEU B 100 -3.448 -8.828 0.097 1.00 0.00 H new ATOM 0 HA LEU B 100 -1.206 -10.348 0.051 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -2.882 -9.096 2.196 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -1.678 -10.250 2.735 1.00 0.00 H new ATOM 0 HG LEU B 100 -1.155 -7.752 1.091 1.00 0.00 H new ATOM 0 HD11 LEU B 100 0.054 -6.977 3.066 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -1.667 -7.265 3.417 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -0.441 -8.441 3.949 1.00 0.00 H new ATOM 0 HD21 LEU B 100 1.220 -8.366 1.378 1.00 0.00 H new ATOM 0 HD22 LEU B 100 0.727 -9.872 2.189 1.00 0.00 H new ATOM 0 HD23 LEU B 100 0.330 -9.614 0.473 1.00 0.00 H new ATOM 2334 N PRO B 101 -3.546 -12.155 1.600 1.00 0.00 N ATOM 2335 CA PRO B 101 -3.859 -13.531 1.973 1.00 0.00 C ATOM 2336 C PRO B 101 -4.311 -14.382 0.786 1.00 0.00 C ATOM 2337 O PRO B 101 -4.467 -15.595 0.906 1.00 0.00 O ATOM 2338 CB PRO B 101 -4.971 -13.372 3.004 1.00 0.00 C ATOM 2339 CG PRO B 101 -5.642 -12.083 2.673 1.00 0.00 C ATOM 2340 CD PRO B 101 -4.611 -11.217 2.007 1.00 0.00 C ATOM 0 HA PRO B 101 -2.986 -14.059 2.356 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -5.674 -14.204 2.954 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -4.568 -13.355 4.016 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -6.493 -12.248 2.013 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -6.026 -11.604 3.574 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -5.028 -10.693 1.147 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -4.231 -10.457 2.689 1.00 0.00 H new ATOM 2348 N LYS B 102 -4.502 -13.745 -0.364 1.00 0.00 N ATOM 2349 CA LYS B 102 -4.925 -14.454 -1.568 1.00 0.00 C ATOM 2350 C LYS B 102 -3.721 -15.062 -2.278 1.00 0.00 C ATOM 2351 O LYS B 102 -3.824 -16.109 -2.914 1.00 0.00 O ATOM 2352 CB LYS B 102 -5.667 -13.510 -2.517 1.00 0.00 C ATOM 2353 CG LYS B 102 -7.076 -13.164 -2.062 1.00 0.00 C ATOM 2354 CD LYS B 102 -7.721 -12.144 -2.985 1.00 0.00 C ATOM 2355 CE LYS B 102 -9.160 -11.853 -2.586 1.00 0.00 C ATOM 2356 NZ LYS B 102 -9.272 -11.411 -1.172 1.00 0.00 N ATOM 0 H LYS B 102 -4.371 -12.741 -0.489 1.00 0.00 H new ATOM 0 HA LYS B 102 -5.602 -15.255 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -5.093 -12.589 -2.621 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -5.717 -13.968 -3.505 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -7.684 -14.068 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -7.046 -12.770 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.144 -11.219 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.695 -12.514 -4.010 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -9.567 -11.082 -3.239 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.764 -12.748 -2.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -10.236 -11.064 -0.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -9.069 -12.212 -0.541 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -8.589 -10.647 -0.992 1.00 0.00 H new ATOM 2370 N PHE B 103 -2.579 -14.398 -2.163 1.00 0.00 N ATOM 2371 CA PHE B 103 -1.351 -14.870 -2.789 1.00 0.00 C ATOM 2372 C PHE B 103 -0.462 -15.556 -1.772 1.00 0.00 C ATOM 2373 O PHE B 103 0.683 -15.878 -2.064 1.00 0.00 O ATOM 2374 CB PHE B 103 -0.614 -13.714 -3.465 1.00 0.00 C ATOM 2375 CG PHE B 103 -1.385 -13.141 -4.621 1.00 0.00 C ATOM 2376 CD1 PHE B 103 -1.412 -13.798 -5.841 1.00 0.00 C ATOM 2377 CD2 PHE B 103 -2.101 -11.966 -4.483 1.00 0.00 C ATOM 2378 CE1 PHE B 103 -2.135 -13.289 -6.902 1.00 0.00 C ATOM 2379 CE2 PHE B 103 -2.829 -11.454 -5.539 1.00 0.00 C ATOM 2380 CZ PHE B 103 -2.846 -12.117 -6.751 1.00 0.00 C ATOM 0 H PHE B 103 -2.477 -13.528 -1.640 1.00 0.00 H new ATOM 0 HA PHE B 103 -1.614 -15.600 -3.555 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -0.426 -12.929 -2.733 1.00 0.00 H new ATOM 0 HB3 PHE B 103 0.357 -14.062 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -0.861 -14.719 -5.963 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -2.091 -11.443 -3.538 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.144 -13.808 -7.849 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.385 -10.536 -5.417 1.00 0.00 H new ATOM 0 HZ PHE B 103 -3.415 -11.718 -7.578 1.00 0.00 H new