USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 856 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: A 48 THR OG1 : rot 93:sc= -4.24! USER MOD Set 1.2: B 22 SER OG : rot 100:sc= -2.13! USER MOD Set 2.1: A 71 GLN : amide:sc= -0.594 K(o=-2.7,f=-8.4!) USER MOD Set 2.2: B 72 ASN :FLIP amide:sc= -2.07! C(o=-4!,f=-2.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 100:sc= -2.05! USER MOD Single : A 24 HIS : no HE2:sc= 0.546 K(o=0.55,f=-3.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -120:sc= -2.62! USER MOD Single : A 42 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.013) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -11.6! (180deg=-13.1!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -175:sc= -0.0149 (180deg=-0.0895) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 60 THR OG1 : rot 91:sc= 0.199 USER MOD Single : A 62 GLN : amide:sc= -0.373 K(o=-0.37,f=-3.5!) USER MOD Single : A 63 GLN : amide:sc=-0.00467 X(o=-0.0047,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -4.89! C(o=-4.9!,f=-8!) USER MOD Single : A 77 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.6!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 HIS : no HE2:sc= 0.494 K(o=0.49,f=-3.2!) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -153:sc= -2.57! USER MOD Single : B 42 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.011) USER MOD Single : B 46 LYS NZ :NH3+ 168:sc= -12! (180deg=-14!) USER MOD Single : B 48 THR OG1 : rot 88:sc= -4.1! USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 54 MET CE :methyl -179:sc= -0.0282 (180deg=-0.0339) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : B 60 THR OG1 : rot 91:sc= 0.194 USER MOD Single : B 62 GLN : amide:sc= -0.3 K(o=-0.3,f=-3.5!) USER MOD Single : B 63 GLN : amide:sc= -0.0025 X(o=-0.0025,f=0) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 GLN : amide:sc= -0.653 K(o=-0.65,f=-6.2!) USER MOD Single : B 77 GLN : amide:sc= -0.431 K(o=-0.43,f=-3.8!) USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=-0.0058) USER MOD ----------------------------------------------------------------- ATOM 313 N ILE A 19 125.322 4.021 2.367 1.00 1.72 N ATOM 314 CA ILE A 19 126.708 4.035 2.910 1.00 1.09 C ATOM 315 C ILE A 19 126.744 3.323 4.261 1.00 0.98 C ATOM 316 O ILE A 19 127.598 2.501 4.496 1.00 1.27 O ATOM 317 CB ILE A 19 127.117 5.503 3.049 1.00 0.98 C ATOM 318 CG1 ILE A 19 126.044 6.304 3.782 1.00 1.49 C ATOM 319 CG2 ILE A 19 127.332 6.108 1.663 1.00 1.01 C ATOM 320 CD1 ILE A 19 126.489 7.765 3.827 1.00 1.40 C ATOM 0 HA ILE A 19 127.400 3.512 2.250 1.00 1.09 H new ATOM 0 HB ILE A 19 128.041 5.546 3.626 1.00 0.98 H new ATOM 0 HG12 ILE A 19 125.086 6.214 3.270 1.00 1.49 H new ATOM 0 HG13 ILE A 19 125.904 5.918 4.792 1.00 1.49 H new ATOM 0 HG21 ILE A 19 127.623 7.154 1.764 1.00 1.01 H new ATOM 0 HG22 ILE A 19 128.119 5.560 1.145 1.00 1.01 H new ATOM 0 HG23 ILE A 19 126.407 6.043 1.090 1.00 1.01 H new ATOM 0 HD11 ILE A 19 125.737 8.359 4.347 1.00 1.40 H new ATOM 0 HD12 ILE A 19 127.439 7.840 4.355 1.00 1.40 H new ATOM 0 HD13 ILE A 19 126.608 8.140 2.811 1.00 1.40 H new ATOM 332 N LYS A 20 125.822 3.616 5.145 1.00 1.14 N ATOM 333 CA LYS A 20 125.823 2.924 6.472 1.00 1.56 C ATOM 334 C LYS A 20 126.151 1.445 6.279 1.00 1.34 C ATOM 335 O LYS A 20 127.128 0.946 6.801 1.00 1.27 O ATOM 336 CB LYS A 20 124.409 3.082 7.021 1.00 2.22 C ATOM 337 CG LYS A 20 124.121 4.559 7.285 1.00 2.75 C ATOM 338 CD LYS A 20 123.019 4.681 8.336 1.00 3.61 C ATOM 339 CE LYS A 20 123.428 3.919 9.598 1.00 4.17 C ATOM 340 NZ LYS A 20 122.597 4.509 10.682 1.00 4.71 N ATOM 0 H LYS A 20 125.076 4.297 5.008 1.00 1.14 H new ATOM 0 HA LYS A 20 126.565 3.343 7.152 1.00 1.56 H new ATOM 0 HB2 LYS A 20 123.686 2.682 6.310 1.00 2.22 H new ATOM 0 HB3 LYS A 20 124.300 2.510 7.942 1.00 2.22 H new ATOM 0 HG2 LYS A 20 125.025 5.061 7.630 1.00 2.75 H new ATOM 0 HG3 LYS A 20 123.815 5.052 6.362 1.00 2.75 H new ATOM 0 HD2 LYS A 20 122.843 5.730 8.573 1.00 3.61 H new ATOM 0 HD3 LYS A 20 122.083 4.282 7.945 1.00 3.61 H new ATOM 0 HE2 LYS A 20 123.241 2.850 9.493 1.00 4.17 H new ATOM 0 HE3 LYS A 20 124.492 4.038 9.805 1.00 4.17 H new ATOM 0 HZ1 LYS A 20 122.818 4.040 11.583 1.00 4.71 H new ATOM 0 HZ2 LYS A 20 122.801 5.526 10.762 1.00 4.71 H new ATOM 0 HZ3 LYS A 20 121.590 4.375 10.460 1.00 4.71 H new ATOM 354 N ASP A 21 125.355 0.744 5.516 1.00 1.44 N ATOM 355 CA ASP A 21 125.648 -0.695 5.278 1.00 1.43 C ATOM 356 C ASP A 21 127.140 -0.842 4.977 1.00 1.20 C ATOM 357 O ASP A 21 127.825 -1.685 5.529 1.00 1.26 O ATOM 358 CB ASP A 21 124.803 -1.078 4.061 1.00 1.76 C ATOM 359 CG ASP A 21 123.319 -0.949 4.412 1.00 2.21 C ATOM 360 OD1 ASP A 21 122.998 -1.044 5.584 1.00 2.74 O ATOM 361 OD2 ASP A 21 122.530 -0.757 3.502 1.00 2.76 O ATOM 0 H ASP A 21 124.521 1.104 5.051 1.00 1.44 H new ATOM 0 HA ASP A 21 125.416 -1.332 6.132 1.00 1.43 H new ATOM 0 HB2 ASP A 21 125.046 -0.432 3.218 1.00 1.76 H new ATOM 0 HB3 ASP A 21 125.028 -2.100 3.755 1.00 1.76 H new ATOM 366 N SER A 22 127.652 0.004 4.123 1.00 1.03 N ATOM 367 CA SER A 22 129.103 -0.053 3.800 1.00 0.91 C ATOM 368 C SER A 22 129.909 0.436 5.006 1.00 0.85 C ATOM 369 O SER A 22 130.855 -0.198 5.428 1.00 0.89 O ATOM 370 CB SER A 22 129.279 0.890 2.613 1.00 0.82 C ATOM 371 OG SER A 22 130.356 0.432 1.805 1.00 1.64 O ATOM 0 H SER A 22 127.127 0.731 3.637 1.00 1.03 H new ATOM 0 HA SER A 22 129.447 -1.060 3.565 1.00 0.91 H new ATOM 0 HB2 SER A 22 128.361 0.931 2.027 1.00 0.82 H new ATOM 0 HB3 SER A 22 129.478 1.902 2.964 1.00 0.82 H new ATOM 0 HG SER A 22 130.001 -0.056 1.033 1.00 1.64 H new ATOM 377 N PHE A 23 129.527 1.551 5.575 1.00 0.85 N ATOM 378 CA PHE A 23 130.252 2.067 6.768 1.00 0.87 C ATOM 379 C PHE A 23 130.520 0.903 7.718 1.00 0.89 C ATOM 380 O PHE A 23 131.645 0.498 7.920 1.00 0.90 O ATOM 381 CB PHE A 23 129.292 3.053 7.437 1.00 0.95 C ATOM 382 CG PHE A 23 129.314 4.422 6.778 1.00 1.01 C ATOM 383 CD1 PHE A 23 130.340 4.814 5.900 1.00 1.67 C ATOM 384 CD2 PHE A 23 128.286 5.323 7.078 1.00 1.61 C ATOM 385 CE1 PHE A 23 130.313 6.096 5.336 1.00 1.93 C ATOM 386 CE2 PHE A 23 128.271 6.597 6.512 1.00 1.84 C ATOM 387 CZ PHE A 23 129.282 6.983 5.642 1.00 1.66 C ATOM 0 H PHE A 23 128.743 2.124 5.262 1.00 0.85 H new ATOM 0 HA PHE A 23 131.200 2.537 6.507 1.00 0.87 H new ATOM 0 HB2 PHE A 23 128.279 2.651 7.400 1.00 0.95 H new ATOM 0 HB3 PHE A 23 129.556 3.155 8.490 1.00 0.95 H new ATOM 0 HD1 PHE A 23 131.143 4.132 5.662 1.00 1.67 H new ATOM 0 HD2 PHE A 23 127.497 5.029 7.754 1.00 1.61 H new ATOM 0 HE1 PHE A 23 131.097 6.400 4.659 1.00 1.93 H new ATOM 0 HE2 PHE A 23 127.473 7.284 6.750 1.00 1.84 H new ATOM 0 HZ PHE A 23 129.270 7.970 5.203 1.00 1.66 H new ATOM 397 N HIS A 24 129.480 0.357 8.297 1.00 0.97 N ATOM 398 CA HIS A 24 129.658 -0.791 9.232 1.00 1.05 C ATOM 399 C HIS A 24 130.717 -1.749 8.686 1.00 0.96 C ATOM 400 O HIS A 24 131.682 -2.065 9.353 1.00 0.98 O ATOM 401 CB HIS A 24 128.294 -1.475 9.290 1.00 1.21 C ATOM 402 CG HIS A 24 127.349 -0.638 10.107 1.00 1.53 C ATOM 403 ND1 HIS A 24 126.521 0.312 9.533 1.00 1.98 N ATOM 404 CD2 HIS A 24 127.093 -0.595 11.455 1.00 2.05 C ATOM 405 CE1 HIS A 24 125.812 0.883 10.523 1.00 2.27 C ATOM 406 NE2 HIS A 24 126.122 0.367 11.716 1.00 2.31 N ATOM 0 H HIS A 24 128.515 0.659 8.161 1.00 0.97 H new ATOM 0 HA HIS A 24 129.992 -0.473 10.220 1.00 1.05 H new ATOM 0 HB2 HIS A 24 127.900 -1.610 8.283 1.00 1.21 H new ATOM 0 HB3 HIS A 24 128.391 -2.468 9.730 1.00 1.21 H new ATOM 0 HD1 HIS A 24 126.460 0.538 8.540 1.00 1.98 H new ATOM 0 HD2 HIS A 24 127.572 -1.214 12.199 1.00 2.05 H new ATOM 0 HE1 HIS A 24 125.081 1.664 10.372 1.00 2.27 H new ATOM 414 N SER A 25 130.557 -2.202 7.470 1.00 0.96 N ATOM 415 CA SER A 25 131.576 -3.124 6.892 1.00 0.97 C ATOM 416 C SER A 25 132.924 -2.403 6.813 1.00 0.91 C ATOM 417 O SER A 25 133.966 -2.979 7.053 1.00 0.96 O ATOM 418 CB SER A 25 131.064 -3.466 5.494 1.00 1.11 C ATOM 419 OG SER A 25 130.910 -4.876 5.384 1.00 1.74 O ATOM 0 H SER A 25 129.773 -1.976 6.858 1.00 0.96 H new ATOM 0 HA SER A 25 131.719 -4.022 7.493 1.00 0.97 H new ATOM 0 HB2 SER A 25 130.111 -2.969 5.311 1.00 1.11 H new ATOM 0 HB3 SER A 25 131.763 -3.104 4.739 1.00 1.11 H new ATOM 0 HG SER A 25 130.580 -5.100 4.489 1.00 1.74 H new ATOM 425 N LEU A 26 132.902 -1.139 6.487 1.00 0.89 N ATOM 426 CA LEU A 26 134.170 -0.360 6.399 1.00 0.96 C ATOM 427 C LEU A 26 134.753 -0.170 7.803 1.00 0.94 C ATOM 428 O LEU A 26 135.913 -0.460 8.060 1.00 1.07 O ATOM 429 CB LEU A 26 133.751 0.982 5.797 1.00 1.05 C ATOM 430 CG LEU A 26 134.237 1.069 4.351 1.00 1.30 C ATOM 431 CD1 LEU A 26 133.075 1.490 3.451 1.00 1.74 C ATOM 432 CD2 LEU A 26 135.358 2.106 4.250 1.00 1.37 C ATOM 0 H LEU A 26 132.056 -0.610 6.277 1.00 0.89 H new ATOM 0 HA LEU A 26 134.936 -0.853 5.800 1.00 0.96 H new ATOM 0 HB2 LEU A 26 132.667 1.086 5.834 1.00 1.05 H new ATOM 0 HB3 LEU A 26 134.170 1.801 6.382 1.00 1.05 H new ATOM 0 HG LEU A 26 134.612 0.096 4.034 1.00 1.30 H new ATOM 0 HD11 LEU A 26 133.419 1.553 2.419 1.00 1.74 H new ATOM 0 HD12 LEU A 26 132.274 0.754 3.523 1.00 1.74 H new ATOM 0 HD13 LEU A 26 132.702 2.464 3.769 1.00 1.74 H new ATOM 0 HD21 LEU A 26 135.705 2.168 3.218 1.00 1.37 H new ATOM 0 HD22 LEU A 26 134.983 3.079 4.566 1.00 1.37 H new ATOM 0 HD23 LEU A 26 136.186 1.810 4.894 1.00 1.37 H new ATOM 444 N ARG A 27 133.953 0.303 8.720 1.00 0.86 N ATOM 445 CA ARG A 27 134.447 0.492 10.108 1.00 0.94 C ATOM 446 C ARG A 27 135.114 -0.803 10.566 1.00 0.93 C ATOM 447 O ARG A 27 136.117 -0.795 11.252 1.00 1.10 O ATOM 448 CB ARG A 27 133.193 0.780 10.934 1.00 0.98 C ATOM 449 CG ARG A 27 133.524 1.778 12.046 1.00 1.26 C ATOM 450 CD ARG A 27 132.371 1.815 13.052 1.00 1.39 C ATOM 451 NE ARG A 27 132.575 3.070 13.827 1.00 1.64 N ATOM 452 CZ ARG A 27 131.559 3.650 14.407 1.00 1.63 C ATOM 453 NH1 ARG A 27 130.998 3.096 15.447 1.00 2.26 N ATOM 454 NH2 ARG A 27 131.105 4.782 13.946 1.00 1.82 N ATOM 0 H ARG A 27 132.980 0.566 8.565 1.00 0.86 H new ATOM 0 HA ARG A 27 135.178 1.295 10.204 1.00 0.94 H new ATOM 0 HB2 ARG A 27 132.408 1.182 10.293 1.00 0.98 H new ATOM 0 HB3 ARG A 27 132.810 -0.145 11.365 1.00 0.98 H new ATOM 0 HG2 ARG A 27 134.449 1.490 12.546 1.00 1.26 H new ATOM 0 HG3 ARG A 27 133.686 2.770 11.624 1.00 1.26 H new ATOM 0 HD2 ARG A 27 131.406 1.816 12.546 1.00 1.39 H new ATOM 0 HD3 ARG A 27 132.388 0.942 13.704 1.00 1.39 H new ATOM 0 HE ARG A 27 133.507 3.476 13.905 1.00 1.64 H new ATOM 0 HH11 ARG A 27 131.353 2.210 15.807 1.00 2.26 H new ATOM 0 HH12 ARG A 27 130.204 3.549 15.900 1.00 2.26 H new ATOM 0 HH21 ARG A 27 131.543 5.214 13.133 1.00 1.82 H new ATOM 0 HH22 ARG A 27 130.311 5.235 14.399 1.00 1.82 H new ATOM 468 N ASP A 28 134.566 -1.920 10.164 1.00 0.89 N ATOM 469 CA ASP A 28 135.166 -3.228 10.542 1.00 0.93 C ATOM 470 C ASP A 28 136.522 -3.359 9.853 1.00 0.90 C ATOM 471 O ASP A 28 137.372 -4.126 10.258 1.00 1.02 O ATOM 472 CB ASP A 28 134.187 -4.282 10.020 1.00 1.02 C ATOM 473 CG ASP A 28 133.121 -4.564 11.081 1.00 1.53 C ATOM 474 OD1 ASP A 28 133.478 -5.072 12.131 1.00 2.29 O ATOM 475 OD2 ASP A 28 131.965 -4.269 10.824 1.00 2.00 O ATOM 0 H ASP A 28 133.726 -1.980 9.588 1.00 0.89 H new ATOM 0 HA ASP A 28 135.325 -3.335 11.615 1.00 0.93 H new ATOM 0 HB2 ASP A 28 133.716 -3.932 9.101 1.00 1.02 H new ATOM 0 HB3 ASP A 28 134.722 -5.200 9.775 1.00 1.02 H new ATOM 480 N SER A 29 136.729 -2.592 8.818 1.00 0.83 N ATOM 481 CA SER A 29 138.027 -2.638 8.100 1.00 0.86 C ATOM 482 C SER A 29 139.129 -2.170 9.045 1.00 0.88 C ATOM 483 O SER A 29 140.033 -2.914 9.370 1.00 0.94 O ATOM 484 CB SER A 29 137.878 -1.672 6.921 1.00 0.90 C ATOM 485 OG SER A 29 136.667 -1.946 6.221 1.00 1.44 O ATOM 0 H SER A 29 136.049 -1.933 8.439 1.00 0.83 H new ATOM 0 HA SER A 29 138.285 -3.639 7.755 1.00 0.86 H new ATOM 0 HB2 SER A 29 137.876 -0.643 7.280 1.00 0.90 H new ATOM 0 HB3 SER A 29 138.729 -1.773 6.247 1.00 0.90 H new ATOM 0 HG SER A 29 136.872 -2.181 5.292 1.00 1.44 H new ATOM 491 N VAL A 30 139.062 -0.946 9.509 1.00 0.87 N ATOM 492 CA VAL A 30 140.116 -0.470 10.444 1.00 0.94 C ATOM 493 C VAL A 30 139.527 -0.316 11.843 1.00 1.03 C ATOM 494 O VAL A 30 138.836 0.643 12.123 1.00 1.09 O ATOM 495 CB VAL A 30 140.554 0.877 9.882 1.00 0.92 C ATOM 496 CG1 VAL A 30 141.851 1.316 10.559 1.00 1.30 C ATOM 497 CG2 VAL A 30 140.783 0.736 8.378 1.00 0.94 C ATOM 0 H VAL A 30 138.334 -0.269 9.283 1.00 0.87 H new ATOM 0 HA VAL A 30 140.955 -1.161 10.528 1.00 0.94 H new ATOM 0 HB VAL A 30 139.782 1.624 10.069 1.00 0.92 H new ATOM 0 HG11 VAL A 30 142.164 2.280 10.156 1.00 1.30 H new ATOM 0 HG12 VAL A 30 141.688 1.407 11.633 1.00 1.30 H new ATOM 0 HG13 VAL A 30 142.628 0.575 10.371 1.00 1.30 H new ATOM 0 HG21 VAL A 30 141.097 1.695 7.966 1.00 0.94 H new ATOM 0 HG22 VAL A 30 141.558 -0.008 8.196 1.00 0.94 H new ATOM 0 HG23 VAL A 30 139.857 0.420 7.897 1.00 0.94 H new ATOM 667 N GLN A 42 133.642 8.182 9.342 1.00 1.30 N ATOM 668 CA GLN A 42 135.096 8.192 9.680 1.00 1.16 C ATOM 669 C GLN A 42 135.880 7.176 8.842 1.00 1.10 C ATOM 670 O GLN A 42 137.095 7.264 8.712 1.00 1.37 O ATOM 671 CB GLN A 42 135.177 7.836 11.169 1.00 1.29 C ATOM 672 CG GLN A 42 134.138 8.632 11.971 1.00 2.01 C ATOM 673 CD GLN A 42 134.354 8.376 13.463 1.00 2.19 C ATOM 674 OE1 GLN A 42 133.419 8.095 14.186 1.00 2.84 O ATOM 675 NE2 GLN A 42 135.561 8.458 13.955 1.00 2.21 N ATOM 0 HA GLN A 42 135.538 9.165 9.466 1.00 1.16 H new ATOM 0 HB2 GLN A 42 135.007 6.768 11.303 1.00 1.29 H new ATOM 0 HB3 GLN A 42 136.177 8.050 11.546 1.00 1.29 H new ATOM 0 HG2 GLN A 42 134.231 9.696 11.755 1.00 2.01 H new ATOM 0 HG3 GLN A 42 133.130 8.335 11.680 1.00 2.01 H new ATOM 0 HE21 GLN A 42 136.345 8.694 13.346 1.00 2.21 H new ATOM 0 HE22 GLN A 42 135.720 8.286 14.948 1.00 2.21 H new ATOM 684 N ILE A 43 135.217 6.220 8.255 1.00 0.94 N ATOM 685 CA ILE A 43 135.964 5.231 7.440 1.00 1.02 C ATOM 686 C ILE A 43 136.280 5.850 6.083 1.00 0.95 C ATOM 687 O ILE A 43 137.190 5.433 5.405 1.00 1.01 O ATOM 688 CB ILE A 43 135.083 3.976 7.308 1.00 1.18 C ATOM 689 CG1 ILE A 43 134.049 3.900 8.442 1.00 2.22 C ATOM 690 CG2 ILE A 43 135.982 2.744 7.401 1.00 1.33 C ATOM 691 CD1 ILE A 43 132.711 4.453 7.954 1.00 2.95 C ATOM 0 H ILE A 43 134.207 6.083 8.304 1.00 0.94 H new ATOM 0 HA ILE A 43 136.910 4.951 7.904 1.00 1.02 H new ATOM 0 HB ILE A 43 134.557 4.019 6.354 1.00 1.18 H new ATOM 0 HG12 ILE A 43 133.929 2.867 8.770 1.00 2.22 H new ATOM 0 HG13 ILE A 43 134.397 4.470 9.304 1.00 2.22 H new ATOM 0 HG21 ILE A 43 135.375 1.843 7.310 1.00 1.33 H new ATOM 0 HG22 ILE A 43 136.718 2.769 6.597 1.00 1.33 H new ATOM 0 HG23 ILE A 43 136.495 2.740 8.363 1.00 1.33 H new ATOM 0 HD11 ILE A 43 131.979 4.398 8.760 1.00 2.95 H new ATOM 0 HD12 ILE A 43 132.836 5.492 7.648 1.00 2.95 H new ATOM 0 HD13 ILE A 43 132.362 3.864 7.106 1.00 2.95 H new ATOM 703 N LEU A 44 135.558 6.868 5.693 1.00 0.95 N ATOM 704 CA LEU A 44 135.869 7.524 4.392 1.00 1.07 C ATOM 705 C LEU A 44 137.209 8.237 4.514 1.00 1.01 C ATOM 706 O LEU A 44 138.083 8.097 3.681 1.00 0.96 O ATOM 707 CB LEU A 44 134.744 8.528 4.160 1.00 1.43 C ATOM 708 CG LEU A 44 133.552 7.812 3.531 1.00 0.94 C ATOM 709 CD1 LEU A 44 133.297 6.504 4.267 1.00 1.42 C ATOM 710 CD2 LEU A 44 132.313 8.687 3.652 1.00 1.24 C ATOM 0 H LEU A 44 134.777 7.268 6.212 1.00 0.95 H new ATOM 0 HA LEU A 44 135.937 6.817 3.566 1.00 1.07 H new ATOM 0 HB2 LEU A 44 134.450 8.987 5.104 1.00 1.43 H new ATOM 0 HB3 LEU A 44 135.086 9.331 3.507 1.00 1.43 H new ATOM 0 HG LEU A 44 133.768 7.613 2.481 1.00 0.94 H new ATOM 0 HD11 LEU A 44 132.446 5.993 3.817 1.00 1.42 H new ATOM 0 HD12 LEU A 44 134.180 5.869 4.196 1.00 1.42 H new ATOM 0 HD13 LEU A 44 133.083 6.712 5.315 1.00 1.42 H new ATOM 0 HD21 LEU A 44 131.461 8.176 3.203 1.00 1.24 H new ATOM 0 HD22 LEU A 44 132.106 8.881 4.704 1.00 1.24 H new ATOM 0 HD23 LEU A 44 132.483 9.632 3.136 1.00 1.24 H new ATOM 722 N ASP A 45 137.387 8.982 5.569 1.00 1.09 N ATOM 723 CA ASP A 45 138.682 9.680 5.767 1.00 1.15 C ATOM 724 C ASP A 45 139.809 8.659 5.641 1.00 1.00 C ATOM 725 O ASP A 45 140.766 8.859 4.917 1.00 0.93 O ATOM 726 CB ASP A 45 138.610 10.243 7.184 1.00 1.37 C ATOM 727 CG ASP A 45 138.685 11.770 7.131 1.00 1.59 C ATOM 728 OD1 ASP A 45 139.586 12.276 6.484 1.00 2.29 O ATOM 729 OD2 ASP A 45 137.839 12.406 7.737 1.00 1.77 O ATOM 0 H ASP A 45 136.692 9.136 6.300 1.00 1.09 H new ATOM 0 HA ASP A 45 138.867 10.469 5.038 1.00 1.15 H new ATOM 0 HB2 ASP A 45 137.683 9.930 7.664 1.00 1.37 H new ATOM 0 HB3 ASP A 45 139.429 9.849 7.785 1.00 1.37 H new ATOM 734 N LYS A 46 139.691 7.549 6.323 1.00 1.02 N ATOM 735 CA LYS A 46 140.751 6.507 6.214 1.00 0.96 C ATOM 736 C LYS A 46 140.616 5.777 4.873 1.00 0.84 C ATOM 737 O LYS A 46 141.592 5.476 4.214 1.00 0.89 O ATOM 738 CB LYS A 46 140.491 5.549 7.375 1.00 1.02 C ATOM 739 CG LYS A 46 141.279 4.252 7.159 1.00 1.54 C ATOM 740 CD LYS A 46 140.403 3.226 6.433 1.00 1.67 C ATOM 741 CE LYS A 46 139.166 2.919 7.276 1.00 2.59 C ATOM 742 NZ LYS A 46 138.519 1.764 6.595 1.00 2.66 N ATOM 0 H LYS A 46 138.914 7.322 6.944 1.00 1.02 H new ATOM 0 HA LYS A 46 141.756 6.926 6.257 1.00 0.96 H new ATOM 0 HB2 LYS A 46 140.787 6.013 8.316 1.00 1.02 H new ATOM 0 HB3 LYS A 46 139.426 5.331 7.448 1.00 1.02 H new ATOM 0 HG2 LYS A 46 142.177 4.454 6.575 1.00 1.54 H new ATOM 0 HG3 LYS A 46 141.606 3.851 8.118 1.00 1.54 H new ATOM 0 HD2 LYS A 46 140.104 3.613 5.459 1.00 1.67 H new ATOM 0 HD3 LYS A 46 140.969 2.312 6.253 1.00 1.67 H new ATOM 0 HE2 LYS A 46 139.438 2.672 8.302 1.00 2.59 H new ATOM 0 HE3 LYS A 46 138.496 3.777 7.322 1.00 2.59 H new ATOM 0 HZ1 LYS A 46 137.845 1.311 7.245 1.00 2.66 H new ATOM 0 HZ2 LYS A 46 138.014 2.098 5.749 1.00 2.66 H new ATOM 0 HZ3 LYS A 46 139.246 1.075 6.314 1.00 2.66 H new ATOM 756 N ALA A 47 139.405 5.494 4.469 1.00 0.73 N ATOM 757 CA ALA A 47 139.188 4.786 3.172 1.00 0.69 C ATOM 758 C ALA A 47 139.977 5.489 2.067 1.00 0.70 C ATOM 759 O ALA A 47 140.685 4.867 1.299 1.00 0.70 O ATOM 760 CB ALA A 47 137.675 4.880 2.903 1.00 0.69 C ATOM 0 H ALA A 47 138.554 5.723 4.983 1.00 0.73 H new ATOM 0 HA ALA A 47 139.523 3.749 3.202 1.00 0.69 H new ATOM 0 HB1 ALA A 47 137.441 4.380 1.963 1.00 0.69 H new ATOM 0 HB2 ALA A 47 137.130 4.399 3.716 1.00 0.69 H new ATOM 0 HB3 ALA A 47 137.381 5.928 2.839 1.00 0.69 H new ATOM 766 N THR A 48 139.862 6.785 1.986 1.00 0.83 N ATOM 767 CA THR A 48 140.605 7.540 0.936 1.00 0.92 C ATOM 768 C THR A 48 142.112 7.432 1.178 1.00 0.83 C ATOM 769 O THR A 48 142.883 7.208 0.266 1.00 0.79 O ATOM 770 CB THR A 48 140.147 8.991 1.084 1.00 1.17 C ATOM 771 OG1 THR A 48 138.850 9.021 1.664 1.00 1.76 O ATOM 772 CG2 THR A 48 140.112 9.658 -0.292 1.00 1.36 C ATOM 0 H THR A 48 139.284 7.356 2.603 1.00 0.83 H new ATOM 0 HA THR A 48 140.410 7.152 -0.064 1.00 0.92 H new ATOM 0 HB THR A 48 140.843 9.529 1.728 1.00 1.17 H new ATOM 0 HG1 THR A 48 138.929 9.106 2.637 1.00 1.76 H new ATOM 0 HG21 THR A 48 139.785 10.693 -0.187 1.00 1.36 H new ATOM 0 HG22 THR A 48 141.109 9.635 -0.733 1.00 1.36 H new ATOM 0 HG23 THR A 48 139.417 9.122 -0.938 1.00 1.36 H new ATOM 780 N GLU A 49 142.538 7.591 2.402 1.00 0.88 N ATOM 781 CA GLU A 49 143.996 7.498 2.699 1.00 0.90 C ATOM 782 C GLU A 49 144.516 6.101 2.353 1.00 0.77 C ATOM 783 O GLU A 49 145.429 5.947 1.567 1.00 0.83 O ATOM 784 CB GLU A 49 144.111 7.764 4.200 1.00 1.04 C ATOM 785 CG GLU A 49 144.031 9.271 4.457 1.00 1.34 C ATOM 786 CD GLU A 49 145.329 9.938 3.997 1.00 1.68 C ATOM 787 OE1 GLU A 49 146.219 9.224 3.565 1.00 2.01 O ATOM 788 OE2 GLU A 49 145.410 11.153 4.084 1.00 2.26 O ATOM 0 H GLU A 49 141.941 7.781 3.207 1.00 0.88 H new ATOM 0 HA GLU A 49 144.585 8.206 2.116 1.00 0.90 H new ATOM 0 HB2 GLU A 49 143.312 7.250 4.734 1.00 1.04 H new ATOM 0 HB3 GLU A 49 145.053 7.369 4.579 1.00 1.04 H new ATOM 0 HG2 GLU A 49 143.182 9.697 3.923 1.00 1.34 H new ATOM 0 HG3 GLU A 49 143.868 9.461 5.518 1.00 1.34 H new ATOM 795 N TYR A 50 143.940 5.079 2.927 1.00 0.67 N ATOM 796 CA TYR A 50 144.406 3.698 2.615 1.00 0.64 C ATOM 797 C TYR A 50 144.424 3.486 1.100 1.00 0.62 C ATOM 798 O TYR A 50 145.464 3.295 0.501 1.00 0.64 O ATOM 799 CB TYR A 50 143.383 2.771 3.274 1.00 0.65 C ATOM 800 CG TYR A 50 143.838 2.423 4.672 1.00 0.93 C ATOM 801 CD1 TYR A 50 144.671 3.300 5.379 1.00 1.38 C ATOM 802 CD2 TYR A 50 143.424 1.224 5.262 1.00 1.72 C ATOM 803 CE1 TYR A 50 145.092 2.974 6.674 1.00 1.72 C ATOM 804 CE2 TYR A 50 143.845 0.898 6.557 1.00 2.07 C ATOM 805 CZ TYR A 50 144.677 1.774 7.264 1.00 1.79 C ATOM 806 OH TYR A 50 145.091 1.452 8.540 1.00 2.26 O ATOM 0 H TYR A 50 143.171 5.140 3.595 1.00 0.67 H new ATOM 0 HA TYR A 50 145.416 3.509 2.980 1.00 0.64 H new ATOM 0 HB2 TYR A 50 142.408 3.256 3.309 1.00 0.65 H new ATOM 0 HB3 TYR A 50 143.266 1.863 2.682 1.00 0.65 H new ATOM 0 HD1 TYR A 50 144.988 4.227 4.925 1.00 1.38 H new ATOM 0 HD2 TYR A 50 142.779 0.549 4.718 1.00 1.72 H new ATOM 0 HE1 TYR A 50 145.737 3.648 7.218 1.00 1.72 H new ATOM 0 HE2 TYR A 50 143.528 -0.029 7.010 1.00 2.07 H new ATOM 0 HH TYR A 50 144.712 0.586 8.798 1.00 2.26 H new ATOM 816 N ILE A 51 143.278 3.521 0.475 1.00 0.65 N ATOM 817 CA ILE A 51 143.224 3.324 -1.002 1.00 0.67 C ATOM 818 C ILE A 51 144.370 4.078 -1.684 1.00 0.66 C ATOM 819 O ILE A 51 145.000 3.575 -2.591 1.00 0.65 O ATOM 820 CB ILE A 51 141.871 3.895 -1.428 1.00 0.76 C ATOM 821 CG1 ILE A 51 140.757 2.954 -0.959 1.00 0.88 C ATOM 822 CG2 ILE A 51 141.826 4.021 -2.952 1.00 0.82 C ATOM 823 CD1 ILE A 51 139.392 3.584 -1.247 1.00 0.73 C ATOM 0 H ILE A 51 142.376 3.678 0.924 1.00 0.65 H new ATOM 0 HA ILE A 51 143.330 2.276 -1.282 1.00 0.67 H new ATOM 0 HB ILE A 51 141.732 4.879 -0.981 1.00 0.76 H new ATOM 0 HG12 ILE A 51 140.840 1.994 -1.469 1.00 0.88 H new ATOM 0 HG13 ILE A 51 140.859 2.758 0.108 1.00 0.88 H new ATOM 0 HG21 ILE A 51 140.861 4.428 -3.255 1.00 0.82 H new ATOM 0 HG22 ILE A 51 142.622 4.687 -3.286 1.00 0.82 H new ATOM 0 HG23 ILE A 51 141.963 3.038 -3.403 1.00 0.82 H new ATOM 0 HD11 ILE A 51 138.603 2.911 -0.912 1.00 0.73 H new ATOM 0 HD12 ILE A 51 139.310 4.533 -0.716 1.00 0.73 H new ATOM 0 HD13 ILE A 51 139.290 3.758 -2.318 1.00 0.73 H new ATOM 835 N GLN A 52 144.648 5.279 -1.257 1.00 0.77 N ATOM 836 CA GLN A 52 145.756 6.055 -1.888 1.00 0.82 C ATOM 837 C GLN A 52 147.109 5.599 -1.331 1.00 0.73 C ATOM 838 O GLN A 52 147.871 4.926 -1.997 1.00 0.71 O ATOM 839 CB GLN A 52 145.486 7.512 -1.512 1.00 1.02 C ATOM 840 CG GLN A 52 145.649 8.397 -2.749 1.00 1.19 C ATOM 841 CD GLN A 52 145.409 9.858 -2.366 1.00 1.68 C ATOM 842 OE1 GLN A 52 146.292 10.517 -1.853 1.00 2.44 O ATOM 843 NE2 GLN A 52 144.242 10.396 -2.593 1.00 2.11 N ATOM 0 H GLN A 52 144.158 5.757 -0.501 1.00 0.77 H new ATOM 0 HA GLN A 52 145.794 5.913 -2.968 1.00 0.82 H new ATOM 0 HB2 GLN A 52 144.478 7.614 -1.109 1.00 1.02 H new ATOM 0 HB3 GLN A 52 146.176 7.831 -0.730 1.00 1.02 H new ATOM 0 HG2 GLN A 52 146.650 8.279 -3.165 1.00 1.19 H new ATOM 0 HG3 GLN A 52 144.944 8.092 -3.523 1.00 1.19 H new ATOM 0 HE21 GLN A 52 143.501 9.843 -3.024 1.00 2.11 H new ATOM 0 HE22 GLN A 52 144.071 11.369 -2.340 1.00 2.11 H new ATOM 852 N TYR A 53 147.411 5.961 -0.114 1.00 0.75 N ATOM 853 CA TYR A 53 148.712 5.551 0.488 1.00 0.76 C ATOM 854 C TYR A 53 148.985 4.069 0.191 1.00 0.68 C ATOM 855 O TYR A 53 150.073 3.697 -0.201 1.00 0.79 O ATOM 856 CB TYR A 53 148.538 5.824 1.996 1.00 0.87 C ATOM 857 CG TYR A 53 149.088 4.683 2.828 1.00 0.96 C ATOM 858 CD1 TYR A 53 150.463 4.420 2.836 1.00 1.62 C ATOM 859 CD2 TYR A 53 148.220 3.892 3.590 1.00 1.50 C ATOM 860 CE1 TYR A 53 150.970 3.365 3.605 1.00 1.73 C ATOM 861 CE2 TYR A 53 148.727 2.837 4.359 1.00 1.56 C ATOM 862 CZ TYR A 53 150.102 2.574 4.368 1.00 1.22 C ATOM 863 OH TYR A 53 150.601 1.534 5.126 1.00 1.38 O ATOM 0 H TYR A 53 146.812 6.524 0.490 1.00 0.75 H new ATOM 0 HA TYR A 53 149.567 6.094 0.085 1.00 0.76 H new ATOM 0 HB2 TYR A 53 149.048 6.750 2.262 1.00 0.87 H new ATOM 0 HB3 TYR A 53 147.481 5.966 2.223 1.00 0.87 H new ATOM 0 HD1 TYR A 53 151.133 5.031 2.249 1.00 1.62 H new ATOM 0 HD2 TYR A 53 147.159 4.095 3.585 1.00 1.50 H new ATOM 0 HE1 TYR A 53 152.031 3.161 3.610 1.00 1.73 H new ATOM 0 HE2 TYR A 53 148.057 2.226 4.945 1.00 1.56 H new ATOM 0 HH TYR A 53 149.865 1.088 5.594 1.00 1.38 H new ATOM 873 N MET A 54 148.009 3.224 0.377 1.00 0.59 N ATOM 874 CA MET A 54 148.220 1.772 0.106 1.00 0.60 C ATOM 875 C MET A 54 148.442 1.535 -1.392 1.00 0.56 C ATOM 876 O MET A 54 149.433 0.960 -1.798 1.00 0.57 O ATOM 877 CB MET A 54 146.934 1.089 0.573 1.00 0.68 C ATOM 878 CG MET A 54 147.260 -0.304 1.115 1.00 0.77 C ATOM 879 SD MET A 54 146.112 -0.713 2.453 1.00 1.40 S ATOM 880 CE MET A 54 147.309 -1.522 3.542 1.00 0.80 C ATOM 0 H MET A 54 147.076 3.474 0.704 1.00 0.59 H new ATOM 0 HA MET A 54 149.098 1.382 0.620 1.00 0.60 H new ATOM 0 HB2 MET A 54 146.453 1.688 1.346 1.00 0.68 H new ATOM 0 HB3 MET A 54 146.230 1.012 -0.255 1.00 0.68 H new ATOM 0 HG2 MET A 54 147.184 -1.043 0.318 1.00 0.77 H new ATOM 0 HG3 MET A 54 148.287 -0.333 1.480 1.00 0.77 H new ATOM 0 HE1 MET A 54 146.791 -1.938 4.406 1.00 0.80 H new ATOM 0 HE2 MET A 54 147.811 -2.323 2.999 1.00 0.80 H new ATOM 0 HE3 MET A 54 148.047 -0.793 3.877 1.00 0.80 H new ATOM 890 N ARG A 55 147.525 1.968 -2.216 1.00 0.56 N ATOM 891 CA ARG A 55 147.679 1.763 -3.688 1.00 0.56 C ATOM 892 C ARG A 55 149.127 2.015 -4.118 1.00 0.58 C ATOM 893 O ARG A 55 149.850 1.101 -4.462 1.00 0.58 O ATOM 894 CB ARG A 55 146.743 2.789 -4.330 1.00 0.60 C ATOM 895 CG ARG A 55 147.048 2.900 -5.825 1.00 1.27 C ATOM 896 CD ARG A 55 145.756 3.213 -6.582 1.00 1.63 C ATOM 897 NE ARG A 55 145.754 4.694 -6.739 1.00 1.73 N ATOM 898 CZ ARG A 55 145.730 5.222 -7.931 1.00 2.04 C ATOM 899 NH1 ARG A 55 144.634 5.186 -8.640 1.00 2.56 N ATOM 900 NH2 ARG A 55 146.802 5.785 -8.416 1.00 2.60 N ATOM 0 H ARG A 55 146.675 2.455 -1.934 1.00 0.56 H new ATOM 0 HA ARG A 55 147.437 0.743 -3.987 1.00 0.56 H new ATOM 0 HB2 ARG A 55 145.705 2.491 -4.182 1.00 0.60 H new ATOM 0 HB3 ARG A 55 146.868 3.760 -3.850 1.00 0.60 H new ATOM 0 HG2 ARG A 55 147.785 3.684 -6.000 1.00 1.27 H new ATOM 0 HG3 ARG A 55 147.480 1.968 -6.190 1.00 1.27 H new ATOM 0 HD2 ARG A 55 145.734 2.713 -7.550 1.00 1.63 H new ATOM 0 HD3 ARG A 55 144.881 2.873 -6.028 1.00 1.63 H new ATOM 0 HE ARG A 55 145.771 5.295 -5.915 1.00 1.73 H new ATOM 0 HH11 ARG A 55 143.796 4.745 -8.261 1.00 2.56 H new ATOM 0 HH12 ARG A 55 144.616 5.599 -9.572 1.00 2.56 H new ATOM 0 HH21 ARG A 55 147.659 5.812 -7.863 1.00 2.60 H new ATOM 0 HH22 ARG A 55 146.784 6.198 -9.348 1.00 2.60 H new ATOM 914 N ARG A 56 149.555 3.247 -4.107 1.00 0.66 N ATOM 915 CA ARG A 56 150.954 3.554 -4.520 1.00 0.71 C ATOM 916 C ARG A 56 151.942 2.652 -3.775 1.00 0.68 C ATOM 917 O ARG A 56 153.008 2.342 -4.269 1.00 0.67 O ATOM 918 CB ARG A 56 151.170 5.017 -4.134 1.00 0.83 C ATOM 919 CG ARG A 56 152.311 5.601 -4.969 1.00 1.14 C ATOM 920 CD ARG A 56 151.869 6.933 -5.581 1.00 1.31 C ATOM 921 NE ARG A 56 151.335 6.578 -6.926 1.00 1.33 N ATOM 922 CZ ARG A 56 151.051 7.519 -7.785 1.00 1.82 C ATOM 923 NH1 ARG A 56 151.448 8.743 -7.570 1.00 2.36 N ATOM 924 NH2 ARG A 56 150.369 7.234 -8.861 1.00 2.46 N ATOM 0 H ARG A 56 148.997 4.055 -3.830 1.00 0.66 H new ATOM 0 HA ARG A 56 151.113 3.384 -5.585 1.00 0.71 H new ATOM 0 HB2 ARG A 56 150.256 5.587 -4.299 1.00 0.83 H new ATOM 0 HB3 ARG A 56 151.406 5.093 -3.073 1.00 0.83 H new ATOM 0 HG2 ARG A 56 153.192 5.750 -4.345 1.00 1.14 H new ATOM 0 HG3 ARG A 56 152.593 4.903 -5.757 1.00 1.14 H new ATOM 0 HD2 ARG A 56 151.108 7.416 -4.968 1.00 1.31 H new ATOM 0 HD3 ARG A 56 152.704 7.629 -5.659 1.00 1.31 H new ATOM 0 HE ARG A 56 151.191 5.599 -7.176 1.00 1.33 H new ATOM 0 HH11 ARG A 56 151.981 8.966 -6.730 1.00 2.36 H new ATOM 0 HH12 ARG A 56 151.225 9.477 -8.242 1.00 2.36 H new ATOM 0 HH21 ARG A 56 150.059 6.277 -9.030 1.00 2.46 H new ATOM 0 HH22 ARG A 56 150.146 7.968 -9.533 1.00 2.46 H new ATOM 938 N LYS A 57 151.598 2.229 -2.589 1.00 0.72 N ATOM 939 CA LYS A 57 152.522 1.350 -1.815 1.00 0.75 C ATOM 940 C LYS A 57 152.576 -0.045 -2.443 1.00 0.71 C ATOM 941 O LYS A 57 153.618 -0.666 -2.511 1.00 0.71 O ATOM 942 CB LYS A 57 151.923 1.283 -0.410 1.00 0.83 C ATOM 943 CG LYS A 57 152.771 2.125 0.546 1.00 1.10 C ATOM 944 CD LYS A 57 153.814 1.234 1.226 1.00 1.27 C ATOM 945 CE LYS A 57 154.359 1.940 2.470 1.00 1.77 C ATOM 946 NZ LYS A 57 155.840 1.911 2.311 1.00 2.36 N ATOM 0 H LYS A 57 150.719 2.453 -2.123 1.00 0.72 H new ATOM 0 HA LYS A 57 153.543 1.733 -1.804 1.00 0.75 H new ATOM 0 HB2 LYS A 57 150.897 1.650 -0.423 1.00 0.83 H new ATOM 0 HB3 LYS A 57 151.887 0.249 -0.067 1.00 0.83 H new ATOM 0 HG2 LYS A 57 153.265 2.928 -0.001 1.00 1.10 H new ATOM 0 HG3 LYS A 57 152.134 2.594 1.296 1.00 1.10 H new ATOM 0 HD2 LYS A 57 153.366 0.280 1.504 1.00 1.27 H new ATOM 0 HD3 LYS A 57 154.627 1.015 0.534 1.00 1.27 H new ATOM 0 HE2 LYS A 57 153.989 2.963 2.537 1.00 1.77 H new ATOM 0 HE3 LYS A 57 154.050 1.429 3.382 1.00 1.77 H new ATOM 0 HZ1 LYS A 57 156.286 2.377 3.127 1.00 2.36 H new ATOM 0 HZ2 LYS A 57 156.164 0.924 2.257 1.00 2.36 H new ATOM 0 HZ3 LYS A 57 156.105 2.411 1.439 1.00 2.36 H new ATOM 960 N VAL A 58 151.461 -0.543 -2.905 1.00 0.72 N ATOM 961 CA VAL A 58 151.453 -1.897 -3.528 1.00 0.73 C ATOM 962 C VAL A 58 152.279 -1.889 -4.818 1.00 0.68 C ATOM 963 O VAL A 58 153.094 -2.760 -5.050 1.00 0.68 O ATOM 964 CB VAL A 58 149.983 -2.184 -3.834 1.00 0.79 C ATOM 965 CG1 VAL A 58 149.868 -3.523 -4.564 1.00 1.40 C ATOM 966 CG2 VAL A 58 149.193 -2.250 -2.525 1.00 1.36 C ATOM 0 H VAL A 58 150.557 -0.072 -2.878 1.00 0.72 H new ATOM 0 HA VAL A 58 151.888 -2.655 -2.876 1.00 0.73 H new ATOM 0 HB VAL A 58 149.581 -1.390 -4.463 1.00 0.79 H new ATOM 0 HG11 VAL A 58 148.820 -3.729 -4.783 1.00 1.40 H new ATOM 0 HG12 VAL A 58 150.432 -3.479 -5.496 1.00 1.40 H new ATOM 0 HG13 VAL A 58 150.270 -4.317 -3.934 1.00 1.40 H new ATOM 0 HG21 VAL A 58 148.145 -2.455 -2.743 1.00 1.36 H new ATOM 0 HG22 VAL A 58 149.595 -3.045 -1.897 1.00 1.36 H new ATOM 0 HG23 VAL A 58 149.276 -1.297 -2.002 1.00 1.36 H new ATOM 976 N HIS A 59 152.076 -0.910 -5.657 1.00 0.69 N ATOM 977 CA HIS A 59 152.849 -0.845 -6.931 1.00 0.67 C ATOM 978 C HIS A 59 154.352 -0.838 -6.639 1.00 0.61 C ATOM 979 O HIS A 59 155.079 -1.719 -7.053 1.00 0.61 O ATOM 980 CB HIS A 59 152.421 0.469 -7.583 1.00 0.71 C ATOM 981 CG HIS A 59 151.195 0.235 -8.421 1.00 1.06 C ATOM 982 ND1 HIS A 59 151.234 -0.487 -9.604 1.00 1.76 N ATOM 983 CD2 HIS A 59 149.887 0.623 -8.262 1.00 1.80 C ATOM 984 CE1 HIS A 59 149.986 -0.511 -10.106 1.00 2.09 C ATOM 985 NE2 HIS A 59 149.126 0.151 -9.327 1.00 2.12 N ATOM 0 H HIS A 59 151.408 -0.152 -5.516 1.00 0.69 H new ATOM 0 HA HIS A 59 152.658 -1.702 -7.576 1.00 0.67 H new ATOM 0 HB2 HIS A 59 152.214 1.217 -6.818 1.00 0.71 H new ATOM 0 HB3 HIS A 59 153.228 0.861 -8.202 1.00 0.71 H new ATOM 0 HD2 HIS A 59 149.507 1.206 -7.436 1.00 1.80 H new ATOM 0 HE1 HIS A 59 149.713 -1.005 -11.027 1.00 2.09 H new ATOM 0 HE2 HIS A 59 148.126 0.282 -9.480 1.00 2.12 H new ATOM 993 N THR A 60 154.824 0.149 -5.928 1.00 0.59 N ATOM 994 CA THR A 60 156.279 0.210 -5.608 1.00 0.56 C ATOM 995 C THR A 60 156.742 -1.117 -4.999 1.00 0.52 C ATOM 996 O THR A 60 157.595 -1.795 -5.538 1.00 0.51 O ATOM 997 CB THR A 60 156.413 1.343 -4.589 1.00 0.59 C ATOM 998 OG1 THR A 60 155.968 2.559 -5.174 1.00 1.35 O ATOM 999 CG2 THR A 60 157.876 1.482 -4.168 1.00 1.29 C ATOM 0 H THR A 60 154.265 0.916 -5.555 1.00 0.59 H new ATOM 0 HA THR A 60 156.890 0.384 -6.494 1.00 0.56 H new ATOM 0 HB THR A 60 155.805 1.118 -3.712 1.00 0.59 H new ATOM 0 HG1 THR A 60 155.012 2.678 -4.993 1.00 1.35 H new ATOM 0 HG21 THR A 60 157.971 2.290 -3.442 1.00 1.29 H new ATOM 0 HG22 THR A 60 158.216 0.549 -3.719 1.00 1.29 H new ATOM 0 HG23 THR A 60 158.486 1.707 -5.043 1.00 1.29 H new ATOM 1007 N LEU A 61 156.186 -1.492 -3.879 1.00 0.55 N ATOM 1008 CA LEU A 61 156.594 -2.774 -3.234 1.00 0.54 C ATOM 1009 C LEU A 61 156.735 -3.875 -4.288 1.00 0.53 C ATOM 1010 O LEU A 61 157.703 -4.610 -4.311 1.00 0.51 O ATOM 1011 CB LEU A 61 155.459 -3.108 -2.265 1.00 0.63 C ATOM 1012 CG LEU A 61 155.836 -2.651 -0.855 1.00 0.67 C ATOM 1013 CD1 LEU A 61 154.669 -2.918 0.097 1.00 0.76 C ATOM 1014 CD2 LEU A 61 157.067 -3.427 -0.379 1.00 0.80 C ATOM 0 H LEU A 61 155.467 -0.966 -3.382 1.00 0.55 H new ATOM 0 HA LEU A 61 157.555 -2.692 -2.727 1.00 0.54 H new ATOM 0 HB2 LEU A 61 154.539 -2.617 -2.583 1.00 0.63 H new ATOM 0 HB3 LEU A 61 155.266 -4.181 -2.271 1.00 0.63 H new ATOM 0 HG LEU A 61 156.060 -1.584 -0.867 1.00 0.67 H new ATOM 0 HD11 LEU A 61 154.937 -2.592 1.102 1.00 0.76 H new ATOM 0 HD12 LEU A 61 153.791 -2.367 -0.240 1.00 0.76 H new ATOM 0 HD13 LEU A 61 154.446 -3.985 0.109 1.00 0.76 H new ATOM 0 HD21 LEU A 61 157.336 -3.102 0.626 1.00 0.80 H new ATOM 0 HD22 LEU A 61 156.843 -4.494 -0.367 1.00 0.80 H new ATOM 0 HD23 LEU A 61 157.900 -3.239 -1.056 1.00 0.80 H new ATOM 1026 N GLN A 62 155.772 -3.997 -5.159 1.00 0.57 N ATOM 1027 CA GLN A 62 155.842 -5.052 -6.209 1.00 0.61 C ATOM 1028 C GLN A 62 157.116 -4.893 -7.044 1.00 0.59 C ATOM 1029 O GLN A 62 157.842 -5.841 -7.270 1.00 0.64 O ATOM 1030 CB GLN A 62 154.602 -4.827 -7.073 1.00 0.68 C ATOM 1031 CG GLN A 62 154.153 -6.158 -7.677 1.00 0.76 C ATOM 1032 CD GLN A 62 154.610 -6.239 -9.134 1.00 1.04 C ATOM 1033 OE1 GLN A 62 155.158 -5.293 -9.666 1.00 1.85 O ATOM 1034 NE2 GLN A 62 154.408 -7.338 -9.807 1.00 1.12 N ATOM 0 H GLN A 62 154.938 -3.411 -5.189 1.00 0.57 H new ATOM 0 HA GLN A 62 155.870 -6.055 -5.784 1.00 0.61 H new ATOM 0 HB2 GLN A 62 153.800 -4.399 -6.472 1.00 0.68 H new ATOM 0 HB3 GLN A 62 154.823 -4.112 -7.865 1.00 0.68 H new ATOM 0 HG2 GLN A 62 154.572 -6.987 -7.107 1.00 0.76 H new ATOM 0 HG3 GLN A 62 153.068 -6.248 -7.620 1.00 0.76 H new ATOM 0 HE21 GLN A 62 153.948 -8.132 -9.361 1.00 1.12 H new ATOM 0 HE22 GLN A 62 154.710 -7.403 -10.779 1.00 1.12 H new ATOM 1043 N GLN A 63 157.394 -3.705 -7.507 1.00 0.56 N ATOM 1044 CA GLN A 63 158.621 -3.495 -8.328 1.00 0.59 C ATOM 1045 C GLN A 63 159.842 -4.084 -7.615 1.00 0.56 C ATOM 1046 O GLN A 63 160.745 -4.605 -8.239 1.00 0.56 O ATOM 1047 CB GLN A 63 158.757 -1.978 -8.461 1.00 0.61 C ATOM 1048 CG GLN A 63 158.599 -1.579 -9.930 1.00 0.95 C ATOM 1049 CD GLN A 63 157.120 -1.339 -10.237 1.00 1.41 C ATOM 1050 OE1 GLN A 63 156.700 -0.214 -10.420 1.00 1.75 O ATOM 1051 NE2 GLN A 63 156.307 -2.358 -10.302 1.00 1.72 N ATOM 0 H GLN A 63 156.826 -2.872 -7.353 1.00 0.56 H new ATOM 0 HA GLN A 63 158.555 -3.984 -9.300 1.00 0.59 H new ATOM 0 HB2 GLN A 63 158.001 -1.480 -7.854 1.00 0.61 H new ATOM 0 HB3 GLN A 63 159.729 -1.655 -8.088 1.00 0.61 H new ATOM 0 HG2 GLN A 63 159.175 -0.677 -10.137 1.00 0.95 H new ATOM 0 HG3 GLN A 63 158.993 -2.364 -10.576 1.00 0.95 H new ATOM 0 HE21 GLN A 63 156.660 -3.303 -10.148 1.00 1.72 H new ATOM 0 HE22 GLN A 63 155.319 -2.210 -10.507 1.00 1.72 H new ATOM 1060 N ASP A 64 159.876 -4.006 -6.312 1.00 0.55 N ATOM 1061 CA ASP A 64 161.038 -4.563 -5.563 1.00 0.54 C ATOM 1062 C ASP A 64 160.994 -6.094 -5.582 1.00 0.50 C ATOM 1063 O ASP A 64 161.997 -6.757 -5.403 1.00 0.51 O ATOM 1064 CB ASP A 64 160.877 -4.040 -4.134 1.00 0.53 C ATOM 1065 CG ASP A 64 162.176 -4.266 -3.357 1.00 0.79 C ATOM 1066 OD1 ASP A 64 163.229 -4.205 -3.971 1.00 1.21 O ATOM 1067 OD2 ASP A 64 162.095 -4.496 -2.162 1.00 1.43 O ATOM 0 H ASP A 64 159.150 -3.581 -5.735 1.00 0.55 H new ATOM 0 HA ASP A 64 161.991 -4.267 -6.000 1.00 0.54 H new ATOM 0 HB2 ASP A 64 160.631 -2.978 -4.150 1.00 0.53 H new ATOM 0 HB3 ASP A 64 160.051 -4.552 -3.639 1.00 0.53 H new ATOM 1072 N ILE A 65 159.838 -6.661 -5.804 1.00 0.49 N ATOM 1073 CA ILE A 65 159.734 -8.151 -5.837 1.00 0.50 C ATOM 1074 C ILE A 65 160.121 -8.662 -7.227 1.00 0.54 C ATOM 1075 O ILE A 65 160.894 -9.589 -7.366 1.00 0.53 O ATOM 1076 CB ILE A 65 158.266 -8.495 -5.532 1.00 0.52 C ATOM 1077 CG1 ILE A 65 157.641 -7.436 -4.612 1.00 0.51 C ATOM 1078 CG2 ILE A 65 158.206 -9.858 -4.837 1.00 0.56 C ATOM 1079 CD1 ILE A 65 156.295 -7.941 -4.077 1.00 0.53 C ATOM 0 H ILE A 65 158.964 -6.160 -5.963 1.00 0.49 H new ATOM 0 HA ILE A 65 160.401 -8.615 -5.111 1.00 0.50 H new ATOM 0 HB ILE A 65 157.709 -8.520 -6.469 1.00 0.52 H new ATOM 0 HG12 ILE A 65 158.314 -7.219 -3.783 1.00 0.51 H new ATOM 0 HG13 ILE A 65 157.499 -6.504 -5.159 1.00 0.51 H new ATOM 0 HG21 ILE A 65 157.168 -10.109 -4.617 1.00 0.56 H new ATOM 0 HG22 ILE A 65 158.633 -10.619 -5.491 1.00 0.56 H new ATOM 0 HG23 ILE A 65 158.774 -9.818 -3.908 1.00 0.56 H new ATOM 0 HD11 ILE A 65 155.856 -7.186 -3.425 1.00 0.53 H new ATOM 0 HD12 ILE A 65 155.622 -8.135 -4.912 1.00 0.53 H new ATOM 0 HD13 ILE A 65 156.450 -8.861 -3.514 1.00 0.53 H new ATOM 1091 N ASP A 66 159.593 -8.059 -8.258 1.00 0.60 N ATOM 1092 CA ASP A 66 159.937 -8.507 -9.637 1.00 0.67 C ATOM 1093 C ASP A 66 161.452 -8.448 -9.838 1.00 0.62 C ATOM 1094 O ASP A 66 162.056 -9.362 -10.364 1.00 0.61 O ATOM 1095 CB ASP A 66 159.232 -7.516 -10.565 1.00 0.76 C ATOM 1096 CG ASP A 66 158.441 -8.284 -11.625 1.00 1.20 C ATOM 1097 OD1 ASP A 66 157.911 -9.333 -11.296 1.00 1.61 O ATOM 1098 OD2 ASP A 66 158.378 -7.811 -12.747 1.00 2.02 O ATOM 0 H ASP A 66 158.940 -7.277 -8.205 1.00 0.60 H new ATOM 0 HA ASP A 66 159.626 -9.533 -9.832 1.00 0.67 H new ATOM 0 HB2 ASP A 66 158.563 -6.876 -9.990 1.00 0.76 H new ATOM 0 HB3 ASP A 66 159.964 -6.865 -11.043 1.00 0.76 H new ATOM 1103 N ASP A 67 162.071 -7.380 -9.415 1.00 0.62 N ATOM 1104 CA ASP A 67 163.547 -7.262 -9.574 1.00 0.60 C ATOM 1105 C ASP A 67 164.248 -8.357 -8.766 1.00 0.54 C ATOM 1106 O ASP A 67 165.022 -9.130 -9.292 1.00 0.55 O ATOM 1107 CB ASP A 67 163.896 -5.879 -9.022 1.00 0.62 C ATOM 1108 CG ASP A 67 164.779 -5.138 -10.028 1.00 0.91 C ATOM 1109 OD1 ASP A 67 165.978 -5.359 -10.009 1.00 1.60 O ATOM 1110 OD2 ASP A 67 164.240 -4.362 -10.801 1.00 1.58 O ATOM 0 H ASP A 67 161.618 -6.584 -8.966 1.00 0.62 H new ATOM 0 HA ASP A 67 163.865 -7.376 -10.610 1.00 0.60 H new ATOM 0 HB2 ASP A 67 162.985 -5.310 -8.833 1.00 0.62 H new ATOM 0 HB3 ASP A 67 164.415 -5.976 -8.068 1.00 0.62 H new ATOM 1115 N LEU A 68 163.979 -8.431 -7.490 1.00 0.54 N ATOM 1116 CA LEU A 68 164.629 -9.479 -6.650 1.00 0.51 C ATOM 1117 C LEU A 68 164.267 -10.876 -7.167 1.00 0.52 C ATOM 1118 O LEU A 68 165.107 -11.746 -7.276 1.00 0.52 O ATOM 1119 CB LEU A 68 164.063 -9.267 -5.246 1.00 0.51 C ATOM 1120 CG LEU A 68 164.575 -7.942 -4.680 1.00 0.62 C ATOM 1121 CD1 LEU A 68 163.867 -7.643 -3.358 1.00 0.63 C ATOM 1122 CD2 LEU A 68 166.083 -8.044 -4.438 1.00 0.68 C ATOM 0 H LEU A 68 163.338 -7.812 -6.993 1.00 0.54 H new ATOM 0 HA LEU A 68 165.716 -9.406 -6.669 1.00 0.51 H new ATOM 0 HB2 LEU A 68 162.974 -9.263 -5.279 1.00 0.51 H new ATOM 0 HB3 LEU A 68 164.359 -10.090 -4.596 1.00 0.51 H new ATOM 0 HG LEU A 68 164.371 -7.140 -5.389 1.00 0.62 H new ATOM 0 HD11 LEU A 68 164.232 -6.698 -2.955 1.00 0.63 H new ATOM 0 HD12 LEU A 68 162.793 -7.573 -3.528 1.00 0.63 H new ATOM 0 HD13 LEU A 68 164.071 -8.444 -2.647 1.00 0.63 H new ATOM 0 HD21 LEU A 68 166.451 -7.101 -4.034 1.00 0.68 H new ATOM 0 HD22 LEU A 68 166.284 -8.846 -3.728 1.00 0.68 H new ATOM 0 HD23 LEU A 68 166.589 -8.258 -5.379 1.00 0.68 H new ATOM 1134 N LYS A 69 163.020 -11.097 -7.482 1.00 0.58 N ATOM 1135 CA LYS A 69 162.602 -12.437 -7.987 1.00 0.65 C ATOM 1136 C LYS A 69 163.540 -12.906 -9.104 1.00 0.62 C ATOM 1137 O LYS A 69 164.098 -13.984 -9.047 1.00 0.64 O ATOM 1138 CB LYS A 69 161.187 -12.233 -8.529 1.00 0.80 C ATOM 1139 CG LYS A 69 160.512 -13.592 -8.724 1.00 0.89 C ATOM 1140 CD LYS A 69 159.026 -13.387 -9.029 1.00 1.40 C ATOM 1141 CE LYS A 69 158.252 -13.254 -7.715 1.00 1.60 C ATOM 1142 NZ LYS A 69 156.910 -12.736 -8.106 1.00 2.20 N ATOM 0 H LYS A 69 162.272 -10.408 -7.412 1.00 0.58 H new ATOM 0 HA LYS A 69 162.637 -13.197 -7.207 1.00 0.65 H new ATOM 0 HB2 LYS A 69 160.606 -11.623 -7.837 1.00 0.80 H new ATOM 0 HB3 LYS A 69 161.223 -11.694 -9.476 1.00 0.80 H new ATOM 0 HG2 LYS A 69 160.990 -14.133 -9.540 1.00 0.89 H new ATOM 0 HG3 LYS A 69 160.629 -14.200 -7.827 1.00 0.89 H new ATOM 0 HD2 LYS A 69 158.888 -12.493 -9.637 1.00 1.40 H new ATOM 0 HD3 LYS A 69 158.642 -14.228 -9.607 1.00 1.40 H new ATOM 0 HE2 LYS A 69 158.171 -14.215 -7.206 1.00 1.60 H new ATOM 0 HE3 LYS A 69 158.754 -12.571 -7.029 1.00 1.60 H new ATOM 0 HZ1 LYS A 69 156.322 -12.619 -7.256 1.00 2.20 H new ATOM 0 HZ2 LYS A 69 157.018 -11.818 -8.582 1.00 2.20 H new ATOM 0 HZ3 LYS A 69 156.453 -13.410 -8.753 1.00 2.20 H new ATOM 1156 N ARG A 70 163.714 -12.108 -10.121 1.00 0.63 N ATOM 1157 CA ARG A 70 164.611 -12.512 -11.243 1.00 0.65 C ATOM 1158 C ARG A 70 166.035 -12.736 -10.731 1.00 0.58 C ATOM 1159 O ARG A 70 166.715 -13.658 -11.138 1.00 0.58 O ATOM 1160 CB ARG A 70 164.573 -11.338 -12.222 1.00 0.73 C ATOM 1161 CG ARG A 70 164.538 -11.871 -13.655 1.00 1.29 C ATOM 1162 CD ARG A 70 163.222 -11.463 -14.320 1.00 1.30 C ATOM 1163 NE ARG A 70 163.541 -11.355 -15.771 1.00 1.67 N ATOM 1164 CZ ARG A 70 163.043 -12.216 -16.615 1.00 2.27 C ATOM 1165 NH1 ARG A 70 163.624 -13.372 -16.789 1.00 3.01 N ATOM 1166 NH2 ARG A 70 161.963 -11.921 -17.286 1.00 2.72 N ATOM 0 H ARG A 70 163.274 -11.193 -10.225 1.00 0.63 H new ATOM 0 HA ARG A 70 164.292 -13.444 -11.709 1.00 0.65 H new ATOM 0 HB2 ARG A 70 163.696 -10.719 -12.031 1.00 0.73 H new ATOM 0 HB3 ARG A 70 165.448 -10.703 -12.080 1.00 0.73 H new ATOM 0 HG2 ARG A 70 165.381 -11.477 -14.222 1.00 1.29 H new ATOM 0 HG3 ARG A 70 164.635 -12.957 -13.653 1.00 1.29 H new ATOM 0 HD2 ARG A 70 162.443 -12.204 -14.141 1.00 1.30 H new ATOM 0 HD3 ARG A 70 162.857 -10.515 -13.924 1.00 1.30 H new ATOM 0 HE ARG A 70 164.149 -10.607 -16.105 1.00 1.67 H new ATOM 0 HH11 ARG A 70 164.468 -13.603 -16.265 1.00 3.01 H new ATOM 0 HH12 ARG A 70 163.234 -14.045 -17.449 1.00 3.01 H new ATOM 0 HH21 ARG A 70 161.509 -11.018 -17.150 1.00 2.72 H new ATOM 0 HH22 ARG A 70 161.573 -12.594 -17.946 1.00 2.72 H new ATOM 1180 N GLN A 71 166.492 -11.898 -9.844 1.00 0.52 N ATOM 1181 CA GLN A 71 167.872 -12.057 -9.308 1.00 0.49 C ATOM 1182 C GLN A 71 168.101 -13.496 -8.830 1.00 0.45 C ATOM 1183 O GLN A 71 168.679 -14.302 -9.531 1.00 0.48 O ATOM 1184 CB GLN A 71 167.954 -11.073 -8.142 1.00 0.45 C ATOM 1185 CG GLN A 71 167.897 -9.641 -8.679 1.00 0.80 C ATOM 1186 CD GLN A 71 169.205 -9.315 -9.401 1.00 0.99 C ATOM 1187 OE1 GLN A 71 170.085 -10.147 -9.493 1.00 1.89 O ATOM 1188 NE2 GLN A 71 169.371 -8.129 -9.921 1.00 1.51 N ATOM 0 H GLN A 71 165.969 -11.108 -9.466 1.00 0.52 H new ATOM 0 HA GLN A 71 168.635 -11.859 -10.061 1.00 0.49 H new ATOM 0 HB2 GLN A 71 167.132 -11.246 -7.448 1.00 0.45 H new ATOM 0 HB3 GLN A 71 168.878 -11.228 -7.586 1.00 0.45 H new ATOM 0 HG2 GLN A 71 167.055 -9.531 -9.362 1.00 0.80 H new ATOM 0 HG3 GLN A 71 167.737 -8.940 -7.860 1.00 0.80 H new ATOM 0 HE21 GLN A 71 168.632 -7.430 -9.844 1.00 1.51 H new ATOM 0 HE22 GLN A 71 170.240 -7.901 -10.405 1.00 1.51 H new ATOM 1197 N ASN A 72 167.661 -13.827 -7.643 1.00 0.42 N ATOM 1198 CA ASN A 72 167.868 -15.215 -7.134 1.00 0.42 C ATOM 1199 C ASN A 72 167.596 -16.235 -8.245 1.00 0.49 C ATOM 1200 O ASN A 72 168.144 -17.319 -8.248 1.00 0.54 O ATOM 1201 CB ASN A 72 166.878 -15.384 -5.978 1.00 0.44 C ATOM 1202 CG ASN A 72 165.533 -14.758 -6.344 1.00 0.54 C ATOM 1203 OD1 ASN A 72 165.235 -13.652 -5.939 1.00 0.96 O ATOM 1204 ND2 ASN A 72 164.700 -15.423 -7.094 1.00 0.71 N ATOM 0 H ASN A 72 167.170 -13.199 -7.007 1.00 0.42 H new ATOM 0 HA ASN A 72 168.893 -15.379 -6.803 1.00 0.42 H new ATOM 0 HB2 ASN A 72 166.746 -16.442 -5.753 1.00 0.44 H new ATOM 0 HB3 ASN A 72 167.274 -14.914 -5.078 1.00 0.44 H new ATOM 0 HD21 ASN A 72 163.798 -15.015 -7.341 1.00 0.71 H new ATOM 0 HD22 ASN A 72 164.950 -16.352 -7.434 1.00 0.71 H new ATOM 1211 N ALA A 73 166.768 -15.896 -9.196 1.00 0.53 N ATOM 1212 CA ALA A 73 166.486 -16.851 -10.306 1.00 0.61 C ATOM 1213 C ALA A 73 167.786 -17.180 -11.043 1.00 0.58 C ATOM 1214 O ALA A 73 168.252 -18.303 -11.033 1.00 0.60 O ATOM 1215 CB ALA A 73 165.515 -16.115 -11.230 1.00 0.69 C ATOM 0 H ALA A 73 166.277 -15.004 -9.253 1.00 0.53 H new ATOM 0 HA ALA A 73 166.067 -17.793 -9.951 1.00 0.61 H new ATOM 0 HB1 ALA A 73 165.260 -16.756 -12.074 1.00 0.69 H new ATOM 0 HB2 ALA A 73 164.609 -15.862 -10.679 1.00 0.69 H new ATOM 0 HB3 ALA A 73 165.983 -15.202 -11.597 1.00 0.69 H new ATOM 1221 N LEU A 74 168.381 -16.204 -11.672 1.00 0.56 N ATOM 1222 CA LEU A 74 169.658 -16.454 -12.398 1.00 0.57 C ATOM 1223 C LEU A 74 170.811 -16.528 -11.395 1.00 0.51 C ATOM 1224 O LEU A 74 171.819 -17.165 -11.633 1.00 0.56 O ATOM 1225 CB LEU A 74 169.826 -15.252 -13.328 1.00 0.62 C ATOM 1226 CG LEU A 74 169.714 -13.960 -12.516 1.00 1.10 C ATOM 1227 CD1 LEU A 74 171.034 -13.190 -12.592 1.00 1.69 C ATOM 1228 CD2 LEU A 74 168.587 -13.096 -13.085 1.00 1.84 C ATOM 0 H LEU A 74 168.038 -15.244 -11.715 1.00 0.56 H new ATOM 0 HA LEU A 74 169.651 -17.393 -12.952 1.00 0.57 H new ATOM 0 HB2 LEU A 74 170.794 -15.298 -13.828 1.00 0.62 H new ATOM 0 HB3 LEU A 74 169.064 -15.272 -14.107 1.00 0.62 H new ATOM 0 HG LEU A 74 169.496 -14.204 -11.476 1.00 1.10 H new ATOM 0 HD11 LEU A 74 170.952 -12.270 -12.013 1.00 1.69 H new ATOM 0 HD12 LEU A 74 171.838 -13.804 -12.186 1.00 1.69 H new ATOM 0 HD13 LEU A 74 171.254 -12.946 -13.631 1.00 1.69 H new ATOM 0 HD21 LEU A 74 168.507 -12.175 -12.507 1.00 1.84 H new ATOM 0 HD22 LEU A 74 168.804 -12.853 -14.125 1.00 1.84 H new ATOM 0 HD23 LEU A 74 167.646 -13.643 -13.029 1.00 1.84 H new ATOM 1240 N LEU A 75 170.662 -15.887 -10.266 1.00 0.44 N ATOM 1241 CA LEU A 75 171.738 -15.922 -9.238 1.00 0.40 C ATOM 1242 C LEU A 75 171.988 -17.366 -8.801 1.00 0.41 C ATOM 1243 O LEU A 75 173.112 -17.823 -8.738 1.00 0.44 O ATOM 1244 CB LEU A 75 171.188 -15.103 -8.072 1.00 0.38 C ATOM 1245 CG LEU A 75 171.763 -13.687 -8.112 1.00 0.46 C ATOM 1246 CD1 LEU A 75 170.672 -12.692 -7.724 1.00 0.45 C ATOM 1247 CD2 LEU A 75 172.923 -13.574 -7.121 1.00 0.54 C ATOM 0 H LEU A 75 169.839 -15.340 -10.013 1.00 0.44 H new ATOM 0 HA LEU A 75 172.684 -15.526 -9.607 1.00 0.40 H new ATOM 0 HB2 LEU A 75 170.100 -15.064 -8.125 1.00 0.38 H new ATOM 0 HB3 LEU A 75 171.444 -15.582 -7.127 1.00 0.38 H new ATOM 0 HG LEU A 75 172.123 -13.470 -9.118 1.00 0.46 H new ATOM 0 HD11 LEU A 75 171.076 -11.680 -7.751 1.00 0.45 H new ATOM 0 HD12 LEU A 75 169.842 -12.770 -8.426 1.00 0.45 H new ATOM 0 HD13 LEU A 75 170.318 -12.915 -6.718 1.00 0.45 H new ATOM 0 HD21 LEU A 75 173.331 -12.564 -7.152 1.00 0.54 H new ATOM 0 HD22 LEU A 75 172.564 -13.790 -6.115 1.00 0.54 H new ATOM 0 HD23 LEU A 75 173.702 -14.288 -7.389 1.00 0.54 H new ATOM 1259 N GLU A 76 170.941 -18.087 -8.503 1.00 0.43 N ATOM 1260 CA GLU A 76 171.106 -19.504 -8.073 1.00 0.47 C ATOM 1261 C GLU A 76 171.497 -20.369 -9.272 1.00 0.51 C ATOM 1262 O GLU A 76 172.237 -21.325 -9.147 1.00 0.57 O ATOM 1263 CB GLU A 76 169.734 -19.917 -7.539 1.00 0.53 C ATOM 1264 CG GLU A 76 169.786 -21.368 -7.058 1.00 0.65 C ATOM 1265 CD GLU A 76 168.364 -21.919 -6.945 1.00 0.78 C ATOM 1266 OE1 GLU A 76 167.444 -21.209 -7.318 1.00 1.65 O ATOM 1267 OE2 GLU A 76 168.218 -23.041 -6.489 1.00 0.92 O ATOM 0 H GLU A 76 169.977 -17.755 -8.539 1.00 0.43 H new ATOM 0 HA GLU A 76 171.887 -19.624 -7.322 1.00 0.47 H new ATOM 0 HB2 GLU A 76 169.439 -19.262 -6.719 1.00 0.53 H new ATOM 0 HB3 GLU A 76 168.981 -19.809 -8.320 1.00 0.53 H new ATOM 0 HG2 GLU A 76 170.367 -21.972 -7.754 1.00 0.65 H new ATOM 0 HG3 GLU A 76 170.287 -21.424 -6.092 1.00 0.65 H new ATOM 1274 N GLN A 77 171.009 -20.035 -10.436 1.00 0.51 N ATOM 1275 CA GLN A 77 171.356 -20.832 -11.646 1.00 0.58 C ATOM 1276 C GLN A 77 172.873 -20.835 -11.853 1.00 0.58 C ATOM 1277 O GLN A 77 173.409 -21.641 -12.590 1.00 0.63 O ATOM 1278 CB GLN A 77 170.658 -20.117 -12.804 1.00 0.62 C ATOM 1279 CG GLN A 77 169.181 -20.518 -12.839 1.00 0.74 C ATOM 1280 CD GLN A 77 168.866 -21.181 -14.181 1.00 1.26 C ATOM 1281 OE1 GLN A 77 169.685 -21.184 -15.077 1.00 1.80 O ATOM 1282 NE2 GLN A 77 167.704 -21.750 -14.357 1.00 1.88 N ATOM 0 H GLN A 77 170.385 -19.245 -10.601 1.00 0.51 H new ATOM 0 HA GLN A 77 171.042 -21.873 -11.563 1.00 0.58 H new ATOM 0 HB2 GLN A 77 170.749 -19.037 -12.686 1.00 0.62 H new ATOM 0 HB3 GLN A 77 171.138 -20.377 -13.747 1.00 0.62 H new ATOM 0 HG2 GLN A 77 168.960 -21.204 -12.021 1.00 0.74 H new ATOM 0 HG3 GLN A 77 168.551 -19.640 -12.698 1.00 0.74 H new ATOM 0 HE21 GLN A 77 167.016 -21.748 -13.604 1.00 1.88 H new ATOM 0 HE22 GLN A 77 167.485 -22.197 -15.247 1.00 1.88 H new ATOM 1291 N GLN A 78 173.572 -19.957 -11.187 1.00 0.59 N ATOM 1292 CA GLN A 78 175.053 -19.924 -11.327 1.00 0.64 C ATOM 1293 C GLN A 78 175.654 -20.491 -10.053 1.00 0.60 C ATOM 1294 O GLN A 78 176.638 -21.203 -10.066 1.00 0.63 O ATOM 1295 CB GLN A 78 175.413 -18.446 -11.491 1.00 0.69 C ATOM 1296 CG GLN A 78 176.925 -18.307 -11.678 1.00 0.67 C ATOM 1297 CD GLN A 78 177.228 -17.928 -13.128 1.00 0.83 C ATOM 1298 OE1 GLN A 78 176.917 -16.836 -13.561 1.00 1.37 O ATOM 1299 NE2 GLN A 78 177.826 -18.790 -13.904 1.00 1.56 N ATOM 0 H GLN A 78 173.180 -19.261 -10.552 1.00 0.59 H new ATOM 0 HA GLN A 78 175.425 -20.506 -12.170 1.00 0.64 H new ATOM 0 HB2 GLN A 78 174.889 -18.026 -12.350 1.00 0.69 H new ATOM 0 HB3 GLN A 78 175.091 -17.883 -10.615 1.00 0.69 H new ATOM 0 HG2 GLN A 78 177.317 -17.546 -11.003 1.00 0.67 H new ATOM 0 HG3 GLN A 78 177.421 -19.244 -11.425 1.00 0.67 H new ATOM 0 HE21 GLN A 78 178.088 -19.707 -13.542 1.00 1.56 H new ATOM 0 HE22 GLN A 78 178.032 -18.547 -14.873 1.00 1.56 H new ATOM 1308 N VAL A 79 175.030 -20.197 -8.952 1.00 0.59 N ATOM 1309 CA VAL A 79 175.504 -20.725 -7.653 1.00 0.60 C ATOM 1310 C VAL A 79 175.325 -22.249 -7.645 1.00 0.63 C ATOM 1311 O VAL A 79 175.923 -22.954 -6.857 1.00 0.68 O ATOM 1312 CB VAL A 79 174.602 -20.020 -6.627 1.00 0.64 C ATOM 1313 CG1 VAL A 79 174.161 -20.990 -5.533 1.00 0.73 C ATOM 1314 CG2 VAL A 79 175.375 -18.863 -5.991 1.00 0.72 C ATOM 0 H VAL A 79 174.201 -19.605 -8.898 1.00 0.59 H new ATOM 0 HA VAL A 79 176.558 -20.542 -7.442 1.00 0.60 H new ATOM 0 HB VAL A 79 173.715 -19.647 -7.140 1.00 0.64 H new ATOM 0 HG11 VAL A 79 173.524 -20.468 -4.819 1.00 0.73 H new ATOM 0 HG12 VAL A 79 173.605 -21.814 -5.980 1.00 0.73 H new ATOM 0 HG13 VAL A 79 175.039 -21.381 -5.018 1.00 0.73 H new ATOM 0 HG21 VAL A 79 174.741 -18.359 -5.262 1.00 0.72 H new ATOM 0 HG22 VAL A 79 176.264 -19.250 -5.492 1.00 0.72 H new ATOM 0 HG23 VAL A 79 175.672 -18.155 -6.765 1.00 0.72 H new ATOM 1741 N ILE B 19 131.020 13.027 5.465 1.00 1.19 N ATOM 1742 CA ILE B 19 131.477 11.999 4.492 1.00 1.05 C ATOM 1743 C ILE B 19 131.594 12.615 3.099 1.00 0.94 C ATOM 1744 O ILE B 19 132.580 12.425 2.428 1.00 0.95 O ATOM 1745 CB ILE B 19 130.437 10.875 4.514 1.00 1.28 C ATOM 1746 CG1 ILE B 19 129.023 11.432 4.380 1.00 1.91 C ATOM 1747 CG2 ILE B 19 130.550 10.104 5.829 1.00 1.51 C ATOM 1748 CD1 ILE B 19 128.038 10.264 4.450 1.00 1.99 C ATOM 0 HA ILE B 19 132.460 11.609 4.755 1.00 1.05 H new ATOM 0 HB ILE B 19 130.631 10.213 3.670 1.00 1.28 H new ATOM 0 HG12 ILE B 19 128.820 12.148 5.176 1.00 1.91 H new ATOM 0 HG13 ILE B 19 128.913 11.965 3.436 1.00 1.91 H new ATOM 0 HG21 ILE B 19 129.810 9.304 5.846 1.00 1.51 H new ATOM 0 HG22 ILE B 19 131.549 9.677 5.916 1.00 1.51 H new ATOM 0 HG23 ILE B 19 130.371 10.781 6.664 1.00 1.51 H new ATOM 0 HD11 ILE B 19 127.020 10.641 4.356 1.00 1.99 H new ATOM 0 HD12 ILE B 19 128.243 9.566 3.638 1.00 1.99 H new ATOM 0 HD13 ILE B 19 128.149 9.752 5.406 1.00 1.99 H new ATOM 1760 N LYS B 20 130.610 13.363 2.663 1.00 0.98 N ATOM 1761 CA LYS B 20 130.703 13.991 1.308 1.00 1.01 C ATOM 1762 C LYS B 20 132.120 14.516 1.083 1.00 0.95 C ATOM 1763 O LYS B 20 132.807 14.097 0.172 1.00 0.98 O ATOM 1764 CB LYS B 20 129.708 15.149 1.318 1.00 1.24 C ATOM 1765 CG LYS B 20 128.288 14.605 1.471 1.00 1.39 C ATOM 1766 CD LYS B 20 127.291 15.617 0.905 1.00 1.83 C ATOM 1767 CE LYS B 20 127.659 15.944 -0.543 1.00 2.31 C ATOM 1768 NZ LYS B 20 126.407 16.487 -1.137 1.00 2.83 N ATOM 0 H LYS B 20 129.755 13.565 3.181 1.00 0.98 H new ATOM 0 HA LYS B 20 130.481 13.281 0.512 1.00 1.01 H new ATOM 0 HB2 LYS B 20 129.937 15.831 2.137 1.00 1.24 H new ATOM 0 HB3 LYS B 20 129.791 15.721 0.394 1.00 1.24 H new ATOM 0 HG2 LYS B 20 128.193 13.653 0.948 1.00 1.39 H new ATOM 0 HG3 LYS B 20 128.072 14.414 2.522 1.00 1.39 H new ATOM 0 HD2 LYS B 20 126.280 15.212 0.951 1.00 1.83 H new ATOM 0 HD3 LYS B 20 127.298 16.526 1.507 1.00 1.83 H new ATOM 0 HE2 LYS B 20 128.469 16.672 -0.591 1.00 2.31 H new ATOM 0 HE3 LYS B 20 127.997 15.055 -1.076 1.00 2.31 H new ATOM 0 HZ1 LYS B 20 126.575 16.737 -2.133 1.00 2.83 H new ATOM 0 HZ2 LYS B 20 125.657 15.769 -1.082 1.00 2.83 H new ATOM 0 HZ3 LYS B 20 126.113 17.335 -0.612 1.00 2.83 H new ATOM 1782 N ASP B 21 132.573 15.414 1.917 1.00 0.95 N ATOM 1783 CA ASP B 21 133.957 15.936 1.754 1.00 1.01 C ATOM 1784 C ASP B 21 134.890 14.756 1.489 1.00 0.99 C ATOM 1785 O ASP B 21 135.702 14.773 0.580 1.00 1.03 O ATOM 1786 CB ASP B 21 134.290 16.608 3.088 1.00 1.16 C ATOM 1787 CG ASP B 21 133.356 17.801 3.304 1.00 2.09 C ATOM 1788 OD1 ASP B 21 132.867 18.330 2.319 1.00 2.72 O ATOM 1789 OD2 ASP B 21 133.146 18.164 4.450 1.00 2.71 O ATOM 0 H ASP B 21 132.047 15.805 2.698 1.00 0.95 H new ATOM 0 HA ASP B 21 134.061 16.637 0.926 1.00 1.01 H new ATOM 0 HB2 ASP B 21 134.181 15.894 3.904 1.00 1.16 H new ATOM 0 HB3 ASP B 21 135.328 16.940 3.091 1.00 1.16 H new ATOM 1794 N SER B 22 134.753 13.715 2.264 1.00 1.00 N ATOM 1795 CA SER B 22 135.603 12.512 2.051 1.00 1.09 C ATOM 1796 C SER B 22 135.172 11.810 0.761 1.00 1.00 C ATOM 1797 O SER B 22 135.986 11.475 -0.075 1.00 1.03 O ATOM 1798 CB SER B 22 135.340 11.625 3.263 1.00 1.27 C ATOM 1799 OG SER B 22 136.498 10.845 3.531 1.00 1.82 O ATOM 0 H SER B 22 134.089 13.647 3.035 1.00 1.00 H new ATOM 0 HA SER B 22 136.662 12.752 1.953 1.00 1.09 H new ATOM 0 HB2 SER B 22 135.091 12.237 4.130 1.00 1.27 H new ATOM 0 HB3 SER B 22 134.485 10.976 3.075 1.00 1.27 H new ATOM 0 HG SER B 22 137.005 11.253 4.264 1.00 1.82 H new ATOM 1805 N PHE B 23 133.892 11.604 0.588 1.00 0.95 N ATOM 1806 CA PHE B 23 133.405 10.948 -0.654 1.00 0.96 C ATOM 1807 C PHE B 23 134.136 11.555 -1.848 1.00 0.86 C ATOM 1808 O PHE B 23 134.926 10.907 -2.501 1.00 0.89 O ATOM 1809 CB PHE B 23 131.916 11.294 -0.743 1.00 1.07 C ATOM 1810 CG PHE B 23 131.057 10.389 0.123 1.00 0.83 C ATOM 1811 CD1 PHE B 23 131.541 9.179 0.651 1.00 1.52 C ATOM 1812 CD2 PHE B 23 129.735 10.771 0.379 1.00 1.34 C ATOM 1813 CE1 PHE B 23 130.695 8.380 1.432 1.00 1.62 C ATOM 1814 CE2 PHE B 23 128.903 9.967 1.157 1.00 1.35 C ATOM 1815 CZ PHE B 23 129.381 8.774 1.683 1.00 1.03 C ATOM 0 H PHE B 23 133.166 11.863 1.255 1.00 0.95 H new ATOM 0 HA PHE B 23 133.573 9.871 -0.649 1.00 0.96 H new ATOM 0 HB2 PHE B 23 131.768 12.330 -0.439 1.00 1.07 H new ATOM 0 HB3 PHE B 23 131.589 11.216 -1.780 1.00 1.07 H new ATOM 0 HD1 PHE B 23 132.557 8.868 0.456 1.00 1.52 H new ATOM 0 HD2 PHE B 23 129.356 11.696 -0.030 1.00 1.34 H new ATOM 0 HE1 PHE B 23 131.064 7.452 1.843 1.00 1.62 H new ATOM 0 HE2 PHE B 23 127.885 10.272 1.351 1.00 1.35 H new ATOM 0 HZ PHE B 23 128.736 8.152 2.286 1.00 1.03 H new ATOM 1825 N HIS B 24 133.877 12.808 -2.129 1.00 0.84 N ATOM 1826 CA HIS B 24 134.558 13.476 -3.276 1.00 0.88 C ATOM 1827 C HIS B 24 136.026 13.052 -3.326 1.00 0.86 C ATOM 1828 O HIS B 24 136.505 12.564 -4.330 1.00 0.87 O ATOM 1829 CB HIS B 24 134.436 14.973 -2.995 1.00 0.97 C ATOM 1830 CG HIS B 24 133.022 15.415 -3.254 1.00 1.36 C ATOM 1831 ND1 HIS B 24 132.063 15.448 -2.254 1.00 2.01 N ATOM 1832 CD2 HIS B 24 132.390 15.846 -4.394 1.00 1.95 C ATOM 1833 CE1 HIS B 24 130.917 15.887 -2.806 1.00 2.41 C ATOM 1834 NE2 HIS B 24 131.061 16.143 -4.109 1.00 2.34 N ATOM 0 H HIS B 24 133.223 13.396 -1.612 1.00 0.84 H new ATOM 0 HA HIS B 24 134.116 13.210 -4.236 1.00 0.88 H new ATOM 0 HB2 HIS B 24 134.711 15.184 -1.962 1.00 0.97 H new ATOM 0 HB3 HIS B 24 135.125 15.531 -3.629 1.00 0.97 H new ATOM 0 HD1 HIS B 24 132.201 15.187 -1.278 1.00 2.01 H new ATOM 0 HD2 HIS B 24 132.854 15.940 -5.365 1.00 1.95 H new ATOM 0 HE1 HIS B 24 129.993 16.017 -2.262 1.00 2.41 H new ATOM 1842 N SER B 25 136.743 13.217 -2.246 1.00 0.95 N ATOM 1843 CA SER B 25 138.174 12.799 -2.246 1.00 1.05 C ATOM 1844 C SER B 25 138.263 11.290 -2.493 1.00 0.93 C ATOM 1845 O SER B 25 139.141 10.812 -3.184 1.00 0.96 O ATOM 1846 CB SER B 25 138.694 13.148 -0.853 1.00 1.27 C ATOM 1847 OG SER B 25 139.800 14.034 -0.973 1.00 1.36 O ATOM 0 H SER B 25 136.403 13.619 -1.372 1.00 0.95 H new ATOM 0 HA SER B 25 138.756 13.293 -3.024 1.00 1.05 H new ATOM 0 HB2 SER B 25 137.904 13.612 -0.263 1.00 1.27 H new ATOM 0 HB3 SER B 25 138.994 12.242 -0.327 1.00 1.27 H new ATOM 0 HG SER B 25 140.135 14.261 -0.081 1.00 1.36 H new ATOM 1853 N LEU B 26 137.347 10.542 -1.939 1.00 0.92 N ATOM 1854 CA LEU B 26 137.356 9.064 -2.141 1.00 0.96 C ATOM 1855 C LEU B 26 136.989 8.742 -3.594 1.00 0.85 C ATOM 1856 O LEU B 26 137.688 8.015 -4.286 1.00 0.86 O ATOM 1857 CB LEU B 26 136.288 8.542 -1.178 1.00 1.12 C ATOM 1858 CG LEU B 26 136.960 7.833 -0.002 1.00 1.31 C ATOM 1859 CD1 LEU B 26 136.392 8.376 1.310 1.00 1.52 C ATOM 1860 CD2 LEU B 26 136.690 6.330 -0.084 1.00 1.63 C ATOM 0 H LEU B 26 136.590 10.893 -1.353 1.00 0.92 H new ATOM 0 HA LEU B 26 138.329 8.611 -1.952 1.00 0.96 H new ATOM 0 HB2 LEU B 26 135.676 9.368 -0.816 1.00 1.12 H new ATOM 0 HB3 LEU B 26 135.621 7.854 -1.697 1.00 1.12 H new ATOM 0 HG LEU B 26 138.035 8.011 -0.040 1.00 1.31 H new ATOM 0 HD11 LEU B 26 136.870 7.872 2.150 1.00 1.52 H new ATOM 0 HD12 LEU B 26 136.583 9.447 1.374 1.00 1.52 H new ATOM 0 HD13 LEU B 26 135.317 8.197 1.343 1.00 1.52 H new ATOM 0 HD21 LEU B 26 137.170 5.828 0.756 1.00 1.63 H new ATOM 0 HD22 LEU B 26 135.615 6.151 -0.047 1.00 1.63 H new ATOM 0 HD23 LEU B 26 137.091 5.939 -1.019 1.00 1.63 H new ATOM 1872 N ARG B 27 135.904 9.292 -4.070 1.00 0.86 N ATOM 1873 CA ARG B 27 135.502 9.043 -5.478 1.00 0.93 C ATOM 1874 C ARG B 27 136.702 9.314 -6.381 1.00 0.86 C ATOM 1875 O ARG B 27 136.936 8.624 -7.354 1.00 0.96 O ATOM 1876 CB ARG B 27 134.382 10.049 -5.750 1.00 1.07 C ATOM 1877 CG ARG B 27 133.345 9.428 -6.688 1.00 1.09 C ATOM 1878 CD ARG B 27 132.412 10.524 -7.208 1.00 1.11 C ATOM 1879 NE ARG B 27 131.224 9.801 -7.738 1.00 1.55 N ATOM 1880 CZ ARG B 27 130.070 10.406 -7.808 1.00 1.93 C ATOM 1881 NH1 ARG B 27 129.884 11.360 -8.678 1.00 2.34 N ATOM 1882 NH2 ARG B 27 129.100 10.056 -7.008 1.00 2.45 N ATOM 0 H ARG B 27 135.281 9.903 -3.542 1.00 0.86 H new ATOM 0 HA ARG B 27 135.171 8.021 -5.660 1.00 0.93 H new ATOM 0 HB2 ARG B 27 133.909 10.343 -4.813 1.00 1.07 H new ATOM 0 HB3 ARG B 27 134.794 10.954 -6.196 1.00 1.07 H new ATOM 0 HG2 ARG B 27 133.843 8.932 -7.522 1.00 1.09 H new ATOM 0 HG3 ARG B 27 132.771 8.666 -6.161 1.00 1.09 H new ATOM 0 HD2 ARG B 27 132.131 11.214 -6.412 1.00 1.11 H new ATOM 0 HD3 ARG B 27 132.894 11.115 -7.987 1.00 1.11 H new ATOM 0 HE ARG B 27 131.312 8.833 -8.046 1.00 1.55 H new ATOM 0 HH11 ARG B 27 130.641 11.634 -9.304 1.00 2.34 H new ATOM 0 HH12 ARG B 27 128.982 11.832 -8.732 1.00 2.34 H new ATOM 0 HH21 ARG B 27 129.244 9.310 -6.328 1.00 2.45 H new ATOM 0 HH22 ARG B 27 128.198 10.529 -7.063 1.00 2.45 H new ATOM 1896 N ASP B 28 137.481 10.307 -6.042 1.00 0.86 N ATOM 1897 CA ASP B 28 138.689 10.621 -6.851 1.00 0.89 C ATOM 1898 C ASP B 28 139.684 9.471 -6.710 1.00 0.82 C ATOM 1899 O ASP B 28 140.567 9.289 -7.524 1.00 0.86 O ATOM 1900 CB ASP B 28 139.256 11.906 -6.244 1.00 1.04 C ATOM 1901 CG ASP B 28 138.600 13.120 -6.906 1.00 1.25 C ATOM 1902 OD1 ASP B 28 138.811 13.310 -8.092 1.00 1.66 O ATOM 1903 OD2 ASP B 28 137.900 13.841 -6.214 1.00 1.76 O ATOM 0 H ASP B 28 137.330 10.914 -5.237 1.00 0.86 H new ATOM 0 HA ASP B 28 138.473 10.749 -7.912 1.00 0.89 H new ATOM 0 HB2 ASP B 28 139.075 11.923 -5.169 1.00 1.04 H new ATOM 0 HB3 ASP B 28 140.336 11.941 -6.386 1.00 1.04 H new ATOM 1908 N SER B 29 139.527 8.682 -5.681 1.00 0.76 N ATOM 1909 CA SER B 29 140.437 7.526 -5.480 1.00 0.76 C ATOM 1910 C SER B 29 140.254 6.553 -6.640 1.00 0.71 C ATOM 1911 O SER B 29 141.167 6.311 -7.404 1.00 0.76 O ATOM 1912 CB SER B 29 139.999 6.887 -4.162 1.00 0.83 C ATOM 1913 OG SER B 29 139.880 7.894 -3.165 1.00 1.24 O ATOM 0 H SER B 29 138.804 8.792 -4.970 1.00 0.76 H new ATOM 0 HA SER B 29 141.488 7.812 -5.445 1.00 0.76 H new ATOM 0 HB2 SER B 29 139.046 6.375 -4.293 1.00 0.83 H new ATOM 0 HB3 SER B 29 140.725 6.136 -3.851 1.00 0.83 H new ATOM 0 HG SER B 29 140.027 7.498 -2.281 1.00 1.24 H new ATOM 1919 N VAL B 30 139.080 5.996 -6.791 1.00 0.70 N ATOM 1920 CA VAL B 30 138.865 5.055 -7.921 1.00 0.72 C ATOM 1921 C VAL B 30 137.966 5.706 -8.973 1.00 0.75 C ATOM 1922 O VAL B 30 136.766 5.781 -8.802 1.00 0.79 O ATOM 1923 CB VAL B 30 138.185 3.847 -7.292 1.00 0.76 C ATOM 1924 CG1 VAL B 30 138.204 2.684 -8.280 1.00 0.85 C ATOM 1925 CG2 VAL B 30 138.942 3.455 -6.023 1.00 0.83 C ATOM 0 H VAL B 30 138.273 6.152 -6.187 1.00 0.70 H new ATOM 0 HA VAL B 30 139.791 4.779 -8.426 1.00 0.72 H new ATOM 0 HB VAL B 30 137.152 4.090 -7.043 1.00 0.76 H new ATOM 0 HG11 VAL B 30 137.718 1.818 -7.832 1.00 0.85 H new ATOM 0 HG12 VAL B 30 137.673 2.969 -9.188 1.00 0.85 H new ATOM 0 HG13 VAL B 30 139.236 2.433 -8.527 1.00 0.85 H new ATOM 0 HG21 VAL B 30 138.462 2.590 -5.565 1.00 0.83 H new ATOM 0 HG22 VAL B 30 139.973 3.206 -6.276 1.00 0.83 H new ATOM 0 HG23 VAL B 30 138.932 4.289 -5.321 1.00 0.83 H new ATOM 2095 N GLN B 42 129.192 5.254 -2.991 1.00 0.77 N ATOM 2096 CA GLN B 42 129.760 4.137 -3.802 1.00 0.96 C ATOM 2097 C GLN B 42 131.246 3.916 -3.500 1.00 0.95 C ATOM 2098 O GLN B 42 131.801 2.860 -3.781 1.00 1.18 O ATOM 2099 CB GLN B 42 129.566 4.554 -5.265 1.00 1.18 C ATOM 2100 CG GLN B 42 128.146 5.094 -5.485 1.00 1.42 C ATOM 2101 CD GLN B 42 127.926 5.332 -6.979 1.00 1.68 C ATOM 2102 OE1 GLN B 42 127.450 6.377 -7.377 1.00 2.48 O ATOM 2103 NE2 GLN B 42 128.260 4.400 -7.829 1.00 1.73 N ATOM 0 HA GLN B 42 129.262 3.195 -3.572 1.00 0.96 H new ATOM 0 HB2 GLN B 42 130.297 5.317 -5.532 1.00 1.18 H new ATOM 0 HB3 GLN B 42 129.742 3.700 -5.919 1.00 1.18 H new ATOM 0 HG2 GLN B 42 127.411 4.384 -5.105 1.00 1.42 H new ATOM 0 HG3 GLN B 42 128.007 6.023 -4.932 1.00 1.42 H new ATOM 0 HE21 GLN B 42 128.659 3.523 -7.494 1.00 1.73 H new ATOM 0 HE22 GLN B 42 128.122 4.548 -8.829 1.00 1.73 H new ATOM 2112 N ILE B 43 131.903 4.878 -2.920 1.00 0.85 N ATOM 2113 CA ILE B 43 133.343 4.679 -2.619 1.00 0.92 C ATOM 2114 C ILE B 43 133.472 3.829 -1.360 1.00 0.82 C ATOM 2115 O ILE B 43 134.483 3.204 -1.130 1.00 0.75 O ATOM 2116 CB ILE B 43 133.975 6.071 -2.439 1.00 1.18 C ATOM 2117 CG1 ILE B 43 133.143 7.157 -3.137 1.00 1.66 C ATOM 2118 CG2 ILE B 43 135.363 6.059 -3.077 1.00 1.84 C ATOM 2119 CD1 ILE B 43 132.229 7.834 -2.116 1.00 2.40 C ATOM 0 H ILE B 43 131.513 5.779 -2.645 1.00 0.85 H new ATOM 0 HA ILE B 43 133.859 4.156 -3.424 1.00 0.92 H new ATOM 0 HB ILE B 43 134.022 6.292 -1.373 1.00 1.18 H new ATOM 0 HG12 ILE B 43 133.801 7.894 -3.597 1.00 1.66 H new ATOM 0 HG13 ILE B 43 132.548 6.716 -3.937 1.00 1.66 H new ATOM 0 HG21 ILE B 43 135.826 7.039 -2.959 1.00 1.84 H new ATOM 0 HG22 ILE B 43 135.981 5.304 -2.590 1.00 1.84 H new ATOM 0 HG23 ILE B 43 135.274 5.826 -4.138 1.00 1.84 H new ATOM 0 HD11 ILE B 43 131.638 8.605 -2.611 1.00 2.40 H new ATOM 0 HD12 ILE B 43 131.562 7.092 -1.676 1.00 2.40 H new ATOM 0 HD13 ILE B 43 132.834 8.288 -1.331 1.00 2.40 H new ATOM 2131 N LEU B 44 132.443 3.767 -0.556 1.00 0.90 N ATOM 2132 CA LEU B 44 132.519 2.910 0.660 1.00 0.90 C ATOM 2133 C LEU B 44 132.541 1.451 0.224 1.00 0.79 C ATOM 2134 O LEU B 44 133.363 0.670 0.657 1.00 0.73 O ATOM 2135 CB LEU B 44 131.257 3.217 1.460 1.00 0.99 C ATOM 2136 CG LEU B 44 131.491 4.464 2.309 1.00 0.91 C ATOM 2137 CD1 LEU B 44 132.177 5.535 1.469 1.00 0.84 C ATOM 2138 CD2 LEU B 44 130.154 5.008 2.791 1.00 1.55 C ATOM 0 H LEU B 44 131.564 4.267 -0.687 1.00 0.90 H new ATOM 0 HA LEU B 44 133.411 3.097 1.257 1.00 0.90 H new ATOM 0 HB2 LEU B 44 130.414 3.374 0.787 1.00 0.99 H new ATOM 0 HB3 LEU B 44 131.002 2.371 2.098 1.00 0.99 H new ATOM 0 HG LEU B 44 132.118 4.202 3.161 1.00 0.91 H new ATOM 0 HD11 LEU B 44 132.343 6.424 2.078 1.00 0.84 H new ATOM 0 HD12 LEU B 44 133.134 5.158 1.110 1.00 0.84 H new ATOM 0 HD13 LEU B 44 131.545 5.790 0.618 1.00 0.84 H new ATOM 0 HD21 LEU B 44 130.321 5.898 3.397 1.00 1.55 H new ATOM 0 HD22 LEU B 44 129.535 5.265 1.932 1.00 1.55 H new ATOM 0 HD23 LEU B 44 129.648 4.251 3.390 1.00 1.55 H new ATOM 2150 N ASP B 45 131.653 1.085 -0.657 1.00 0.91 N ATOM 2151 CA ASP B 45 131.640 -0.315 -1.148 1.00 0.87 C ATOM 2152 C ASP B 45 133.045 -0.679 -1.620 1.00 0.73 C ATOM 2153 O ASP B 45 133.593 -1.698 -1.248 1.00 0.66 O ATOM 2154 CB ASP B 45 130.659 -0.311 -2.315 1.00 1.04 C ATOM 2155 CG ASP B 45 129.480 -1.231 -1.994 1.00 1.80 C ATOM 2156 OD1 ASP B 45 129.726 -2.363 -1.613 1.00 2.49 O ATOM 2157 OD2 ASP B 45 128.352 -0.787 -2.133 1.00 2.42 O ATOM 0 H ASP B 45 130.939 1.695 -1.056 1.00 0.91 H new ATOM 0 HA ASP B 45 131.348 -1.039 -0.387 1.00 0.87 H new ATOM 0 HB2 ASP B 45 130.303 0.702 -2.501 1.00 1.04 H new ATOM 0 HB3 ASP B 45 131.158 -0.646 -3.224 1.00 1.04 H new ATOM 2162 N LYS B 46 133.644 0.163 -2.421 1.00 0.78 N ATOM 2163 CA LYS B 46 135.028 -0.133 -2.892 1.00 0.75 C ATOM 2164 C LYS B 46 136.023 0.136 -1.762 1.00 0.65 C ATOM 2165 O LYS B 46 136.963 -0.605 -1.554 1.00 0.75 O ATOM 2166 CB LYS B 46 135.268 0.827 -4.057 1.00 0.90 C ATOM 2167 CG LYS B 46 136.765 0.875 -4.386 1.00 1.35 C ATOM 2168 CD LYS B 46 137.433 2.025 -3.624 1.00 1.43 C ATOM 2169 CE LYS B 46 136.786 3.352 -4.024 1.00 1.86 C ATOM 2170 NZ LYS B 46 137.640 4.402 -3.402 1.00 2.14 N ATOM 0 H LYS B 46 133.240 1.034 -2.766 1.00 0.78 H new ATOM 0 HA LYS B 46 135.153 -1.173 -3.195 1.00 0.75 H new ATOM 0 HB2 LYS B 46 134.704 0.502 -4.931 1.00 0.90 H new ATOM 0 HB3 LYS B 46 134.910 1.824 -3.799 1.00 0.90 H new ATOM 0 HG2 LYS B 46 137.235 -0.071 -4.118 1.00 1.35 H new ATOM 0 HG3 LYS B 46 136.906 1.008 -5.459 1.00 1.35 H new ATOM 0 HD2 LYS B 46 137.332 1.869 -2.550 1.00 1.43 H new ATOM 0 HD3 LYS B 46 138.500 2.049 -3.844 1.00 1.43 H new ATOM 0 HE2 LYS B 46 136.751 3.463 -5.108 1.00 1.86 H new ATOM 0 HE3 LYS B 46 135.759 3.414 -3.664 1.00 1.86 H new ATOM 0 HZ1 LYS B 46 137.386 5.332 -3.792 1.00 2.14 H new ATOM 0 HZ2 LYS B 46 137.491 4.406 -2.373 1.00 2.14 H new ATOM 0 HZ3 LYS B 46 138.640 4.202 -3.606 1.00 2.14 H new ATOM 2184 N ALA B 47 135.818 1.196 -1.029 1.00 0.57 N ATOM 2185 CA ALA B 47 136.744 1.523 0.092 1.00 0.61 C ATOM 2186 C ALA B 47 136.936 0.294 0.979 1.00 0.68 C ATOM 2187 O ALA B 47 138.042 -0.071 1.324 1.00 0.71 O ATOM 2188 CB ALA B 47 136.050 2.640 0.871 1.00 0.67 C ATOM 0 H ALA B 47 135.047 1.851 -1.159 1.00 0.57 H new ATOM 0 HA ALA B 47 137.730 1.827 -0.259 1.00 0.61 H new ATOM 0 HB1 ALA B 47 136.673 2.936 1.715 1.00 0.67 H new ATOM 0 HB2 ALA B 47 135.894 3.498 0.217 1.00 0.67 H new ATOM 0 HB3 ALA B 47 135.087 2.284 1.238 1.00 0.67 H new ATOM 2194 N THR B 48 135.863 -0.350 1.344 1.00 0.77 N ATOM 2195 CA THR B 48 135.977 -1.563 2.203 1.00 0.92 C ATOM 2196 C THR B 48 136.696 -2.677 1.442 1.00 0.85 C ATOM 2197 O THR B 48 137.562 -3.345 1.970 1.00 0.91 O ATOM 2198 CB THR B 48 134.536 -1.976 2.510 1.00 1.09 C ATOM 2199 OG1 THR B 48 133.688 -0.839 2.430 1.00 2.02 O ATOM 2200 CG2 THR B 48 134.463 -2.577 3.915 1.00 1.20 C ATOM 0 H THR B 48 134.911 -0.089 1.085 1.00 0.77 H new ATOM 0 HA THR B 48 136.547 -1.371 3.112 1.00 0.92 H new ATOM 0 HB THR B 48 134.210 -2.720 1.783 1.00 1.09 H new ATOM 0 HG1 THR B 48 133.380 -0.725 1.507 1.00 2.02 H new ATOM 0 HG21 THR B 48 133.436 -2.871 4.132 1.00 1.20 H new ATOM 0 HG22 THR B 48 135.110 -3.452 3.970 1.00 1.20 H new ATOM 0 HG23 THR B 48 134.791 -1.837 4.645 1.00 1.20 H new ATOM 2208 N GLU B 49 136.344 -2.882 0.201 1.00 0.78 N ATOM 2209 CA GLU B 49 137.008 -3.954 -0.592 1.00 0.81 C ATOM 2210 C GLU B 49 138.504 -3.658 -0.727 1.00 0.70 C ATOM 2211 O GLU B 49 139.340 -4.457 -0.353 1.00 0.72 O ATOM 2212 CB GLU B 49 136.321 -3.921 -1.958 1.00 0.83 C ATOM 2213 CG GLU B 49 134.979 -4.651 -1.868 1.00 1.22 C ATOM 2214 CD GLU B 49 135.222 -6.158 -1.760 1.00 1.67 C ATOM 2215 OE1 GLU B 49 136.373 -6.558 -1.811 1.00 2.27 O ATOM 2216 OE2 GLU B 49 134.252 -6.886 -1.629 1.00 2.27 O ATOM 0 H GLU B 49 135.627 -2.354 -0.296 1.00 0.78 H new ATOM 0 HA GLU B 49 136.922 -4.933 -0.121 1.00 0.81 H new ATOM 0 HB2 GLU B 49 136.166 -2.890 -2.275 1.00 0.83 H new ATOM 0 HB3 GLU B 49 136.955 -4.393 -2.708 1.00 0.83 H new ATOM 0 HG2 GLU B 49 134.419 -4.299 -1.001 1.00 1.22 H new ATOM 0 HG3 GLU B 49 134.374 -4.432 -2.748 1.00 1.22 H new ATOM 2223 N TYR B 50 138.851 -2.515 -1.253 1.00 0.70 N ATOM 2224 CA TYR B 50 140.296 -2.178 -1.399 1.00 0.67 C ATOM 2225 C TYR B 50 141.008 -2.353 -0.056 1.00 0.61 C ATOM 2226 O TYR B 50 141.870 -3.196 0.097 1.00 0.58 O ATOM 2227 CB TYR B 50 140.322 -0.712 -1.833 1.00 0.88 C ATOM 2228 CG TYR B 50 140.329 -0.628 -3.342 1.00 0.71 C ATOM 2229 CD1 TYR B 50 139.774 -1.662 -4.106 1.00 1.38 C ATOM 2230 CD2 TYR B 50 140.893 0.486 -3.975 1.00 1.56 C ATOM 2231 CE1 TYR B 50 139.782 -1.580 -5.504 1.00 1.82 C ATOM 2232 CE2 TYR B 50 140.900 0.567 -5.372 1.00 1.86 C ATOM 2233 CZ TYR B 50 140.346 -0.466 -6.137 1.00 1.72 C ATOM 2234 OH TYR B 50 140.354 -0.386 -7.514 1.00 2.36 O ATOM 0 H TYR B 50 138.201 -1.803 -1.586 1.00 0.70 H new ATOM 0 HA TYR B 50 140.802 -2.821 -2.119 1.00 0.67 H new ATOM 0 HB2 TYR B 50 139.453 -0.189 -1.434 1.00 0.88 H new ATOM 0 HB3 TYR B 50 141.205 -0.218 -1.427 1.00 0.88 H new ATOM 0 HD1 TYR B 50 139.340 -2.522 -3.618 1.00 1.38 H new ATOM 0 HD2 TYR B 50 141.322 1.282 -3.385 1.00 1.56 H new ATOM 0 HE1 TYR B 50 139.353 -2.376 -6.094 1.00 1.82 H new ATOM 0 HE2 TYR B 50 141.333 1.427 -5.860 1.00 1.86 H new ATOM 0 HH TYR B 50 140.781 0.451 -7.791 1.00 2.36 H new ATOM 2244 N ILE B 51 140.652 -1.564 0.919 1.00 0.70 N ATOM 2245 CA ILE B 51 141.305 -1.681 2.253 1.00 0.76 C ATOM 2246 C ILE B 51 141.483 -3.154 2.635 1.00 0.70 C ATOM 2247 O ILE B 51 142.505 -3.548 3.156 1.00 0.76 O ATOM 2248 CB ILE B 51 140.349 -0.983 3.221 1.00 0.98 C ATOM 2249 CG1 ILE B 51 140.409 0.528 2.986 1.00 1.05 C ATOM 2250 CG2 ILE B 51 140.761 -1.293 4.661 1.00 1.33 C ATOM 2251 CD1 ILE B 51 139.363 1.227 3.857 1.00 0.74 C ATOM 0 H ILE B 51 139.935 -0.841 0.850 1.00 0.70 H new ATOM 0 HA ILE B 51 142.299 -1.234 2.267 1.00 0.76 H new ATOM 0 HB ILE B 51 139.333 -1.340 3.053 1.00 0.98 H new ATOM 0 HG12 ILE B 51 141.404 0.904 3.224 1.00 1.05 H new ATOM 0 HG13 ILE B 51 140.228 0.750 1.934 1.00 1.05 H new ATOM 0 HG21 ILE B 51 140.079 -0.795 5.350 1.00 1.33 H new ATOM 0 HG22 ILE B 51 140.722 -2.370 4.827 1.00 1.33 H new ATOM 0 HG23 ILE B 51 141.776 -0.936 4.834 1.00 1.33 H new ATOM 0 HD11 ILE B 51 139.408 2.303 3.687 1.00 0.74 H new ATOM 0 HD12 ILE B 51 138.370 0.860 3.598 1.00 0.74 H new ATOM 0 HD13 ILE B 51 139.565 1.017 4.907 1.00 0.74 H new ATOM 2263 N GLN B 52 140.498 -3.972 2.381 1.00 0.69 N ATOM 2264 CA GLN B 52 140.623 -5.416 2.733 1.00 0.73 C ATOM 2265 C GLN B 52 141.439 -6.154 1.667 1.00 0.67 C ATOM 2266 O GLN B 52 142.577 -6.521 1.886 1.00 0.74 O ATOM 2267 CB GLN B 52 139.188 -5.942 2.769 1.00 0.83 C ATOM 2268 CG GLN B 52 138.985 -6.795 4.023 1.00 1.34 C ATOM 2269 CD GLN B 52 137.559 -7.349 4.037 1.00 1.77 C ATOM 2270 OE1 GLN B 52 137.272 -8.337 3.390 1.00 2.49 O ATOM 2271 NE2 GLN B 52 136.646 -6.750 4.751 1.00 1.98 N ATOM 0 H GLN B 52 139.615 -3.705 1.946 1.00 0.69 H new ATOM 0 HA GLN B 52 141.136 -5.565 3.683 1.00 0.73 H new ATOM 0 HB2 GLN B 52 138.485 -5.109 2.766 1.00 0.83 H new ATOM 0 HB3 GLN B 52 138.985 -6.535 1.877 1.00 0.83 H new ATOM 0 HG2 GLN B 52 139.705 -7.613 4.040 1.00 1.34 H new ATOM 0 HG3 GLN B 52 139.163 -6.196 4.916 1.00 1.34 H new ATOM 0 HE21 GLN B 52 136.886 -5.921 5.294 1.00 1.98 H new ATOM 0 HE22 GLN B 52 135.692 -7.111 4.766 1.00 1.98 H new ATOM 2280 N TYR B 53 140.866 -6.373 0.516 1.00 0.62 N ATOM 2281 CA TYR B 53 141.604 -7.086 -0.566 1.00 0.65 C ATOM 2282 C TYR B 53 143.034 -6.535 -0.677 1.00 0.62 C ATOM 2283 O TYR B 53 143.990 -7.280 -0.764 1.00 0.75 O ATOM 2284 CB TYR B 53 140.774 -6.819 -1.837 1.00 0.69 C ATOM 2285 CG TYR B 53 141.664 -6.476 -3.015 1.00 0.75 C ATOM 2286 CD1 TYR B 53 142.527 -7.441 -3.549 1.00 1.43 C ATOM 2287 CD2 TYR B 53 141.622 -5.191 -3.570 1.00 1.42 C ATOM 2288 CE1 TYR B 53 143.347 -7.120 -4.638 1.00 1.48 C ATOM 2289 CE2 TYR B 53 142.442 -4.870 -4.658 1.00 1.48 C ATOM 2290 CZ TYR B 53 143.305 -5.835 -5.192 1.00 0.93 C ATOM 2291 OH TYR B 53 144.115 -5.518 -6.264 1.00 1.04 O ATOM 0 H TYR B 53 139.916 -6.088 0.277 1.00 0.62 H new ATOM 0 HA TYR B 53 141.713 -8.155 -0.385 1.00 0.65 H new ATOM 0 HB2 TYR B 53 140.176 -7.699 -2.075 1.00 0.69 H new ATOM 0 HB3 TYR B 53 140.078 -6.000 -1.654 1.00 0.69 H new ATOM 0 HD1 TYR B 53 142.560 -8.432 -3.121 1.00 1.43 H new ATOM 0 HD2 TYR B 53 140.956 -4.447 -3.158 1.00 1.42 H new ATOM 0 HE1 TYR B 53 144.012 -7.864 -5.051 1.00 1.48 H new ATOM 0 HE2 TYR B 53 142.409 -3.879 -5.085 1.00 1.48 H new ATOM 0 HH TYR B 53 143.961 -4.586 -6.526 1.00 1.04 H new ATOM 2301 N MET B 54 143.185 -5.240 -0.678 1.00 0.54 N ATOM 2302 CA MET B 54 144.551 -4.650 -0.786 1.00 0.57 C ATOM 2303 C MET B 54 145.374 -4.971 0.466 1.00 0.52 C ATOM 2304 O MET B 54 146.455 -5.520 0.384 1.00 0.51 O ATOM 2305 CB MET B 54 144.324 -3.143 -0.906 1.00 0.70 C ATOM 2306 CG MET B 54 145.408 -2.530 -1.794 1.00 0.94 C ATOM 2307 SD MET B 54 144.718 -1.126 -2.703 1.00 0.96 S ATOM 2308 CE MET B 54 145.563 -1.437 -4.273 1.00 0.77 C ATOM 0 H MET B 54 142.424 -4.565 -0.609 1.00 0.54 H new ATOM 0 HA MET B 54 145.104 -5.049 -1.636 1.00 0.57 H new ATOM 0 HB2 MET B 54 143.339 -2.946 -1.329 1.00 0.70 H new ATOM 0 HB3 MET B 54 144.345 -2.682 0.082 1.00 0.70 H new ATOM 0 HG2 MET B 54 146.251 -2.204 -1.185 1.00 0.94 H new ATOM 0 HG3 MET B 54 145.788 -3.277 -2.491 1.00 0.94 H new ATOM 0 HE1 MET B 54 145.292 -0.664 -4.992 1.00 0.77 H new ATOM 0 HE2 MET B 54 146.641 -1.423 -4.115 1.00 0.77 H new ATOM 0 HE3 MET B 54 145.266 -2.412 -4.659 1.00 0.77 H new ATOM 2318 N ARG B 55 144.873 -4.628 1.623 1.00 0.57 N ATOM 2319 CA ARG B 55 145.630 -4.907 2.880 1.00 0.58 C ATOM 2320 C ARG B 55 146.269 -6.297 2.827 1.00 0.56 C ATOM 2321 O ARG B 55 147.470 -6.434 2.713 1.00 0.58 O ATOM 2322 CB ARG B 55 144.584 -4.838 3.994 1.00 0.69 C ATOM 2323 CG ARG B 55 145.164 -5.422 5.284 1.00 0.77 C ATOM 2324 CD ARG B 55 144.560 -4.691 6.485 1.00 1.42 C ATOM 2325 NE ARG B 55 143.421 -5.544 6.921 1.00 1.43 N ATOM 2326 CZ ARG B 55 143.402 -6.039 8.128 1.00 1.84 C ATOM 2327 NH1 ARG B 55 143.158 -5.263 9.148 1.00 2.35 N ATOM 2328 NH2 ARG B 55 143.629 -7.310 8.314 1.00 2.53 N ATOM 0 H ARG B 55 143.973 -4.167 1.753 1.00 0.57 H new ATOM 0 HA ARG B 55 146.442 -4.197 3.035 1.00 0.58 H new ATOM 0 HB2 ARG B 55 144.280 -3.804 4.156 1.00 0.69 H new ATOM 0 HB3 ARG B 55 143.691 -5.391 3.702 1.00 0.69 H new ATOM 0 HG2 ARG B 55 144.945 -6.488 5.345 1.00 0.77 H new ATOM 0 HG3 ARG B 55 146.249 -5.318 5.288 1.00 0.77 H new ATOM 0 HD2 ARG B 55 145.292 -4.572 7.284 1.00 1.42 H new ATOM 0 HD3 ARG B 55 144.222 -3.692 6.210 1.00 1.42 H new ATOM 0 HE ARG B 55 142.656 -5.742 6.276 1.00 1.43 H new ATOM 0 HH11 ARG B 55 142.982 -4.269 9.002 1.00 2.35 H new ATOM 0 HH12 ARG B 55 143.143 -5.650 10.091 1.00 2.35 H new ATOM 0 HH21 ARG B 55 143.821 -7.916 7.516 1.00 2.53 H new ATOM 0 HH22 ARG B 55 143.614 -7.698 9.257 1.00 2.53 H new ATOM 2342 N ARG B 56 145.476 -7.329 2.912 1.00 0.57 N ATOM 2343 CA ARG B 56 146.041 -8.708 2.871 1.00 0.59 C ATOM 2344 C ARG B 56 146.977 -8.865 1.668 1.00 0.53 C ATOM 2345 O ARG B 56 147.909 -9.644 1.693 1.00 0.58 O ATOM 2346 CB ARG B 56 144.829 -9.628 2.731 1.00 0.67 C ATOM 2347 CG ARG B 56 145.195 -11.032 3.217 1.00 1.04 C ATOM 2348 CD ARG B 56 144.125 -11.530 4.192 1.00 1.63 C ATOM 2349 NE ARG B 56 144.629 -11.149 5.540 1.00 2.02 N ATOM 2350 CZ ARG B 56 144.037 -11.603 6.612 1.00 2.50 C ATOM 2351 NH1 ARG B 56 143.162 -12.567 6.516 1.00 3.10 N ATOM 2352 NH2 ARG B 56 144.320 -11.092 7.779 1.00 2.99 N ATOM 0 H ARG B 56 144.462 -7.278 3.008 1.00 0.57 H new ATOM 0 HA ARG B 56 146.628 -8.939 3.760 1.00 0.59 H new ATOM 0 HB2 ARG B 56 143.993 -9.237 3.312 1.00 0.67 H new ATOM 0 HB3 ARG B 56 144.505 -9.665 1.691 1.00 0.67 H new ATOM 0 HG2 ARG B 56 145.275 -11.713 2.369 1.00 1.04 H new ATOM 0 HG3 ARG B 56 146.169 -11.017 3.706 1.00 1.04 H new ATOM 0 HD2 ARG B 56 143.158 -11.070 3.987 1.00 1.63 H new ATOM 0 HD3 ARG B 56 143.988 -12.608 4.111 1.00 1.63 H new ATOM 0 HE ARG B 56 145.437 -10.533 5.626 1.00 2.02 H new ATOM 0 HH11 ARG B 56 142.941 -12.966 5.604 1.00 3.10 H new ATOM 0 HH12 ARG B 56 142.700 -12.921 7.353 1.00 3.10 H new ATOM 0 HH21 ARG B 56 145.003 -10.338 7.854 1.00 2.99 H new ATOM 0 HH22 ARG B 56 143.858 -11.446 8.616 1.00 2.99 H new ATOM 2366 N LYS B 57 146.736 -8.133 0.614 1.00 0.51 N ATOM 2367 CA LYS B 57 147.614 -8.245 -0.587 1.00 0.53 C ATOM 2368 C LYS B 57 148.985 -7.626 -0.302 1.00 0.50 C ATOM 2369 O LYS B 57 150.006 -8.137 -0.719 1.00 0.54 O ATOM 2370 CB LYS B 57 146.890 -7.463 -1.684 1.00 0.60 C ATOM 2371 CG LYS B 57 146.279 -8.442 -2.690 1.00 0.93 C ATOM 2372 CD LYS B 57 147.256 -8.663 -3.848 1.00 0.84 C ATOM 2373 CE LYS B 57 146.510 -9.272 -5.038 1.00 1.28 C ATOM 2374 NZ LYS B 57 147.297 -10.481 -5.408 1.00 1.52 N ATOM 0 H LYS B 57 145.971 -7.463 0.532 1.00 0.51 H new ATOM 0 HA LYS B 57 147.788 -9.282 -0.874 1.00 0.53 H new ATOM 0 HB2 LYS B 57 146.110 -6.840 -1.247 1.00 0.60 H new ATOM 0 HB3 LYS B 57 147.587 -6.794 -2.189 1.00 0.60 H new ATOM 0 HG2 LYS B 57 146.058 -9.391 -2.201 1.00 0.93 H new ATOM 0 HG3 LYS B 57 145.335 -8.050 -3.067 1.00 0.93 H new ATOM 0 HD2 LYS B 57 147.713 -7.717 -4.138 1.00 0.84 H new ATOM 0 HD3 LYS B 57 148.064 -9.324 -3.535 1.00 0.84 H new ATOM 0 HE2 LYS B 57 145.486 -9.534 -4.770 1.00 1.28 H new ATOM 0 HE3 LYS B 57 146.452 -8.569 -5.869 1.00 1.28 H new ATOM 0 HZ1 LYS B 57 146.847 -10.954 -6.218 1.00 1.52 H new ATOM 0 HZ2 LYS B 57 148.265 -10.200 -5.665 1.00 1.52 H new ATOM 0 HZ3 LYS B 57 147.329 -11.135 -4.600 1.00 1.52 H new ATOM 2388 N VAL B 58 149.017 -6.530 0.405 1.00 0.52 N ATOM 2389 CA VAL B 58 150.324 -5.882 0.715 1.00 0.60 C ATOM 2390 C VAL B 58 151.163 -6.792 1.617 1.00 0.61 C ATOM 2391 O VAL B 58 152.336 -7.006 1.382 1.00 0.74 O ATOM 2392 CB VAL B 58 149.963 -4.589 1.445 1.00 0.71 C ATOM 2393 CG1 VAL B 58 151.242 -3.880 1.893 1.00 0.86 C ATOM 2394 CG2 VAL B 58 149.178 -3.673 0.502 1.00 0.76 C ATOM 0 H VAL B 58 148.196 -6.055 0.781 1.00 0.52 H new ATOM 0 HA VAL B 58 150.914 -5.691 -0.182 1.00 0.60 H new ATOM 0 HB VAL B 58 149.353 -4.824 2.317 1.00 0.71 H new ATOM 0 HG11 VAL B 58 150.984 -2.958 2.414 1.00 0.86 H new ATOM 0 HG12 VAL B 58 151.803 -4.531 2.564 1.00 0.86 H new ATOM 0 HG13 VAL B 58 151.853 -3.645 1.021 1.00 0.86 H new ATOM 0 HG21 VAL B 58 148.920 -2.750 1.022 1.00 0.76 H new ATOM 0 HG22 VAL B 58 149.789 -3.439 -0.370 1.00 0.76 H new ATOM 0 HG23 VAL B 58 148.266 -4.176 0.182 1.00 0.76 H new ATOM 2404 N HIS B 59 150.571 -7.329 2.649 1.00 0.57 N ATOM 2405 CA HIS B 59 151.334 -8.224 3.566 1.00 0.67 C ATOM 2406 C HIS B 59 151.943 -9.390 2.783 1.00 0.63 C ATOM 2407 O HIS B 59 153.145 -9.565 2.745 1.00 0.71 O ATOM 2408 CB HIS B 59 150.303 -8.734 4.573 1.00 0.75 C ATOM 2409 CG HIS B 59 150.200 -7.765 5.718 1.00 0.96 C ATOM 2410 ND1 HIS B 59 151.216 -7.611 6.649 1.00 1.53 N ATOM 2411 CD2 HIS B 59 149.209 -6.894 6.098 1.00 1.68 C ATOM 2412 CE1 HIS B 59 150.817 -6.680 7.535 1.00 1.83 C ATOM 2413 NE2 HIS B 59 149.600 -6.210 7.246 1.00 1.96 N ATOM 0 H HIS B 59 149.592 -7.187 2.897 1.00 0.57 H new ATOM 0 HA HIS B 59 152.159 -7.706 4.055 1.00 0.67 H new ATOM 0 HB2 HIS B 59 149.332 -8.848 4.090 1.00 0.75 H new ATOM 0 HB3 HIS B 59 150.593 -9.718 4.940 1.00 0.75 H new ATOM 0 HD2 HIS B 59 148.269 -6.760 5.584 1.00 1.68 H new ATOM 0 HE1 HIS B 59 151.408 -6.353 8.377 1.00 1.83 H new ATOM 0 HE2 HIS B 59 149.071 -5.503 7.756 1.00 1.96 H new ATOM 2421 N THR B 60 151.123 -10.190 2.157 1.00 0.59 N ATOM 2422 CA THR B 60 151.657 -11.343 1.376 1.00 0.64 C ATOM 2423 C THR B 60 152.733 -10.864 0.398 1.00 0.59 C ATOM 2424 O THR B 60 153.875 -11.275 0.466 1.00 0.67 O ATOM 2425 CB THR B 60 150.450 -11.899 0.618 1.00 0.69 C ATOM 2426 OG1 THR B 60 149.465 -12.328 1.549 1.00 0.74 O ATOM 2427 CG2 THR B 60 150.888 -13.082 -0.245 1.00 0.84 C ATOM 0 H THR B 60 150.107 -10.095 2.152 1.00 0.59 H new ATOM 0 HA THR B 60 152.120 -12.097 2.013 1.00 0.64 H new ATOM 0 HB THR B 60 150.032 -11.121 -0.021 1.00 0.69 H new ATOM 0 HG1 THR B 60 148.849 -11.590 1.737 1.00 0.74 H new ATOM 0 HG21 THR B 60 150.027 -13.477 -0.784 1.00 0.84 H new ATOM 0 HG22 THR B 60 151.643 -12.752 -0.958 1.00 0.84 H new ATOM 0 HG23 THR B 60 151.306 -13.862 0.392 1.00 0.84 H new ATOM 2435 N LEU B 61 152.377 -9.999 -0.512 1.00 0.52 N ATOM 2436 CA LEU B 61 153.379 -9.493 -1.495 1.00 0.55 C ATOM 2437 C LEU B 61 154.703 -9.185 -0.791 1.00 0.52 C ATOM 2438 O LEU B 61 155.765 -9.561 -1.248 1.00 0.51 O ATOM 2439 CB LEU B 61 152.765 -8.211 -2.060 1.00 0.60 C ATOM 2440 CG LEU B 61 152.083 -8.513 -3.395 1.00 0.73 C ATOM 2441 CD1 LEU B 61 151.407 -7.245 -3.919 1.00 1.05 C ATOM 2442 CD2 LEU B 61 153.128 -8.986 -4.408 1.00 1.06 C ATOM 0 H LEU B 61 151.436 -9.620 -0.618 1.00 0.52 H new ATOM 0 HA LEU B 61 153.596 -10.222 -2.276 1.00 0.55 H new ATOM 0 HB2 LEU B 61 152.042 -7.801 -1.355 1.00 0.60 H new ATOM 0 HB3 LEU B 61 153.539 -7.456 -2.198 1.00 0.60 H new ATOM 0 HG LEU B 61 151.336 -9.294 -3.252 1.00 0.73 H new ATOM 0 HD11 LEU B 61 150.920 -7.459 -4.871 1.00 1.05 H new ATOM 0 HD12 LEU B 61 150.662 -6.906 -3.199 1.00 1.05 H new ATOM 0 HD13 LEU B 61 152.156 -6.466 -4.061 1.00 1.05 H new ATOM 0 HD21 LEU B 61 152.641 -9.201 -5.359 1.00 1.06 H new ATOM 0 HD22 LEU B 61 153.875 -8.206 -4.551 1.00 1.06 H new ATOM 0 HD23 LEU B 61 153.613 -9.889 -4.036 1.00 1.06 H new ATOM 2454 N GLN B 62 154.647 -8.499 0.317 1.00 0.53 N ATOM 2455 CA GLN B 62 155.899 -8.160 1.051 1.00 0.56 C ATOM 2456 C GLN B 62 156.672 -9.432 1.409 1.00 0.56 C ATOM 2457 O GLN B 62 157.862 -9.529 1.185 1.00 0.56 O ATOM 2458 CB GLN B 62 155.431 -7.441 2.317 1.00 0.62 C ATOM 2459 CG GLN B 62 156.502 -6.445 2.763 1.00 0.69 C ATOM 2460 CD GLN B 62 157.300 -7.038 3.925 1.00 1.06 C ATOM 2461 OE1 GLN B 62 156.988 -8.108 4.409 1.00 1.52 O ATOM 2462 NE2 GLN B 62 158.325 -6.383 4.397 1.00 1.26 N ATOM 0 H GLN B 62 153.787 -8.158 0.747 1.00 0.53 H new ATOM 0 HA GLN B 62 156.571 -7.543 0.454 1.00 0.56 H new ATOM 0 HB2 GLN B 62 154.492 -6.921 2.127 1.00 0.62 H new ATOM 0 HB3 GLN B 62 155.240 -8.165 3.109 1.00 0.62 H new ATOM 0 HG2 GLN B 62 157.168 -6.214 1.931 1.00 0.69 H new ATOM 0 HG3 GLN B 62 156.037 -5.508 3.068 1.00 0.69 H new ATOM 0 HE21 GLN B 62 158.587 -5.485 3.991 1.00 1.26 H new ATOM 0 HE22 GLN B 62 158.864 -6.769 5.172 1.00 1.26 H new ATOM 2471 N GLN B 63 156.007 -10.408 1.966 1.00 0.57 N ATOM 2472 CA GLN B 63 156.711 -11.669 2.339 1.00 0.61 C ATOM 2473 C GLN B 63 157.518 -12.196 1.150 1.00 0.57 C ATOM 2474 O GLN B 63 158.588 -12.749 1.310 1.00 0.58 O ATOM 2475 CB GLN B 63 155.599 -12.651 2.714 1.00 0.65 C ATOM 2476 CG GLN B 63 155.718 -13.015 4.195 1.00 0.79 C ATOM 2477 CD GLN B 63 154.929 -12.008 5.034 1.00 1.08 C ATOM 2478 OE1 GLN B 63 153.886 -12.330 5.568 1.00 1.50 O ATOM 2479 NE2 GLN B 63 155.386 -10.793 5.173 1.00 1.50 N ATOM 0 H GLN B 63 155.010 -10.387 2.178 1.00 0.57 H new ATOM 0 HA GLN B 63 157.415 -11.522 3.158 1.00 0.61 H new ATOM 0 HB2 GLN B 63 154.624 -12.206 2.515 1.00 0.65 H new ATOM 0 HB3 GLN B 63 155.671 -13.549 2.101 1.00 0.65 H new ATOM 0 HG2 GLN B 63 155.338 -14.022 4.364 1.00 0.79 H new ATOM 0 HG3 GLN B 63 156.765 -13.015 4.497 1.00 0.79 H new ATOM 0 HE21 GLN B 63 156.262 -10.523 4.725 1.00 1.50 H new ATOM 0 HE22 GLN B 63 154.868 -10.114 5.730 1.00 1.50 H new ATOM 2488 N ASP B 64 157.016 -12.028 -0.043 1.00 0.55 N ATOM 2489 CA ASP B 64 157.757 -12.518 -1.240 1.00 0.54 C ATOM 2490 C ASP B 64 158.975 -11.630 -1.507 1.00 0.52 C ATOM 2491 O ASP B 64 159.926 -12.037 -2.147 1.00 0.52 O ATOM 2492 CB ASP B 64 156.757 -12.418 -2.394 1.00 0.53 C ATOM 2493 CG ASP B 64 157.286 -13.198 -3.598 1.00 0.67 C ATOM 2494 OD1 ASP B 64 157.954 -14.196 -3.386 1.00 1.22 O ATOM 2495 OD2 ASP B 64 157.014 -12.784 -4.713 1.00 1.39 O ATOM 0 H ASP B 64 156.125 -11.573 -0.241 1.00 0.55 H new ATOM 0 HA ASP B 64 158.127 -13.535 -1.109 1.00 0.54 H new ATOM 0 HB2 ASP B 64 155.790 -12.816 -2.086 1.00 0.53 H new ATOM 0 HB3 ASP B 64 156.601 -11.374 -2.664 1.00 0.53 H new ATOM 2500 N ILE B 65 158.958 -10.420 -1.015 1.00 0.52 N ATOM 2501 CA ILE B 65 160.120 -9.509 -1.241 1.00 0.53 C ATOM 2502 C ILE B 65 161.206 -9.791 -0.200 1.00 0.54 C ATOM 2503 O ILE B 65 162.370 -9.927 -0.523 1.00 0.57 O ATOM 2504 CB ILE B 65 159.590 -8.073 -1.082 1.00 0.56 C ATOM 2505 CG1 ILE B 65 158.117 -7.988 -1.506 1.00 0.55 C ATOM 2506 CG2 ILE B 65 160.418 -7.140 -1.968 1.00 0.60 C ATOM 2507 CD1 ILE B 65 157.692 -6.518 -1.627 1.00 0.64 C ATOM 0 H ILE B 65 158.194 -10.023 -0.468 1.00 0.52 H new ATOM 0 HA ILE B 65 160.556 -9.656 -2.229 1.00 0.53 H new ATOM 0 HB ILE B 65 159.671 -7.780 -0.035 1.00 0.56 H new ATOM 0 HG12 ILE B 65 157.974 -8.497 -2.459 1.00 0.55 H new ATOM 0 HG13 ILE B 65 157.489 -8.498 -0.775 1.00 0.55 H new ATOM 0 HG21 ILE B 65 160.051 -6.119 -1.864 1.00 0.60 H new ATOM 0 HG22 ILE B 65 161.464 -7.183 -1.664 1.00 0.60 H new ATOM 0 HG23 ILE B 65 160.329 -7.453 -3.008 1.00 0.60 H new ATOM 0 HD11 ILE B 65 156.646 -6.465 -1.928 1.00 0.64 H new ATOM 0 HD12 ILE B 65 157.818 -6.022 -0.664 1.00 0.64 H new ATOM 0 HD13 ILE B 65 158.310 -6.021 -2.375 1.00 0.64 H new ATOM 2519 N ASP B 66 160.834 -9.888 1.047 1.00 0.57 N ATOM 2520 CA ASP B 66 161.844 -10.169 2.106 1.00 0.59 C ATOM 2521 C ASP B 66 162.590 -11.464 1.780 1.00 0.58 C ATOM 2522 O ASP B 66 163.799 -11.538 1.875 1.00 0.58 O ATOM 2523 CB ASP B 66 161.036 -10.324 3.394 1.00 0.68 C ATOM 2524 CG ASP B 66 161.648 -9.451 4.490 1.00 0.89 C ATOM 2525 OD1 ASP B 66 162.125 -8.376 4.166 1.00 1.32 O ATOM 2526 OD2 ASP B 66 161.630 -9.872 5.635 1.00 1.77 O ATOM 0 H ASP B 66 159.875 -9.785 1.378 1.00 0.57 H new ATOM 0 HA ASP B 66 162.591 -9.380 2.190 1.00 0.59 H new ATOM 0 HB2 ASP B 66 159.999 -10.036 3.222 1.00 0.68 H new ATOM 0 HB3 ASP B 66 161.029 -11.368 3.708 1.00 0.68 H new ATOM 2531 N ASP B 67 161.876 -12.484 1.390 1.00 0.61 N ATOM 2532 CA ASP B 67 162.542 -13.773 1.051 1.00 0.63 C ATOM 2533 C ASP B 67 163.472 -13.580 -0.149 1.00 0.58 C ATOM 2534 O ASP B 67 164.649 -13.871 -0.086 1.00 0.66 O ATOM 2535 CB ASP B 67 161.400 -14.726 0.698 1.00 0.71 C ATOM 2536 CG ASP B 67 161.575 -16.040 1.461 1.00 1.20 C ATOM 2537 OD1 ASP B 67 162.316 -16.884 0.985 1.00 1.65 O ATOM 2538 OD2 ASP B 67 160.965 -16.180 2.508 1.00 1.88 O ATOM 0 H ASP B 67 160.861 -12.481 1.291 1.00 0.61 H new ATOM 0 HA ASP B 67 163.152 -14.155 1.870 1.00 0.63 H new ATOM 0 HB2 ASP B 67 160.442 -14.272 0.951 1.00 0.71 H new ATOM 0 HB3 ASP B 67 161.389 -14.915 -0.375 1.00 0.71 H new ATOM 2543 N LEU B 68 162.954 -13.086 -1.241 1.00 0.53 N ATOM 2544 CA LEU B 68 163.811 -12.872 -2.443 1.00 0.53 C ATOM 2545 C LEU B 68 164.946 -11.895 -2.118 1.00 0.55 C ATOM 2546 O LEU B 68 166.086 -12.109 -2.478 1.00 0.58 O ATOM 2547 CB LEU B 68 162.875 -12.274 -3.495 1.00 0.52 C ATOM 2548 CG LEU B 68 161.854 -13.326 -3.931 1.00 0.70 C ATOM 2549 CD1 LEU B 68 160.810 -12.678 -4.842 1.00 0.57 C ATOM 2550 CD2 LEU B 68 162.568 -14.444 -4.692 1.00 1.07 C ATOM 0 H LEU B 68 161.975 -12.821 -1.353 1.00 0.53 H new ATOM 0 HA LEU B 68 164.276 -13.796 -2.788 1.00 0.53 H new ATOM 0 HB2 LEU B 68 162.363 -11.403 -3.087 1.00 0.52 H new ATOM 0 HB3 LEU B 68 163.450 -11.932 -4.356 1.00 0.52 H new ATOM 0 HG LEU B 68 161.362 -13.740 -3.051 1.00 0.70 H new ATOM 0 HD11 LEU B 68 160.082 -13.428 -5.153 1.00 0.57 H new ATOM 0 HD12 LEU B 68 160.301 -11.880 -4.302 1.00 0.57 H new ATOM 0 HD13 LEU B 68 161.302 -12.264 -5.722 1.00 0.57 H new ATOM 0 HD21 LEU B 68 161.841 -15.194 -5.003 1.00 1.07 H new ATOM 0 HD22 LEU B 68 163.060 -14.029 -5.572 1.00 1.07 H new ATOM 0 HD23 LEU B 68 163.313 -14.907 -4.044 1.00 1.07 H new ATOM 2562 N LYS B 69 164.641 -10.821 -1.443 1.00 0.57 N ATOM 2563 CA LYS B 69 165.700 -9.827 -1.098 1.00 0.61 C ATOM 2564 C LYS B 69 166.917 -10.530 -0.488 1.00 0.64 C ATOM 2565 O LYS B 69 168.031 -10.370 -0.944 1.00 0.71 O ATOM 2566 CB LYS B 69 165.050 -8.898 -0.073 1.00 0.67 C ATOM 2567 CG LYS B 69 165.891 -7.628 0.072 1.00 1.43 C ATOM 2568 CD LYS B 69 165.122 -6.596 0.901 1.00 1.64 C ATOM 2569 CE LYS B 69 164.185 -5.801 -0.011 1.00 2.17 C ATOM 2570 NZ LYS B 69 163.267 -5.081 0.915 1.00 2.25 N ATOM 0 H LYS B 69 163.704 -10.587 -1.115 1.00 0.57 H new ATOM 0 HA LYS B 69 166.056 -9.286 -1.975 1.00 0.61 H new ATOM 0 HB2 LYS B 69 164.038 -8.643 -0.388 1.00 0.67 H new ATOM 0 HB3 LYS B 69 164.966 -9.403 0.889 1.00 0.67 H new ATOM 0 HG2 LYS B 69 166.841 -7.861 0.553 1.00 1.43 H new ATOM 0 HG3 LYS B 69 166.124 -7.219 -0.911 1.00 1.43 H new ATOM 0 HD2 LYS B 69 164.549 -7.096 1.682 1.00 1.64 H new ATOM 0 HD3 LYS B 69 165.819 -5.922 1.399 1.00 1.64 H new ATOM 0 HE2 LYS B 69 164.741 -5.103 -0.637 1.00 2.17 H new ATOM 0 HE3 LYS B 69 163.633 -6.460 -0.681 1.00 2.17 H new ATOM 0 HZ1 LYS B 69 162.593 -4.513 0.363 1.00 2.25 H new ATOM 0 HZ2 LYS B 69 162.746 -5.771 1.493 1.00 2.25 H new ATOM 0 HZ3 LYS B 69 163.820 -4.456 1.536 1.00 2.25 H new ATOM 2584 N ARG B 70 166.713 -11.303 0.544 1.00 0.64 N ATOM 2585 CA ARG B 70 167.860 -12.010 1.185 1.00 0.70 C ATOM 2586 C ARG B 70 168.541 -12.943 0.180 1.00 0.67 C ATOM 2587 O ARG B 70 169.751 -13.048 0.137 1.00 0.71 O ATOM 2588 CB ARG B 70 167.238 -12.816 2.326 1.00 0.78 C ATOM 2589 CG ARG B 70 168.153 -12.753 3.550 1.00 1.17 C ATOM 2590 CD ARG B 70 167.431 -12.038 4.693 1.00 1.29 C ATOM 2591 NE ARG B 70 168.007 -12.624 5.935 1.00 1.57 N ATOM 2592 CZ ARG B 70 168.758 -11.895 6.714 1.00 2.02 C ATOM 2593 NH1 ARG B 70 170.027 -11.747 6.447 1.00 2.36 N ATOM 2594 NH2 ARG B 70 168.240 -11.313 7.761 1.00 2.75 N ATOM 0 H ARG B 70 165.803 -11.476 0.971 1.00 0.64 H new ATOM 0 HA ARG B 70 168.623 -11.318 1.540 1.00 0.70 H new ATOM 0 HB2 ARG B 70 166.254 -12.418 2.573 1.00 0.78 H new ATOM 0 HB3 ARG B 70 167.095 -13.852 2.018 1.00 0.78 H new ATOM 0 HG2 ARG B 70 168.435 -13.760 3.858 1.00 1.17 H new ATOM 0 HG3 ARG B 70 169.074 -12.226 3.302 1.00 1.17 H new ATOM 0 HD2 ARG B 70 167.594 -10.961 4.651 1.00 1.29 H new ATOM 0 HD3 ARG B 70 166.354 -12.199 4.642 1.00 1.29 H new ATOM 0 HE ARG B 70 167.814 -13.596 6.177 1.00 1.57 H new ATOM 0 HH11 ARG B 70 170.432 -12.201 5.629 1.00 2.36 H new ATOM 0 HH12 ARG B 70 170.613 -11.177 7.057 1.00 2.36 H new ATOM 0 HH21 ARG B 70 167.248 -11.428 7.970 1.00 2.75 H new ATOM 0 HH22 ARG B 70 168.827 -10.743 8.370 1.00 2.75 H new ATOM 2608 N GLN B 71 167.773 -13.622 -0.626 1.00 0.65 N ATOM 2609 CA GLN B 71 168.372 -14.552 -1.628 1.00 0.68 C ATOM 2610 C GLN B 71 169.473 -13.838 -2.422 1.00 0.58 C ATOM 2611 O GLN B 71 170.644 -13.974 -2.130 1.00 0.58 O ATOM 2612 CB GLN B 71 167.206 -14.946 -2.535 1.00 0.73 C ATOM 2613 CG GLN B 71 166.213 -15.801 -1.745 1.00 1.13 C ATOM 2614 CD GLN B 71 166.829 -17.172 -1.462 1.00 1.30 C ATOM 2615 OE1 GLN B 71 167.952 -17.437 -1.841 1.00 2.00 O ATOM 2616 NE2 GLN B 71 166.135 -18.063 -0.806 1.00 1.72 N ATOM 0 H GLN B 71 166.754 -13.574 -0.635 1.00 0.65 H new ATOM 0 HA GLN B 71 168.839 -15.422 -1.168 1.00 0.68 H new ATOM 0 HB2 GLN B 71 166.711 -14.053 -2.917 1.00 0.73 H new ATOM 0 HB3 GLN B 71 167.574 -15.501 -3.398 1.00 0.73 H new ATOM 0 HG2 GLN B 71 165.956 -15.306 -0.808 1.00 1.13 H new ATOM 0 HG3 GLN B 71 165.287 -15.916 -2.309 1.00 1.13 H new ATOM 0 HE21 GLN B 71 165.192 -17.841 -0.487 1.00 1.72 H new ATOM 0 HE22 GLN B 71 166.536 -18.981 -0.612 1.00 1.72 H new ATOM 2625 N ASN B 72 169.105 -13.078 -3.421 1.00 0.54 N ATOM 2626 CA ASN B 72 170.129 -12.349 -4.230 1.00 0.50 C ATOM 2627 C ASN B 72 171.229 -11.790 -3.317 1.00 0.46 C ATOM 2628 O ASN B 72 172.364 -11.636 -3.721 1.00 0.46 O ATOM 2629 CB ASN B 72 169.342 -11.215 -4.903 1.00 0.52 C ATOM 2630 CG ASN B 72 170.242 -9.991 -5.127 1.00 0.50 C ATOM 2631 OD1 ASN B 72 170.646 -9.698 -6.333 1.00 0.70 O flip ATOM 2632 ND2 ASN B 72 170.579 -9.293 -4.191 1.00 0.67 N flip ATOM 0 H ASN B 72 168.139 -12.930 -3.712 1.00 0.54 H new ATOM 0 HA ASN B 72 170.630 -12.989 -4.956 1.00 0.50 H new ATOM 0 HB2 ASN B 72 168.943 -11.559 -5.857 1.00 0.52 H new ATOM 0 HB3 ASN B 72 168.490 -10.938 -4.282 1.00 0.52 H new ATOM 0 HD21 ASN B 72 170.265 -9.519 -3.247 1.00 0.67 H new ATOM 0 HD22 ASN B 72 171.176 -8.481 -4.349 1.00 0.67 H new ATOM 2639 N ALA B 73 170.899 -11.481 -2.094 1.00 0.50 N ATOM 2640 CA ALA B 73 171.926 -10.930 -1.166 1.00 0.54 C ATOM 2641 C ALA B 73 173.068 -11.934 -1.005 1.00 0.54 C ATOM 2642 O ALA B 73 174.190 -11.682 -1.398 1.00 0.57 O ATOM 2643 CB ALA B 73 171.196 -10.724 0.161 1.00 0.64 C ATOM 0 H ALA B 73 169.965 -11.586 -1.698 1.00 0.50 H new ATOM 0 HA ALA B 73 172.364 -10.001 -1.531 1.00 0.54 H new ATOM 0 HB1 ALA B 73 171.889 -10.319 0.898 1.00 0.64 H new ATOM 0 HB2 ALA B 73 170.370 -10.027 0.018 1.00 0.64 H new ATOM 0 HB3 ALA B 73 170.807 -11.679 0.515 1.00 0.64 H new ATOM 2649 N LEU B 74 172.787 -13.074 -0.440 1.00 0.54 N ATOM 2650 CA LEU B 74 173.851 -14.101 -0.265 1.00 0.57 C ATOM 2651 C LEU B 74 174.107 -14.807 -1.599 1.00 0.52 C ATOM 2652 O LEU B 74 175.185 -15.309 -1.853 1.00 0.54 O ATOM 2653 CB LEU B 74 173.287 -15.080 0.765 1.00 0.60 C ATOM 2654 CG LEU B 74 171.907 -15.559 0.312 1.00 0.76 C ATOM 2655 CD1 LEU B 74 171.941 -17.070 0.078 1.00 1.30 C ATOM 2656 CD2 LEU B 74 170.874 -15.234 1.392 1.00 0.94 C ATOM 0 H LEU B 74 171.866 -13.339 -0.091 1.00 0.54 H new ATOM 0 HA LEU B 74 174.800 -13.675 0.061 1.00 0.57 H new ATOM 0 HB2 LEU B 74 173.959 -15.930 0.880 1.00 0.60 H new ATOM 0 HB3 LEU B 74 173.214 -14.597 1.739 1.00 0.60 H new ATOM 0 HG LEU B 74 171.635 -15.054 -0.615 1.00 0.76 H new ATOM 0 HD11 LEU B 74 170.957 -17.410 -0.245 1.00 1.30 H new ATOM 0 HD12 LEU B 74 172.676 -17.302 -0.692 1.00 1.30 H new ATOM 0 HD13 LEU B 74 172.214 -17.576 1.004 1.00 1.30 H new ATOM 0 HD21 LEU B 74 169.890 -15.575 1.069 1.00 0.94 H new ATOM 0 HD22 LEU B 74 171.147 -15.738 2.319 1.00 0.94 H new ATOM 0 HD23 LEU B 74 170.848 -14.157 1.558 1.00 0.94 H new ATOM 2668 N LEU B 75 173.122 -14.838 -2.457 1.00 0.48 N ATOM 2669 CA LEU B 75 173.302 -15.499 -3.779 1.00 0.46 C ATOM 2670 C LEU B 75 174.433 -14.814 -4.549 1.00 0.45 C ATOM 2671 O LEU B 75 175.315 -15.456 -5.083 1.00 0.49 O ATOM 2672 CB LEU B 75 171.971 -15.297 -4.501 1.00 0.46 C ATOM 2673 CG LEU B 75 171.115 -16.559 -4.387 1.00 0.50 C ATOM 2674 CD1 LEU B 75 169.658 -16.158 -4.168 1.00 0.52 C ATOM 2675 CD2 LEU B 75 171.219 -17.370 -5.681 1.00 0.50 C ATOM 0 H LEU B 75 172.200 -14.433 -2.297 1.00 0.48 H new ATOM 0 HA LEU B 75 173.563 -16.554 -3.688 1.00 0.46 H new ATOM 0 HB2 LEU B 75 171.440 -14.448 -4.071 1.00 0.46 H new ATOM 0 HB3 LEU B 75 172.149 -15.063 -5.550 1.00 0.46 H new ATOM 0 HG LEU B 75 171.467 -17.161 -3.549 1.00 0.50 H new ATOM 0 HD11 LEU B 75 169.042 -17.054 -4.086 1.00 0.52 H new ATOM 0 HD12 LEU B 75 169.575 -15.575 -3.251 1.00 0.52 H new ATOM 0 HD13 LEU B 75 169.315 -15.558 -5.011 1.00 0.52 H new ATOM 0 HD21 LEU B 75 170.608 -18.269 -5.597 1.00 0.50 H new ATOM 0 HD22 LEU B 75 170.865 -16.767 -6.518 1.00 0.50 H new ATOM 0 HD23 LEU B 75 172.258 -17.652 -5.851 1.00 0.50 H new ATOM 2687 N GLU B 76 174.409 -13.509 -4.605 1.00 0.50 N ATOM 2688 CA GLU B 76 175.480 -12.771 -5.335 1.00 0.54 C ATOM 2689 C GLU B 76 176.784 -12.826 -4.538 1.00 0.57 C ATOM 2690 O GLU B 76 177.863 -12.870 -5.095 1.00 0.59 O ATOM 2691 CB GLU B 76 174.970 -11.333 -5.433 1.00 0.64 C ATOM 2692 CG GLU B 76 175.996 -10.476 -6.177 1.00 0.68 C ATOM 2693 CD GLU B 76 175.723 -8.997 -5.897 1.00 0.73 C ATOM 2694 OE1 GLU B 76 174.843 -8.717 -5.099 1.00 1.35 O ATOM 2695 OE2 GLU B 76 176.397 -8.168 -6.486 1.00 1.30 O ATOM 0 H GLU B 76 173.693 -12.922 -4.176 1.00 0.50 H new ATOM 0 HA GLU B 76 175.686 -13.196 -6.317 1.00 0.54 H new ATOM 0 HB2 GLU B 76 174.014 -11.310 -5.956 1.00 0.64 H new ATOM 0 HB3 GLU B 76 174.798 -10.928 -4.436 1.00 0.64 H new ATOM 0 HG2 GLU B 76 177.005 -10.738 -5.857 1.00 0.68 H new ATOM 0 HG3 GLU B 76 175.940 -10.671 -7.248 1.00 0.68 H new ATOM 2702 N GLN B 77 176.691 -12.829 -3.236 1.00 0.65 N ATOM 2703 CA GLN B 77 177.923 -12.888 -2.399 1.00 0.74 C ATOM 2704 C GLN B 77 178.723 -14.151 -2.733 1.00 0.69 C ATOM 2705 O GLN B 77 179.887 -14.269 -2.400 1.00 0.74 O ATOM 2706 CB GLN B 77 177.419 -12.938 -0.957 1.00 0.86 C ATOM 2707 CG GLN B 77 177.050 -11.527 -0.493 1.00 1.31 C ATOM 2708 CD GLN B 77 177.906 -11.148 0.716 1.00 1.40 C ATOM 2709 OE1 GLN B 77 178.615 -11.974 1.256 1.00 2.10 O ATOM 2710 NE2 GLN B 77 177.871 -9.925 1.168 1.00 1.83 N ATOM 0 H GLN B 77 175.815 -12.793 -2.716 1.00 0.65 H new ATOM 0 HA GLN B 77 178.583 -12.037 -2.570 1.00 0.74 H new ATOM 0 HB2 GLN B 77 176.551 -13.593 -0.887 1.00 0.86 H new ATOM 0 HB3 GLN B 77 178.187 -13.356 -0.307 1.00 0.86 H new ATOM 0 HG2 GLN B 77 177.208 -10.814 -1.302 1.00 1.31 H new ATOM 0 HG3 GLN B 77 175.993 -11.483 -0.232 1.00 1.31 H new ATOM 0 HE21 GLN B 77 177.276 -9.231 0.715 1.00 1.83 H new ATOM 0 HE22 GLN B 77 178.438 -9.663 1.974 1.00 1.83 H new ATOM 2719 N GLN B 78 178.114 -15.085 -3.412 1.00 0.61 N ATOM 2720 CA GLN B 78 178.843 -16.327 -3.787 1.00 0.61 C ATOM 2721 C GLN B 78 179.140 -16.261 -5.276 1.00 0.53 C ATOM 2722 O GLN B 78 180.189 -16.659 -5.742 1.00 0.56 O ATOM 2723 CB GLN B 78 177.881 -17.474 -3.473 1.00 0.65 C ATOM 2724 CG GLN B 78 178.555 -18.809 -3.795 1.00 0.73 C ATOM 2725 CD GLN B 78 178.904 -19.533 -2.493 1.00 1.14 C ATOM 2726 OE1 GLN B 78 178.028 -19.972 -1.775 1.00 1.98 O ATOM 2727 NE2 GLN B 78 180.157 -19.677 -2.156 1.00 1.54 N ATOM 0 H GLN B 78 177.143 -15.040 -3.723 1.00 0.61 H new ATOM 0 HA GLN B 78 179.785 -16.458 -3.254 1.00 0.61 H new ATOM 0 HB2 GLN B 78 177.593 -17.444 -2.422 1.00 0.65 H new ATOM 0 HB3 GLN B 78 176.967 -17.366 -4.057 1.00 0.65 H new ATOM 0 HG2 GLN B 78 177.891 -19.427 -4.400 1.00 0.73 H new ATOM 0 HG3 GLN B 78 179.457 -18.640 -4.383 1.00 0.73 H new ATOM 0 HE21 GLN B 78 180.893 -19.309 -2.759 1.00 1.54 H new ATOM 0 HE22 GLN B 78 180.400 -20.158 -1.290 1.00 1.54 H new ATOM 2736 N VAL B 79 178.218 -15.722 -6.014 1.00 0.46 N ATOM 2737 CA VAL B 79 178.414 -15.570 -7.473 1.00 0.48 C ATOM 2738 C VAL B 79 179.554 -14.572 -7.717 1.00 0.50 C ATOM 2739 O VAL B 79 180.131 -14.516 -8.785 1.00 0.59 O ATOM 2740 CB VAL B 79 177.057 -15.045 -7.966 1.00 0.56 C ATOM 2741 CG1 VAL B 79 177.247 -13.946 -9.008 1.00 0.77 C ATOM 2742 CG2 VAL B 79 176.268 -16.199 -8.588 1.00 0.50 C ATOM 0 H VAL B 79 177.325 -15.376 -5.662 1.00 0.46 H new ATOM 0 HA VAL B 79 178.695 -16.485 -7.994 1.00 0.48 H new ATOM 0 HB VAL B 79 176.513 -14.630 -7.117 1.00 0.56 H new ATOM 0 HG11 VAL B 79 176.273 -13.590 -9.343 1.00 0.77 H new ATOM 0 HG12 VAL B 79 177.804 -13.119 -8.567 1.00 0.77 H new ATOM 0 HG13 VAL B 79 177.800 -14.343 -9.859 1.00 0.77 H new ATOM 0 HG21 VAL B 79 175.304 -15.832 -8.940 1.00 0.50 H new ATOM 0 HG22 VAL B 79 176.828 -16.612 -9.427 1.00 0.50 H new ATOM 0 HG23 VAL B 79 176.110 -16.976 -7.840 1.00 0.50 H new