USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=22 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 72 ASN : amide:sc= -1.06 K(o=-3.4,f=-4.1!) USER MOD Set 1.2: B 71 GLN : amide:sc= -2.33! C(o=-3.4!,f=-4.6!) USER MOD Set 2.1: A 48 THR OG1 : rot 18:sc= -3.54! USER MOD Set 2.2: A 52 GLN : amide:sc= -0.0114 K(o=-2.7,f=-4.1!) USER MOD Set 2.3: B 29 SER OG : rot 172:sc= 0.86 USER MOD Set 3.1: A 29 SER OG : rot -91:sc= 0.989 USER MOD Set 3.2: B 48 THR OG1 : rot -100:sc= -2.72! USER MOD Set 3.3: B 52 GLN : amide:sc=-0.00501 K(o=-1.7,f=-3.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl 143:sc= -0.0327 (180deg=-0.0698) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.511 F(o=-1.1,f=-0.51) USER MOD Single : A 60 THR OG1 : rot -104:sc= -0.15 USER MOD Single : A 62 GLN : amide:sc= -0.0849 X(o=-0.085,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.4) USER MOD Single : A 69 LYS NZ :NH3+ -139:sc=-0.00854 (180deg=-0.139) USER MOD Single : A 71 GLN : amide:sc= -2.33! C(o=-2.3!,f=-3.5!) USER MOD Single : A 77 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.9!) USER MOD Single : A 78 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.13) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 170:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 HIS :FLIP no HD1:sc= -0.428 F(o=-0.99,f=-0.43) USER MOD Single : B 60 THR OG1 : rot -106:sc= -0.15 USER MOD Single : B 62 GLN : amide:sc= -0.0631 X(o=-0.063,f=0) USER MOD Single : B 63 GLN : amide:sc= -0.567 X(o=-0.57,f=-0.57) USER MOD Single : B 69 LYS NZ :NH3+ -137:sc=-0.00238 (180deg=-0.129) USER MOD Single : B 72 ASN :FLIP amide:sc= -3.97 F(o=-6.6!,f=-4) USER MOD Single : B 77 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.1!) USER MOD Single : B 78 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 313 N ILE A 19 125.543 3.768 2.527 1.00 1.72 N ATOM 314 CA ILE A 19 126.927 3.809 3.088 1.00 1.09 C ATOM 315 C ILE A 19 126.965 3.178 4.476 1.00 0.98 C ATOM 316 O ILE A 19 127.787 2.331 4.732 1.00 1.27 O ATOM 317 CB ILE A 19 127.372 5.276 3.137 1.00 0.98 C ATOM 318 CG1 ILE A 19 126.313 6.171 3.784 1.00 1.49 C ATOM 319 CG2 ILE A 19 127.645 5.768 1.719 1.00 1.01 C ATOM 320 CD1 ILE A 19 126.730 7.630 3.580 1.00 1.40 C ATOM 0 HA ILE A 19 127.607 3.236 2.458 1.00 1.09 H new ATOM 0 HB ILE A 19 128.276 5.331 3.743 1.00 0.98 H new ATOM 0 HG12 ILE A 19 125.336 5.989 3.336 1.00 1.49 H new ATOM 0 HG13 ILE A 19 126.223 5.946 4.847 1.00 1.49 H new ATOM 0 HG21 ILE A 19 127.962 6.811 1.750 1.00 1.01 H new ATOM 0 HG22 ILE A 19 128.432 5.163 1.269 1.00 1.01 H new ATOM 0 HG23 ILE A 19 126.736 5.682 1.123 1.00 1.01 H new ATOM 0 HD11 ILE A 19 125.988 8.287 4.034 1.00 1.40 H new ATOM 0 HD12 ILE A 19 127.700 7.800 4.047 1.00 1.40 H new ATOM 0 HD13 ILE A 19 126.799 7.843 2.513 1.00 1.40 H new ATOM 332 N LYS A 20 126.094 3.575 5.370 1.00 1.14 N ATOM 333 CA LYS A 20 126.103 2.967 6.742 1.00 1.56 C ATOM 334 C LYS A 20 126.461 1.483 6.653 1.00 1.34 C ATOM 335 O LYS A 20 127.497 1.062 7.127 1.00 1.27 O ATOM 336 CB LYS A 20 124.686 3.124 7.276 1.00 2.22 C ATOM 337 CG LYS A 20 124.428 4.590 7.628 1.00 2.75 C ATOM 338 CD LYS A 20 123.837 4.677 9.036 1.00 3.61 C ATOM 339 CE LYS A 20 122.474 5.371 8.979 1.00 4.17 C ATOM 340 NZ LYS A 20 122.785 6.827 8.950 1.00 4.71 N ATOM 0 H LYS A 20 125.381 4.288 5.214 1.00 1.14 H new ATOM 0 HA LYS A 20 126.835 3.449 7.390 1.00 1.56 H new ATOM 0 HB2 LYS A 20 123.966 2.787 6.530 1.00 2.22 H new ATOM 0 HB3 LYS A 20 124.548 2.498 8.158 1.00 2.22 H new ATOM 0 HG2 LYS A 20 125.357 5.157 7.576 1.00 2.75 H new ATOM 0 HG3 LYS A 20 123.743 5.034 6.906 1.00 2.75 H new ATOM 0 HD2 LYS A 20 123.730 3.678 9.459 1.00 3.61 H new ATOM 0 HD3 LYS A 20 124.511 5.230 9.691 1.00 3.61 H new ATOM 0 HE2 LYS A 20 121.914 5.069 8.094 1.00 4.17 H new ATOM 0 HE3 LYS A 20 121.864 5.115 9.845 1.00 4.17 H new ATOM 0 HZ1 LYS A 20 121.899 7.370 8.911 1.00 4.71 H new ATOM 0 HZ2 LYS A 20 123.312 7.086 9.808 1.00 4.71 H new ATOM 0 HZ3 LYS A 20 123.361 7.042 8.111 1.00 4.71 H new ATOM 354 N ASP A 21 125.628 0.687 6.026 1.00 1.44 N ATOM 355 CA ASP A 21 125.967 -0.757 5.895 1.00 1.43 C ATOM 356 C ASP A 21 127.422 -0.858 5.445 1.00 1.20 C ATOM 357 O ASP A 21 128.205 -1.613 5.986 1.00 1.26 O ATOM 358 CB ASP A 21 125.028 -1.307 4.822 1.00 1.76 C ATOM 359 CG ASP A 21 124.448 -2.644 5.288 1.00 2.21 C ATOM 360 OD1 ASP A 21 125.147 -3.358 5.989 1.00 2.74 O ATOM 361 OD2 ASP A 21 123.317 -2.932 4.935 1.00 2.76 O ATOM 0 H ASP A 21 124.743 0.972 5.607 1.00 1.44 H new ATOM 0 HA ASP A 21 125.853 -1.313 6.825 1.00 1.43 H new ATOM 0 HB2 ASP A 21 124.224 -0.597 4.629 1.00 1.76 H new ATOM 0 HB3 ASP A 21 125.568 -1.440 3.884 1.00 1.76 H new ATOM 366 N SER A 22 127.794 -0.063 4.477 1.00 1.03 N ATOM 367 CA SER A 22 129.205 -0.070 4.010 1.00 0.91 C ATOM 368 C SER A 22 130.106 0.382 5.160 1.00 0.85 C ATOM 369 O SER A 22 131.081 -0.261 5.482 1.00 0.89 O ATOM 370 CB SER A 22 129.252 0.933 2.858 1.00 0.82 C ATOM 371 OG SER A 22 129.330 0.229 1.626 1.00 1.64 O ATOM 0 H SER A 22 127.179 0.590 3.991 1.00 1.03 H new ATOM 0 HA SER A 22 129.544 -1.055 3.688 1.00 0.91 H new ATOM 0 HB2 SER A 22 128.364 1.564 2.874 1.00 0.82 H new ATOM 0 HB3 SER A 22 130.113 1.592 2.969 1.00 0.82 H new ATOM 0 HG SER A 22 129.359 0.869 0.885 1.00 1.64 H new ATOM 377 N PHE A 23 129.773 1.478 5.794 1.00 0.85 N ATOM 378 CA PHE A 23 130.598 1.956 6.936 1.00 0.87 C ATOM 379 C PHE A 23 130.851 0.790 7.889 1.00 0.89 C ATOM 380 O PHE A 23 131.973 0.373 8.093 1.00 0.90 O ATOM 381 CB PHE A 23 129.750 3.013 7.643 1.00 0.95 C ATOM 382 CG PHE A 23 129.800 4.335 6.911 1.00 1.01 C ATOM 383 CD1 PHE A 23 130.539 4.489 5.728 1.00 1.67 C ATOM 384 CD2 PHE A 23 129.086 5.421 7.426 1.00 1.61 C ATOM 385 CE1 PHE A 23 130.552 5.726 5.080 1.00 1.93 C ATOM 386 CE2 PHE A 23 129.099 6.649 6.771 1.00 1.84 C ATOM 387 CZ PHE A 23 129.830 6.801 5.598 1.00 1.66 C ATOM 0 H PHE A 23 128.966 2.059 5.568 1.00 0.85 H new ATOM 0 HA PHE A 23 131.558 2.356 6.611 1.00 0.87 H new ATOM 0 HB2 PHE A 23 128.718 2.670 7.709 1.00 0.95 H new ATOM 0 HB3 PHE A 23 130.107 3.146 8.664 1.00 0.95 H new ATOM 0 HD1 PHE A 23 131.094 3.656 5.321 1.00 1.67 H new ATOM 0 HD2 PHE A 23 128.520 5.306 8.339 1.00 1.61 H new ATOM 0 HE1 PHE A 23 131.124 5.851 4.173 1.00 1.93 H new ATOM 0 HE2 PHE A 23 128.542 7.482 7.173 1.00 1.84 H new ATOM 0 HZ PHE A 23 129.839 7.753 5.087 1.00 1.66 H new ATOM 397 N HIS A 24 129.807 0.257 8.474 1.00 0.97 N ATOM 398 CA HIS A 24 129.986 -0.889 9.413 1.00 1.05 C ATOM 399 C HIS A 24 130.997 -1.878 8.829 1.00 0.96 C ATOM 400 O HIS A 24 131.964 -2.241 9.467 1.00 0.98 O ATOM 401 CB HIS A 24 128.604 -1.533 9.528 1.00 1.21 C ATOM 402 CG HIS A 24 128.277 -1.764 10.979 1.00 1.53 C ATOM 403 ND1 HIS A 24 128.585 -2.950 11.626 1.00 1.98 N ATOM 404 CD2 HIS A 24 127.672 -0.969 11.920 1.00 2.05 C ATOM 405 CE1 HIS A 24 128.168 -2.836 12.901 1.00 2.27 C ATOM 406 NE2 HIS A 24 127.603 -1.648 13.133 1.00 2.31 N ATOM 0 H HIS A 24 128.844 0.565 8.342 1.00 0.97 H new ATOM 0 HA HIS A 24 130.364 -0.577 10.387 1.00 1.05 H new ATOM 0 HB2 HIS A 24 127.852 -0.889 9.073 1.00 1.21 H new ATOM 0 HB3 HIS A 24 128.585 -2.478 8.985 1.00 1.21 H new ATOM 0 HD2 HIS A 24 127.305 0.032 11.746 1.00 2.05 H new ATOM 0 HE1 HIS A 24 128.277 -3.611 13.646 1.00 2.27 H new ATOM 0 HE2 HIS A 24 127.206 -1.311 14.010 1.00 2.31 H new ATOM 414 N SER A 25 130.788 -2.301 7.613 1.00 0.96 N ATOM 415 CA SER A 25 131.748 -3.250 6.981 1.00 0.97 C ATOM 416 C SER A 25 133.074 -2.531 6.731 1.00 0.91 C ATOM 417 O SER A 25 134.136 -3.126 6.743 1.00 0.96 O ATOM 418 CB SER A 25 131.096 -3.647 5.657 1.00 1.11 C ATOM 419 OG SER A 25 130.406 -4.878 5.821 1.00 1.74 O ATOM 0 H SER A 25 129.996 -2.031 7.030 1.00 0.96 H new ATOM 0 HA SER A 25 131.957 -4.120 7.603 1.00 0.97 H new ATOM 0 HB2 SER A 25 130.404 -2.870 5.332 1.00 1.11 H new ATOM 0 HB3 SER A 25 131.854 -3.743 4.880 1.00 1.11 H new ATOM 0 HG SER A 25 129.986 -5.133 4.973 1.00 1.74 H new ATOM 425 N LEU A 26 133.011 -1.248 6.510 1.00 0.89 N ATOM 426 CA LEU A 26 134.250 -0.466 6.259 1.00 0.96 C ATOM 427 C LEU A 26 135.050 -0.339 7.558 1.00 0.94 C ATOM 428 O LEU A 26 136.250 -0.553 7.585 1.00 1.07 O ATOM 429 CB LEU A 26 133.754 0.896 5.766 1.00 1.05 C ATOM 430 CG LEU A 26 134.026 1.018 4.263 1.00 1.30 C ATOM 431 CD1 LEU A 26 132.774 1.537 3.556 1.00 1.74 C ATOM 432 CD2 LEU A 26 135.182 1.992 4.022 1.00 1.37 C ATOM 0 H LEU A 26 132.148 -0.705 6.493 1.00 0.89 H new ATOM 0 HA LEU A 26 134.914 -0.933 5.532 1.00 0.96 H new ATOM 0 HB2 LEU A 26 132.687 1.001 5.964 1.00 1.05 H new ATOM 0 HB3 LEU A 26 134.259 1.697 6.305 1.00 1.05 H new ATOM 0 HG LEU A 26 134.290 0.037 3.868 1.00 1.30 H new ATOM 0 HD11 LEU A 26 132.969 1.623 2.487 1.00 1.74 H new ATOM 0 HD12 LEU A 26 131.950 0.843 3.720 1.00 1.74 H new ATOM 0 HD13 LEU A 26 132.509 2.516 3.957 1.00 1.74 H new ATOM 0 HD21 LEU A 26 135.371 2.075 2.952 1.00 1.37 H new ATOM 0 HD22 LEU A 26 134.921 2.972 4.421 1.00 1.37 H new ATOM 0 HD23 LEU A 26 136.078 1.624 4.521 1.00 1.37 H new ATOM 444 N ARG A 27 134.398 -0.019 8.642 1.00 0.86 N ATOM 445 CA ARG A 27 135.133 0.087 9.930 1.00 0.94 C ATOM 446 C ARG A 27 135.807 -1.261 10.207 1.00 0.93 C ATOM 447 O ARG A 27 136.822 -1.344 10.868 1.00 1.10 O ATOM 448 CB ARG A 27 134.057 0.433 10.981 1.00 0.98 C ATOM 449 CG ARG A 27 133.785 -0.761 11.907 1.00 1.26 C ATOM 450 CD ARG A 27 132.442 -0.570 12.615 1.00 1.39 C ATOM 451 NE ARG A 27 132.760 -0.660 14.067 1.00 1.64 N ATOM 452 CZ ARG A 27 131.988 -1.348 14.864 1.00 1.63 C ATOM 453 NH1 ARG A 27 130.692 -1.225 14.784 1.00 1.82 N ATOM 454 NH2 ARG A 27 132.514 -2.159 15.741 1.00 2.26 N ATOM 0 H ARG A 27 133.397 0.172 8.690 1.00 0.86 H new ATOM 0 HA ARG A 27 135.917 0.845 9.935 1.00 0.94 H new ATOM 0 HB2 ARG A 27 134.383 1.289 11.572 1.00 0.98 H new ATOM 0 HB3 ARG A 27 133.135 0.725 10.479 1.00 0.98 H new ATOM 0 HG2 ARG A 27 133.774 -1.686 11.330 1.00 1.26 H new ATOM 0 HG3 ARG A 27 134.585 -0.853 12.642 1.00 1.26 H new ATOM 0 HD2 ARG A 27 131.998 0.394 12.367 1.00 1.39 H new ATOM 0 HD3 ARG A 27 131.726 -1.337 12.319 1.00 1.39 H new ATOM 0 HE ARG A 27 133.582 -0.184 14.439 1.00 1.64 H new ATOM 0 HH11 ARG A 27 130.281 -0.591 14.099 1.00 1.82 H new ATOM 0 HH12 ARG A 27 130.089 -1.763 15.407 1.00 1.82 H new ATOM 0 HH21 ARG A 27 133.528 -2.255 15.803 1.00 2.26 H new ATOM 0 HH22 ARG A 27 131.911 -2.697 16.364 1.00 2.26 H new ATOM 468 N ASP A 28 135.238 -2.315 9.685 1.00 0.89 N ATOM 469 CA ASP A 28 135.824 -3.667 9.888 1.00 0.93 C ATOM 470 C ASP A 28 137.107 -3.799 9.070 1.00 0.90 C ATOM 471 O ASP A 28 137.992 -4.560 9.406 1.00 1.02 O ATOM 472 CB ASP A 28 134.758 -4.638 9.378 1.00 1.02 C ATOM 473 CG ASP A 28 135.047 -6.041 9.912 1.00 1.53 C ATOM 474 OD1 ASP A 28 136.072 -6.211 10.550 1.00 2.29 O ATOM 475 OD2 ASP A 28 134.237 -6.923 9.674 1.00 2.00 O ATOM 0 H ASP A 28 134.387 -2.295 9.123 1.00 0.89 H new ATOM 0 HA ASP A 28 136.084 -3.861 10.929 1.00 0.93 H new ATOM 0 HB2 ASP A 28 133.769 -4.311 9.701 1.00 1.02 H new ATOM 0 HB3 ASP A 28 134.751 -4.647 8.288 1.00 1.02 H new ATOM 480 N SER A 29 137.228 -3.049 8.007 1.00 0.83 N ATOM 481 CA SER A 29 138.468 -3.126 7.194 1.00 0.86 C ATOM 482 C SER A 29 139.607 -2.488 7.982 1.00 0.88 C ATOM 483 O SER A 29 140.736 -2.935 7.933 1.00 0.94 O ATOM 484 CB SER A 29 138.172 -2.333 5.922 1.00 0.90 C ATOM 485 OG SER A 29 136.819 -2.546 5.541 1.00 1.44 O ATOM 0 H SER A 29 136.524 -2.391 7.671 1.00 0.83 H new ATOM 0 HA SER A 29 138.759 -4.149 6.954 1.00 0.86 H new ATOM 0 HB2 SER A 29 138.352 -1.271 6.091 1.00 0.90 H new ATOM 0 HB3 SER A 29 138.841 -2.646 5.121 1.00 0.90 H new ATOM 0 HG SER A 29 136.768 -3.309 4.928 1.00 1.44 H new ATOM 491 N VAL A 30 139.319 -1.444 8.722 1.00 0.87 N ATOM 492 CA VAL A 30 140.353 -0.787 9.514 1.00 0.94 C ATOM 493 C VAL A 30 140.090 -1.083 10.993 1.00 1.03 C ATOM 494 O VAL A 30 139.367 -0.364 11.652 1.00 1.09 O ATOM 495 CB VAL A 30 140.123 0.675 9.190 1.00 0.92 C ATOM 496 CG1 VAL A 30 140.747 1.529 10.265 1.00 1.30 C ATOM 497 CG2 VAL A 30 140.742 0.999 7.832 1.00 0.94 C ATOM 0 H VAL A 30 138.391 -1.028 8.798 1.00 0.87 H new ATOM 0 HA VAL A 30 141.375 -1.105 9.307 1.00 0.94 H new ATOM 0 HB VAL A 30 139.053 0.881 9.149 1.00 0.92 H new ATOM 0 HG11 VAL A 30 140.583 2.582 10.034 1.00 1.30 H new ATOM 0 HG12 VAL A 30 140.292 1.293 11.227 1.00 1.30 H new ATOM 0 HG13 VAL A 30 141.818 1.330 10.312 1.00 1.30 H new ATOM 0 HG21 VAL A 30 140.577 2.051 7.598 1.00 0.94 H new ATOM 0 HG22 VAL A 30 141.813 0.798 7.863 1.00 0.94 H new ATOM 0 HG23 VAL A 30 140.279 0.380 7.064 1.00 0.94 H new ATOM 667 N GLN A 42 134.075 7.665 9.646 1.00 1.30 N ATOM 668 CA GLN A 42 135.395 7.248 10.189 1.00 1.16 C ATOM 669 C GLN A 42 136.228 6.479 9.154 1.00 1.10 C ATOM 670 O GLN A 42 137.422 6.705 9.016 1.00 1.37 O ATOM 671 CB GLN A 42 135.052 6.358 11.377 1.00 1.29 C ATOM 672 CG GLN A 42 134.041 7.071 12.275 1.00 2.01 C ATOM 673 CD GLN A 42 133.671 6.158 13.443 1.00 2.19 C ATOM 674 OE1 GLN A 42 134.488 5.202 13.790 1.00 2.84 O flip ATOM 675 NE2 GLN A 42 132.628 6.315 14.047 1.00 2.21 N flip ATOM 0 HA GLN A 42 136.004 8.108 10.466 1.00 1.16 H new ATOM 0 HB2 GLN A 42 134.640 5.411 11.028 1.00 1.29 H new ATOM 0 HB3 GLN A 42 135.954 6.124 11.942 1.00 1.29 H new ATOM 0 HG2 GLN A 42 134.463 8.004 12.648 1.00 2.01 H new ATOM 0 HG3 GLN A 42 133.149 7.330 11.704 1.00 2.01 H new ATOM 0 HE21 GLN A 42 131.989 7.062 13.776 1.00 2.21 H new ATOM 0 HE22 GLN A 42 132.392 5.699 14.825 1.00 2.21 H new ATOM 684 N ILE A 43 135.643 5.568 8.422 1.00 0.94 N ATOM 685 CA ILE A 43 136.468 4.827 7.443 1.00 1.02 C ATOM 686 C ILE A 43 136.817 5.735 6.272 1.00 0.95 C ATOM 687 O ILE A 43 137.953 5.834 5.899 1.00 1.01 O ATOM 688 CB ILE A 43 135.640 3.625 6.988 1.00 1.18 C ATOM 689 CG1 ILE A 43 134.871 3.043 8.180 1.00 2.22 C ATOM 690 CG2 ILE A 43 136.594 2.559 6.438 1.00 1.33 C ATOM 691 CD1 ILE A 43 133.367 3.180 7.941 1.00 2.95 C ATOM 0 H ILE A 43 134.656 5.314 8.461 1.00 0.94 H new ATOM 0 HA ILE A 43 137.408 4.491 7.881 1.00 1.02 H new ATOM 0 HB ILE A 43 134.930 3.934 6.221 1.00 1.18 H new ATOM 0 HG12 ILE A 43 135.133 1.994 8.317 1.00 2.22 H new ATOM 0 HG13 ILE A 43 135.152 3.564 9.095 1.00 2.22 H new ATOM 0 HG21 ILE A 43 136.020 1.693 6.108 1.00 1.33 H new ATOM 0 HG22 ILE A 43 137.150 2.969 5.595 1.00 1.33 H new ATOM 0 HG23 ILE A 43 137.291 2.256 7.220 1.00 1.33 H new ATOM 0 HD11 ILE A 43 132.824 2.765 8.790 1.00 2.95 H new ATOM 0 HD12 ILE A 43 133.111 4.233 7.826 1.00 2.95 H new ATOM 0 HD13 ILE A 43 133.092 2.639 7.036 1.00 2.95 H new ATOM 703 N LEU A 44 135.859 6.412 5.699 1.00 0.95 N ATOM 704 CA LEU A 44 136.175 7.320 4.548 1.00 1.07 C ATOM 705 C LEU A 44 137.535 7.973 4.767 1.00 1.01 C ATOM 706 O LEU A 44 138.362 8.037 3.875 1.00 0.96 O ATOM 707 CB LEU A 44 135.071 8.369 4.544 1.00 1.43 C ATOM 708 CG LEU A 44 133.893 7.848 3.726 1.00 0.94 C ATOM 709 CD1 LEU A 44 133.415 6.524 4.307 1.00 1.42 C ATOM 710 CD2 LEU A 44 132.755 8.850 3.796 1.00 1.24 C ATOM 0 H LEU A 44 134.877 6.380 5.972 1.00 0.95 H new ATOM 0 HA LEU A 44 136.220 6.786 3.599 1.00 1.07 H new ATOM 0 HB2 LEU A 44 134.754 8.586 5.564 1.00 1.43 H new ATOM 0 HB3 LEU A 44 135.440 9.303 4.120 1.00 1.43 H new ATOM 0 HG LEU A 44 134.206 7.706 2.692 1.00 0.94 H new ATOM 0 HD11 LEU A 44 132.574 6.153 3.722 1.00 1.42 H new ATOM 0 HD12 LEU A 44 134.228 5.798 4.275 1.00 1.42 H new ATOM 0 HD13 LEU A 44 133.101 6.672 5.340 1.00 1.42 H new ATOM 0 HD21 LEU A 44 131.910 8.483 3.213 1.00 1.24 H new ATOM 0 HD22 LEU A 44 132.450 8.982 4.834 1.00 1.24 H new ATOM 0 HD23 LEU A 44 133.087 9.806 3.391 1.00 1.24 H new ATOM 722 N ASP A 45 137.786 8.418 5.966 1.00 1.09 N ATOM 723 CA ASP A 45 139.104 9.026 6.269 1.00 1.15 C ATOM 724 C ASP A 45 140.188 7.968 6.064 1.00 1.00 C ATOM 725 O ASP A 45 141.153 8.182 5.359 1.00 0.93 O ATOM 726 CB ASP A 45 139.020 9.443 7.737 1.00 1.37 C ATOM 727 CG ASP A 45 139.629 10.835 7.907 1.00 1.59 C ATOM 728 OD1 ASP A 45 140.516 11.170 7.139 1.00 2.29 O ATOM 729 OD2 ASP A 45 139.198 11.544 8.802 1.00 1.77 O ATOM 0 H ASP A 45 137.132 8.385 6.748 1.00 1.09 H new ATOM 0 HA ASP A 45 139.345 9.876 5.631 1.00 1.15 H new ATOM 0 HB2 ASP A 45 137.981 9.446 8.066 1.00 1.37 H new ATOM 0 HB3 ASP A 45 139.550 8.724 8.361 1.00 1.37 H new ATOM 734 N LYS A 46 140.025 6.814 6.661 1.00 1.02 N ATOM 735 CA LYS A 46 141.045 5.736 6.479 1.00 0.96 C ATOM 736 C LYS A 46 140.808 5.002 5.147 1.00 0.84 C ATOM 737 O LYS A 46 141.706 4.863 4.342 1.00 0.89 O ATOM 738 CB LYS A 46 140.845 4.796 7.668 1.00 1.02 C ATOM 739 CG LYS A 46 140.931 5.597 8.971 1.00 1.54 C ATOM 740 CD LYS A 46 142.252 6.371 9.012 1.00 1.67 C ATOM 741 CE LYS A 46 142.298 7.241 10.272 1.00 2.59 C ATOM 742 NZ LYS A 46 143.057 8.458 9.871 1.00 2.66 N ATOM 0 H LYS A 46 139.237 6.573 7.262 1.00 1.02 H new ATOM 0 HA LYS A 46 142.062 6.126 6.443 1.00 0.96 H new ATOM 0 HB2 LYS A 46 139.876 4.302 7.596 1.00 1.02 H new ATOM 0 HB3 LYS A 46 141.604 4.014 7.659 1.00 1.02 H new ATOM 0 HG2 LYS A 46 140.091 6.288 9.041 1.00 1.54 H new ATOM 0 HG3 LYS A 46 140.864 4.926 9.827 1.00 1.54 H new ATOM 0 HD2 LYS A 46 143.092 5.677 9.006 1.00 1.67 H new ATOM 0 HD3 LYS A 46 142.348 6.995 8.123 1.00 1.67 H new ATOM 0 HE2 LYS A 46 141.294 7.496 10.613 1.00 2.59 H new ATOM 0 HE3 LYS A 46 142.791 6.721 11.093 1.00 2.59 H new ATOM 0 HZ1 LYS A 46 143.131 9.104 10.683 1.00 2.66 H new ATOM 0 HZ2 LYS A 46 144.010 8.185 9.558 1.00 2.66 H new ATOM 0 HZ3 LYS A 46 142.560 8.936 9.092 1.00 2.66 H new ATOM 756 N ALA A 47 139.599 4.546 4.922 1.00 0.73 N ATOM 757 CA ALA A 47 139.248 3.829 3.653 1.00 0.69 C ATOM 758 C ALA A 47 140.089 4.348 2.481 1.00 0.70 C ATOM 759 O ALA A 47 140.773 3.594 1.813 1.00 0.70 O ATOM 760 CB ALA A 47 137.749 4.134 3.417 1.00 0.69 C ATOM 0 H ALA A 47 138.824 4.642 5.578 1.00 0.73 H new ATOM 0 HA ALA A 47 139.444 2.759 3.727 1.00 0.69 H new ATOM 0 HB1 ALA A 47 137.417 3.642 2.503 1.00 0.69 H new ATOM 0 HB2 ALA A 47 137.165 3.765 4.260 1.00 0.69 H new ATOM 0 HB3 ALA A 47 137.607 5.211 3.321 1.00 0.69 H new ATOM 766 N THR A 48 140.044 5.626 2.216 1.00 0.83 N ATOM 767 CA THR A 48 140.840 6.164 1.076 1.00 0.92 C ATOM 768 C THR A 48 142.310 6.350 1.475 1.00 0.83 C ATOM 769 O THR A 48 143.197 5.863 0.803 1.00 0.79 O ATOM 770 CB THR A 48 140.155 7.490 0.700 1.00 1.17 C ATOM 771 OG1 THR A 48 139.586 7.347 -0.590 1.00 1.76 O ATOM 772 CG2 THR A 48 141.155 8.654 0.678 1.00 1.36 C ATOM 0 H THR A 48 139.497 6.314 2.733 1.00 0.83 H new ATOM 0 HA THR A 48 140.863 5.485 0.224 1.00 0.92 H new ATOM 0 HB THR A 48 139.393 7.714 1.446 1.00 1.17 H new ATOM 0 HG1 THR A 48 139.507 6.395 -0.809 1.00 1.76 H new ATOM 0 HG21 THR A 48 140.636 9.574 0.409 1.00 1.36 H new ATOM 0 HG22 THR A 48 141.605 8.766 1.665 1.00 1.36 H new ATOM 0 HG23 THR A 48 141.935 8.449 -0.055 1.00 1.36 H new ATOM 780 N GLU A 49 142.584 7.043 2.551 1.00 0.88 N ATOM 781 CA GLU A 49 144.012 7.226 2.946 1.00 0.90 C ATOM 782 C GLU A 49 144.732 5.880 2.834 1.00 0.77 C ATOM 783 O GLU A 49 145.910 5.810 2.549 1.00 0.83 O ATOM 784 CB GLU A 49 143.982 7.748 4.393 1.00 1.04 C ATOM 785 CG GLU A 49 144.084 6.589 5.391 1.00 1.34 C ATOM 786 CD GLU A 49 145.548 6.164 5.528 1.00 1.68 C ATOM 787 OE1 GLU A 49 146.363 6.665 4.771 1.00 2.01 O ATOM 788 OE2 GLU A 49 145.828 5.344 6.387 1.00 2.26 O ATOM 0 H GLU A 49 141.895 7.482 3.162 1.00 0.88 H new ATOM 0 HA GLU A 49 144.548 7.928 2.307 1.00 0.90 H new ATOM 0 HB2 GLU A 49 144.806 8.444 4.551 1.00 1.04 H new ATOM 0 HB3 GLU A 49 143.060 8.302 4.565 1.00 1.04 H new ATOM 0 HG2 GLU A 49 143.690 6.894 6.361 1.00 1.34 H new ATOM 0 HG3 GLU A 49 143.480 5.748 5.051 1.00 1.34 H new ATOM 795 N TYR A 50 144.011 4.809 3.033 1.00 0.67 N ATOM 796 CA TYR A 50 144.626 3.460 2.913 1.00 0.64 C ATOM 797 C TYR A 50 144.882 3.158 1.436 1.00 0.62 C ATOM 798 O TYR A 50 145.955 2.739 1.052 1.00 0.64 O ATOM 799 CB TYR A 50 143.583 2.497 3.483 1.00 0.65 C ATOM 800 CG TYR A 50 143.924 2.171 4.916 1.00 0.93 C ATOM 801 CD1 TYR A 50 143.637 3.092 5.930 1.00 1.72 C ATOM 802 CD2 TYR A 50 144.524 0.946 5.232 1.00 1.38 C ATOM 803 CE1 TYR A 50 143.953 2.790 7.260 1.00 2.07 C ATOM 804 CE2 TYR A 50 144.839 0.644 6.561 1.00 1.72 C ATOM 805 CZ TYR A 50 144.553 1.565 7.576 1.00 1.79 C ATOM 806 OH TYR A 50 144.864 1.267 8.887 1.00 2.26 O ATOM 0 H TYR A 50 143.020 4.813 3.274 1.00 0.67 H new ATOM 0 HA TYR A 50 145.577 3.378 3.439 1.00 0.64 H new ATOM 0 HB2 TYR A 50 142.591 2.945 3.428 1.00 0.65 H new ATOM 0 HB3 TYR A 50 143.554 1.584 2.889 1.00 0.65 H new ATOM 0 HD1 TYR A 50 143.172 4.036 5.686 1.00 1.72 H new ATOM 0 HD2 TYR A 50 144.744 0.234 4.450 1.00 1.38 H new ATOM 0 HE1 TYR A 50 143.734 3.502 8.042 1.00 2.07 H new ATOM 0 HE2 TYR A 50 145.303 -0.300 6.804 1.00 1.72 H new ATOM 0 HH TYR A 50 145.274 0.378 8.932 1.00 2.26 H new ATOM 816 N ILE A 51 143.900 3.383 0.603 1.00 0.65 N ATOM 817 CA ILE A 51 144.083 3.123 -0.854 1.00 0.67 C ATOM 818 C ILE A 51 145.283 3.913 -1.379 1.00 0.66 C ATOM 819 O ILE A 51 146.298 3.352 -1.742 1.00 0.65 O ATOM 820 CB ILE A 51 142.797 3.623 -1.510 1.00 0.76 C ATOM 821 CG1 ILE A 51 141.628 2.732 -1.092 1.00 0.88 C ATOM 822 CG2 ILE A 51 142.948 3.578 -3.032 1.00 0.82 C ATOM 823 CD1 ILE A 51 140.340 3.272 -1.713 1.00 0.73 C ATOM 0 H ILE A 51 142.980 3.735 0.869 1.00 0.65 H new ATOM 0 HA ILE A 51 144.269 2.070 -1.065 1.00 0.67 H new ATOM 0 HB ILE A 51 142.606 4.648 -1.192 1.00 0.76 H new ATOM 0 HG12 ILE A 51 141.802 1.707 -1.418 1.00 0.88 H new ATOM 0 HG13 ILE A 51 141.541 2.711 -0.006 1.00 0.88 H new ATOM 0 HG21 ILE A 51 142.030 3.935 -3.499 1.00 0.82 H new ATOM 0 HG22 ILE A 51 143.780 4.214 -3.334 1.00 0.82 H new ATOM 0 HG23 ILE A 51 143.141 2.553 -3.348 1.00 0.82 H new ATOM 0 HD11 ILE A 51 139.502 2.641 -1.419 1.00 0.73 H new ATOM 0 HD12 ILE A 51 140.167 4.290 -1.365 1.00 0.73 H new ATOM 0 HD13 ILE A 51 140.431 3.271 -2.799 1.00 0.73 H new ATOM 835 N GLN A 52 145.171 5.214 -1.421 1.00 0.77 N ATOM 836 CA GLN A 52 146.302 6.047 -1.921 1.00 0.82 C ATOM 837 C GLN A 52 147.628 5.517 -1.372 1.00 0.73 C ATOM 838 O GLN A 52 148.514 5.142 -2.114 1.00 0.71 O ATOM 839 CB GLN A 52 146.023 7.453 -1.386 1.00 1.02 C ATOM 840 CG GLN A 52 144.658 7.930 -1.885 1.00 1.19 C ATOM 841 CD GLN A 52 144.551 9.446 -1.707 1.00 1.68 C ATOM 842 OE1 GLN A 52 145.364 10.050 -1.036 1.00 2.44 O ATOM 843 NE2 GLN A 52 143.575 10.092 -2.285 1.00 2.11 N ATOM 0 H GLN A 52 144.344 5.736 -1.130 1.00 0.77 H new ATOM 0 HA GLN A 52 146.379 6.033 -3.008 1.00 0.82 H new ATOM 0 HB2 GLN A 52 146.042 7.449 -0.296 1.00 1.02 H new ATOM 0 HB3 GLN A 52 146.802 8.140 -1.716 1.00 1.02 H new ATOM 0 HG2 GLN A 52 144.530 7.666 -2.935 1.00 1.19 H new ATOM 0 HG3 GLN A 52 143.862 7.431 -1.332 1.00 1.19 H new ATOM 0 HE21 GLN A 52 142.892 9.586 -2.849 1.00 2.11 H new ATOM 0 HE22 GLN A 52 143.496 11.103 -2.173 1.00 2.11 H new ATOM 852 N TYR A 53 147.770 5.482 -0.076 1.00 0.75 N ATOM 853 CA TYR A 53 149.038 4.974 0.523 1.00 0.76 C ATOM 854 C TYR A 53 149.322 3.552 0.029 1.00 0.68 C ATOM 855 O TYR A 53 150.228 3.324 -0.747 1.00 0.79 O ATOM 856 CB TYR A 53 148.790 4.985 2.034 1.00 0.87 C ATOM 857 CG TYR A 53 149.804 4.104 2.724 1.00 0.96 C ATOM 858 CD1 TYR A 53 151.099 4.580 2.965 1.00 1.62 C ATOM 859 CD2 TYR A 53 149.450 2.809 3.121 1.00 1.50 C ATOM 860 CE1 TYR A 53 152.037 3.762 3.605 1.00 1.73 C ATOM 861 CE2 TYR A 53 150.388 1.990 3.760 1.00 1.56 C ATOM 862 CZ TYR A 53 151.683 2.466 4.001 1.00 1.22 C ATOM 863 OH TYR A 53 152.608 1.660 4.632 1.00 1.38 O ATOM 0 H TYR A 53 147.063 5.783 0.595 1.00 0.75 H new ATOM 0 HA TYR A 53 149.901 5.580 0.249 1.00 0.76 H new ATOM 0 HB2 TYR A 53 148.859 6.004 2.416 1.00 0.87 H new ATOM 0 HB3 TYR A 53 147.781 4.632 2.249 1.00 0.87 H new ATOM 0 HD1 TYR A 53 151.374 5.578 2.657 1.00 1.62 H new ATOM 0 HD2 TYR A 53 148.452 2.441 2.934 1.00 1.50 H new ATOM 0 HE1 TYR A 53 153.035 4.130 3.794 1.00 1.73 H new ATOM 0 HE2 TYR A 53 150.113 0.992 4.067 1.00 1.56 H new ATOM 0 HH TYR A 53 152.199 0.794 4.840 1.00 1.38 H new ATOM 873 N MET A 54 148.556 2.594 0.476 1.00 0.59 N ATOM 874 CA MET A 54 148.786 1.187 0.035 1.00 0.60 C ATOM 875 C MET A 54 148.966 1.129 -1.485 1.00 0.56 C ATOM 876 O MET A 54 149.973 0.664 -1.981 1.00 0.57 O ATOM 877 CB MET A 54 147.527 0.427 0.455 1.00 0.68 C ATOM 878 CG MET A 54 147.517 0.256 1.975 1.00 0.77 C ATOM 879 SD MET A 54 146.874 -1.384 2.393 1.00 1.40 S ATOM 880 CE MET A 54 147.956 -1.698 3.809 1.00 0.80 C ATOM 0 H MET A 54 147.781 2.724 1.127 1.00 0.59 H new ATOM 0 HA MET A 54 149.686 0.760 0.477 1.00 0.60 H new ATOM 0 HB2 MET A 54 146.638 0.969 0.134 1.00 0.68 H new ATOM 0 HB3 MET A 54 147.499 -0.548 -0.031 1.00 0.68 H new ATOM 0 HG2 MET A 54 148.525 0.375 2.372 1.00 0.77 H new ATOM 0 HG3 MET A 54 146.900 1.028 2.435 1.00 0.77 H new ATOM 0 HE1 MET A 54 147.401 -2.233 4.579 1.00 0.80 H new ATOM 0 HE2 MET A 54 148.807 -2.300 3.490 1.00 0.80 H new ATOM 0 HE3 MET A 54 148.313 -0.750 4.211 1.00 0.80 H new ATOM 890 N ARG A 55 147.999 1.597 -2.228 1.00 0.56 N ATOM 891 CA ARG A 55 148.121 1.565 -3.714 1.00 0.56 C ATOM 892 C ARG A 55 149.529 1.995 -4.134 1.00 0.58 C ATOM 893 O ARG A 55 150.271 1.233 -4.720 1.00 0.58 O ATOM 894 CB ARG A 55 147.080 2.562 -4.224 1.00 0.60 C ATOM 895 CG ARG A 55 146.804 2.298 -5.706 1.00 1.27 C ATOM 896 CD ARG A 55 147.884 2.972 -6.555 1.00 1.63 C ATOM 897 NE ARG A 55 147.330 2.992 -7.937 1.00 1.73 N ATOM 898 CZ ARG A 55 148.131 3.116 -8.960 1.00 2.04 C ATOM 899 NH1 ARG A 55 149.116 3.970 -8.917 1.00 2.56 N ATOM 900 NH2 ARG A 55 147.947 2.386 -10.026 1.00 2.60 N ATOM 0 H ARG A 55 147.132 1.999 -1.871 1.00 0.56 H new ATOM 0 HA ARG A 55 147.957 0.567 -4.120 1.00 0.56 H new ATOM 0 HB2 ARG A 55 146.159 2.468 -3.649 1.00 0.60 H new ATOM 0 HB3 ARG A 55 147.439 3.582 -4.086 1.00 0.60 H new ATOM 0 HG2 ARG A 55 146.792 1.225 -5.899 1.00 1.27 H new ATOM 0 HG3 ARG A 55 145.821 2.682 -5.978 1.00 1.27 H new ATOM 0 HD2 ARG A 55 148.094 3.981 -6.199 1.00 1.63 H new ATOM 0 HD3 ARG A 55 148.822 2.418 -6.514 1.00 1.63 H new ATOM 0 HE ARG A 55 146.324 2.909 -8.084 1.00 1.73 H new ATOM 0 HH11 ARG A 55 149.260 4.541 -8.084 1.00 2.56 H new ATOM 0 HH12 ARG A 55 149.742 4.067 -9.716 1.00 2.56 H new ATOM 0 HH21 ARG A 55 147.177 1.718 -10.060 1.00 2.60 H new ATOM 0 HH22 ARG A 55 148.573 2.483 -10.825 1.00 2.60 H new ATOM 914 N ARG A 56 149.905 3.207 -3.832 1.00 0.66 N ATOM 915 CA ARG A 56 151.269 3.677 -4.210 1.00 0.71 C ATOM 916 C ARG A 56 152.317 2.676 -3.717 1.00 0.68 C ATOM 917 O ARG A 56 153.345 2.482 -4.335 1.00 0.67 O ATOM 918 CB ARG A 56 151.436 5.023 -3.504 1.00 0.83 C ATOM 919 CG ARG A 56 151.257 6.156 -4.517 1.00 1.14 C ATOM 920 CD ARG A 56 152.559 6.355 -5.297 1.00 1.31 C ATOM 921 NE ARG A 56 153.441 7.130 -4.381 1.00 1.33 N ATOM 922 CZ ARG A 56 153.210 8.396 -4.169 1.00 1.82 C ATOM 923 NH1 ARG A 56 153.682 9.292 -4.992 1.00 2.36 N ATOM 924 NH2 ARG A 56 152.507 8.767 -3.133 1.00 2.46 N ATOM 0 H ARG A 56 149.329 3.891 -3.341 1.00 0.66 H new ATOM 0 HA ARG A 56 151.395 3.769 -5.289 1.00 0.71 H new ATOM 0 HB2 ARG A 56 150.704 5.119 -2.702 1.00 0.83 H new ATOM 0 HB3 ARG A 56 152.422 5.085 -3.044 1.00 0.83 H new ATOM 0 HG2 ARG A 56 150.443 5.920 -5.202 1.00 1.14 H new ATOM 0 HG3 ARG A 56 150.984 7.078 -4.003 1.00 1.14 H new ATOM 0 HD2 ARG A 56 153.009 5.399 -5.564 1.00 1.31 H new ATOM 0 HD3 ARG A 56 152.383 6.895 -6.227 1.00 1.31 H new ATOM 0 HE ARG A 56 154.226 6.671 -3.919 1.00 1.33 H new ATOM 0 HH11 ARG A 56 154.232 9.002 -5.801 1.00 2.36 H new ATOM 0 HH12 ARG A 56 153.501 10.282 -4.826 1.00 2.36 H new ATOM 0 HH21 ARG A 56 152.138 8.067 -2.489 1.00 2.46 H new ATOM 0 HH22 ARG A 56 152.326 9.757 -2.967 1.00 2.46 H new ATOM 938 N LYS A 57 152.061 2.037 -2.607 1.00 0.72 N ATOM 939 CA LYS A 57 153.038 1.046 -2.074 1.00 0.75 C ATOM 940 C LYS A 57 152.972 -0.247 -2.892 1.00 0.71 C ATOM 941 O LYS A 57 153.957 -0.695 -3.442 1.00 0.71 O ATOM 942 CB LYS A 57 152.596 0.791 -0.632 1.00 0.83 C ATOM 943 CG LYS A 57 153.643 1.352 0.332 1.00 1.10 C ATOM 944 CD LYS A 57 153.814 2.852 0.086 1.00 1.27 C ATOM 945 CE LYS A 57 155.266 3.252 0.355 1.00 1.77 C ATOM 946 NZ LYS A 57 155.334 3.488 1.824 1.00 2.36 N ATOM 0 H LYS A 57 151.217 2.159 -2.047 1.00 0.72 H new ATOM 0 HA LYS A 57 154.065 1.406 -2.127 1.00 0.75 H new ATOM 0 HB2 LYS A 57 151.630 1.261 -0.449 1.00 0.83 H new ATOM 0 HB3 LYS A 57 152.468 -0.278 -0.464 1.00 0.83 H new ATOM 0 HG2 LYS A 57 153.335 1.175 1.363 1.00 1.10 H new ATOM 0 HG3 LYS A 57 154.594 0.839 0.191 1.00 1.10 H new ATOM 0 HD2 LYS A 57 153.543 3.096 -0.941 1.00 1.27 H new ATOM 0 HD3 LYS A 57 153.144 3.416 0.735 1.00 1.27 H new ATOM 0 HE2 LYS A 57 155.955 2.465 0.049 1.00 1.77 H new ATOM 0 HE3 LYS A 57 155.538 4.149 -0.202 1.00 1.77 H new ATOM 0 HZ1 LYS A 57 156.301 3.767 2.086 1.00 2.36 H new ATOM 0 HZ2 LYS A 57 154.672 4.247 2.085 1.00 2.36 H new ATOM 0 HZ3 LYS A 57 155.076 2.616 2.328 1.00 2.36 H new ATOM 960 N VAL A 58 151.816 -0.848 -2.977 1.00 0.72 N ATOM 961 CA VAL A 58 151.687 -2.109 -3.763 1.00 0.73 C ATOM 962 C VAL A 58 152.420 -1.972 -5.099 1.00 0.68 C ATOM 963 O VAL A 58 153.159 -2.846 -5.506 1.00 0.68 O ATOM 964 CB VAL A 58 150.185 -2.282 -3.987 1.00 0.79 C ATOM 965 CG1 VAL A 58 149.932 -3.555 -4.797 1.00 1.40 C ATOM 966 CG2 VAL A 58 149.479 -2.392 -2.634 1.00 1.36 C ATOM 0 H VAL A 58 150.956 -0.521 -2.537 1.00 0.72 H new ATOM 0 HA VAL A 58 152.122 -2.966 -3.249 1.00 0.73 H new ATOM 0 HB VAL A 58 149.798 -1.422 -4.533 1.00 0.79 H new ATOM 0 HG11 VAL A 58 148.861 -3.678 -4.956 1.00 1.40 H new ATOM 0 HG12 VAL A 58 150.436 -3.479 -5.761 1.00 1.40 H new ATOM 0 HG13 VAL A 58 150.319 -4.416 -4.252 1.00 1.40 H new ATOM 0 HG21 VAL A 58 148.408 -2.515 -2.792 1.00 1.36 H new ATOM 0 HG22 VAL A 58 149.867 -3.253 -2.090 1.00 1.36 H new ATOM 0 HG23 VAL A 58 149.659 -1.486 -2.055 1.00 1.36 H new ATOM 976 N HIS A 59 152.224 -0.878 -5.783 1.00 0.69 N ATOM 977 CA HIS A 59 152.912 -0.681 -7.091 1.00 0.67 C ATOM 978 C HIS A 59 154.430 -0.701 -6.894 1.00 0.61 C ATOM 979 O HIS A 59 155.137 -1.470 -7.513 1.00 0.61 O ATOM 980 CB HIS A 59 152.452 0.694 -7.576 1.00 0.71 C ATOM 981 CG HIS A 59 151.967 0.591 -8.996 1.00 1.06 C ATOM 982 ND1 HIS A 59 151.000 1.279 -9.686 1.00 1.76 N flip ATOM 983 CD2 HIS A 59 152.498 -0.320 -9.895 1.00 1.80 C flip ATOM 984 CE1 HIS A 59 150.931 0.805 -10.993 1.00 2.09 C flip ATOM 985 NE2 HIS A 59 151.854 -0.157 -11.065 1.00 2.12 N flip ATOM 0 H HIS A 59 151.617 -0.112 -5.493 1.00 0.69 H new ATOM 0 HA HIS A 59 152.673 -1.466 -7.808 1.00 0.67 H new ATOM 0 HB2 HIS A 59 151.654 1.069 -6.935 1.00 0.71 H new ATOM 0 HB3 HIS A 59 153.274 1.407 -7.512 1.00 0.71 H new ATOM 0 HD2 HIS A 59 153.285 -1.031 -9.693 1.00 1.80 H new ATOM 0 HE1 HIS A 59 150.273 1.143 -11.780 1.00 2.09 H new ATOM 0 HE2 HIS A 59 152.047 -0.702 -11.905 1.00 2.12 H new ATOM 993 N THR A 60 154.934 0.140 -6.032 1.00 0.59 N ATOM 994 CA THR A 60 156.405 0.172 -5.791 1.00 0.56 C ATOM 995 C THR A 60 156.874 -1.164 -5.211 1.00 0.52 C ATOM 996 O THR A 60 157.898 -1.694 -5.595 1.00 0.51 O ATOM 997 CB THR A 60 156.613 1.298 -4.777 1.00 0.59 C ATOM 998 OG1 THR A 60 155.610 1.220 -3.775 1.00 1.35 O ATOM 999 CG2 THR A 60 156.526 2.650 -5.487 1.00 1.29 C ATOM 0 H THR A 60 154.390 0.807 -5.484 1.00 0.59 H new ATOM 0 HA THR A 60 156.971 0.337 -6.708 1.00 0.56 H new ATOM 0 HB THR A 60 157.596 1.197 -4.316 1.00 0.59 H new ATOM 0 HG1 THR A 60 154.937 1.915 -3.931 1.00 1.35 H new ATOM 0 HG21 THR A 60 156.674 3.451 -4.763 1.00 1.29 H new ATOM 0 HG22 THR A 60 157.297 2.708 -6.255 1.00 1.29 H new ATOM 0 HG23 THR A 60 155.545 2.756 -5.949 1.00 1.29 H new ATOM 1007 N LEU A 61 156.132 -1.712 -4.289 1.00 0.55 N ATOM 1008 CA LEU A 61 156.534 -3.013 -3.683 1.00 0.54 C ATOM 1009 C LEU A 61 156.591 -4.101 -4.758 1.00 0.53 C ATOM 1010 O LEU A 61 157.626 -4.686 -5.007 1.00 0.51 O ATOM 1011 CB LEU A 61 155.443 -3.328 -2.659 1.00 0.63 C ATOM 1012 CG LEU A 61 155.649 -2.466 -1.412 1.00 0.67 C ATOM 1013 CD1 LEU A 61 154.394 -2.520 -0.540 1.00 0.76 C ATOM 1014 CD2 LEU A 61 156.844 -2.997 -0.618 1.00 0.80 C ATOM 0 H LEU A 61 155.264 -1.315 -3.929 1.00 0.55 H new ATOM 0 HA LEU A 61 157.522 -2.967 -3.224 1.00 0.54 H new ATOM 0 HB2 LEU A 61 154.460 -3.136 -3.089 1.00 0.63 H new ATOM 0 HB3 LEU A 61 155.473 -4.385 -2.393 1.00 0.63 H new ATOM 0 HG LEU A 61 155.839 -1.435 -1.711 1.00 0.67 H new ATOM 0 HD11 LEU A 61 154.541 -1.906 0.348 1.00 0.76 H new ATOM 0 HD12 LEU A 61 153.542 -2.142 -1.105 1.00 0.76 H new ATOM 0 HD13 LEU A 61 154.203 -3.551 -0.241 1.00 0.76 H new ATOM 0 HD21 LEU A 61 156.992 -2.384 0.271 1.00 0.80 H new ATOM 0 HD22 LEU A 61 156.654 -4.028 -0.320 1.00 0.80 H new ATOM 0 HD23 LEU A 61 157.739 -2.958 -1.239 1.00 0.80 H new ATOM 1026 N GLN A 62 155.485 -4.375 -5.396 1.00 0.57 N ATOM 1027 CA GLN A 62 155.472 -5.427 -6.454 1.00 0.61 C ATOM 1028 C GLN A 62 156.719 -5.313 -7.335 1.00 0.59 C ATOM 1029 O GLN A 62 157.535 -6.209 -7.389 1.00 0.64 O ATOM 1030 CB GLN A 62 154.212 -5.148 -7.274 1.00 0.68 C ATOM 1031 CG GLN A 62 153.145 -6.197 -6.951 1.00 0.76 C ATOM 1032 CD GLN A 62 152.161 -6.300 -8.118 1.00 1.04 C ATOM 1033 OE1 GLN A 62 150.988 -6.022 -7.965 1.00 1.85 O ATOM 1034 NE2 GLN A 62 152.591 -6.690 -9.286 1.00 1.12 N ATOM 0 H GLN A 62 154.589 -3.916 -5.230 1.00 0.57 H new ATOM 0 HA GLN A 62 155.473 -6.432 -6.033 1.00 0.61 H new ATOM 0 HB2 GLN A 62 153.834 -4.150 -7.051 1.00 0.68 H new ATOM 0 HB3 GLN A 62 154.447 -5.169 -8.338 1.00 0.68 H new ATOM 0 HG2 GLN A 62 153.614 -7.164 -6.770 1.00 0.76 H new ATOM 0 HG3 GLN A 62 152.616 -5.924 -6.038 1.00 0.76 H new ATOM 0 HE21 GLN A 62 153.575 -6.923 -9.415 1.00 1.12 H new ATOM 0 HE22 GLN A 62 151.943 -6.761 -10.070 1.00 1.12 H new ATOM 1043 N GLN A 63 156.870 -4.220 -8.030 1.00 0.56 N ATOM 1044 CA GLN A 63 158.064 -4.055 -8.909 1.00 0.59 C ATOM 1045 C GLN A 63 159.325 -4.532 -8.182 1.00 0.56 C ATOM 1046 O GLN A 63 160.220 -5.098 -8.777 1.00 0.56 O ATOM 1047 CB GLN A 63 158.142 -2.554 -9.193 1.00 0.61 C ATOM 1048 CG GLN A 63 157.027 -2.159 -10.162 1.00 0.95 C ATOM 1049 CD GLN A 63 157.067 -3.074 -11.388 1.00 1.41 C ATOM 1050 OE1 GLN A 63 157.989 -3.011 -12.177 1.00 1.75 O ATOM 1051 NE2 GLN A 63 156.100 -3.928 -11.581 1.00 1.72 N ATOM 0 H GLN A 63 156.220 -3.434 -8.028 1.00 0.56 H new ATOM 0 HA GLN A 63 157.987 -4.639 -9.826 1.00 0.59 H new ATOM 0 HB2 GLN A 63 158.047 -1.992 -8.264 1.00 0.61 H new ATOM 0 HB3 GLN A 63 159.114 -2.304 -9.619 1.00 0.61 H new ATOM 0 HG2 GLN A 63 156.058 -2.236 -9.669 1.00 0.95 H new ATOM 0 HG3 GLN A 63 157.147 -1.119 -10.467 1.00 0.95 H new ATOM 0 HE21 GLN A 63 155.326 -3.981 -10.918 1.00 1.72 H new ATOM 0 HE22 GLN A 63 156.118 -4.543 -12.394 1.00 1.72 H new ATOM 1060 N ASP A 64 159.402 -4.307 -6.898 1.00 0.55 N ATOM 1061 CA ASP A 64 160.604 -4.748 -6.134 1.00 0.54 C ATOM 1062 C ASP A 64 160.588 -6.269 -5.956 1.00 0.50 C ATOM 1063 O ASP A 64 161.610 -6.892 -5.744 1.00 0.51 O ATOM 1064 CB ASP A 64 160.490 -4.049 -4.779 1.00 0.53 C ATOM 1065 CG ASP A 64 160.259 -2.552 -4.994 1.00 0.79 C ATOM 1066 OD1 ASP A 64 160.453 -2.097 -6.110 1.00 1.21 O ATOM 1067 OD2 ASP A 64 159.893 -1.886 -4.040 1.00 1.43 O ATOM 0 H ASP A 64 158.685 -3.837 -6.345 1.00 0.55 H new ATOM 0 HA ASP A 64 161.534 -4.497 -6.645 1.00 0.54 H new ATOM 0 HB2 ASP A 64 159.667 -4.476 -4.206 1.00 0.53 H new ATOM 0 HB3 ASP A 64 161.399 -4.208 -4.199 1.00 0.53 H new ATOM 1072 N ILE A 65 159.434 -6.872 -6.048 1.00 0.49 N ATOM 1073 CA ILE A 65 159.352 -8.356 -5.890 1.00 0.50 C ATOM 1074 C ILE A 65 159.611 -9.028 -7.240 1.00 0.54 C ATOM 1075 O ILE A 65 160.228 -10.072 -7.317 1.00 0.53 O ATOM 1076 CB ILE A 65 157.925 -8.673 -5.407 1.00 0.52 C ATOM 1077 CG1 ILE A 65 157.329 -7.487 -4.639 1.00 0.51 C ATOM 1078 CG2 ILE A 65 157.970 -9.887 -4.477 1.00 0.56 C ATOM 1079 CD1 ILE A 65 156.030 -7.925 -3.957 1.00 0.53 C ATOM 0 H ILE A 65 158.545 -6.404 -6.225 1.00 0.49 H new ATOM 0 HA ILE A 65 160.093 -8.723 -5.179 1.00 0.50 H new ATOM 0 HB ILE A 65 157.303 -8.877 -6.278 1.00 0.52 H new ATOM 0 HG12 ILE A 65 158.040 -7.127 -3.895 1.00 0.51 H new ATOM 0 HG13 ILE A 65 157.134 -6.659 -5.321 1.00 0.51 H new ATOM 0 HG21 ILE A 65 156.963 -10.118 -4.131 1.00 0.56 H new ATOM 0 HG22 ILE A 65 158.373 -10.744 -5.017 1.00 0.56 H new ATOM 0 HG23 ILE A 65 158.606 -9.666 -3.620 1.00 0.56 H new ATOM 0 HD11 ILE A 65 155.604 -7.083 -3.410 1.00 0.53 H new ATOM 0 HD12 ILE A 65 155.320 -8.264 -4.711 1.00 0.53 H new ATOM 0 HD13 ILE A 65 156.240 -8.739 -3.264 1.00 0.53 H new ATOM 1091 N ASP A 66 159.147 -8.434 -8.305 1.00 0.60 N ATOM 1092 CA ASP A 66 159.370 -9.034 -9.651 1.00 0.67 C ATOM 1093 C ASP A 66 160.865 -9.039 -9.976 1.00 0.62 C ATOM 1094 O ASP A 66 161.420 -10.041 -10.379 1.00 0.61 O ATOM 1095 CB ASP A 66 158.609 -8.130 -10.621 1.00 0.76 C ATOM 1096 CG ASP A 66 157.134 -8.534 -10.644 1.00 1.20 C ATOM 1097 OD1 ASP A 66 156.603 -8.826 -9.585 1.00 2.02 O ATOM 1098 OD2 ASP A 66 156.560 -8.544 -11.721 1.00 1.61 O ATOM 0 H ASP A 66 158.623 -7.559 -8.301 1.00 0.60 H new ATOM 0 HA ASP A 66 159.026 -10.067 -9.710 1.00 0.67 H new ATOM 0 HB2 ASP A 66 158.707 -7.088 -10.317 1.00 0.76 H new ATOM 0 HB3 ASP A 66 159.035 -8.211 -11.621 1.00 0.76 H new ATOM 1103 N ASP A 67 161.523 -7.926 -9.796 1.00 0.62 N ATOM 1104 CA ASP A 67 162.984 -7.871 -10.087 1.00 0.60 C ATOM 1105 C ASP A 67 163.738 -8.788 -9.122 1.00 0.54 C ATOM 1106 O ASP A 67 164.568 -9.579 -9.522 1.00 0.55 O ATOM 1107 CB ASP A 67 163.381 -6.411 -9.861 1.00 0.62 C ATOM 1108 CG ASP A 67 163.004 -5.582 -11.089 1.00 0.91 C ATOM 1109 OD1 ASP A 67 163.318 -6.010 -12.188 1.00 1.60 O ATOM 1110 OD2 ASP A 67 162.407 -4.533 -10.911 1.00 1.58 O ATOM 0 H ASP A 67 161.113 -7.054 -9.461 1.00 0.62 H new ATOM 0 HA ASP A 67 163.221 -8.201 -11.098 1.00 0.60 H new ATOM 0 HB2 ASP A 67 162.878 -6.019 -8.977 1.00 0.62 H new ATOM 0 HB3 ASP A 67 164.453 -6.339 -9.676 1.00 0.62 H new ATOM 1115 N LEU A 68 163.450 -8.690 -7.852 1.00 0.54 N ATOM 1116 CA LEU A 68 164.147 -9.559 -6.862 1.00 0.51 C ATOM 1117 C LEU A 68 163.839 -11.031 -7.150 1.00 0.52 C ATOM 1118 O LEU A 68 164.698 -11.885 -7.055 1.00 0.52 O ATOM 1119 CB LEU A 68 163.577 -9.149 -5.503 1.00 0.51 C ATOM 1120 CG LEU A 68 164.233 -7.845 -5.046 1.00 0.62 C ATOM 1121 CD1 LEU A 68 163.785 -7.520 -3.620 1.00 0.63 C ATOM 1122 CD2 LEU A 68 165.755 -8.002 -5.078 1.00 0.68 C ATOM 0 H LEU A 68 162.763 -8.047 -7.458 1.00 0.54 H new ATOM 0 HA LEU A 68 165.230 -9.444 -6.900 1.00 0.51 H new ATOM 0 HB2 LEU A 68 162.497 -9.020 -5.574 1.00 0.51 H new ATOM 0 HB3 LEU A 68 163.756 -9.935 -4.770 1.00 0.51 H new ATOM 0 HG LEU A 68 163.936 -7.036 -5.713 1.00 0.62 H new ATOM 0 HD11 LEU A 68 164.253 -6.591 -3.295 1.00 0.63 H new ATOM 0 HD12 LEU A 68 162.701 -7.409 -3.596 1.00 0.63 H new ATOM 0 HD13 LEU A 68 164.082 -8.329 -2.952 1.00 0.63 H new ATOM 0 HD21 LEU A 68 166.224 -7.073 -4.753 1.00 0.68 H new ATOM 0 HD22 LEU A 68 166.051 -8.811 -4.411 1.00 0.68 H new ATOM 0 HD23 LEU A 68 166.076 -8.234 -6.094 1.00 0.68 H new ATOM 1134 N LYS A 69 162.619 -11.332 -7.504 1.00 0.58 N ATOM 1135 CA LYS A 69 162.259 -12.748 -7.800 1.00 0.65 C ATOM 1136 C LYS A 69 163.093 -13.269 -8.973 1.00 0.62 C ATOM 1137 O LYS A 69 163.662 -14.340 -8.915 1.00 0.64 O ATOM 1138 CB LYS A 69 160.775 -12.711 -8.169 1.00 0.80 C ATOM 1139 CG LYS A 69 160.346 -14.084 -8.692 1.00 0.89 C ATOM 1140 CD LYS A 69 160.278 -15.076 -7.530 1.00 1.40 C ATOM 1141 CE LYS A 69 158.829 -15.209 -7.055 1.00 1.60 C ATOM 1142 NZ LYS A 69 158.183 -16.117 -8.043 1.00 2.20 N ATOM 0 H LYS A 69 161.858 -10.660 -7.601 1.00 0.58 H new ATOM 0 HA LYS A 69 162.451 -13.410 -6.955 1.00 0.65 H new ATOM 0 HB2 LYS A 69 160.179 -12.439 -7.298 1.00 0.80 H new ATOM 0 HB3 LYS A 69 160.597 -11.949 -8.928 1.00 0.80 H new ATOM 0 HG2 LYS A 69 159.374 -14.011 -9.179 1.00 0.89 H new ATOM 0 HG3 LYS A 69 161.053 -14.436 -9.443 1.00 0.89 H new ATOM 0 HD2 LYS A 69 160.659 -16.047 -7.845 1.00 1.40 H new ATOM 0 HD3 LYS A 69 160.911 -14.736 -6.710 1.00 1.40 H new ATOM 0 HE2 LYS A 69 158.780 -15.622 -6.048 1.00 1.60 H new ATOM 0 HE3 LYS A 69 158.332 -14.239 -7.026 1.00 1.60 H new ATOM 0 HZ1 LYS A 69 157.229 -15.767 -8.264 1.00 2.20 H new ATOM 0 HZ2 LYS A 69 158.752 -16.144 -8.913 1.00 2.20 H new ATOM 0 HZ3 LYS A 69 158.117 -17.075 -7.643 1.00 2.20 H new ATOM 1156 N ARG A 70 163.171 -12.517 -10.037 1.00 0.63 N ATOM 1157 CA ARG A 70 163.971 -12.968 -11.212 1.00 0.65 C ATOM 1158 C ARG A 70 165.445 -13.106 -10.821 1.00 0.58 C ATOM 1159 O ARG A 70 166.145 -13.977 -11.297 1.00 0.58 O ATOM 1160 CB ARG A 70 163.793 -11.868 -12.259 1.00 0.73 C ATOM 1161 CG ARG A 70 163.581 -12.501 -13.636 1.00 1.29 C ATOM 1162 CD ARG A 70 164.929 -12.642 -14.347 1.00 1.30 C ATOM 1163 NE ARG A 70 164.588 -13.062 -15.735 1.00 1.67 N ATOM 1164 CZ ARG A 70 164.932 -12.313 -16.746 1.00 2.27 C ATOM 1165 NH1 ARG A 70 166.190 -12.035 -16.954 1.00 3.01 N ATOM 1166 NH2 ARG A 70 164.019 -11.842 -17.550 1.00 2.72 N ATOM 0 H ARG A 70 162.716 -11.610 -10.144 1.00 0.63 H new ATOM 0 HA ARG A 70 163.648 -13.940 -11.586 1.00 0.65 H new ATOM 0 HB2 ARG A 70 162.940 -11.240 -12.001 1.00 0.73 H new ATOM 0 HB3 ARG A 70 164.671 -11.222 -12.276 1.00 0.73 H new ATOM 0 HG2 ARG A 70 163.110 -13.478 -13.530 1.00 1.29 H new ATOM 0 HG3 ARG A 70 162.907 -11.885 -14.231 1.00 1.29 H new ATOM 0 HD2 ARG A 70 165.478 -11.701 -14.343 1.00 1.30 H new ATOM 0 HD3 ARG A 70 165.560 -13.382 -13.854 1.00 1.30 H new ATOM 0 HE ARG A 70 164.086 -13.935 -15.895 1.00 1.67 H new ATOM 0 HH11 ARG A 70 166.904 -12.403 -16.326 1.00 3.01 H new ATOM 0 HH12 ARG A 70 166.459 -11.449 -17.745 1.00 3.01 H new ATOM 0 HH21 ARG A 70 163.036 -12.059 -17.388 1.00 2.72 H new ATOM 0 HH22 ARG A 70 164.288 -11.256 -18.340 1.00 2.72 H new ATOM 1180 N GLN A 71 165.919 -12.251 -9.956 1.00 0.52 N ATOM 1181 CA GLN A 71 167.347 -12.331 -9.532 1.00 0.49 C ATOM 1182 C GLN A 71 167.625 -13.679 -8.860 1.00 0.45 C ATOM 1183 O GLN A 71 168.153 -14.584 -9.471 1.00 0.48 O ATOM 1184 CB GLN A 71 167.528 -11.183 -8.539 1.00 0.45 C ATOM 1185 CG GLN A 71 168.257 -10.026 -9.226 1.00 0.80 C ATOM 1186 CD GLN A 71 167.344 -8.800 -9.271 1.00 0.99 C ATOM 1187 OE1 GLN A 71 166.600 -8.616 -10.214 1.00 1.89 O ATOM 1188 NE2 GLN A 71 167.370 -7.946 -8.285 1.00 1.51 N ATOM 0 H GLN A 71 165.380 -11.501 -9.524 1.00 0.52 H new ATOM 0 HA GLN A 71 168.035 -12.252 -10.374 1.00 0.49 H new ATOM 0 HB2 GLN A 71 166.558 -10.849 -8.172 1.00 0.45 H new ATOM 0 HB3 GLN A 71 168.097 -11.523 -7.673 1.00 0.45 H new ATOM 0 HG2 GLN A 71 169.174 -9.789 -8.687 1.00 0.80 H new ATOM 0 HG3 GLN A 71 168.546 -10.314 -10.237 1.00 0.80 H new ATOM 0 HE21 GLN A 71 167.994 -8.100 -7.493 1.00 1.51 H new ATOM 0 HE22 GLN A 71 166.766 -7.124 -8.306 1.00 1.51 H new ATOM 1197 N ASN A 72 167.272 -13.821 -7.610 1.00 0.42 N ATOM 1198 CA ASN A 72 167.510 -15.111 -6.902 1.00 0.42 C ATOM 1199 C ASN A 72 167.229 -16.292 -7.842 1.00 0.49 C ATOM 1200 O ASN A 72 167.805 -17.353 -7.708 1.00 0.54 O ATOM 1201 CB ASN A 72 166.544 -15.070 -5.704 1.00 0.44 C ATOM 1202 CG ASN A 72 165.624 -16.296 -5.679 1.00 0.54 C ATOM 1203 OD1 ASN A 72 164.760 -16.440 -6.521 1.00 0.96 O ATOM 1204 ND2 ASN A 72 165.776 -17.189 -4.740 1.00 0.71 N ATOM 0 H ASN A 72 166.827 -13.096 -7.047 1.00 0.42 H new ATOM 0 HA ASN A 72 168.541 -15.242 -6.574 1.00 0.42 H new ATOM 0 HB2 ASN A 72 167.115 -15.024 -4.777 1.00 0.44 H new ATOM 0 HB3 ASN A 72 165.941 -14.163 -5.753 1.00 0.44 H new ATOM 0 HD21 ASN A 72 165.169 -18.009 -4.713 1.00 0.71 H new ATOM 0 HD22 ASN A 72 166.502 -17.068 -4.033 1.00 0.71 H new ATOM 1211 N ALA A 73 166.360 -16.110 -8.801 1.00 0.53 N ATOM 1212 CA ALA A 73 166.065 -17.219 -9.750 1.00 0.61 C ATOM 1213 C ALA A 73 167.337 -17.561 -10.523 1.00 0.58 C ATOM 1214 O ALA A 73 167.909 -18.621 -10.364 1.00 0.60 O ATOM 1215 CB ALA A 73 164.991 -16.667 -10.688 1.00 0.69 C ATOM 0 H ALA A 73 165.845 -15.245 -8.966 1.00 0.53 H new ATOM 0 HA ALA A 73 165.726 -18.128 -9.253 1.00 0.61 H new ATOM 0 HB1 ALA A 73 164.720 -17.429 -11.419 1.00 0.69 H new ATOM 0 HB2 ALA A 73 164.110 -16.390 -10.109 1.00 0.69 H new ATOM 0 HB3 ALA A 73 165.376 -15.788 -11.205 1.00 0.69 H new ATOM 1221 N LEU A 74 167.798 -16.657 -11.342 1.00 0.56 N ATOM 1222 CA LEU A 74 169.049 -16.916 -12.106 1.00 0.57 C ATOM 1223 C LEU A 74 170.243 -16.846 -11.150 1.00 0.51 C ATOM 1224 O LEU A 74 171.285 -17.425 -11.392 1.00 0.56 O ATOM 1225 CB LEU A 74 169.121 -15.799 -13.149 1.00 0.62 C ATOM 1226 CG LEU A 74 169.081 -14.441 -12.447 1.00 1.10 C ATOM 1227 CD1 LEU A 74 170.487 -13.845 -12.400 1.00 1.69 C ATOM 1228 CD2 LEU A 74 168.149 -13.497 -13.210 1.00 1.84 C ATOM 0 H LEU A 74 167.363 -15.751 -11.515 1.00 0.56 H new ATOM 0 HA LEU A 74 169.063 -17.899 -12.578 1.00 0.57 H new ATOM 0 HB2 LEU A 74 170.037 -15.891 -13.733 1.00 0.62 H new ATOM 0 HB3 LEU A 74 168.288 -15.884 -13.847 1.00 0.62 H new ATOM 0 HG LEU A 74 168.711 -14.571 -11.430 1.00 1.10 H new ATOM 0 HD11 LEU A 74 170.455 -12.877 -11.899 1.00 1.69 H new ATOM 0 HD12 LEU A 74 171.148 -14.516 -11.852 1.00 1.69 H new ATOM 0 HD13 LEU A 74 170.862 -13.716 -13.415 1.00 1.69 H new ATOM 0 HD21 LEU A 74 168.121 -12.529 -12.709 1.00 1.84 H new ATOM 0 HD22 LEU A 74 168.516 -13.368 -14.228 1.00 1.84 H new ATOM 0 HD23 LEU A 74 167.145 -13.920 -13.237 1.00 1.84 H new ATOM 1240 N LEU A 75 170.089 -16.148 -10.053 1.00 0.44 N ATOM 1241 CA LEU A 75 171.201 -16.045 -9.067 1.00 0.40 C ATOM 1242 C LEU A 75 171.478 -17.423 -8.462 1.00 0.41 C ATOM 1243 O LEU A 75 172.609 -17.857 -8.370 1.00 0.44 O ATOM 1244 CB LEU A 75 170.686 -15.085 -7.994 1.00 0.38 C ATOM 1245 CG LEU A 75 171.261 -13.685 -8.221 1.00 0.46 C ATOM 1246 CD1 LEU A 75 170.198 -12.639 -7.884 1.00 0.45 C ATOM 1247 CD2 LEU A 75 172.473 -13.478 -7.311 1.00 0.54 C ATOM 0 H LEU A 75 169.239 -15.645 -9.800 1.00 0.44 H new ATOM 0 HA LEU A 75 172.130 -15.693 -9.515 1.00 0.40 H new ATOM 0 HB2 LEU A 75 169.597 -15.048 -8.021 1.00 0.38 H new ATOM 0 HB3 LEU A 75 170.969 -15.447 -7.005 1.00 0.38 H new ATOM 0 HG LEU A 75 171.562 -13.582 -9.263 1.00 0.46 H new ATOM 0 HD11 LEU A 75 170.606 -11.641 -8.045 1.00 0.45 H new ATOM 0 HD12 LEU A 75 169.329 -12.784 -8.526 1.00 0.45 H new ATOM 0 HD13 LEU A 75 169.901 -12.745 -6.841 1.00 0.45 H new ATOM 0 HD21 LEU A 75 172.883 -12.481 -7.472 1.00 0.54 H new ATOM 0 HD22 LEU A 75 172.168 -13.581 -6.270 1.00 0.54 H new ATOM 0 HD23 LEU A 75 173.233 -14.225 -7.542 1.00 0.54 H new ATOM 1259 N GLU A 76 170.448 -18.116 -8.055 1.00 0.43 N ATOM 1260 CA GLU A 76 170.645 -19.468 -7.461 1.00 0.47 C ATOM 1261 C GLU A 76 171.078 -20.455 -8.546 1.00 0.51 C ATOM 1262 O GLU A 76 171.852 -21.360 -8.304 1.00 0.57 O ATOM 1263 CB GLU A 76 169.279 -19.857 -6.894 1.00 0.53 C ATOM 1264 CG GLU A 76 169.472 -20.732 -5.654 1.00 0.65 C ATOM 1265 CD GLU A 76 168.183 -20.743 -4.829 1.00 0.78 C ATOM 1266 OE1 GLU A 76 167.120 -20.703 -5.427 1.00 0.92 O ATOM 1267 OE2 GLU A 76 168.281 -20.790 -3.614 1.00 1.65 O ATOM 0 H GLU A 76 169.479 -17.803 -8.109 1.00 0.43 H new ATOM 0 HA GLU A 76 171.418 -19.476 -6.693 1.00 0.47 H new ATOM 0 HB2 GLU A 76 168.712 -18.962 -6.636 1.00 0.53 H new ATOM 0 HB3 GLU A 76 168.701 -20.395 -7.646 1.00 0.53 H new ATOM 0 HG2 GLU A 76 169.735 -21.747 -5.950 1.00 0.65 H new ATOM 0 HG3 GLU A 76 170.298 -20.351 -5.053 1.00 0.65 H new ATOM 1274 N GLN A 77 170.592 -20.282 -9.746 1.00 0.51 N ATOM 1275 CA GLN A 77 170.984 -21.205 -10.848 1.00 0.58 C ATOM 1276 C GLN A 77 172.485 -21.077 -11.119 1.00 0.58 C ATOM 1277 O GLN A 77 173.076 -21.885 -11.809 1.00 0.63 O ATOM 1278 CB GLN A 77 170.176 -20.743 -12.062 1.00 0.62 C ATOM 1279 CG GLN A 77 169.288 -21.890 -12.550 1.00 0.74 C ATOM 1280 CD GLN A 77 168.398 -22.371 -11.403 1.00 1.26 C ATOM 1281 OE1 GLN A 77 168.812 -23.178 -10.594 1.00 1.80 O ATOM 1282 NE2 GLN A 77 167.182 -21.907 -11.297 1.00 1.88 N ATOM 0 H GLN A 77 169.941 -19.542 -10.010 1.00 0.51 H new ATOM 0 HA GLN A 77 170.787 -22.250 -10.608 1.00 0.58 H new ATOM 0 HB2 GLN A 77 169.563 -19.881 -11.798 1.00 0.62 H new ATOM 0 HB3 GLN A 77 170.847 -20.424 -12.859 1.00 0.62 H new ATOM 0 HG2 GLN A 77 168.673 -21.557 -13.386 1.00 0.74 H new ATOM 0 HG3 GLN A 77 169.905 -22.711 -12.915 1.00 0.74 H new ATOM 0 HE21 GLN A 77 166.834 -21.230 -11.975 1.00 1.88 H new ATOM 0 HE22 GLN A 77 166.581 -22.222 -10.536 1.00 1.88 H new ATOM 1291 N GLN A 78 173.111 -20.079 -10.556 1.00 0.59 N ATOM 1292 CA GLN A 78 174.575 -19.905 -10.756 1.00 0.64 C ATOM 1293 C GLN A 78 175.271 -20.216 -9.440 1.00 0.60 C ATOM 1294 O GLN A 78 176.288 -20.879 -9.391 1.00 0.63 O ATOM 1295 CB GLN A 78 174.761 -18.436 -11.137 1.00 0.69 C ATOM 1296 CG GLN A 78 176.242 -18.160 -11.399 1.00 0.67 C ATOM 1297 CD GLN A 78 176.551 -18.394 -12.879 1.00 0.83 C ATOM 1298 OE1 GLN A 78 177.524 -19.040 -13.214 1.00 1.37 O ATOM 1299 NE2 GLN A 78 175.757 -17.892 -13.785 1.00 1.56 N ATOM 0 H GLN A 78 172.669 -19.376 -9.965 1.00 0.59 H new ATOM 0 HA GLN A 78 174.989 -20.559 -11.524 1.00 0.64 H new ATOM 0 HB2 GLN A 78 174.174 -18.203 -12.025 1.00 0.69 H new ATOM 0 HB3 GLN A 78 174.396 -17.793 -10.336 1.00 0.69 H new ATOM 0 HG2 GLN A 78 176.486 -17.134 -11.124 1.00 0.67 H new ATOM 0 HG3 GLN A 78 176.859 -18.811 -10.780 1.00 0.67 H new ATOM 0 HE21 GLN A 78 174.940 -17.350 -13.503 1.00 1.56 H new ATOM 0 HE22 GLN A 78 175.953 -18.042 -14.775 1.00 1.56 H new ATOM 1308 N VAL A 79 174.694 -19.763 -8.367 1.00 0.59 N ATOM 1309 CA VAL A 79 175.267 -20.043 -7.030 1.00 0.60 C ATOM 1310 C VAL A 79 175.309 -21.562 -6.818 1.00 0.63 C ATOM 1311 O VAL A 79 175.992 -22.063 -5.948 1.00 0.68 O ATOM 1312 CB VAL A 79 174.296 -19.344 -6.065 1.00 0.64 C ATOM 1313 CG1 VAL A 79 174.026 -20.214 -4.839 1.00 0.73 C ATOM 1314 CG2 VAL A 79 174.906 -18.016 -5.613 1.00 0.72 C ATOM 0 H VAL A 79 173.840 -19.205 -8.361 1.00 0.59 H new ATOM 0 HA VAL A 79 176.287 -19.687 -6.889 1.00 0.60 H new ATOM 0 HB VAL A 79 173.353 -19.172 -6.584 1.00 0.64 H new ATOM 0 HG11 VAL A 79 173.336 -19.698 -4.171 1.00 0.73 H new ATOM 0 HG12 VAL A 79 173.586 -21.160 -5.154 1.00 0.73 H new ATOM 0 HG13 VAL A 79 174.963 -20.406 -4.316 1.00 0.73 H new ATOM 0 HG21 VAL A 79 174.221 -17.516 -4.928 1.00 0.72 H new ATOM 0 HG22 VAL A 79 175.853 -18.204 -5.107 1.00 0.72 H new ATOM 0 HG23 VAL A 79 175.079 -17.381 -6.482 1.00 0.72 H new ATOM 1741 N ILE B 19 131.291 13.009 5.199 1.00 1.19 N ATOM 1742 CA ILE B 19 131.717 11.971 4.214 1.00 1.05 C ATOM 1743 C ILE B 19 131.759 12.550 2.803 1.00 0.94 C ATOM 1744 O ILE B 19 132.745 12.406 2.120 1.00 0.95 O ATOM 1745 CB ILE B 19 130.723 10.808 4.307 1.00 1.28 C ATOM 1746 CG1 ILE B 19 129.273 11.287 4.255 1.00 1.91 C ATOM 1747 CG2 ILE B 19 130.949 10.056 5.616 1.00 1.51 C ATOM 1748 CD1 ILE B 19 128.368 10.093 4.570 1.00 1.99 C ATOM 0 HA ILE B 19 132.724 11.620 4.441 1.00 1.05 H new ATOM 0 HB ILE B 19 130.894 10.157 3.450 1.00 1.28 H new ATOM 0 HG12 ILE B 19 129.111 12.089 4.975 1.00 1.91 H new ATOM 0 HG13 ILE B 19 129.041 11.692 3.270 1.00 1.91 H new ATOM 0 HG21 ILE B 19 130.244 9.228 5.686 1.00 1.51 H new ATOM 0 HG22 ILE B 19 131.968 9.669 5.642 1.00 1.51 H new ATOM 0 HG23 ILE B 19 130.797 10.734 6.456 1.00 1.51 H new ATOM 0 HD11 ILE B 19 127.325 10.409 4.539 1.00 1.99 H new ATOM 0 HD12 ILE B 19 128.531 9.308 3.832 1.00 1.99 H new ATOM 0 HD13 ILE B 19 128.602 9.711 5.564 1.00 1.99 H new ATOM 1760 N LYS B 20 130.710 13.198 2.360 1.00 0.98 N ATOM 1761 CA LYS B 20 130.724 13.785 0.980 1.00 1.01 C ATOM 1762 C LYS B 20 132.121 14.308 0.648 1.00 0.95 C ATOM 1763 O LYS B 20 132.788 13.793 -0.226 1.00 0.98 O ATOM 1764 CB LYS B 20 129.733 14.941 1.011 1.00 1.24 C ATOM 1765 CG LYS B 20 128.306 14.395 1.063 1.00 1.39 C ATOM 1766 CD LYS B 20 127.460 15.084 -0.008 1.00 1.83 C ATOM 1767 CE LYS B 20 126.269 15.785 0.649 1.00 2.31 C ATOM 1768 NZ LYS B 20 125.257 14.712 0.853 1.00 2.83 N ATOM 0 H LYS B 20 129.850 13.346 2.888 1.00 0.98 H new ATOM 0 HA LYS B 20 130.459 13.044 0.225 1.00 1.01 H new ATOM 0 HB2 LYS B 20 129.923 15.572 1.879 1.00 1.24 H new ATOM 0 HB3 LYS B 20 129.861 15.567 0.128 1.00 1.24 H new ATOM 0 HG2 LYS B 20 128.311 13.317 0.901 1.00 1.39 H new ATOM 0 HG3 LYS B 20 127.875 14.567 2.049 1.00 1.39 H new ATOM 0 HD2 LYS B 20 128.065 15.808 -0.553 1.00 1.83 H new ATOM 0 HD3 LYS B 20 127.108 14.351 -0.734 1.00 1.83 H new ATOM 0 HE2 LYS B 20 126.554 16.244 1.596 1.00 2.31 H new ATOM 0 HE3 LYS B 20 125.879 16.580 0.014 1.00 2.31 H new ATOM 0 HZ1 LYS B 20 124.409 15.115 1.300 1.00 2.83 H new ATOM 0 HZ2 LYS B 20 125.000 14.298 -0.066 1.00 2.83 H new ATOM 0 HZ3 LYS B 20 125.654 13.973 1.467 1.00 2.83 H new ATOM 1782 N ASP B 21 132.586 15.310 1.354 1.00 0.95 N ATOM 1783 CA ASP B 21 133.958 15.818 1.074 1.00 1.01 C ATOM 1784 C ASP B 21 134.891 14.616 0.965 1.00 0.99 C ATOM 1785 O ASP B 21 135.684 14.506 0.050 1.00 1.03 O ATOM 1786 CB ASP B 21 134.331 16.687 2.276 1.00 1.16 C ATOM 1787 CG ASP B 21 134.967 17.989 1.786 1.00 2.09 C ATOM 1788 OD1 ASP B 21 135.628 17.954 0.761 1.00 2.72 O ATOM 1789 OD2 ASP B 21 134.783 18.999 2.445 1.00 2.71 O ATOM 0 H ASP B 21 132.082 15.789 2.100 1.00 0.95 H new ATOM 0 HA ASP B 21 134.025 16.392 0.150 1.00 1.01 H new ATOM 0 HB2 ASP B 21 133.444 16.904 2.870 1.00 1.16 H new ATOM 0 HB3 ASP B 21 135.025 16.152 2.924 1.00 1.16 H new ATOM 1794 N SER B 22 134.768 13.692 1.880 1.00 1.00 N ATOM 1795 CA SER B 22 135.610 12.469 1.821 1.00 1.09 C ATOM 1796 C SER B 22 135.271 11.700 0.543 1.00 1.00 C ATOM 1797 O SER B 22 136.141 11.329 -0.215 1.00 1.03 O ATOM 1798 CB SER B 22 135.229 11.658 3.059 1.00 1.27 C ATOM 1799 OG SER B 22 136.268 11.760 4.024 1.00 1.82 O ATOM 0 H SER B 22 134.119 13.734 2.666 1.00 1.00 H new ATOM 0 HA SER B 22 136.678 12.686 1.806 1.00 1.09 H new ATOM 0 HB2 SER B 22 134.292 12.027 3.476 1.00 1.27 H new ATOM 0 HB3 SER B 22 135.068 10.614 2.789 1.00 1.27 H new ATOM 0 HG SER B 22 135.963 11.380 4.874 1.00 1.82 H new ATOM 1805 N PHE B 23 134.007 11.475 0.289 1.00 0.95 N ATOM 1806 CA PHE B 23 133.614 10.752 -0.949 1.00 0.96 C ATOM 1807 C PHE B 23 134.339 11.374 -2.141 1.00 0.86 C ATOM 1808 O PHE B 23 135.138 10.739 -2.797 1.00 0.89 O ATOM 1809 CB PHE B 23 132.110 10.977 -1.097 1.00 1.07 C ATOM 1810 CG PHE B 23 131.325 10.063 -0.183 1.00 0.83 C ATOM 1811 CD1 PHE B 23 131.971 9.164 0.680 1.00 1.52 C ATOM 1812 CD2 PHE B 23 129.928 10.125 -0.199 1.00 1.34 C ATOM 1813 CE1 PHE B 23 131.210 8.342 1.514 1.00 1.62 C ATOM 1814 CE2 PHE B 23 129.177 9.305 0.639 1.00 1.35 C ATOM 1815 CZ PHE B 23 129.816 8.415 1.497 1.00 1.03 C ATOM 0 H PHE B 23 133.233 11.762 0.888 1.00 0.95 H new ATOM 0 HA PHE B 23 133.864 9.692 -0.904 1.00 0.96 H new ATOM 0 HB2 PHE B 23 131.871 12.016 -0.868 1.00 1.07 H new ATOM 0 HB3 PHE B 23 131.814 10.802 -2.131 1.00 1.07 H new ATOM 0 HD1 PHE B 23 133.049 9.108 0.699 1.00 1.52 H new ATOM 0 HD2 PHE B 23 129.429 10.813 -0.865 1.00 1.34 H new ATOM 0 HE1 PHE B 23 131.703 7.646 2.176 1.00 1.62 H new ATOM 0 HE2 PHE B 23 128.099 9.360 0.623 1.00 1.35 H new ATOM 0 HZ PHE B 23 129.234 7.781 2.149 1.00 1.03 H new ATOM 1825 N HIS B 24 134.064 12.625 -2.420 1.00 0.84 N ATOM 1826 CA HIS B 24 134.743 13.295 -3.568 1.00 0.88 C ATOM 1827 C HIS B 24 136.226 12.923 -3.576 1.00 0.86 C ATOM 1828 O HIS B 24 136.757 12.463 -4.567 1.00 0.87 O ATOM 1829 CB HIS B 24 134.563 14.793 -3.323 1.00 0.97 C ATOM 1830 CG HIS B 24 134.083 15.454 -4.587 1.00 1.36 C ATOM 1831 ND1 HIS B 24 134.957 15.987 -5.520 1.00 2.01 N ATOM 1832 CD2 HIS B 24 132.822 15.672 -5.086 1.00 1.95 C ATOM 1833 CE1 HIS B 24 134.218 16.496 -6.524 1.00 2.41 C ATOM 1834 NE2 HIS B 24 132.910 16.331 -6.309 1.00 2.34 N ATOM 0 H HIS B 24 133.403 13.206 -1.905 1.00 0.84 H new ATOM 0 HA HIS B 24 134.329 12.995 -4.531 1.00 0.88 H new ATOM 0 HB2 HIS B 24 133.846 14.957 -2.519 1.00 0.97 H new ATOM 0 HB3 HIS B 24 135.506 15.236 -3.004 1.00 0.97 H new ATOM 0 HD2 HIS B 24 131.902 15.377 -4.603 1.00 1.95 H new ATOM 0 HE1 HIS B 24 134.632 16.979 -7.397 1.00 2.41 H new ATOM 0 HE2 HIS B 24 132.141 16.625 -6.911 1.00 2.34 H new ATOM 1842 N SER B 25 136.896 13.103 -2.470 1.00 0.95 N ATOM 1843 CA SER B 25 138.340 12.741 -2.408 1.00 1.05 C ATOM 1844 C SER B 25 138.480 11.221 -2.496 1.00 0.93 C ATOM 1845 O SER B 25 139.462 10.697 -2.989 1.00 0.96 O ATOM 1846 CB SER B 25 138.817 13.244 -1.046 1.00 1.27 C ATOM 1847 OG SER B 25 139.418 14.523 -1.201 1.00 1.36 O ATOM 0 H SER B 25 136.506 13.485 -1.608 1.00 0.95 H new ATOM 0 HA SER B 25 138.921 13.175 -3.222 1.00 1.05 H new ATOM 0 HB2 SER B 25 137.977 13.306 -0.354 1.00 1.27 H new ATOM 0 HB3 SER B 25 139.533 12.543 -0.617 1.00 1.27 H new ATOM 0 HG SER B 25 139.723 14.849 -0.329 1.00 1.36 H new ATOM 1853 N LEU B 26 137.493 10.514 -2.021 1.00 0.92 N ATOM 1854 CA LEU B 26 137.542 9.029 -2.066 1.00 0.96 C ATOM 1855 C LEU B 26 137.367 8.552 -3.509 1.00 0.85 C ATOM 1856 O LEU B 26 138.103 7.708 -3.989 1.00 0.86 O ATOM 1857 CB LEU B 26 136.382 8.572 -1.178 1.00 1.12 C ATOM 1858 CG LEU B 26 136.937 8.022 0.140 1.00 1.31 C ATOM 1859 CD1 LEU B 26 136.157 8.611 1.315 1.00 1.52 C ATOM 1860 CD2 LEU B 26 136.803 6.498 0.159 1.00 1.63 C ATOM 0 H LEU B 26 136.650 10.905 -1.601 1.00 0.92 H new ATOM 0 HA LEU B 26 138.491 8.622 -1.717 1.00 0.96 H new ATOM 0 HB2 LEU B 26 135.709 9.407 -0.982 1.00 1.12 H new ATOM 0 HB3 LEU B 26 135.799 7.805 -1.688 1.00 1.12 H new ATOM 0 HG LEU B 26 137.988 8.298 0.226 1.00 1.31 H new ATOM 0 HD11 LEU B 26 136.555 8.217 2.250 1.00 1.52 H new ATOM 0 HD12 LEU B 26 136.254 9.697 1.308 1.00 1.52 H new ATOM 0 HD13 LEU B 26 135.105 8.340 1.226 1.00 1.52 H new ATOM 0 HD21 LEU B 26 137.199 6.110 1.098 1.00 1.63 H new ATOM 0 HD22 LEU B 26 135.752 6.224 0.067 1.00 1.63 H new ATOM 0 HD23 LEU B 26 137.363 6.073 -0.674 1.00 1.63 H new ATOM 1872 N ARG B 27 136.417 9.098 -4.216 1.00 0.86 N ATOM 1873 CA ARG B 27 136.230 8.683 -5.631 1.00 0.93 C ATOM 1874 C ARG B 27 137.540 8.943 -6.381 1.00 0.86 C ATOM 1875 O ARG B 27 137.858 8.292 -7.357 1.00 0.96 O ATOM 1876 CB ARG B 27 135.068 9.553 -6.156 1.00 1.07 C ATOM 1877 CG ARG B 27 135.575 10.613 -7.145 1.00 1.09 C ATOM 1878 CD ARG B 27 134.531 11.722 -7.293 1.00 1.11 C ATOM 1879 NE ARG B 27 134.244 11.784 -8.753 1.00 1.55 N ATOM 1880 CZ ARG B 27 134.151 12.939 -9.353 1.00 1.93 C ATOM 1881 NH1 ARG B 27 133.462 13.904 -8.807 1.00 2.45 N ATOM 1882 NH2 ARG B 27 134.746 13.130 -10.498 1.00 2.34 N ATOM 0 H ARG B 27 135.768 9.808 -3.877 1.00 0.86 H new ATOM 0 HA ARG B 27 135.992 7.627 -5.758 1.00 0.93 H new ATOM 0 HB2 ARG B 27 134.327 8.920 -6.645 1.00 1.07 H new ATOM 0 HB3 ARG B 27 134.568 10.041 -5.319 1.00 1.07 H new ATOM 0 HG2 ARG B 27 136.517 11.032 -6.792 1.00 1.09 H new ATOM 0 HG3 ARG B 27 135.773 10.155 -8.114 1.00 1.09 H new ATOM 0 HD2 ARG B 27 133.630 11.496 -6.722 1.00 1.11 H new ATOM 0 HD3 ARG B 27 134.911 12.675 -6.924 1.00 1.11 H new ATOM 0 HE ARG B 27 134.120 10.922 -9.285 1.00 1.55 H new ATOM 0 HH11 ARG B 27 132.997 13.755 -7.912 1.00 2.45 H new ATOM 0 HH12 ARG B 27 133.389 14.807 -9.276 1.00 2.45 H new ATOM 0 HH21 ARG B 27 135.284 12.376 -10.925 1.00 2.34 H new ATOM 0 HH22 ARG B 27 134.673 14.033 -10.966 1.00 2.34 H new ATOM 1896 N ASP B 28 138.302 9.894 -5.910 1.00 0.86 N ATOM 1897 CA ASP B 28 139.599 10.214 -6.563 1.00 0.89 C ATOM 1898 C ASP B 28 140.608 9.100 -6.283 1.00 0.82 C ATOM 1899 O ASP B 28 141.519 8.871 -7.052 1.00 0.86 O ATOM 1900 CB ASP B 28 140.052 11.525 -5.919 1.00 1.04 C ATOM 1901 CG ASP B 28 141.131 12.176 -6.785 1.00 1.25 C ATOM 1902 OD1 ASP B 28 141.533 11.560 -7.759 1.00 1.66 O ATOM 1903 OD2 ASP B 28 141.538 13.279 -6.460 1.00 1.76 O ATOM 0 H ASP B 28 138.078 10.465 -5.095 1.00 0.86 H new ATOM 0 HA ASP B 28 139.512 10.304 -7.646 1.00 0.89 H new ATOM 0 HB2 ASP B 28 139.203 12.200 -5.809 1.00 1.04 H new ATOM 0 HB3 ASP B 28 140.440 11.335 -4.918 1.00 1.04 H new ATOM 1908 N SER B 29 140.446 8.391 -5.196 1.00 0.76 N ATOM 1909 CA SER B 29 141.393 7.284 -4.895 1.00 0.76 C ATOM 1910 C SER B 29 141.142 6.151 -5.882 1.00 0.71 C ATOM 1911 O SER B 29 142.046 5.466 -6.315 1.00 0.76 O ATOM 1912 CB SER B 29 141.056 6.844 -3.471 1.00 0.83 C ATOM 1913 OG SER B 29 140.700 7.984 -2.701 1.00 1.24 O ATOM 0 H SER B 29 139.704 8.531 -4.510 1.00 0.76 H new ATOM 0 HA SER B 29 142.439 7.578 -4.979 1.00 0.76 H new ATOM 0 HB2 SER B 29 140.234 6.128 -3.484 1.00 0.83 H new ATOM 0 HB3 SER B 29 141.911 6.339 -3.022 1.00 0.83 H new ATOM 0 HG SER B 29 140.363 7.696 -1.827 1.00 1.24 H new ATOM 1919 N VAL B 30 139.909 5.967 -6.246 1.00 0.70 N ATOM 1920 CA VAL B 30 139.560 4.900 -7.213 1.00 0.72 C ATOM 1921 C VAL B 30 139.157 5.542 -8.542 1.00 0.75 C ATOM 1922 O VAL B 30 138.002 5.845 -8.759 1.00 0.79 O ATOM 1923 CB VAL B 30 138.378 4.196 -6.561 1.00 0.76 C ATOM 1924 CG1 VAL B 30 137.615 3.399 -7.611 1.00 0.85 C ATOM 1925 CG2 VAL B 30 138.892 3.263 -5.465 1.00 0.83 C ATOM 0 H VAL B 30 139.119 6.518 -5.910 1.00 0.70 H new ATOM 0 HA VAL B 30 140.377 4.212 -7.429 1.00 0.72 H new ATOM 0 HB VAL B 30 137.706 4.933 -6.121 1.00 0.76 H new ATOM 0 HG11 VAL B 30 136.769 2.896 -7.142 1.00 0.85 H new ATOM 0 HG12 VAL B 30 137.252 4.073 -8.387 1.00 0.85 H new ATOM 0 HG13 VAL B 30 138.277 2.657 -8.057 1.00 0.85 H new ATOM 0 HG21 VAL B 30 138.050 2.756 -4.994 1.00 0.83 H new ATOM 0 HG22 VAL B 30 139.563 2.523 -5.902 1.00 0.83 H new ATOM 0 HG23 VAL B 30 139.431 3.844 -4.716 1.00 0.83 H new ATOM 2095 N GLN B 42 129.721 5.250 -3.516 1.00 0.77 N ATOM 2096 CA GLN B 42 130.494 4.517 -4.554 1.00 0.96 C ATOM 2097 C GLN B 42 131.875 4.082 -4.043 1.00 0.95 C ATOM 2098 O GLN B 42 132.311 2.964 -4.285 1.00 1.18 O ATOM 2099 CB GLN B 42 130.630 5.510 -5.700 1.00 1.18 C ATOM 2100 CG GLN B 42 129.258 6.095 -6.036 1.00 1.42 C ATOM 2101 CD GLN B 42 129.406 7.121 -7.158 1.00 1.68 C ATOM 2102 OE1 GLN B 42 130.444 7.060 -7.946 1.00 2.48 O flip ATOM 2103 NE2 GLN B 42 128.571 7.989 -7.321 1.00 1.73 N flip ATOM 0 HA GLN B 42 129.993 3.596 -4.851 1.00 0.96 H new ATOM 0 HB2 GLN B 42 131.319 6.308 -5.423 1.00 1.18 H new ATOM 0 HB3 GLN B 42 131.050 5.015 -6.576 1.00 1.18 H new ATOM 0 HG2 GLN B 42 128.577 5.301 -6.342 1.00 1.42 H new ATOM 0 HG3 GLN B 42 128.824 6.565 -5.153 1.00 1.42 H new ATOM 0 HE21 GLN B 42 127.759 8.038 -6.706 1.00 1.73 H new ATOM 0 HE22 GLN B 42 128.682 8.669 -8.073 1.00 1.73 H new ATOM 2112 N ILE B 43 132.586 4.928 -3.347 1.00 0.85 N ATOM 2113 CA ILE B 43 133.922 4.495 -2.877 1.00 0.92 C ATOM 2114 C ILE B 43 133.769 3.489 -1.745 1.00 0.82 C ATOM 2115 O ILE B 43 134.360 2.444 -1.779 1.00 0.75 O ATOM 2116 CB ILE B 43 134.651 5.753 -2.409 1.00 1.18 C ATOM 2117 CG1 ILE B 43 134.338 6.919 -3.353 1.00 1.66 C ATOM 2118 CG2 ILE B 43 136.158 5.482 -2.436 1.00 1.84 C ATOM 2119 CD1 ILE B 43 133.596 8.016 -2.590 1.00 2.40 C ATOM 0 H ILE B 43 132.305 5.875 -3.091 1.00 0.85 H new ATOM 0 HA ILE B 43 134.489 4.004 -3.668 1.00 0.92 H new ATOM 0 HB ILE B 43 134.326 6.010 -1.401 1.00 1.18 H new ATOM 0 HG12 ILE B 43 135.262 7.317 -3.774 1.00 1.66 H new ATOM 0 HG13 ILE B 43 133.731 6.570 -4.189 1.00 1.66 H new ATOM 0 HG21 ILE B 43 136.694 6.371 -2.104 1.00 1.84 H new ATOM 0 HG22 ILE B 43 136.390 4.650 -1.771 1.00 1.84 H new ATOM 0 HG23 ILE B 43 136.465 5.232 -3.452 1.00 1.84 H new ATOM 0 HD11 ILE B 43 133.375 8.843 -3.265 1.00 2.40 H new ATOM 0 HD12 ILE B 43 132.664 7.615 -2.191 1.00 2.40 H new ATOM 0 HD13 ILE B 43 134.218 8.373 -1.770 1.00 2.40 H new ATOM 2131 N LEU B 44 132.970 3.781 -0.753 1.00 0.90 N ATOM 2132 CA LEU B 44 132.791 2.804 0.371 1.00 0.90 C ATOM 2133 C LEU B 44 132.837 1.379 -0.173 1.00 0.79 C ATOM 2134 O LEU B 44 133.494 0.511 0.371 1.00 0.73 O ATOM 2135 CB LEU B 44 131.420 3.110 0.962 1.00 0.99 C ATOM 2136 CG LEU B 44 131.569 4.198 2.019 1.00 0.91 C ATOM 2137 CD1 LEU B 44 132.243 5.415 1.399 1.00 0.84 C ATOM 2138 CD2 LEU B 44 130.196 4.598 2.535 1.00 1.55 C ATOM 0 H LEU B 44 132.436 4.646 -0.669 1.00 0.90 H new ATOM 0 HA LEU B 44 133.576 2.889 1.122 1.00 0.90 H new ATOM 0 HB2 LEU B 44 130.736 3.437 0.179 1.00 0.99 H new ATOM 0 HB3 LEU B 44 130.991 2.211 1.405 1.00 0.99 H new ATOM 0 HG LEU B 44 132.174 3.821 2.844 1.00 0.91 H new ATOM 0 HD11 LEU B 44 132.351 6.195 2.153 1.00 0.84 H new ATOM 0 HD12 LEU B 44 133.227 5.134 1.024 1.00 0.84 H new ATOM 0 HD13 LEU B 44 131.634 5.788 0.576 1.00 0.84 H new ATOM 0 HD21 LEU B 44 130.304 5.376 3.291 1.00 1.55 H new ATOM 0 HD22 LEU B 44 129.593 4.975 1.709 1.00 1.55 H new ATOM 0 HD23 LEU B 44 129.706 3.730 2.975 1.00 1.55 H new ATOM 2150 N ASP B 45 132.176 1.150 -1.273 1.00 0.91 N ATOM 2151 CA ASP B 45 132.209 -0.199 -1.888 1.00 0.87 C ATOM 2152 C ASP B 45 133.650 -0.523 -2.282 1.00 0.73 C ATOM 2153 O ASP B 45 134.185 -1.553 -1.926 1.00 0.66 O ATOM 2154 CB ASP B 45 131.317 -0.095 -3.126 1.00 1.04 C ATOM 2155 CG ASP B 45 130.425 -1.333 -3.219 1.00 1.80 C ATOM 2156 OD1 ASP B 45 130.849 -2.379 -2.754 1.00 2.49 O ATOM 2157 OD2 ASP B 45 129.334 -1.216 -3.752 1.00 2.42 O ATOM 0 H ASP B 45 131.615 1.841 -1.771 1.00 0.91 H new ATOM 0 HA ASP B 45 131.863 -0.986 -1.218 1.00 0.87 H new ATOM 0 HB2 ASP B 45 130.704 0.804 -3.071 1.00 1.04 H new ATOM 0 HB3 ASP B 45 131.930 -0.008 -4.023 1.00 1.04 H new ATOM 2162 N LYS B 46 134.291 0.363 -3.000 1.00 0.78 N ATOM 2163 CA LYS B 46 135.709 0.106 -3.399 1.00 0.75 C ATOM 2164 C LYS B 46 136.658 0.458 -2.242 1.00 0.65 C ATOM 2165 O LYS B 46 137.482 -0.340 -1.843 1.00 0.75 O ATOM 2166 CB LYS B 46 135.953 1.015 -4.604 1.00 0.90 C ATOM 2167 CG LYS B 46 134.892 0.739 -5.673 1.00 1.35 C ATOM 2168 CD LYS B 46 134.884 -0.754 -6.014 1.00 1.43 C ATOM 2169 CE LYS B 46 133.764 -1.045 -7.017 1.00 1.86 C ATOM 2170 NZ LYS B 46 133.285 -2.412 -6.672 1.00 2.14 N ATOM 0 H LYS B 46 133.899 1.247 -3.325 1.00 0.78 H new ATOM 0 HA LYS B 46 135.889 -0.941 -3.642 1.00 0.75 H new ATOM 0 HB2 LYS B 46 135.914 2.061 -4.298 1.00 0.90 H new ATOM 0 HB3 LYS B 46 136.949 0.839 -5.010 1.00 0.90 H new ATOM 0 HG2 LYS B 46 133.910 1.046 -5.313 1.00 1.35 H new ATOM 0 HG3 LYS B 46 135.101 1.326 -6.568 1.00 1.35 H new ATOM 0 HD2 LYS B 46 135.847 -1.047 -6.433 1.00 1.43 H new ATOM 0 HD3 LYS B 46 134.738 -1.343 -5.109 1.00 1.43 H new ATOM 0 HE2 LYS B 46 132.961 -0.313 -6.935 1.00 1.86 H new ATOM 0 HE3 LYS B 46 134.131 -1.002 -8.042 1.00 1.86 H new ATOM 0 HZ1 LYS B 46 132.515 -2.683 -7.317 1.00 2.14 H new ATOM 0 HZ2 LYS B 46 134.069 -3.089 -6.765 1.00 2.14 H new ATOM 0 HZ3 LYS B 46 132.935 -2.420 -5.693 1.00 2.14 H new ATOM 2184 N ALA B 47 136.534 1.645 -1.709 1.00 0.57 N ATOM 2185 CA ALA B 47 137.399 2.087 -0.573 1.00 0.61 C ATOM 2186 C ALA B 47 137.785 0.909 0.325 1.00 0.68 C ATOM 2187 O ALA B 47 138.951 0.654 0.560 1.00 0.71 O ATOM 2188 CB ALA B 47 136.538 3.086 0.205 1.00 0.67 C ATOM 0 H ALA B 47 135.856 2.341 -2.019 1.00 0.57 H new ATOM 0 HA ALA B 47 138.335 2.522 -0.925 1.00 0.61 H new ATOM 0 HB1 ALA B 47 137.100 3.462 1.060 1.00 0.67 H new ATOM 0 HB2 ALA B 47 136.268 3.918 -0.446 1.00 0.67 H new ATOM 0 HB3 ALA B 47 135.632 2.591 0.555 1.00 0.67 H new ATOM 2194 N THR B 48 136.823 0.187 0.834 1.00 0.77 N ATOM 2195 CA THR B 48 137.164 -0.962 1.719 1.00 0.92 C ATOM 2196 C THR B 48 137.578 -2.181 0.882 1.00 0.85 C ATOM 2197 O THR B 48 138.630 -2.749 1.096 1.00 0.91 O ATOM 2198 CB THR B 48 135.896 -1.214 2.552 1.00 1.09 C ATOM 2199 OG1 THR B 48 136.179 -0.911 3.910 1.00 2.02 O ATOM 2200 CG2 THR B 48 135.438 -2.674 2.452 1.00 1.20 C ATOM 0 H THR B 48 135.827 0.341 0.677 1.00 0.77 H new ATOM 0 HA THR B 48 138.016 -0.759 2.368 1.00 0.92 H new ATOM 0 HB THR B 48 135.097 -0.581 2.167 1.00 1.09 H new ATOM 0 HG1 THR B 48 136.354 -1.741 4.401 1.00 2.02 H new ATOM 0 HG21 THR B 48 134.540 -2.816 3.053 1.00 1.20 H new ATOM 0 HG22 THR B 48 135.221 -2.917 1.412 1.00 1.20 H new ATOM 0 HG23 THR B 48 136.228 -3.329 2.820 1.00 1.20 H new ATOM 2208 N GLU B 49 136.773 -2.594 -0.066 1.00 0.78 N ATOM 2209 CA GLU B 49 137.168 -3.776 -0.886 1.00 0.81 C ATOM 2210 C GLU B 49 138.635 -3.624 -1.297 1.00 0.70 C ATOM 2211 O GLU B 49 139.354 -4.591 -1.456 1.00 0.72 O ATOM 2212 CB GLU B 49 136.225 -3.776 -2.101 1.00 0.83 C ATOM 2213 CG GLU B 49 136.855 -3.026 -3.281 1.00 1.22 C ATOM 2214 CD GLU B 49 137.848 -3.945 -3.996 1.00 1.67 C ATOM 2215 OE1 GLU B 49 138.099 -5.025 -3.485 1.00 2.27 O ATOM 2216 OE2 GLU B 49 138.340 -3.554 -5.042 1.00 2.27 O ATOM 0 H GLU B 49 135.876 -2.171 -0.303 1.00 0.78 H new ATOM 0 HA GLU B 49 137.083 -4.720 -0.347 1.00 0.81 H new ATOM 0 HB2 GLU B 49 136.002 -4.802 -2.394 1.00 0.83 H new ATOM 0 HB3 GLU B 49 135.278 -3.309 -1.832 1.00 0.83 H new ATOM 0 HG2 GLU B 49 136.080 -2.700 -3.975 1.00 1.22 H new ATOM 0 HG3 GLU B 49 137.363 -2.129 -2.927 1.00 1.22 H new ATOM 2223 N TYR B 50 139.085 -2.406 -1.440 1.00 0.70 N ATOM 2224 CA TYR B 50 140.506 -2.171 -1.807 1.00 0.67 C ATOM 2225 C TYR B 50 141.391 -2.482 -0.599 1.00 0.61 C ATOM 2226 O TYR B 50 142.375 -3.186 -0.700 1.00 0.58 O ATOM 2227 CB TYR B 50 140.584 -0.685 -2.159 1.00 0.88 C ATOM 2228 CG TYR B 50 140.505 -0.513 -3.656 1.00 0.71 C ATOM 2229 CD1 TYR B 50 139.270 -0.611 -4.308 1.00 1.56 C ATOM 2230 CD2 TYR B 50 141.667 -0.255 -4.393 1.00 1.38 C ATOM 2231 CE1 TYR B 50 139.197 -0.450 -5.696 1.00 1.86 C ATOM 2232 CE2 TYR B 50 141.594 -0.094 -5.781 1.00 1.82 C ATOM 2233 CZ TYR B 50 140.358 -0.192 -6.433 1.00 1.72 C ATOM 2234 OH TYR B 50 140.286 -0.033 -7.802 1.00 2.36 O ATOM 0 H TYR B 50 138.525 -1.562 -1.317 1.00 0.70 H new ATOM 0 HA TYR B 50 140.841 -2.797 -2.634 1.00 0.67 H new ATOM 0 HB2 TYR B 50 139.769 -0.144 -1.677 1.00 0.88 H new ATOM 0 HB3 TYR B 50 141.515 -0.261 -1.783 1.00 0.88 H new ATOM 0 HD1 TYR B 50 138.374 -0.811 -3.740 1.00 1.56 H new ATOM 0 HD2 TYR B 50 142.620 -0.180 -3.890 1.00 1.38 H new ATOM 0 HE1 TYR B 50 138.244 -0.525 -6.199 1.00 1.86 H new ATOM 0 HE2 TYR B 50 142.490 0.106 -6.350 1.00 1.82 H new ATOM 0 HH TYR B 50 141.182 0.141 -8.159 1.00 2.36 H new ATOM 2244 N ILE B 51 141.035 -1.968 0.549 1.00 0.70 N ATOM 2245 CA ILE B 51 141.843 -2.239 1.772 1.00 0.76 C ATOM 2246 C ILE B 51 141.964 -3.748 1.994 1.00 0.70 C ATOM 2247 O ILE B 51 143.027 -4.322 1.867 1.00 0.76 O ATOM 2248 CB ILE B 51 141.057 -1.599 2.917 1.00 0.98 C ATOM 2249 CG1 ILE B 51 141.069 -0.078 2.759 1.00 1.05 C ATOM 2250 CG2 ILE B 51 141.698 -1.975 4.254 1.00 1.33 C ATOM 2251 CD1 ILE B 51 140.242 0.555 3.879 1.00 0.74 C ATOM 0 H ILE B 51 140.219 -1.372 0.691 1.00 0.70 H new ATOM 0 HA ILE B 51 142.854 -1.840 1.696 1.00 0.76 H new ATOM 0 HB ILE B 51 140.029 -1.960 2.893 1.00 0.98 H new ATOM 0 HG12 ILE B 51 142.093 0.294 2.793 1.00 1.05 H new ATOM 0 HG13 ILE B 51 140.660 0.201 1.788 1.00 1.05 H new ATOM 0 HG21 ILE B 51 141.136 -1.518 5.068 1.00 1.33 H new ATOM 0 HG22 ILE B 51 141.688 -3.059 4.370 1.00 1.33 H new ATOM 0 HG23 ILE B 51 142.727 -1.617 4.278 1.00 1.33 H new ATOM 0 HD11 ILE B 51 140.249 1.639 3.768 1.00 0.74 H new ATOM 0 HD12 ILE B 51 139.216 0.191 3.824 1.00 0.74 H new ATOM 0 HD13 ILE B 51 140.671 0.286 4.844 1.00 0.74 H new ATOM 2263 N GLN B 52 140.877 -4.393 2.326 1.00 0.69 N ATOM 2264 CA GLN B 52 140.921 -5.866 2.557 1.00 0.73 C ATOM 2265 C GLN B 52 141.787 -6.540 1.490 1.00 0.67 C ATOM 2266 O GLN B 52 142.772 -7.183 1.792 1.00 0.74 O ATOM 2267 CB GLN B 52 139.468 -6.328 2.439 1.00 0.83 C ATOM 2268 CG GLN B 52 138.607 -5.583 3.461 1.00 1.34 C ATOM 2269 CD GLN B 52 137.272 -6.311 3.632 1.00 1.77 C ATOM 2270 OE1 GLN B 52 136.938 -7.181 2.853 1.00 2.49 O ATOM 2271 NE2 GLN B 52 136.490 -5.990 4.627 1.00 1.98 N ATOM 0 H GLN B 52 139.960 -3.963 2.447 1.00 0.69 H new ATOM 0 HA GLN B 52 141.352 -6.121 3.525 1.00 0.73 H new ATOM 0 HB2 GLN B 52 139.097 -6.141 1.431 1.00 0.83 H new ATOM 0 HB3 GLN B 52 139.403 -7.403 2.608 1.00 0.83 H new ATOM 0 HG2 GLN B 52 139.127 -5.526 4.417 1.00 1.34 H new ATOM 0 HG3 GLN B 52 138.435 -4.559 3.130 1.00 1.34 H new ATOM 0 HE21 GLN B 52 136.771 -5.259 5.281 1.00 1.98 H new ATOM 0 HE22 GLN B 52 135.598 -6.470 4.750 1.00 1.98 H new ATOM 2280 N TYR B 53 141.427 -6.395 0.245 1.00 0.62 N ATOM 2281 CA TYR B 53 142.230 -7.025 -0.842 1.00 0.65 C ATOM 2282 C TYR B 53 143.685 -6.550 -0.766 1.00 0.62 C ATOM 2283 O TYR B 53 144.575 -7.299 -0.412 1.00 0.75 O ATOM 2284 CB TYR B 53 141.572 -6.552 -2.141 1.00 0.69 C ATOM 2285 CG TYR B 53 142.524 -6.752 -3.297 1.00 0.75 C ATOM 2286 CD1 TYR B 53 142.672 -8.019 -3.873 1.00 1.43 C ATOM 2287 CD2 TYR B 53 143.257 -5.668 -3.793 1.00 1.42 C ATOM 2288 CE1 TYR B 53 143.555 -8.203 -4.943 1.00 1.48 C ATOM 2289 CE2 TYR B 53 144.141 -5.851 -4.864 1.00 1.48 C ATOM 2290 CZ TYR B 53 144.288 -7.118 -5.440 1.00 0.93 C ATOM 2291 OH TYR B 53 145.159 -7.299 -6.495 1.00 1.04 O ATOM 0 H TYR B 53 140.612 -5.868 -0.067 1.00 0.62 H new ATOM 0 HA TYR B 53 142.250 -8.112 -0.769 1.00 0.65 H new ATOM 0 HB2 TYR B 53 140.650 -7.107 -2.316 1.00 0.69 H new ATOM 0 HB3 TYR B 53 141.300 -5.500 -2.060 1.00 0.69 H new ATOM 0 HD1 TYR B 53 142.105 -8.855 -3.492 1.00 1.43 H new ATOM 0 HD2 TYR B 53 143.141 -4.690 -3.350 1.00 1.42 H new ATOM 0 HE1 TYR B 53 143.671 -9.181 -5.385 1.00 1.48 H new ATOM 0 HE2 TYR B 53 144.709 -5.015 -5.245 1.00 1.48 H new ATOM 0 HH TYR B 53 145.586 -6.445 -6.717 1.00 1.04 H new ATOM 2301 N MET B 54 143.935 -5.313 -1.099 1.00 0.54 N ATOM 2302 CA MET B 54 145.332 -4.794 -1.049 1.00 0.57 C ATOM 2303 C MET B 54 145.999 -5.188 0.272 1.00 0.52 C ATOM 2304 O MET B 54 147.028 -5.833 0.288 1.00 0.51 O ATOM 2305 CB MET B 54 145.197 -3.274 -1.149 1.00 0.70 C ATOM 2306 CG MET B 54 144.796 -2.891 -2.575 1.00 0.94 C ATOM 2307 SD MET B 54 145.663 -1.377 -3.058 1.00 0.96 S ATOM 2308 CE MET B 54 145.938 -1.816 -4.792 1.00 0.77 C ATOM 0 H MET B 54 143.232 -4.639 -1.404 1.00 0.54 H new ATOM 0 HA MET B 54 145.950 -5.201 -1.849 1.00 0.57 H new ATOM 0 HB2 MET B 54 144.449 -2.917 -0.441 1.00 0.70 H new ATOM 0 HB3 MET B 54 146.140 -2.796 -0.884 1.00 0.70 H new ATOM 0 HG2 MET B 54 145.042 -3.699 -3.263 1.00 0.94 H new ATOM 0 HG3 MET B 54 143.718 -2.740 -2.633 1.00 0.94 H new ATOM 0 HE1 MET B 54 146.470 -1.007 -5.292 1.00 0.77 H new ATOM 0 HE2 MET B 54 146.532 -2.728 -4.847 1.00 0.77 H new ATOM 0 HE3 MET B 54 144.978 -1.978 -5.283 1.00 0.77 H new ATOM 2318 N ARG B 55 145.423 -4.806 1.380 1.00 0.57 N ATOM 2319 CA ARG B 55 146.030 -5.162 2.695 1.00 0.58 C ATOM 2320 C ARG B 55 146.503 -6.617 2.678 1.00 0.56 C ATOM 2321 O ARG B 55 147.677 -6.900 2.811 1.00 0.58 O ATOM 2322 CB ARG B 55 144.910 -4.972 3.718 1.00 0.69 C ATOM 2323 CG ARG B 55 145.512 -4.875 5.122 1.00 0.77 C ATOM 2324 CD ARG B 55 145.783 -6.281 5.660 1.00 1.42 C ATOM 2325 NE ARG B 55 145.988 -6.100 7.124 1.00 1.43 N ATOM 2326 CZ ARG B 55 146.629 -7.006 7.810 1.00 1.84 C ATOM 2327 NH1 ARG B 55 146.393 -8.272 7.600 1.00 2.35 N ATOM 2328 NH2 ARG B 55 147.506 -6.646 8.707 1.00 2.53 N ATOM 0 H ARG B 55 144.560 -4.264 1.432 1.00 0.57 H new ATOM 0 HA ARG B 55 146.899 -4.547 2.929 1.00 0.58 H new ATOM 0 HB2 ARG B 55 144.344 -4.069 3.490 1.00 0.69 H new ATOM 0 HB3 ARG B 55 144.211 -5.807 3.667 1.00 0.69 H new ATOM 0 HG2 ARG B 55 146.438 -4.301 5.093 1.00 0.77 H new ATOM 0 HG3 ARG B 55 144.829 -4.345 5.786 1.00 0.77 H new ATOM 0 HD2 ARG B 55 144.946 -6.949 5.458 1.00 1.42 H new ATOM 0 HD3 ARG B 55 146.662 -6.721 5.190 1.00 1.42 H new ATOM 0 HE ARG B 55 145.627 -5.268 7.590 1.00 1.43 H new ATOM 0 HH11 ARG B 55 145.707 -8.554 6.899 1.00 2.35 H new ATOM 0 HH12 ARG B 55 146.894 -8.980 8.136 1.00 2.35 H new ATOM 0 HH21 ARG B 55 147.690 -5.656 8.872 1.00 2.53 H new ATOM 0 HH22 ARG B 55 148.007 -7.354 9.243 1.00 2.53 H new ATOM 2342 N ARG B 56 145.599 -7.543 2.508 1.00 0.57 N ATOM 2343 CA ARG B 56 146.004 -8.977 2.476 1.00 0.59 C ATOM 2344 C ARG B 56 147.136 -9.175 1.466 1.00 0.53 C ATOM 2345 O ARG B 56 148.000 -10.010 1.641 1.00 0.58 O ATOM 2346 CB ARG B 56 144.751 -9.735 2.035 1.00 0.67 C ATOM 2347 CG ARG B 56 144.108 -10.411 3.248 1.00 1.04 C ATOM 2348 CD ARG B 56 144.843 -11.718 3.554 1.00 1.63 C ATOM 2349 NE ARG B 56 144.319 -12.696 2.561 1.00 2.02 N ATOM 2350 CZ ARG B 56 143.113 -13.178 2.694 1.00 2.50 C ATOM 2351 NH1 ARG B 56 142.905 -14.213 3.461 1.00 3.10 N ATOM 2352 NH2 ARG B 56 142.116 -12.626 2.059 1.00 2.99 N ATOM 0 H ARG B 56 144.601 -7.369 2.390 1.00 0.57 H new ATOM 0 HA ARG B 56 146.370 -9.328 3.441 1.00 0.59 H new ATOM 0 HB2 ARG B 56 144.043 -9.049 1.570 1.00 0.67 H new ATOM 0 HB3 ARG B 56 145.010 -10.482 1.285 1.00 0.67 H new ATOM 0 HG2 ARG B 56 144.149 -9.747 4.112 1.00 1.04 H new ATOM 0 HG3 ARG B 56 143.055 -10.611 3.050 1.00 1.04 H new ATOM 0 HD2 ARG B 56 145.922 -11.596 3.457 1.00 1.63 H new ATOM 0 HD3 ARG B 56 144.650 -12.050 4.574 1.00 1.63 H new ATOM 0 HE ARG B 56 144.902 -12.989 1.777 1.00 2.02 H new ATOM 0 HH11 ARG B 56 143.685 -14.645 3.957 1.00 3.10 H new ATOM 0 HH12 ARG B 56 141.963 -14.590 3.565 1.00 3.10 H new ATOM 0 HH21 ARG B 56 142.279 -11.818 1.458 1.00 2.99 H new ATOM 0 HH22 ARG B 56 141.174 -13.003 2.163 1.00 2.99 H new ATOM 2366 N LYS B 57 147.139 -8.405 0.411 1.00 0.51 N ATOM 2367 CA LYS B 57 148.216 -8.541 -0.611 1.00 0.53 C ATOM 2368 C LYS B 57 149.513 -7.917 -0.091 1.00 0.50 C ATOM 2369 O LYS B 57 150.538 -8.564 -0.014 1.00 0.54 O ATOM 2370 CB LYS B 57 147.703 -7.775 -1.831 1.00 0.60 C ATOM 2371 CG LYS B 57 147.411 -8.757 -2.968 1.00 0.93 C ATOM 2372 CD LYS B 57 146.371 -9.780 -2.506 1.00 0.84 C ATOM 2373 CE LYS B 57 146.648 -11.128 -3.177 1.00 1.28 C ATOM 2374 NZ LYS B 57 145.973 -11.043 -4.502 1.00 1.52 N ATOM 0 H LYS B 57 146.442 -7.687 0.213 1.00 0.51 H new ATOM 0 HA LYS B 57 148.435 -9.582 -0.848 1.00 0.53 H new ATOM 0 HB2 LYS B 57 146.799 -7.223 -1.573 1.00 0.60 H new ATOM 0 HB3 LYS B 57 148.444 -7.042 -2.151 1.00 0.60 H new ATOM 0 HG2 LYS B 57 147.044 -8.219 -3.842 1.00 0.93 H new ATOM 0 HG3 LYS B 57 148.328 -9.265 -3.268 1.00 0.93 H new ATOM 0 HD2 LYS B 57 146.407 -9.887 -1.422 1.00 0.84 H new ATOM 0 HD3 LYS B 57 145.368 -9.435 -2.759 1.00 0.84 H new ATOM 0 HE2 LYS B 57 147.718 -11.301 -3.289 1.00 1.28 H new ATOM 0 HE3 LYS B 57 146.252 -11.953 -2.584 1.00 1.28 H new ATOM 0 HZ1 LYS B 57 146.118 -11.931 -5.023 1.00 1.52 H new ATOM 0 HZ2 LYS B 57 144.954 -10.885 -4.363 1.00 1.52 H new ATOM 0 HZ3 LYS B 57 146.375 -10.253 -5.046 1.00 1.52 H new ATOM 2388 N VAL B 58 149.476 -6.663 0.270 1.00 0.52 N ATOM 2389 CA VAL B 58 150.707 -5.999 0.787 1.00 0.60 C ATOM 2390 C VAL B 58 151.416 -6.915 1.788 1.00 0.61 C ATOM 2391 O VAL B 58 152.615 -7.099 1.734 1.00 0.74 O ATOM 2392 CB VAL B 58 150.209 -4.729 1.478 1.00 0.71 C ATOM 2393 CG1 VAL B 58 151.399 -3.963 2.060 1.00 0.86 C ATOM 2394 CG2 VAL B 58 149.485 -3.847 0.459 1.00 0.76 C ATOM 0 H VAL B 58 148.647 -6.070 0.229 1.00 0.52 H new ATOM 0 HA VAL B 58 151.424 -5.777 -0.004 1.00 0.60 H new ATOM 0 HB VAL B 58 149.523 -4.998 2.281 1.00 0.71 H new ATOM 0 HG11 VAL B 58 151.043 -3.058 2.552 1.00 0.86 H new ATOM 0 HG12 VAL B 58 151.917 -4.591 2.785 1.00 0.86 H new ATOM 0 HG13 VAL B 58 152.086 -3.694 1.258 1.00 0.86 H new ATOM 0 HG21 VAL B 58 149.129 -2.941 0.950 1.00 0.76 H new ATOM 0 HG22 VAL B 58 150.172 -3.579 -0.344 1.00 0.76 H new ATOM 0 HG23 VAL B 58 148.637 -4.392 0.044 1.00 0.76 H new ATOM 2404 N HIS B 59 150.681 -7.494 2.698 1.00 0.57 N ATOM 2405 CA HIS B 59 151.311 -8.401 3.699 1.00 0.67 C ATOM 2406 C HIS B 59 151.981 -9.581 2.990 1.00 0.63 C ATOM 2407 O HIS B 59 153.156 -9.838 3.163 1.00 0.71 O ATOM 2408 CB HIS B 59 150.155 -8.889 4.572 1.00 0.75 C ATOM 2409 CG HIS B 59 150.505 -8.701 6.022 1.00 0.96 C ATOM 2410 ND1 HIS B 59 149.733 -8.432 7.125 1.00 1.53 N flip ATOM 2411 CD2 HIS B 59 151.809 -8.787 6.486 1.00 1.68 C flip ATOM 2412 CE1 HIS B 59 150.541 -8.352 8.255 1.00 1.83 C flip ATOM 2413 NE2 HIS B 59 151.782 -8.574 7.814 1.00 1.96 N flip ATOM 0 H HIS B 59 149.672 -7.378 2.792 1.00 0.57 H new ATOM 0 HA HIS B 59 152.082 -7.900 4.285 1.00 0.67 H new ATOM 0 HB2 HIS B 59 149.246 -8.337 4.332 1.00 0.75 H new ATOM 0 HB3 HIS B 59 149.952 -9.941 4.370 1.00 0.75 H new ATOM 0 HD2 HIS B 59 152.687 -8.988 5.890 1.00 1.68 H new ATOM 0 HE1 HIS B 59 150.231 -8.153 9.270 1.00 1.83 H new ATOM 0 HE2 HIS B 59 152.609 -8.581 8.411 1.00 1.96 H new ATOM 2421 N THR B 60 151.241 -10.299 2.190 1.00 0.59 N ATOM 2422 CA THR B 60 151.832 -11.462 1.467 1.00 0.64 C ATOM 2423 C THR B 60 152.929 -10.986 0.510 1.00 0.59 C ATOM 2424 O THR B 60 153.979 -11.589 0.404 1.00 0.67 O ATOM 2425 CB THR B 60 150.668 -12.073 0.685 1.00 0.69 C ATOM 2426 OG1 THR B 60 149.900 -11.033 0.096 1.00 0.74 O ATOM 2427 CG2 THR B 60 149.787 -12.888 1.631 1.00 0.84 C ATOM 0 H THR B 60 150.252 -10.131 2.005 1.00 0.59 H new ATOM 0 HA THR B 60 152.291 -12.181 2.145 1.00 0.64 H new ATOM 0 HB THR B 60 151.057 -12.726 -0.096 1.00 0.69 H new ATOM 0 HG1 THR B 60 149.059 -10.928 0.589 1.00 0.74 H new ATOM 0 HG21 THR B 60 148.958 -13.323 1.072 1.00 0.84 H new ATOM 0 HG22 THR B 60 150.378 -13.685 2.082 1.00 0.84 H new ATOM 0 HG23 THR B 60 149.396 -12.238 2.414 1.00 0.84 H new ATOM 2435 N LEU B 61 152.692 -9.910 -0.188 1.00 0.52 N ATOM 2436 CA LEU B 61 153.719 -9.396 -1.138 1.00 0.55 C ATOM 2437 C LEU B 61 155.000 -9.032 -0.383 1.00 0.52 C ATOM 2438 O LEU B 61 156.053 -9.588 -0.627 1.00 0.51 O ATOM 2439 CB LEU B 61 153.092 -8.149 -1.763 1.00 0.60 C ATOM 2440 CG LEU B 61 152.057 -8.568 -2.808 1.00 0.73 C ATOM 2441 CD1 LEU B 61 151.195 -7.362 -3.186 1.00 1.05 C ATOM 2442 CD2 LEU B 61 152.775 -9.090 -4.054 1.00 1.06 C ATOM 0 H LEU B 61 151.832 -9.364 -0.142 1.00 0.52 H new ATOM 0 HA LEU B 61 153.993 -10.135 -1.891 1.00 0.55 H new ATOM 0 HB2 LEU B 61 152.620 -7.541 -0.992 1.00 0.60 H new ATOM 0 HB3 LEU B 61 153.864 -7.534 -2.226 1.00 0.60 H new ATOM 0 HG LEU B 61 151.423 -9.353 -2.396 1.00 0.73 H new ATOM 0 HD11 LEU B 61 150.457 -7.661 -3.931 1.00 1.05 H new ATOM 0 HD12 LEU B 61 150.684 -6.988 -2.299 1.00 1.05 H new ATOM 0 HD13 LEU B 61 151.829 -6.577 -3.598 1.00 1.05 H new ATOM 0 HD21 LEU B 61 152.039 -9.389 -4.800 1.00 1.06 H new ATOM 0 HD22 LEU B 61 153.409 -8.304 -4.465 1.00 1.06 H new ATOM 0 HD23 LEU B 61 153.390 -9.949 -3.786 1.00 1.06 H new ATOM 2454 N GLN B 62 154.918 -8.102 0.530 1.00 0.53 N ATOM 2455 CA GLN B 62 156.130 -7.699 1.300 1.00 0.56 C ATOM 2456 C GLN B 62 156.943 -8.934 1.700 1.00 0.56 C ATOM 2457 O GLN B 62 158.074 -9.102 1.292 1.00 0.56 O ATOM 2458 CB GLN B 62 155.592 -6.989 2.543 1.00 0.62 C ATOM 2459 CG GLN B 62 155.816 -5.481 2.409 1.00 0.69 C ATOM 2460 CD GLN B 62 155.840 -4.843 3.799 1.00 1.06 C ATOM 2461 OE1 GLN B 62 155.003 -4.022 4.118 1.00 1.52 O ATOM 2462 NE2 GLN B 62 156.771 -5.189 4.646 1.00 1.26 N ATOM 0 H GLN B 62 154.063 -7.603 0.776 1.00 0.53 H new ATOM 0 HA GLN B 62 156.792 -7.059 0.717 1.00 0.56 H new ATOM 0 HB2 GLN B 62 154.529 -7.200 2.664 1.00 0.62 H new ATOM 0 HB3 GLN B 62 156.095 -7.364 3.435 1.00 0.62 H new ATOM 0 HG2 GLN B 62 156.756 -5.287 1.892 1.00 0.69 H new ATOM 0 HG3 GLN B 62 155.023 -5.037 1.807 1.00 0.69 H new ATOM 0 HE21 GLN B 62 157.474 -5.878 4.378 1.00 1.26 H new ATOM 0 HE22 GLN B 62 156.796 -4.770 5.576 1.00 1.26 H new ATOM 2471 N GLN B 63 156.379 -9.796 2.500 1.00 0.57 N ATOM 2472 CA GLN B 63 157.125 -11.016 2.925 1.00 0.61 C ATOM 2473 C GLN B 63 157.854 -11.634 1.729 1.00 0.57 C ATOM 2474 O GLN B 63 158.947 -12.150 1.855 1.00 0.58 O ATOM 2475 CB GLN B 63 156.054 -11.971 3.453 1.00 0.65 C ATOM 2476 CG GLN B 63 155.544 -11.468 4.805 1.00 0.79 C ATOM 2477 CD GLN B 63 156.731 -11.216 5.737 1.00 1.08 C ATOM 2478 OE1 GLN B 63 157.397 -12.142 6.155 1.00 1.50 O ATOM 2479 NE2 GLN B 63 157.026 -9.992 6.082 1.00 1.50 N ATOM 0 H GLN B 63 155.436 -9.710 2.878 1.00 0.57 H new ATOM 0 HA GLN B 63 157.882 -10.796 3.678 1.00 0.61 H new ATOM 0 HB2 GLN B 63 155.229 -12.038 2.743 1.00 0.65 H new ATOM 0 HB3 GLN B 63 156.466 -12.975 3.558 1.00 0.65 H new ATOM 0 HG2 GLN B 63 154.972 -10.550 4.671 1.00 0.79 H new ATOM 0 HG3 GLN B 63 154.870 -12.202 5.247 1.00 0.79 H new ATOM 0 HE21 GLN B 63 156.467 -9.214 5.731 1.00 1.50 H new ATOM 0 HE22 GLN B 63 157.816 -9.813 6.702 1.00 1.50 H new ATOM 2488 N ASP B 64 157.258 -11.584 0.569 1.00 0.55 N ATOM 2489 CA ASP B 64 157.919 -12.168 -0.635 1.00 0.54 C ATOM 2490 C ASP B 64 159.074 -11.271 -1.090 1.00 0.52 C ATOM 2491 O ASP B 64 159.988 -11.710 -1.760 1.00 0.52 O ATOM 2492 CB ASP B 64 156.824 -12.216 -1.701 1.00 0.53 C ATOM 2493 CG ASP B 64 155.584 -12.906 -1.130 1.00 0.67 C ATOM 2494 OD1 ASP B 64 155.703 -13.523 -0.084 1.00 1.22 O ATOM 2495 OD2 ASP B 64 154.537 -12.807 -1.749 1.00 1.39 O ATOM 0 H ASP B 64 156.343 -11.165 0.402 1.00 0.55 H new ATOM 0 HA ASP B 64 158.341 -13.154 -0.439 1.00 0.54 H new ATOM 0 HB2 ASP B 64 156.574 -11.206 -2.026 1.00 0.53 H new ATOM 0 HB3 ASP B 64 157.180 -12.754 -2.579 1.00 0.53 H new ATOM 2500 N ILE B 65 159.041 -10.018 -0.726 1.00 0.52 N ATOM 2501 CA ILE B 65 160.141 -9.094 -1.134 1.00 0.53 C ATOM 2502 C ILE B 65 161.281 -9.176 -0.117 1.00 0.54 C ATOM 2503 O ILE B 65 162.444 -9.106 -0.463 1.00 0.57 O ATOM 2504 CB ILE B 65 159.546 -7.673 -1.150 1.00 0.56 C ATOM 2505 CG1 ILE B 65 158.035 -7.710 -1.411 1.00 0.55 C ATOM 2506 CG2 ILE B 65 160.213 -6.863 -2.262 1.00 0.60 C ATOM 2507 CD1 ILE B 65 157.527 -6.287 -1.662 1.00 0.64 C ATOM 0 H ILE B 65 158.302 -9.594 -0.165 1.00 0.52 H new ATOM 0 HA ILE B 65 160.540 -9.358 -2.113 1.00 0.53 H new ATOM 0 HB ILE B 65 159.724 -7.216 -0.177 1.00 0.56 H new ATOM 0 HG12 ILE B 65 157.819 -8.342 -2.272 1.00 0.55 H new ATOM 0 HG13 ILE B 65 157.518 -8.147 -0.557 1.00 0.55 H new ATOM 0 HG21 ILE B 65 159.796 -5.856 -2.279 1.00 0.60 H new ATOM 0 HG22 ILE B 65 161.286 -6.809 -2.079 1.00 0.60 H new ATOM 0 HG23 ILE B 65 160.033 -7.346 -3.222 1.00 0.60 H new ATOM 0 HD11 ILE B 65 156.453 -6.311 -1.848 1.00 0.64 H new ATOM 0 HD12 ILE B 65 157.730 -5.669 -0.788 1.00 0.64 H new ATOM 0 HD13 ILE B 65 158.036 -5.867 -2.530 1.00 0.64 H new ATOM 2519 N ASP B 66 160.956 -9.331 1.138 1.00 0.57 N ATOM 2520 CA ASP B 66 162.019 -9.424 2.179 1.00 0.59 C ATOM 2521 C ASP B 66 162.850 -10.691 1.960 1.00 0.58 C ATOM 2522 O ASP B 66 164.064 -10.653 1.942 1.00 0.58 O ATOM 2523 CB ASP B 66 161.268 -9.495 3.509 1.00 0.68 C ATOM 2524 CG ASP B 66 160.899 -8.081 3.962 1.00 0.89 C ATOM 2525 OD1 ASP B 66 160.510 -7.292 3.116 1.00 1.77 O ATOM 2526 OD2 ASP B 66 161.013 -7.810 5.146 1.00 1.32 O ATOM 0 H ASP B 66 160.000 -9.397 1.487 1.00 0.57 H new ATOM 0 HA ASP B 66 162.707 -8.579 2.149 1.00 0.59 H new ATOM 0 HB2 ASP B 66 160.368 -10.100 3.399 1.00 0.68 H new ATOM 0 HB3 ASP B 66 161.887 -9.980 4.263 1.00 0.68 H new ATOM 2531 N ASP B 67 162.204 -11.811 1.785 1.00 0.61 N ATOM 2532 CA ASP B 67 162.959 -13.076 1.558 1.00 0.63 C ATOM 2533 C ASP B 67 163.718 -12.995 0.233 1.00 0.58 C ATOM 2534 O ASP B 67 164.892 -13.296 0.158 1.00 0.66 O ATOM 2535 CB ASP B 67 161.893 -14.172 1.500 1.00 0.71 C ATOM 2536 CG ASP B 67 161.477 -14.557 2.920 1.00 1.20 C ATOM 2537 OD1 ASP B 67 162.358 -14.775 3.736 1.00 1.65 O ATOM 2538 OD2 ASP B 67 160.285 -14.629 3.168 1.00 1.88 O ATOM 0 H ASP B 67 161.188 -11.905 1.789 1.00 0.61 H new ATOM 0 HA ASP B 67 163.694 -13.269 2.340 1.00 0.63 H new ATOM 0 HB2 ASP B 67 161.027 -13.822 0.939 1.00 0.71 H new ATOM 0 HB3 ASP B 67 162.282 -15.044 0.975 1.00 0.71 H new ATOM 2543 N LEU B 68 163.055 -12.583 -0.814 1.00 0.53 N ATOM 2544 CA LEU B 68 163.740 -12.476 -2.134 1.00 0.53 C ATOM 2545 C LEU B 68 164.879 -11.458 -2.051 1.00 0.55 C ATOM 2546 O LEU B 68 165.944 -11.656 -2.603 1.00 0.58 O ATOM 2547 CB LEU B 68 162.660 -11.995 -3.103 1.00 0.52 C ATOM 2548 CG LEU B 68 161.762 -13.169 -3.494 1.00 0.70 C ATOM 2549 CD1 LEU B 68 160.786 -12.724 -4.583 1.00 0.57 C ATOM 2550 CD2 LEU B 68 162.626 -14.317 -4.023 1.00 1.07 C ATOM 0 H LEU B 68 162.070 -12.316 -0.812 1.00 0.53 H new ATOM 0 HA LEU B 68 164.179 -13.422 -2.452 1.00 0.53 H new ATOM 0 HB2 LEU B 68 162.065 -11.208 -2.639 1.00 0.52 H new ATOM 0 HB3 LEU B 68 163.121 -11.564 -3.992 1.00 0.52 H new ATOM 0 HG LEU B 68 161.203 -13.506 -2.621 1.00 0.70 H new ATOM 0 HD11 LEU B 68 160.146 -13.561 -4.862 1.00 0.57 H new ATOM 0 HD12 LEU B 68 160.171 -11.906 -4.208 1.00 0.57 H new ATOM 0 HD13 LEU B 68 161.344 -12.388 -5.457 1.00 0.57 H new ATOM 0 HD21 LEU B 68 161.987 -15.155 -4.302 1.00 1.07 H new ATOM 0 HD22 LEU B 68 163.184 -13.980 -4.896 1.00 1.07 H new ATOM 0 HD23 LEU B 68 163.323 -14.635 -3.248 1.00 1.07 H new ATOM 2562 N LYS B 69 164.664 -10.369 -1.363 1.00 0.57 N ATOM 2563 CA LYS B 69 165.735 -9.340 -1.245 1.00 0.61 C ATOM 2564 C LYS B 69 166.966 -9.940 -0.558 1.00 0.64 C ATOM 2565 O LYS B 69 168.080 -9.790 -1.018 1.00 0.71 O ATOM 2566 CB LYS B 69 165.129 -8.230 -0.386 1.00 0.67 C ATOM 2567 CG LYS B 69 166.215 -7.214 -0.026 1.00 1.43 C ATOM 2568 CD LYS B 69 166.573 -6.389 -1.265 1.00 1.64 C ATOM 2569 CE LYS B 69 165.822 -5.056 -1.226 1.00 2.17 C ATOM 2570 NZ LYS B 69 166.594 -4.208 -0.275 1.00 2.25 N ATOM 0 H LYS B 69 163.794 -10.148 -0.878 1.00 0.57 H new ATOM 0 HA LYS B 69 166.060 -8.968 -2.217 1.00 0.61 H new ATOM 0 HB2 LYS B 69 164.320 -7.738 -0.926 1.00 0.67 H new ATOM 0 HB3 LYS B 69 164.696 -8.652 0.521 1.00 0.67 H new ATOM 0 HG2 LYS B 69 165.865 -6.559 0.772 1.00 1.43 H new ATOM 0 HG3 LYS B 69 167.099 -7.729 0.349 1.00 1.43 H new ATOM 0 HD2 LYS B 69 167.648 -6.212 -1.299 1.00 1.64 H new ATOM 0 HD3 LYS B 69 166.312 -6.939 -2.169 1.00 1.64 H new ATOM 0 HE2 LYS B 69 165.776 -4.599 -2.215 1.00 2.17 H new ATOM 0 HE3 LYS B 69 164.794 -5.191 -0.890 1.00 2.17 H new ATOM 0 HZ1 LYS B 69 165.936 -3.699 0.349 1.00 2.25 H new ATOM 0 HZ2 LYS B 69 167.219 -4.810 0.298 1.00 2.25 H new ATOM 0 HZ3 LYS B 69 167.167 -3.522 -0.807 1.00 2.25 H new ATOM 2584 N ARG B 70 166.773 -10.619 0.539 1.00 0.64 N ATOM 2585 CA ARG B 70 167.932 -11.230 1.252 1.00 0.70 C ATOM 2586 C ARG B 70 168.608 -12.272 0.358 1.00 0.67 C ATOM 2587 O ARG B 70 169.812 -12.438 0.381 1.00 0.71 O ATOM 2588 CB ARG B 70 167.330 -11.896 2.489 1.00 0.78 C ATOM 2589 CG ARG B 70 168.223 -11.625 3.702 1.00 1.17 C ATOM 2590 CD ARG B 70 169.228 -12.768 3.862 1.00 1.29 C ATOM 2591 NE ARG B 70 169.892 -12.514 5.171 1.00 1.57 N ATOM 2592 CZ ARG B 70 169.808 -13.399 6.127 1.00 2.02 C ATOM 2593 NH1 ARG B 70 170.257 -14.609 5.936 1.00 2.36 N ATOM 2594 NH2 ARG B 70 169.277 -13.072 7.273 1.00 2.75 N ATOM 0 H ARG B 70 165.864 -10.778 0.973 1.00 0.64 H new ATOM 0 HA ARG B 70 168.691 -10.494 1.515 1.00 0.70 H new ATOM 0 HB2 ARG B 70 166.326 -11.511 2.670 1.00 0.78 H new ATOM 0 HB3 ARG B 70 167.235 -12.970 2.327 1.00 0.78 H new ATOM 0 HG2 ARG B 70 168.749 -10.679 3.575 1.00 1.17 H new ATOM 0 HG3 ARG B 70 167.614 -11.533 4.602 1.00 1.17 H new ATOM 0 HD2 ARG B 70 168.729 -13.737 3.854 1.00 1.29 H new ATOM 0 HD3 ARG B 70 169.951 -12.775 3.047 1.00 1.29 H new ATOM 0 HE ARG B 70 170.412 -11.649 5.320 1.00 1.57 H new ATOM 0 HH11 ARG B 70 170.673 -14.863 5.040 1.00 2.36 H new ATOM 0 HH12 ARG B 70 170.192 -15.301 6.683 1.00 2.36 H new ATOM 0 HH21 ARG B 70 168.928 -12.125 7.422 1.00 2.75 H new ATOM 0 HH22 ARG B 70 169.211 -13.763 8.020 1.00 2.75 H new ATOM 2608 N GLN B 71 167.842 -12.974 -0.430 1.00 0.65 N ATOM 2609 CA GLN B 71 168.437 -14.005 -1.326 1.00 0.68 C ATOM 2610 C GLN B 71 169.417 -13.353 -2.307 1.00 0.58 C ATOM 2611 O GLN B 71 170.613 -13.388 -2.110 1.00 0.58 O ATOM 2612 CB GLN B 71 167.251 -14.608 -2.071 1.00 0.73 C ATOM 2613 CG GLN B 71 166.909 -15.973 -1.471 1.00 1.13 C ATOM 2614 CD GLN B 71 165.500 -15.931 -0.876 1.00 1.30 C ATOM 2615 OE1 GLN B 71 165.327 -15.607 0.282 1.00 2.00 O ATOM 2616 NE2 GLN B 71 164.479 -16.248 -1.624 1.00 1.72 N ATOM 0 H GLN B 71 166.828 -12.878 -0.492 1.00 0.65 H new ATOM 0 HA GLN B 71 168.999 -14.759 -0.775 1.00 0.68 H new ATOM 0 HB2 GLN B 71 166.390 -13.943 -2.003 1.00 0.73 H new ATOM 0 HB3 GLN B 71 167.489 -14.714 -3.129 1.00 0.73 H new ATOM 0 HG2 GLN B 71 166.968 -16.745 -2.239 1.00 1.13 H new ATOM 0 HG3 GLN B 71 167.633 -16.235 -0.700 1.00 1.13 H new ATOM 0 HE21 GLN B 71 164.624 -16.520 -2.596 1.00 1.72 H new ATOM 0 HE22 GLN B 71 163.536 -16.224 -1.236 1.00 1.72 H new ATOM 2625 N ASN B 72 168.919 -12.756 -3.360 1.00 0.54 N ATOM 2626 CA ASN B 72 169.828 -12.100 -4.349 1.00 0.50 C ATOM 2627 C ASN B 72 170.977 -11.387 -3.623 1.00 0.46 C ATOM 2628 O ASN B 72 172.059 -11.235 -4.154 1.00 0.46 O ATOM 2629 CB ASN B 72 168.946 -11.097 -5.101 1.00 0.52 C ATOM 2630 CG ASN B 72 168.791 -9.815 -4.278 1.00 0.50 C ATOM 2631 OD1 ASN B 72 167.807 -9.713 -3.431 1.00 0.70 O flip ATOM 2632 ND2 ASN B 72 169.577 -8.898 -4.408 1.00 0.67 N flip ATOM 0 H ASN B 72 167.924 -12.694 -3.578 1.00 0.54 H new ATOM 0 HA ASN B 72 170.287 -12.818 -5.029 1.00 0.50 H new ATOM 0 HB2 ASN B 72 169.389 -10.866 -6.070 1.00 0.52 H new ATOM 0 HB3 ASN B 72 167.967 -11.535 -5.295 1.00 0.52 H new ATOM 0 HD21 ASN B 72 170.348 -8.977 -5.071 1.00 0.67 H new ATOM 0 HD22 ASN B 72 169.466 -8.049 -3.854 1.00 0.67 H new ATOM 2639 N ALA B 73 170.754 -10.962 -2.406 1.00 0.50 N ATOM 2640 CA ALA B 73 171.841 -10.279 -1.650 1.00 0.54 C ATOM 2641 C ALA B 73 172.995 -11.259 -1.446 1.00 0.54 C ATOM 2642 O ALA B 73 174.065 -11.098 -1.997 1.00 0.57 O ATOM 2643 CB ALA B 73 171.214 -9.893 -0.309 1.00 0.64 C ATOM 0 H ALA B 73 169.870 -11.059 -1.907 1.00 0.50 H new ATOM 0 HA ALA B 73 172.237 -9.405 -2.168 1.00 0.54 H new ATOM 0 HB1 ALA B 73 171.956 -9.383 0.306 1.00 0.64 H new ATOM 0 HB2 ALA B 73 170.367 -9.229 -0.481 1.00 0.64 H new ATOM 0 HB3 ALA B 73 170.872 -10.791 0.205 1.00 0.64 H new ATOM 2649 N LEU B 74 172.774 -12.287 -0.675 1.00 0.54 N ATOM 2650 CA LEU B 74 173.848 -13.295 -0.457 1.00 0.57 C ATOM 2651 C LEU B 74 174.025 -14.122 -1.733 1.00 0.52 C ATOM 2652 O LEU B 74 175.073 -14.685 -1.984 1.00 0.54 O ATOM 2653 CB LEU B 74 173.348 -14.170 0.695 1.00 0.60 C ATOM 2654 CG LEU B 74 171.989 -14.767 0.330 1.00 0.76 C ATOM 2655 CD1 LEU B 74 172.164 -16.227 -0.084 1.00 1.30 C ATOM 2656 CD2 LEU B 74 171.053 -14.686 1.539 1.00 0.94 C ATOM 0 H LEU B 74 171.898 -12.472 -0.187 1.00 0.54 H new ATOM 0 HA LEU B 74 174.813 -12.845 -0.222 1.00 0.57 H new ATOM 0 HB2 LEU B 74 174.064 -14.966 0.898 1.00 0.60 H new ATOM 0 HB3 LEU B 74 173.264 -13.577 1.606 1.00 0.60 H new ATOM 0 HG LEU B 74 171.559 -14.206 -0.500 1.00 0.76 H new ATOM 0 HD11 LEU B 74 171.194 -16.650 -0.344 1.00 1.30 H new ATOM 0 HD12 LEU B 74 172.827 -16.283 -0.947 1.00 1.30 H new ATOM 0 HD13 LEU B 74 172.596 -16.790 0.743 1.00 1.30 H new ATOM 0 HD21 LEU B 74 170.084 -15.112 1.278 1.00 0.94 H new ATOM 0 HD22 LEU B 74 171.483 -15.245 2.370 1.00 0.94 H new ATOM 0 HD23 LEU B 74 170.925 -13.644 1.831 1.00 0.94 H new ATOM 2668 N LEU B 75 173.004 -14.185 -2.549 1.00 0.48 N ATOM 2669 CA LEU B 75 173.103 -14.959 -3.817 1.00 0.46 C ATOM 2670 C LEU B 75 174.133 -14.301 -4.739 1.00 0.45 C ATOM 2671 O LEU B 75 174.990 -14.955 -5.300 1.00 0.49 O ATOM 2672 CB LEU B 75 171.707 -14.880 -4.437 1.00 0.46 C ATOM 2673 CG LEU B 75 170.932 -16.170 -4.158 1.00 0.50 C ATOM 2674 CD1 LEU B 75 169.467 -15.833 -3.882 1.00 0.52 C ATOM 2675 CD2 LEU B 75 171.010 -17.083 -5.381 1.00 0.50 C ATOM 0 H LEU B 75 172.105 -13.731 -2.389 1.00 0.48 H new ATOM 0 HA LEU B 75 173.418 -15.990 -3.656 1.00 0.46 H new ATOM 0 HB2 LEU B 75 171.167 -14.027 -4.027 1.00 0.46 H new ATOM 0 HB3 LEU B 75 171.787 -14.720 -5.512 1.00 0.46 H new ATOM 0 HG LEU B 75 171.365 -16.673 -3.293 1.00 0.50 H new ATOM 0 HD11 LEU B 75 168.914 -16.751 -3.683 1.00 0.52 H new ATOM 0 HD12 LEU B 75 169.402 -15.175 -3.015 1.00 0.52 H new ATOM 0 HD13 LEU B 75 169.039 -15.332 -4.750 1.00 0.52 H new ATOM 0 HD21 LEU B 75 170.459 -18.002 -5.184 1.00 0.50 H new ATOM 0 HD22 LEU B 75 170.575 -16.576 -6.242 1.00 0.50 H new ATOM 0 HD23 LEU B 75 172.053 -17.323 -5.590 1.00 0.50 H new ATOM 2687 N GLU B 76 174.056 -13.006 -4.893 1.00 0.50 N ATOM 2688 CA GLU B 76 175.031 -12.299 -5.772 1.00 0.54 C ATOM 2689 C GLU B 76 176.415 -12.299 -5.118 1.00 0.57 C ATOM 2690 O GLU B 76 177.428 -12.373 -5.786 1.00 0.59 O ATOM 2691 CB GLU B 76 174.495 -10.872 -5.896 1.00 0.64 C ATOM 2692 CG GLU B 76 174.855 -10.310 -7.273 1.00 0.68 C ATOM 2693 CD GLU B 76 173.959 -9.110 -7.586 1.00 0.73 C ATOM 2694 OE1 GLU B 76 173.631 -8.384 -6.663 1.00 1.30 O ATOM 2695 OE2 GLU B 76 173.616 -8.939 -8.745 1.00 1.35 O ATOM 0 H GLU B 76 173.360 -12.408 -4.448 1.00 0.50 H new ATOM 0 HA GLU B 76 175.135 -12.777 -6.746 1.00 0.54 H new ATOM 0 HB2 GLU B 76 173.414 -10.865 -5.760 1.00 0.64 H new ATOM 0 HB3 GLU B 76 174.919 -10.244 -5.113 1.00 0.64 H new ATOM 0 HG2 GLU B 76 175.903 -10.010 -7.292 1.00 0.68 H new ATOM 0 HG3 GLU B 76 174.730 -11.079 -8.035 1.00 0.68 H new ATOM 2702 N GLN B 77 176.465 -12.224 -3.815 1.00 0.65 N ATOM 2703 CA GLN B 77 177.783 -12.229 -3.120 1.00 0.74 C ATOM 2704 C GLN B 77 178.491 -13.563 -3.366 1.00 0.69 C ATOM 2705 O GLN B 77 179.667 -13.716 -3.095 1.00 0.74 O ATOM 2706 CB GLN B 77 177.453 -12.058 -1.637 1.00 0.86 C ATOM 2707 CG GLN B 77 178.124 -10.789 -1.106 1.00 1.31 C ATOM 2708 CD GLN B 77 177.684 -9.588 -1.947 1.00 1.40 C ATOM 2709 OE1 GLN B 77 178.248 -9.323 -2.990 1.00 2.10 O ATOM 2710 NE2 GLN B 77 176.694 -8.845 -1.533 1.00 1.83 N ATOM 0 H GLN B 77 175.651 -12.160 -3.203 1.00 0.65 H new ATOM 0 HA GLN B 77 178.447 -11.441 -3.477 1.00 0.74 H new ATOM 0 HB2 GLN B 77 176.374 -11.996 -1.499 1.00 0.86 H new ATOM 0 HB3 GLN B 77 177.797 -12.926 -1.075 1.00 0.86 H new ATOM 0 HG2 GLN B 77 177.855 -10.633 -0.061 1.00 1.31 H new ATOM 0 HG3 GLN B 77 179.208 -10.895 -1.144 1.00 1.31 H new ATOM 0 HE21 GLN B 77 176.221 -9.068 -0.657 1.00 1.83 H new ATOM 0 HE22 GLN B 77 176.394 -8.042 -2.085 1.00 1.83 H new ATOM 2719 N GLN B 78 177.787 -14.523 -3.903 1.00 0.61 N ATOM 2720 CA GLN B 78 178.417 -15.840 -4.191 1.00 0.61 C ATOM 2721 C GLN B 78 178.536 -15.986 -5.700 1.00 0.53 C ATOM 2722 O GLN B 78 179.538 -16.429 -6.226 1.00 0.56 O ATOM 2723 CB GLN B 78 177.456 -16.882 -3.618 1.00 0.65 C ATOM 2724 CG GLN B 78 178.033 -18.282 -3.835 1.00 0.73 C ATOM 2725 CD GLN B 78 178.888 -18.674 -2.629 1.00 1.14 C ATOM 2726 OE1 GLN B 78 179.990 -19.162 -2.783 1.00 1.98 O ATOM 2727 NE2 GLN B 78 178.423 -18.480 -1.425 1.00 1.54 N ATOM 0 H GLN B 78 176.801 -14.450 -4.154 1.00 0.61 H new ATOM 0 HA GLN B 78 179.411 -15.950 -3.758 1.00 0.61 H new ATOM 0 HB2 GLN B 78 177.300 -16.702 -2.554 1.00 0.65 H new ATOM 0 HB3 GLN B 78 176.483 -16.799 -4.101 1.00 0.65 H new ATOM 0 HG2 GLN B 78 177.226 -19.002 -3.972 1.00 0.73 H new ATOM 0 HG3 GLN B 78 178.635 -18.302 -4.743 1.00 0.73 H new ATOM 0 HE21 GLN B 78 177.498 -18.070 -1.295 1.00 1.54 H new ATOM 0 HE22 GLN B 78 178.985 -18.738 -0.614 1.00 1.54 H new ATOM 2736 N VAL B 79 177.519 -15.574 -6.397 1.00 0.46 N ATOM 2737 CA VAL B 79 177.547 -15.634 -7.876 1.00 0.48 C ATOM 2738 C VAL B 79 178.717 -14.780 -8.383 1.00 0.50 C ATOM 2739 O VAL B 79 179.140 -14.891 -9.516 1.00 0.59 O ATOM 2740 CB VAL B 79 176.182 -15.062 -8.289 1.00 0.56 C ATOM 2741 CG1 VAL B 79 176.323 -14.132 -9.493 1.00 0.77 C ATOM 2742 CG2 VAL B 79 175.243 -16.214 -8.653 1.00 0.50 C ATOM 0 H VAL B 79 176.661 -15.194 -5.998 1.00 0.46 H new ATOM 0 HA VAL B 79 177.696 -16.632 -8.288 1.00 0.48 H new ATOM 0 HB VAL B 79 175.777 -14.492 -7.453 1.00 0.56 H new ATOM 0 HG11 VAL B 79 175.343 -13.740 -9.766 1.00 0.77 H new ATOM 0 HG12 VAL B 79 176.987 -13.306 -9.239 1.00 0.77 H new ATOM 0 HG13 VAL B 79 176.740 -14.686 -10.334 1.00 0.77 H new ATOM 0 HG21 VAL B 79 174.273 -15.814 -8.947 1.00 0.50 H new ATOM 0 HG22 VAL B 79 175.667 -16.781 -9.481 1.00 0.50 H new ATOM 0 HG23 VAL B 79 175.119 -16.869 -7.790 1.00 0.50 H new