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: B 46 LYS NZ :NH3+ 149:sc= -0.0162! (180deg=-0.738!) USER MOD Set 1.2: B 50 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 71 GLN : amide:sc= -1.12 K(o=-2.3,f=-9.8!) USER MOD Set 2.2: B 72 ASN :FLIP amide:sc= -1.17 F(o=-3,f=-2.3) USER MOD Set 3.1: A 46 LYS NZ :NH3+ -160:sc= 0.0168! (180deg=-0.921!) USER MOD Set 3.2: A 50 TYR OH : rot 180:sc= 0 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= -0.0724 X(o=-0.072,f=-0.19) USER MOD Single : A 25 SER OG : rot 180:sc= -0.393 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.608 X(o=-0.61,f=-0.36) USER MOD Single : A 48 THR OG1 : rot 100:sc= -4.66! USER MOD Single : A 52 GLN : amide:sc= -0.247 K(o=-0.25,f=-2.4!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 MET CE :methyl -153:sc= -2.54 (180deg=-4.21) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.0486 X(o=-0.049,f=-0.38) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.011) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.251 F(o=-1.3,f=-0.25) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -4.73! C(o=-6.3!,f=-4.7!) USER MOD Single : A 77 GLN : amide:sc= -0.668 K(o=-0.67,f=-1.3) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 HIS : no HD1:sc= -0.0699 X(o=-0.07,f=-0.15) USER MOD Single : B 25 SER OG : rot 180:sc= -0.383 USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.535 X(o=-0.53,f=-0.32) USER MOD Single : B 48 THR OG1 : rot 91:sc= -4.07! USER MOD Single : B 52 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.3!) USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 54 MET CE :methyl -155:sc= -2.66 (180deg=-4.1) USER MOD Single : B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=-0.24) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0 USER MOD Single : B 62 GLN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.227 F(o=-1.2,f=-0.23) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 GLN : amide:sc= -0.162 K(o=-0.16,f=-3.8!) USER MOD Single : B 77 GLN : amide:sc= -0.69 K(o=-0.69,f=-1.4) USER MOD Single : B 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 313 N ILE A 19 125.399 2.944 1.567 1.00 1.72 N ATOM 314 CA ILE A 19 126.542 3.535 2.329 1.00 1.09 C ATOM 315 C ILE A 19 126.548 2.948 3.742 1.00 0.98 C ATOM 316 O ILE A 19 127.308 2.045 4.026 1.00 1.27 O ATOM 317 CB ILE A 19 126.282 5.050 2.313 1.00 0.98 C ATOM 318 CG1 ILE A 19 126.359 5.537 0.870 1.00 1.49 C ATOM 319 CG2 ILE A 19 127.351 5.797 3.121 1.00 1.01 C ATOM 320 CD1 ILE A 19 127.805 5.398 0.396 1.00 1.40 C ATOM 0 HA ILE A 19 127.522 3.317 1.904 1.00 1.09 H new ATOM 0 HB ILE A 19 125.302 5.242 2.750 1.00 0.98 H new ATOM 0 HG12 ILE A 19 125.693 4.952 0.235 1.00 1.49 H new ATOM 0 HG13 ILE A 19 126.035 6.575 0.801 1.00 1.49 H new ATOM 0 HG21 ILE A 19 127.145 6.867 3.095 1.00 1.01 H new ATOM 0 HG22 ILE A 19 127.335 5.450 4.154 1.00 1.01 H new ATOM 0 HG23 ILE A 19 128.333 5.606 2.689 1.00 1.01 H new ATOM 0 HD11 ILE A 19 127.884 5.741 -0.636 1.00 1.40 H new ATOM 0 HD12 ILE A 19 128.455 6.001 1.030 1.00 1.40 H new ATOM 0 HD13 ILE A 19 128.108 4.353 0.455 1.00 1.40 H new ATOM 332 N LYS A 20 125.701 3.430 4.614 1.00 1.14 N ATOM 333 CA LYS A 20 125.639 2.867 6.006 1.00 1.56 C ATOM 334 C LYS A 20 125.964 1.367 5.993 1.00 1.34 C ATOM 335 O LYS A 20 126.724 0.879 6.806 1.00 1.27 O ATOM 336 CB LYS A 20 124.197 3.070 6.468 1.00 2.22 C ATOM 337 CG LYS A 20 123.934 4.554 6.737 1.00 2.75 C ATOM 338 CD LYS A 20 122.530 4.724 7.327 1.00 3.61 C ATOM 339 CE LYS A 20 122.441 6.065 8.057 1.00 4.17 C ATOM 340 NZ LYS A 20 121.535 6.898 7.219 1.00 4.71 N ATOM 0 H LYS A 20 125.047 4.190 4.427 1.00 1.14 H new ATOM 0 HA LYS A 20 126.358 3.356 6.664 1.00 1.56 H new ATOM 0 HB2 LYS A 20 123.508 2.703 5.707 1.00 2.22 H new ATOM 0 HB3 LYS A 20 124.012 2.490 7.372 1.00 2.22 H new ATOM 0 HG2 LYS A 20 124.680 4.948 7.427 1.00 2.75 H new ATOM 0 HG3 LYS A 20 124.023 5.124 5.812 1.00 2.75 H new ATOM 0 HD2 LYS A 20 121.783 4.679 6.534 1.00 3.61 H new ATOM 0 HD3 LYS A 20 122.312 3.908 8.016 1.00 3.61 H new ATOM 0 HE2 LYS A 20 122.044 5.941 9.065 1.00 4.17 H new ATOM 0 HE3 LYS A 20 123.423 6.527 8.156 1.00 4.17 H new ATOM 0 HZ1 LYS A 20 121.424 7.836 7.655 1.00 4.71 H new ATOM 0 HZ2 LYS A 20 121.942 7.004 6.268 1.00 4.71 H new ATOM 0 HZ3 LYS A 20 120.606 6.437 7.148 1.00 4.71 H new ATOM 354 N ASP A 21 125.409 0.628 5.065 1.00 1.44 N ATOM 355 CA ASP A 21 125.723 -0.828 5.010 1.00 1.43 C ATOM 356 C ASP A 21 127.228 -0.982 4.825 1.00 1.20 C ATOM 357 O ASP A 21 127.907 -1.589 5.630 1.00 1.26 O ATOM 358 CB ASP A 21 124.968 -1.373 3.795 1.00 1.76 C ATOM 359 CG ASP A 21 124.580 -2.832 4.046 1.00 2.21 C ATOM 360 OD1 ASP A 21 125.458 -3.610 4.381 1.00 2.76 O ATOM 361 OD2 ASP A 21 123.410 -3.147 3.899 1.00 2.74 O ATOM 0 H ASP A 21 124.761 0.966 4.353 1.00 1.44 H new ATOM 0 HA ASP A 21 125.431 -1.363 5.914 1.00 1.43 H new ATOM 0 HB2 ASP A 21 124.076 -0.775 3.610 1.00 1.76 H new ATOM 0 HB3 ASP A 21 125.591 -1.300 2.904 1.00 1.76 H new ATOM 366 N SER A 22 127.762 -0.403 3.783 1.00 1.03 N ATOM 367 CA SER A 22 129.230 -0.482 3.569 1.00 0.91 C ATOM 368 C SER A 22 129.922 0.155 4.772 1.00 0.85 C ATOM 369 O SER A 22 130.931 -0.323 5.250 1.00 0.89 O ATOM 370 CB SER A 22 129.498 0.319 2.297 1.00 0.82 C ATOM 371 OG SER A 22 129.007 -0.403 1.176 1.00 1.64 O ATOM 0 H SER A 22 127.245 0.119 3.075 1.00 1.03 H new ATOM 0 HA SER A 22 129.599 -1.503 3.468 1.00 0.91 H new ATOM 0 HB2 SER A 22 129.013 1.293 2.358 1.00 0.82 H new ATOM 0 HB3 SER A 22 130.567 0.502 2.187 1.00 0.82 H new ATOM 0 HG SER A 22 129.176 0.109 0.358 1.00 1.64 H new ATOM 377 N PHE A 23 129.361 1.222 5.283 1.00 0.85 N ATOM 378 CA PHE A 23 129.962 1.874 6.477 1.00 0.87 C ATOM 379 C PHE A 23 130.194 0.805 7.541 1.00 0.89 C ATOM 380 O PHE A 23 131.312 0.538 7.927 1.00 0.90 O ATOM 381 CB PHE A 23 128.920 2.885 6.965 1.00 0.95 C ATOM 382 CG PHE A 23 129.125 4.257 6.347 1.00 1.01 C ATOM 383 CD1 PHE A 23 130.328 4.608 5.712 1.00 1.61 C ATOM 384 CD2 PHE A 23 128.092 5.205 6.429 1.00 1.67 C ATOM 385 CE1 PHE A 23 130.477 5.879 5.171 1.00 1.84 C ATOM 386 CE2 PHE A 23 128.256 6.472 5.885 1.00 1.93 C ATOM 387 CZ PHE A 23 129.440 6.810 5.255 1.00 1.66 C ATOM 0 H PHE A 23 128.516 1.666 4.924 1.00 0.85 H new ATOM 0 HA PHE A 23 130.912 2.362 6.260 1.00 0.87 H new ATOM 0 HB2 PHE A 23 127.921 2.523 6.721 1.00 0.95 H new ATOM 0 HB3 PHE A 23 128.973 2.965 8.051 1.00 0.95 H new ATOM 0 HD1 PHE A 23 131.134 3.892 5.645 1.00 1.61 H new ATOM 0 HD2 PHE A 23 127.164 4.947 6.918 1.00 1.67 H new ATOM 0 HE1 PHE A 23 131.401 6.149 4.682 1.00 1.84 H new ATOM 0 HE2 PHE A 23 127.457 7.195 5.954 1.00 1.93 H new ATOM 0 HZ PHE A 23 129.562 7.794 4.828 1.00 1.66 H new ATOM 397 N HIS A 24 129.144 0.174 8.006 1.00 0.97 N ATOM 398 CA HIS A 24 129.328 -0.893 9.031 1.00 1.05 C ATOM 399 C HIS A 24 130.504 -1.780 8.619 1.00 0.96 C ATOM 400 O HIS A 24 131.357 -2.112 9.418 1.00 0.98 O ATOM 401 CB HIS A 24 128.025 -1.691 9.033 1.00 1.21 C ATOM 402 CG HIS A 24 127.658 -2.039 10.450 1.00 1.53 C ATOM 403 ND1 HIS A 24 128.607 -2.419 11.387 1.00 1.98 N ATOM 404 CD2 HIS A 24 126.453 -2.065 11.106 1.00 2.05 C ATOM 405 CE1 HIS A 24 127.962 -2.655 12.544 1.00 2.27 C ATOM 406 NE2 HIS A 24 126.647 -2.455 12.428 1.00 2.31 N ATOM 0 H HIS A 24 128.180 0.350 7.723 1.00 0.97 H new ATOM 0 HA HIS A 24 129.543 -0.492 10.022 1.00 1.05 H new ATOM 0 HB2 HIS A 24 127.228 -1.109 8.571 1.00 1.21 H new ATOM 0 HB3 HIS A 24 128.140 -2.599 8.441 1.00 1.21 H new ATOM 0 HD2 HIS A 24 125.499 -1.820 10.664 1.00 2.05 H new ATOM 0 HE1 HIS A 24 128.449 -2.968 13.456 1.00 2.27 H new ATOM 0 HE2 HIS A 24 125.937 -2.564 13.152 1.00 2.31 H new ATOM 414 N SER A 25 130.567 -2.141 7.366 1.00 0.96 N ATOM 415 CA SER A 25 131.702 -2.979 6.892 1.00 0.97 C ATOM 416 C SER A 25 132.978 -2.137 6.903 1.00 0.91 C ATOM 417 O SER A 25 134.063 -2.631 7.140 1.00 0.96 O ATOM 418 CB SER A 25 131.333 -3.382 5.463 1.00 1.11 C ATOM 419 OG SER A 25 132.241 -4.375 5.006 1.00 1.74 O ATOM 0 H SER A 25 129.882 -1.892 6.652 1.00 0.96 H new ATOM 0 HA SER A 25 131.876 -3.854 7.518 1.00 0.97 H new ATOM 0 HB2 SER A 25 130.313 -3.764 5.433 1.00 1.11 H new ATOM 0 HB3 SER A 25 131.367 -2.512 4.807 1.00 1.11 H new ATOM 0 HG SER A 25 132.006 -4.637 4.091 1.00 1.74 H new ATOM 425 N LEU A 26 132.846 -0.859 6.662 1.00 0.89 N ATOM 426 CA LEU A 26 134.038 0.033 6.669 1.00 0.96 C ATOM 427 C LEU A 26 134.444 0.338 8.110 1.00 0.94 C ATOM 428 O LEU A 26 135.587 0.175 8.494 1.00 1.07 O ATOM 429 CB LEU A 26 133.583 1.314 5.965 1.00 1.05 C ATOM 430 CG LEU A 26 133.905 1.221 4.474 1.00 1.30 C ATOM 431 CD1 LEU A 26 132.761 1.835 3.668 1.00 1.74 C ATOM 432 CD2 LEU A 26 135.202 1.978 4.173 1.00 1.37 C ATOM 0 H LEU A 26 131.960 -0.395 6.460 1.00 0.89 H new ATOM 0 HA LEU A 26 134.898 -0.419 6.174 1.00 0.96 H new ATOM 0 HB2 LEU A 26 132.512 1.459 6.108 1.00 1.05 H new ATOM 0 HB3 LEU A 26 134.083 2.178 6.402 1.00 1.05 H new ATOM 0 HG LEU A 26 134.028 0.174 4.198 1.00 1.30 H new ATOM 0 HD11 LEU A 26 132.989 1.769 2.604 1.00 1.74 H new ATOM 0 HD12 LEU A 26 131.838 1.293 3.875 1.00 1.74 H new ATOM 0 HD13 LEU A 26 132.638 2.881 3.949 1.00 1.74 H new ATOM 0 HD21 LEU A 26 135.426 1.908 3.109 1.00 1.37 H new ATOM 0 HD22 LEU A 26 135.085 3.025 4.451 1.00 1.37 H new ATOM 0 HD23 LEU A 26 136.020 1.540 4.745 1.00 1.37 H new ATOM 444 N ARG A 27 133.519 0.787 8.915 1.00 0.86 N ATOM 445 CA ARG A 27 133.860 1.104 10.329 1.00 0.94 C ATOM 446 C ARG A 27 134.570 -0.093 10.950 1.00 0.93 C ATOM 447 O ARG A 27 135.521 0.047 11.693 1.00 1.10 O ATOM 448 CB ARG A 27 132.519 1.364 11.018 1.00 0.98 C ATOM 449 CG ARG A 27 132.695 2.444 12.087 1.00 1.26 C ATOM 450 CD ARG A 27 132.283 1.885 13.451 1.00 1.39 C ATOM 451 NE ARG A 27 130.797 1.801 13.395 1.00 1.64 N ATOM 452 CZ ARG A 27 130.157 1.027 14.227 1.00 1.63 C ATOM 453 NH1 ARG A 27 129.985 -0.235 13.943 1.00 1.82 N ATOM 454 NH2 ARG A 27 129.687 1.516 15.342 1.00 2.26 N ATOM 0 H ARG A 27 132.546 0.947 8.655 1.00 0.86 H new ATOM 0 HA ARG A 27 134.524 1.963 10.424 1.00 0.94 H new ATOM 0 HB2 ARG A 27 131.777 1.680 10.285 1.00 0.98 H new ATOM 0 HB3 ARG A 27 132.147 0.445 11.472 1.00 0.98 H new ATOM 0 HG2 ARG A 27 133.733 2.776 12.117 1.00 1.26 H new ATOM 0 HG3 ARG A 27 132.089 3.316 11.841 1.00 1.26 H new ATOM 0 HD2 ARG A 27 132.728 0.906 13.628 1.00 1.39 H new ATOM 0 HD3 ARG A 27 132.612 2.536 14.261 1.00 1.39 H new ATOM 0 HE ARG A 27 130.280 2.348 12.707 1.00 1.64 H new ATOM 0 HH11 ARG A 27 130.351 -0.616 13.070 1.00 1.82 H new ATOM 0 HH12 ARG A 27 129.485 -0.841 14.594 1.00 1.82 H new ATOM 0 HH21 ARG A 27 129.820 2.503 15.562 1.00 2.26 H new ATOM 0 HH22 ARG A 27 129.186 0.911 15.993 1.00 2.26 H new ATOM 468 N ASP A 28 134.122 -1.274 10.632 1.00 0.89 N ATOM 469 CA ASP A 28 134.772 -2.494 11.179 1.00 0.93 C ATOM 470 C ASP A 28 136.070 -2.768 10.415 1.00 0.90 C ATOM 471 O ASP A 28 136.791 -3.701 10.710 1.00 1.02 O ATOM 472 CB ASP A 28 133.759 -3.614 10.938 1.00 1.02 C ATOM 473 CG ASP A 28 133.953 -4.718 11.979 1.00 1.53 C ATOM 474 OD1 ASP A 28 134.080 -4.388 13.147 1.00 2.29 O ATOM 475 OD2 ASP A 28 133.971 -5.874 11.591 1.00 2.00 O ATOM 0 H ASP A 28 133.330 -1.447 10.014 1.00 0.89 H new ATOM 0 HA ASP A 28 135.031 -2.401 12.234 1.00 0.93 H new ATOM 0 HB2 ASP A 28 132.745 -3.219 10.997 1.00 1.02 H new ATOM 0 HB3 ASP A 28 133.884 -4.021 9.935 1.00 1.02 H new ATOM 480 N SER A 29 136.365 -1.967 9.425 1.00 0.83 N ATOM 481 CA SER A 29 137.604 -2.186 8.633 1.00 0.86 C ATOM 482 C SER A 29 138.807 -1.466 9.257 1.00 0.88 C ATOM 483 O SER A 29 139.894 -2.008 9.298 1.00 0.94 O ATOM 484 CB SER A 29 137.296 -1.613 7.252 1.00 0.90 C ATOM 485 OG SER A 29 137.537 -2.609 6.267 1.00 1.44 O ATOM 0 H SER A 29 135.799 -1.171 9.133 1.00 0.83 H new ATOM 0 HA SER A 29 137.871 -3.242 8.596 1.00 0.86 H new ATOM 0 HB2 SER A 29 136.258 -1.283 7.206 1.00 0.90 H new ATOM 0 HB3 SER A 29 137.918 -0.738 7.061 1.00 0.90 H new ATOM 0 HG SER A 29 137.339 -2.245 5.379 1.00 1.44 H new ATOM 491 N VAL A 30 138.650 -0.255 9.742 1.00 0.87 N ATOM 492 CA VAL A 30 139.828 0.435 10.335 1.00 0.94 C ATOM 493 C VAL A 30 139.582 0.781 11.799 1.00 1.03 C ATOM 494 O VAL A 30 139.422 1.932 12.145 1.00 1.09 O ATOM 495 CB VAL A 30 140.015 1.714 9.521 1.00 0.92 C ATOM 496 CG1 VAL A 30 141.147 2.541 10.142 1.00 1.30 C ATOM 497 CG2 VAL A 30 140.378 1.356 8.078 1.00 0.94 C ATOM 0 H VAL A 30 137.776 0.271 9.751 1.00 0.87 H new ATOM 0 HA VAL A 30 140.711 -0.204 10.304 1.00 0.94 H new ATOM 0 HB VAL A 30 139.090 2.291 9.526 1.00 0.92 H new ATOM 0 HG11 VAL A 30 141.287 3.456 9.567 1.00 1.30 H new ATOM 0 HG12 VAL A 30 140.890 2.795 11.170 1.00 1.30 H new ATOM 0 HG13 VAL A 30 142.070 1.961 10.131 1.00 1.30 H new ATOM 0 HG21 VAL A 30 140.511 2.270 7.499 1.00 0.94 H new ATOM 0 HG22 VAL A 30 141.304 0.782 8.068 1.00 0.94 H new ATOM 0 HG23 VAL A 30 139.577 0.761 7.638 1.00 0.94 H new ATOM 667 N GLN A 42 133.413 7.298 10.173 1.00 1.30 N ATOM 668 CA GLN A 42 134.832 7.724 10.316 1.00 1.16 C ATOM 669 C GLN A 42 135.774 6.946 9.387 1.00 1.10 C ATOM 670 O GLN A 42 136.978 7.186 9.353 1.00 1.37 O ATOM 671 CB GLN A 42 135.131 7.390 11.765 1.00 1.29 C ATOM 672 CG GLN A 42 134.716 5.946 12.050 1.00 2.01 C ATOM 673 CD GLN A 42 135.824 5.250 12.828 1.00 2.19 C ATOM 674 OE1 GLN A 42 136.073 4.077 12.637 1.00 2.84 O ATOM 675 NE2 GLN A 42 136.498 5.930 13.708 1.00 2.21 N ATOM 0 HA GLN A 42 134.979 8.772 10.053 1.00 1.16 H new ATOM 0 HB2 GLN A 42 136.194 7.521 11.968 1.00 1.29 H new ATOM 0 HB3 GLN A 42 134.594 8.071 12.425 1.00 1.29 H new ATOM 0 HG2 GLN A 42 133.788 5.928 12.621 1.00 2.01 H new ATOM 0 HG3 GLN A 42 134.525 5.419 11.115 1.00 2.01 H new ATOM 0 HE21 GLN A 42 136.284 6.915 13.864 1.00 2.21 H new ATOM 0 HE22 GLN A 42 137.240 5.478 14.242 1.00 2.21 H new ATOM 684 N ILE A 43 135.272 6.025 8.620 1.00 0.94 N ATOM 685 CA ILE A 43 136.199 5.280 7.736 1.00 1.02 C ATOM 686 C ILE A 43 136.577 6.172 6.573 1.00 0.95 C ATOM 687 O ILE A 43 137.729 6.426 6.327 1.00 1.01 O ATOM 688 CB ILE A 43 135.433 4.048 7.260 1.00 1.18 C ATOM 689 CG1 ILE A 43 134.543 3.520 8.391 1.00 2.22 C ATOM 690 CG2 ILE A 43 136.434 2.964 6.854 1.00 1.33 C ATOM 691 CD1 ILE A 43 133.077 3.615 7.965 1.00 2.95 C ATOM 0 H ILE A 43 134.288 5.761 8.567 1.00 0.94 H new ATOM 0 HA ILE A 43 137.117 4.982 8.242 1.00 1.02 H new ATOM 0 HB ILE A 43 134.808 4.315 6.408 1.00 1.18 H new ATOM 0 HG12 ILE A 43 134.801 2.486 8.620 1.00 2.22 H new ATOM 0 HG13 ILE A 43 134.708 4.099 9.300 1.00 2.22 H new ATOM 0 HG21 ILE A 43 135.895 2.080 6.513 1.00 1.33 H new ATOM 0 HG22 ILE A 43 137.067 3.337 6.049 1.00 1.33 H new ATOM 0 HG23 ILE A 43 137.054 2.702 7.711 1.00 1.33 H new ATOM 0 HD11 ILE A 43 132.440 3.240 8.766 1.00 2.95 H new ATOM 0 HD12 ILE A 43 132.825 4.655 7.757 1.00 2.95 H new ATOM 0 HD13 ILE A 43 132.920 3.017 7.067 1.00 2.95 H new ATOM 703 N LEU A 44 135.596 6.659 5.882 1.00 0.95 N ATOM 704 CA LEU A 44 135.842 7.567 4.719 1.00 1.07 C ATOM 705 C LEU A 44 137.101 8.392 4.950 1.00 1.01 C ATOM 706 O LEU A 44 137.891 8.595 4.055 1.00 0.96 O ATOM 707 CB LEU A 44 134.590 8.444 4.645 1.00 1.43 C ATOM 708 CG LEU A 44 133.351 7.545 4.759 1.00 0.94 C ATOM 709 CD1 LEU A 44 132.136 8.243 4.170 1.00 1.42 C ATOM 710 CD2 LEU A 44 133.601 6.236 3.996 1.00 1.24 C ATOM 0 H LEU A 44 134.612 6.468 6.071 1.00 0.95 H new ATOM 0 HA LEU A 44 136.007 7.029 3.786 1.00 1.07 H new ATOM 0 HB2 LEU A 44 134.597 9.181 5.448 1.00 1.43 H new ATOM 0 HB3 LEU A 44 134.571 8.996 3.706 1.00 1.43 H new ATOM 0 HG LEU A 44 133.164 7.334 5.812 1.00 0.94 H new ATOM 0 HD11 LEU A 44 131.265 7.593 4.258 1.00 1.42 H new ATOM 0 HD12 LEU A 44 131.952 9.172 4.711 1.00 1.42 H new ATOM 0 HD13 LEU A 44 132.318 8.465 3.119 1.00 1.42 H new ATOM 0 HD21 LEU A 44 132.723 5.595 4.075 1.00 1.24 H new ATOM 0 HD22 LEU A 44 133.795 6.458 2.947 1.00 1.24 H new ATOM 0 HD23 LEU A 44 134.463 5.724 4.424 1.00 1.24 H new ATOM 722 N ASP A 45 137.329 8.825 6.153 1.00 1.09 N ATOM 723 CA ASP A 45 138.577 9.579 6.416 1.00 1.15 C ATOM 724 C ASP A 45 139.748 8.609 6.240 1.00 1.00 C ATOM 725 O ASP A 45 140.614 8.795 5.394 1.00 0.93 O ATOM 726 CB ASP A 45 138.470 10.061 7.864 1.00 1.37 C ATOM 727 CG ASP A 45 139.123 11.440 7.993 1.00 1.59 C ATOM 728 OD1 ASP A 45 139.992 11.739 7.190 1.00 1.77 O ATOM 729 OD2 ASP A 45 138.742 12.174 8.890 1.00 2.29 O ATOM 0 H ASP A 45 136.714 8.692 6.956 1.00 1.09 H new ATOM 0 HA ASP A 45 138.728 10.426 5.747 1.00 1.15 H new ATOM 0 HB2 ASP A 45 137.424 10.113 8.165 1.00 1.37 H new ATOM 0 HB3 ASP A 45 138.959 9.352 8.532 1.00 1.37 H new ATOM 734 N LYS A 46 139.762 7.546 7.007 1.00 1.02 N ATOM 735 CA LYS A 46 140.864 6.547 6.856 1.00 0.96 C ATOM 736 C LYS A 46 140.740 5.824 5.503 1.00 0.84 C ATOM 737 O LYS A 46 141.717 5.563 4.832 1.00 0.89 O ATOM 738 CB LYS A 46 140.675 5.569 8.017 1.00 1.02 C ATOM 739 CG LYS A 46 141.575 5.987 9.185 1.00 1.54 C ATOM 740 CD LYS A 46 143.043 5.887 8.764 1.00 1.67 C ATOM 741 CE LYS A 46 143.828 5.079 9.806 1.00 2.59 C ATOM 742 NZ LYS A 46 145.070 4.639 9.104 1.00 2.66 N ATOM 0 H LYS A 46 139.068 7.329 7.722 1.00 1.02 H new ATOM 0 HA LYS A 46 141.851 7.009 6.876 1.00 0.96 H new ATOM 0 HB2 LYS A 46 139.632 5.559 8.333 1.00 1.02 H new ATOM 0 HB3 LYS A 46 140.921 4.556 7.698 1.00 1.02 H new ATOM 0 HG2 LYS A 46 141.342 7.007 9.489 1.00 1.54 H new ATOM 0 HG3 LYS A 46 141.389 5.347 10.047 1.00 1.54 H new ATOM 0 HD2 LYS A 46 143.119 5.409 7.787 1.00 1.67 H new ATOM 0 HD3 LYS A 46 143.471 6.884 8.665 1.00 1.67 H new ATOM 0 HE2 LYS A 46 144.064 5.687 10.680 1.00 2.59 H new ATOM 0 HE3 LYS A 46 143.251 4.224 10.158 1.00 2.59 H new ATOM 0 HZ1 LYS A 46 145.484 3.828 9.606 1.00 2.66 H new ATOM 0 HZ2 LYS A 46 144.838 4.361 8.129 1.00 2.66 H new ATOM 0 HZ3 LYS A 46 145.755 5.422 9.087 1.00 2.66 H new ATOM 756 N ALA A 47 139.541 5.505 5.098 1.00 0.73 N ATOM 757 CA ALA A 47 139.336 4.807 3.795 1.00 0.69 C ATOM 758 C ALA A 47 140.031 5.571 2.663 1.00 0.70 C ATOM 759 O ALA A 47 140.983 5.095 2.077 1.00 0.70 O ATOM 760 CB ALA A 47 137.813 4.796 3.580 1.00 0.69 C ATOM 0 H ALA A 47 138.686 5.700 5.619 1.00 0.73 H new ATOM 0 HA ALA A 47 139.755 3.801 3.801 1.00 0.69 H new ATOM 0 HB1 ALA A 47 137.582 4.298 2.639 1.00 0.69 H new ATOM 0 HB2 ALA A 47 137.334 4.262 4.400 1.00 0.69 H new ATOM 0 HB3 ALA A 47 137.443 5.821 3.548 1.00 0.69 H new ATOM 766 N THR A 48 139.560 6.747 2.341 1.00 0.83 N ATOM 767 CA THR A 48 140.197 7.520 1.235 1.00 0.92 C ATOM 768 C THR A 48 141.720 7.463 1.345 1.00 0.83 C ATOM 769 O THR A 48 142.398 7.084 0.410 1.00 0.79 O ATOM 770 CB THR A 48 139.710 8.962 1.384 1.00 1.17 C ATOM 771 OG1 THR A 48 138.378 8.969 1.868 1.00 1.76 O ATOM 772 CG2 THR A 48 139.763 9.656 0.020 1.00 1.36 C ATOM 0 H THR A 48 138.767 7.203 2.793 1.00 0.83 H new ATOM 0 HA THR A 48 139.929 7.106 0.263 1.00 0.92 H new ATOM 0 HB THR A 48 140.350 9.491 2.090 1.00 1.17 H new ATOM 0 HG1 THR A 48 138.382 9.139 2.833 1.00 1.76 H new ATOM 0 HG21 THR A 48 139.417 10.685 0.121 1.00 1.36 H new ATOM 0 HG22 THR A 48 140.788 9.653 -0.350 1.00 1.36 H new ATOM 0 HG23 THR A 48 139.122 9.125 -0.684 1.00 1.36 H new ATOM 780 N GLU A 49 142.279 7.844 2.466 1.00 0.88 N ATOM 781 CA GLU A 49 143.766 7.802 2.571 1.00 0.90 C ATOM 782 C GLU A 49 144.274 6.386 2.276 1.00 0.77 C ATOM 783 O GLU A 49 145.293 6.206 1.642 1.00 0.83 O ATOM 784 CB GLU A 49 144.102 8.268 4.002 1.00 1.04 C ATOM 785 CG GLU A 49 144.159 7.092 4.989 1.00 1.34 C ATOM 786 CD GLU A 49 145.110 7.444 6.135 1.00 1.68 C ATOM 787 OE1 GLU A 49 145.991 8.260 5.918 1.00 2.01 O ATOM 788 OE2 GLU A 49 144.943 6.890 7.208 1.00 2.26 O ATOM 0 H GLU A 49 141.783 8.175 3.294 1.00 0.88 H new ATOM 0 HA GLU A 49 144.255 8.450 1.844 1.00 0.90 H new ATOM 0 HB2 GLU A 49 145.061 8.786 3.999 1.00 1.04 H new ATOM 0 HB3 GLU A 49 143.353 8.986 4.335 1.00 1.04 H new ATOM 0 HG2 GLU A 49 143.163 6.880 5.379 1.00 1.34 H new ATOM 0 HG3 GLU A 49 144.501 6.191 4.480 1.00 1.34 H new ATOM 795 N TYR A 50 143.572 5.380 2.726 1.00 0.67 N ATOM 796 CA TYR A 50 144.017 3.980 2.468 1.00 0.64 C ATOM 797 C TYR A 50 143.933 3.645 0.974 1.00 0.62 C ATOM 798 O TYR A 50 144.861 3.118 0.395 1.00 0.64 O ATOM 799 CB TYR A 50 143.045 3.111 3.263 1.00 0.65 C ATOM 800 CG TYR A 50 143.730 2.613 4.510 1.00 0.93 C ATOM 801 CD1 TYR A 50 144.634 1.549 4.433 1.00 1.72 C ATOM 802 CD2 TYR A 50 143.465 3.220 5.743 1.00 1.38 C ATOM 803 CE1 TYR A 50 145.273 1.091 5.589 1.00 2.07 C ATOM 804 CE2 TYR A 50 144.103 2.762 6.899 1.00 1.72 C ATOM 805 CZ TYR A 50 145.009 1.697 6.823 1.00 1.79 C ATOM 806 OH TYR A 50 145.641 1.244 7.963 1.00 2.26 O ATOM 0 H TYR A 50 142.709 5.468 3.262 1.00 0.67 H new ATOM 0 HA TYR A 50 145.054 3.822 2.762 1.00 0.64 H new ATOM 0 HB2 TYR A 50 142.157 3.686 3.526 1.00 0.65 H new ATOM 0 HB3 TYR A 50 142.712 2.269 2.656 1.00 0.65 H new ATOM 0 HD1 TYR A 50 144.838 1.081 3.481 1.00 1.72 H new ATOM 0 HD2 TYR A 50 142.767 4.042 5.801 1.00 1.38 H new ATOM 0 HE1 TYR A 50 145.971 0.269 5.530 1.00 2.07 H new ATOM 0 HE2 TYR A 50 143.897 3.229 7.851 1.00 1.72 H new ATOM 0 HH TYR A 50 145.346 1.774 8.733 1.00 2.26 H new ATOM 816 N ILE A 51 142.826 3.935 0.347 1.00 0.65 N ATOM 817 CA ILE A 51 142.690 3.616 -1.106 1.00 0.67 C ATOM 818 C ILE A 51 143.887 4.160 -1.892 1.00 0.66 C ATOM 819 O ILE A 51 144.328 3.565 -2.854 1.00 0.65 O ATOM 820 CB ILE A 51 141.395 4.300 -1.549 1.00 0.76 C ATOM 821 CG1 ILE A 51 140.232 3.793 -0.691 1.00 0.88 C ATOM 822 CG2 ILE A 51 141.124 3.973 -3.020 1.00 0.82 C ATOM 823 CD1 ILE A 51 138.906 4.211 -1.328 1.00 0.73 C ATOM 0 H ILE A 51 142.012 4.377 0.774 1.00 0.65 H new ATOM 0 HA ILE A 51 142.662 2.541 -1.286 1.00 0.67 H new ATOM 0 HB ILE A 51 141.493 5.379 -1.428 1.00 0.76 H new ATOM 0 HG12 ILE A 51 140.278 2.708 -0.602 1.00 0.88 H new ATOM 0 HG13 ILE A 51 140.307 4.199 0.318 1.00 0.88 H new ATOM 0 HG21 ILE A 51 140.202 4.460 -3.337 1.00 0.82 H new ATOM 0 HG22 ILE A 51 141.952 4.332 -3.631 1.00 0.82 H new ATOM 0 HG23 ILE A 51 141.025 2.894 -3.141 1.00 0.82 H new ATOM 0 HD11 ILE A 51 138.079 3.850 -0.717 1.00 0.73 H new ATOM 0 HD12 ILE A 51 138.861 5.298 -1.394 1.00 0.73 H new ATOM 0 HD13 ILE A 51 138.832 3.783 -2.328 1.00 0.73 H new ATOM 835 N GLN A 52 144.419 5.284 -1.494 1.00 0.77 N ATOM 836 CA GLN A 52 145.587 5.854 -2.229 1.00 0.82 C ATOM 837 C GLN A 52 146.897 5.312 -1.649 1.00 0.73 C ATOM 838 O GLN A 52 147.632 4.604 -2.308 1.00 0.71 O ATOM 839 CB GLN A 52 145.489 7.365 -2.016 1.00 1.02 C ATOM 840 CG GLN A 52 144.601 7.978 -3.101 1.00 1.19 C ATOM 841 CD GLN A 52 145.406 8.139 -4.392 1.00 1.68 C ATOM 842 OE1 GLN A 52 146.620 8.117 -4.370 1.00 2.44 O ATOM 843 NE2 GLN A 52 144.777 8.302 -5.524 1.00 2.11 N ATOM 0 H GLN A 52 144.098 5.831 -0.695 1.00 0.77 H new ATOM 0 HA GLN A 52 145.578 5.590 -3.286 1.00 0.82 H new ATOM 0 HB2 GLN A 52 145.076 7.578 -1.030 1.00 1.02 H new ATOM 0 HB3 GLN A 52 146.482 7.813 -2.049 1.00 1.02 H new ATOM 0 HG2 GLN A 52 143.734 7.342 -3.278 1.00 1.19 H new ATOM 0 HG3 GLN A 52 144.224 8.946 -2.772 1.00 1.19 H new ATOM 0 HE21 GLN A 52 143.757 8.320 -5.543 1.00 2.11 H new ATOM 0 HE22 GLN A 52 145.305 8.411 -6.390 1.00 2.11 H new ATOM 852 N TYR A 53 147.194 5.640 -0.420 1.00 0.75 N ATOM 853 CA TYR A 53 148.455 5.147 0.209 1.00 0.76 C ATOM 854 C TYR A 53 148.697 3.678 -0.169 1.00 0.68 C ATOM 855 O TYR A 53 149.821 3.245 -0.324 1.00 0.79 O ATOM 856 CB TYR A 53 148.223 5.319 1.722 1.00 0.87 C ATOM 857 CG TYR A 53 148.831 4.170 2.499 1.00 0.96 C ATOM 858 CD1 TYR A 53 150.210 3.939 2.448 1.00 1.50 C ATOM 859 CD2 TYR A 53 148.009 3.339 3.271 1.00 1.62 C ATOM 860 CE1 TYR A 53 150.768 2.875 3.167 1.00 1.56 C ATOM 861 CE2 TYR A 53 148.567 2.276 3.990 1.00 1.73 C ATOM 862 CZ TYR A 53 149.946 2.044 3.939 1.00 1.22 C ATOM 863 OH TYR A 53 150.497 0.996 4.648 1.00 1.38 O ATOM 0 H TYR A 53 146.616 6.230 0.178 1.00 0.75 H new ATOM 0 HA TYR A 53 149.340 5.690 -0.123 1.00 0.76 H new ATOM 0 HB2 TYR A 53 148.660 6.260 2.056 1.00 0.87 H new ATOM 0 HB3 TYR A 53 147.154 5.375 1.925 1.00 0.87 H new ATOM 0 HD1 TYR A 53 150.844 4.581 1.854 1.00 1.50 H new ATOM 0 HD2 TYR A 53 146.945 3.519 3.311 1.00 1.62 H new ATOM 0 HE1 TYR A 53 151.832 2.695 3.126 1.00 1.56 H new ATOM 0 HE2 TYR A 53 147.933 1.635 4.584 1.00 1.73 H new ATOM 0 HH TYR A 53 149.790 0.520 5.131 1.00 1.38 H new ATOM 873 N MET A 54 147.652 2.909 -0.314 1.00 0.59 N ATOM 874 CA MET A 54 147.832 1.474 -0.676 1.00 0.60 C ATOM 875 C MET A 54 148.050 1.326 -2.185 1.00 0.56 C ATOM 876 O MET A 54 149.008 0.722 -2.625 1.00 0.57 O ATOM 877 CB MET A 54 146.533 0.791 -0.247 1.00 0.68 C ATOM 878 CG MET A 54 146.515 0.643 1.276 1.00 0.77 C ATOM 879 SD MET A 54 147.017 -1.036 1.730 1.00 1.40 S ATOM 880 CE MET A 54 146.795 -0.864 3.518 1.00 0.80 C ATOM 0 H MET A 54 146.685 3.211 -0.198 1.00 0.59 H new ATOM 0 HA MET A 54 148.703 1.033 -0.190 1.00 0.60 H new ATOM 0 HB2 MET A 54 145.675 1.377 -0.577 1.00 0.68 H new ATOM 0 HB3 MET A 54 146.451 -0.188 -0.719 1.00 0.68 H new ATOM 0 HG2 MET A 54 147.189 1.370 1.730 1.00 0.77 H new ATOM 0 HG3 MET A 54 145.516 0.851 1.660 1.00 0.77 H new ATOM 0 HE1 MET A 54 147.463 -1.553 4.035 1.00 0.80 H new ATOM 0 HE2 MET A 54 147.026 0.158 3.817 1.00 0.80 H new ATOM 0 HE3 MET A 54 145.762 -1.094 3.780 1.00 0.80 H new ATOM 890 N ARG A 55 147.173 1.872 -2.983 1.00 0.56 N ATOM 891 CA ARG A 55 147.341 1.756 -4.461 1.00 0.56 C ATOM 892 C ARG A 55 148.767 2.141 -4.862 1.00 0.58 C ATOM 893 O ARG A 55 149.408 1.461 -5.638 1.00 0.58 O ATOM 894 CB ARG A 55 146.333 2.739 -5.057 1.00 0.60 C ATOM 895 CG ARG A 55 145.950 2.284 -6.467 1.00 1.27 C ATOM 896 CD ARG A 55 146.974 2.816 -7.473 1.00 1.63 C ATOM 897 NE ARG A 55 146.253 3.882 -8.224 1.00 1.73 N ATOM 898 CZ ARG A 55 146.504 5.139 -7.980 1.00 2.04 C ATOM 899 NH1 ARG A 55 145.953 5.728 -6.953 1.00 2.60 N ATOM 900 NH2 ARG A 55 147.306 5.809 -8.762 1.00 2.56 N ATOM 0 H ARG A 55 146.350 2.392 -2.678 1.00 0.56 H new ATOM 0 HA ARG A 55 147.174 0.739 -4.815 1.00 0.56 H new ATOM 0 HB2 ARG A 55 145.445 2.793 -4.427 1.00 0.60 H new ATOM 0 HB3 ARG A 55 146.762 3.741 -5.090 1.00 0.60 H new ATOM 0 HG2 ARG A 55 145.913 1.196 -6.511 1.00 1.27 H new ATOM 0 HG3 ARG A 55 144.954 2.648 -6.720 1.00 1.27 H new ATOM 0 HD2 ARG A 55 147.854 3.214 -6.968 1.00 1.63 H new ATOM 0 HD3 ARG A 55 147.319 2.027 -8.141 1.00 1.63 H new ATOM 0 HE ARG A 55 145.562 3.629 -8.930 1.00 1.73 H new ATOM 0 HH11 ARG A 55 145.326 5.205 -6.341 1.00 2.60 H new ATOM 0 HH12 ARG A 55 146.150 6.711 -6.763 1.00 2.60 H new ATOM 0 HH21 ARG A 55 147.737 5.350 -9.564 1.00 2.56 H new ATOM 0 HH22 ARG A 55 147.502 6.792 -8.571 1.00 2.56 H new ATOM 914 N ARG A 56 149.269 3.225 -4.337 1.00 0.66 N ATOM 915 CA ARG A 56 150.654 3.651 -4.687 1.00 0.71 C ATOM 916 C ARG A 56 151.673 2.682 -4.082 1.00 0.68 C ATOM 917 O ARG A 56 152.648 2.319 -4.709 1.00 0.67 O ATOM 918 CB ARG A 56 150.807 5.044 -4.074 1.00 0.83 C ATOM 919 CG ARG A 56 152.219 5.568 -4.343 1.00 1.14 C ATOM 920 CD ARG A 56 152.462 6.831 -3.514 1.00 1.31 C ATOM 921 NE ARG A 56 153.322 6.387 -2.382 1.00 1.33 N ATOM 922 CZ ARG A 56 153.801 7.264 -1.543 1.00 1.82 C ATOM 923 NH1 ARG A 56 154.274 8.398 -1.983 1.00 2.46 N ATOM 924 NH2 ARG A 56 153.806 7.008 -0.263 1.00 2.36 N ATOM 0 H ARG A 56 148.780 3.834 -3.681 1.00 0.66 H new ATOM 0 HA ARG A 56 150.825 3.659 -5.764 1.00 0.71 H new ATOM 0 HB2 ARG A 56 150.068 5.723 -4.500 1.00 0.83 H new ATOM 0 HB3 ARG A 56 150.621 5.003 -3.001 1.00 0.83 H new ATOM 0 HG2 ARG A 56 152.956 4.806 -4.088 1.00 1.14 H new ATOM 0 HG3 ARG A 56 152.341 5.787 -5.404 1.00 1.14 H new ATOM 0 HD2 ARG A 56 152.955 7.603 -4.105 1.00 1.31 H new ATOM 0 HD3 ARG A 56 151.524 7.254 -3.155 1.00 1.31 H new ATOM 0 HE ARG A 56 153.537 5.397 -2.263 1.00 1.33 H new ATOM 0 HH11 ARG A 56 154.269 8.599 -2.983 1.00 2.46 H new ATOM 0 HH12 ARG A 56 154.648 9.083 -1.327 1.00 2.46 H new ATOM 0 HH21 ARG A 56 153.435 6.122 0.081 1.00 2.36 H new ATOM 0 HH22 ARG A 56 154.180 7.694 0.393 1.00 2.36 H new ATOM 938 N LYS A 57 151.454 2.259 -2.867 1.00 0.72 N ATOM 939 CA LYS A 57 152.408 1.312 -2.224 1.00 0.75 C ATOM 940 C LYS A 57 152.467 0.005 -3.019 1.00 0.71 C ATOM 941 O LYS A 57 153.517 -0.420 -3.457 1.00 0.71 O ATOM 942 CB LYS A 57 151.841 1.065 -0.826 1.00 0.83 C ATOM 943 CG LYS A 57 152.657 1.851 0.202 1.00 1.10 C ATOM 944 CD LYS A 57 153.124 0.909 1.314 1.00 1.27 C ATOM 945 CE LYS A 57 154.650 0.795 1.283 1.00 1.77 C ATOM 946 NZ LYS A 57 155.122 1.673 2.390 1.00 2.36 N ATOM 0 H LYS A 57 150.656 2.528 -2.292 1.00 0.72 H new ATOM 0 HA LYS A 57 153.423 1.708 -2.186 1.00 0.75 H new ATOM 0 HB2 LYS A 57 150.796 1.371 -0.787 1.00 0.83 H new ATOM 0 HB3 LYS A 57 151.871 0.001 -0.593 1.00 0.83 H new ATOM 0 HG2 LYS A 57 153.517 2.316 -0.280 1.00 1.10 H new ATOM 0 HG3 LYS A 57 152.054 2.656 0.622 1.00 1.10 H new ATOM 0 HD2 LYS A 57 152.797 1.284 2.284 1.00 1.27 H new ATOM 0 HD3 LYS A 57 152.673 -0.075 1.184 1.00 1.27 H new ATOM 0 HE2 LYS A 57 154.972 -0.236 1.431 1.00 1.77 H new ATOM 0 HE3 LYS A 57 155.051 1.119 0.323 1.00 1.77 H new ATOM 0 HZ1 LYS A 57 156.161 1.648 2.434 1.00 2.36 H new ATOM 0 HZ2 LYS A 57 154.806 2.649 2.218 1.00 2.36 H new ATOM 0 HZ3 LYS A 57 154.729 1.336 3.292 1.00 2.36 H new ATOM 960 N VAL A 58 151.345 -0.635 -3.209 1.00 0.72 N ATOM 961 CA VAL A 58 151.335 -1.912 -3.978 1.00 0.73 C ATOM 962 C VAL A 58 151.988 -1.708 -5.347 1.00 0.68 C ATOM 963 O VAL A 58 152.611 -2.599 -5.888 1.00 0.68 O ATOM 964 CB VAL A 58 149.857 -2.269 -4.136 1.00 0.79 C ATOM 965 CG1 VAL A 58 149.729 -3.598 -4.881 1.00 1.40 C ATOM 966 CG2 VAL A 58 149.212 -2.398 -2.754 1.00 1.36 C ATOM 0 H VAL A 58 150.435 -0.329 -2.865 1.00 0.72 H new ATOM 0 HA VAL A 58 151.892 -2.702 -3.475 1.00 0.73 H new ATOM 0 HB VAL A 58 149.354 -1.485 -4.701 1.00 0.79 H new ATOM 0 HG11 VAL A 58 148.675 -3.852 -4.993 1.00 1.40 H new ATOM 0 HG12 VAL A 58 150.188 -3.509 -5.866 1.00 1.40 H new ATOM 0 HG13 VAL A 58 150.233 -4.382 -4.316 1.00 1.40 H new ATOM 0 HG21 VAL A 58 148.158 -2.653 -2.867 1.00 1.36 H new ATOM 0 HG22 VAL A 58 149.716 -3.182 -2.189 1.00 1.36 H new ATOM 0 HG23 VAL A 58 149.302 -1.452 -2.221 1.00 1.36 H new ATOM 976 N HIS A 59 151.852 -0.538 -5.911 1.00 0.69 N ATOM 977 CA HIS A 59 152.469 -0.278 -7.243 1.00 0.67 C ATOM 978 C HIS A 59 153.992 -0.387 -7.145 1.00 0.61 C ATOM 979 O HIS A 59 154.596 -1.286 -7.696 1.00 0.61 O ATOM 980 CB HIS A 59 152.054 1.150 -7.599 1.00 0.71 C ATOM 981 CG HIS A 59 152.616 1.514 -8.946 1.00 1.06 C ATOM 982 ND1 HIS A 59 152.803 0.575 -9.949 1.00 1.76 N ATOM 983 CD2 HIS A 59 153.035 2.712 -9.471 1.00 1.80 C ATOM 984 CE1 HIS A 59 153.315 1.217 -11.015 1.00 2.09 C ATOM 985 NE2 HIS A 59 153.476 2.522 -10.777 1.00 2.12 N ATOM 0 H HIS A 59 151.341 0.247 -5.508 1.00 0.69 H new ATOM 0 HA HIS A 59 152.146 -0.995 -7.998 1.00 0.67 H new ATOM 0 HB2 HIS A 59 150.967 1.232 -7.612 1.00 0.71 H new ATOM 0 HB3 HIS A 59 152.417 1.845 -6.842 1.00 0.71 H new ATOM 0 HD2 HIS A 59 153.024 3.658 -8.949 1.00 1.80 H new ATOM 0 HE1 HIS A 59 153.565 0.736 -11.949 1.00 2.09 H new ATOM 0 HE2 HIS A 59 153.843 3.227 -11.416 1.00 2.12 H new ATOM 993 N THR A 60 154.618 0.519 -6.445 1.00 0.59 N ATOM 994 CA THR A 60 156.101 0.462 -6.310 1.00 0.56 C ATOM 995 C THR A 60 156.512 -0.820 -5.581 1.00 0.52 C ATOM 996 O THR A 60 157.599 -1.331 -5.768 1.00 0.51 O ATOM 997 CB THR A 60 156.475 1.693 -5.483 1.00 0.59 C ATOM 998 OG1 THR A 60 156.002 2.861 -6.139 1.00 1.35 O ATOM 999 CG2 THR A 60 157.995 1.767 -5.334 1.00 1.29 C ATOM 0 H THR A 60 154.167 1.296 -5.961 1.00 0.59 H new ATOM 0 HA THR A 60 156.604 0.456 -7.277 1.00 0.56 H new ATOM 0 HB THR A 60 156.020 1.621 -4.495 1.00 0.59 H new ATOM 0 HG1 THR A 60 156.239 3.652 -5.610 1.00 1.35 H new ATOM 0 HG21 THR A 60 158.261 2.645 -4.745 1.00 1.29 H new ATOM 0 HG22 THR A 60 158.355 0.870 -4.831 1.00 1.29 H new ATOM 0 HG23 THR A 60 158.454 1.840 -6.320 1.00 1.29 H new ATOM 1007 N LEU A 61 155.649 -1.344 -4.755 1.00 0.55 N ATOM 1008 CA LEU A 61 155.989 -2.594 -4.018 1.00 0.54 C ATOM 1009 C LEU A 61 156.044 -3.774 -4.990 1.00 0.53 C ATOM 1010 O LEU A 61 157.104 -4.278 -5.305 1.00 0.51 O ATOM 1011 CB LEU A 61 154.856 -2.784 -3.010 1.00 0.63 C ATOM 1012 CG LEU A 61 155.127 -1.928 -1.771 1.00 0.67 C ATOM 1013 CD1 LEU A 61 153.939 -2.023 -0.813 1.00 0.76 C ATOM 1014 CD2 LEU A 61 156.389 -2.434 -1.067 1.00 0.80 C ATOM 0 H LEU A 61 154.724 -0.961 -4.559 1.00 0.55 H new ATOM 0 HA LEU A 61 156.961 -2.535 -3.528 1.00 0.54 H new ATOM 0 HB2 LEU A 61 153.904 -2.501 -3.459 1.00 0.63 H new ATOM 0 HB3 LEU A 61 154.777 -3.834 -2.729 1.00 0.63 H new ATOM 0 HG LEU A 61 155.269 -0.890 -2.073 1.00 0.67 H new ATOM 0 HD11 LEU A 61 154.133 -1.413 0.069 1.00 0.76 H new ATOM 0 HD12 LEU A 61 153.039 -1.663 -1.312 1.00 0.76 H new ATOM 0 HD13 LEU A 61 153.796 -3.061 -0.512 1.00 0.76 H new ATOM 0 HD21 LEU A 61 156.582 -1.824 -0.184 1.00 0.80 H new ATOM 0 HD22 LEU A 61 156.247 -3.472 -0.767 1.00 0.80 H new ATOM 0 HD23 LEU A 61 157.237 -2.366 -1.748 1.00 0.80 H new ATOM 1026 N GLN A 62 154.909 -4.213 -5.468 1.00 0.57 N ATOM 1027 CA GLN A 62 154.889 -5.359 -6.423 1.00 0.61 C ATOM 1028 C GLN A 62 156.043 -5.234 -7.419 1.00 0.59 C ATOM 1029 O GLN A 62 156.803 -6.160 -7.623 1.00 0.64 O ATOM 1030 CB GLN A 62 153.544 -5.252 -7.145 1.00 0.68 C ATOM 1031 CG GLN A 62 153.397 -6.417 -8.126 1.00 0.76 C ATOM 1032 CD GLN A 62 152.029 -7.075 -7.936 1.00 1.04 C ATOM 1033 OE1 GLN A 62 151.929 -8.284 -7.859 1.00 1.85 O ATOM 1034 NE2 GLN A 62 150.963 -6.327 -7.855 1.00 1.12 N ATOM 0 H GLN A 62 153.994 -3.826 -5.237 1.00 0.57 H new ATOM 0 HA GLN A 62 155.005 -6.319 -5.919 1.00 0.61 H new ATOM 0 HB2 GLN A 62 152.729 -5.267 -6.422 1.00 0.68 H new ATOM 0 HB3 GLN A 62 153.480 -4.303 -7.678 1.00 0.68 H new ATOM 0 HG2 GLN A 62 153.501 -6.059 -9.150 1.00 0.76 H new ATOM 0 HG3 GLN A 62 154.189 -7.147 -7.961 1.00 0.76 H new ATOM 0 HE21 GLN A 62 151.046 -5.312 -7.919 1.00 1.12 H new ATOM 0 HE22 GLN A 62 150.047 -6.757 -7.727 1.00 1.12 H new ATOM 1043 N GLN A 63 156.184 -4.094 -8.036 1.00 0.56 N ATOM 1044 CA GLN A 63 157.295 -3.909 -9.010 1.00 0.59 C ATOM 1045 C GLN A 63 158.622 -4.319 -8.366 1.00 0.56 C ATOM 1046 O GLN A 63 159.515 -4.818 -9.022 1.00 0.56 O ATOM 1047 CB GLN A 63 157.294 -2.415 -9.336 1.00 0.61 C ATOM 1048 CG GLN A 63 157.069 -2.219 -10.837 1.00 0.95 C ATOM 1049 CD GLN A 63 155.790 -2.942 -11.262 1.00 1.41 C ATOM 1050 OE1 GLN A 63 154.793 -3.026 -10.425 1.00 1.75 O flip ATOM 1051 NE2 GLN A 63 155.698 -3.438 -12.368 1.00 1.72 N flip ATOM 0 H GLN A 63 155.578 -3.283 -7.908 1.00 0.56 H new ATOM 0 HA GLN A 63 157.170 -4.517 -9.906 1.00 0.59 H new ATOM 0 HB2 GLN A 63 156.511 -1.909 -8.771 1.00 0.61 H new ATOM 0 HB3 GLN A 63 158.242 -1.967 -9.038 1.00 0.61 H new ATOM 0 HG2 GLN A 63 156.992 -1.157 -11.068 1.00 0.95 H new ATOM 0 HG3 GLN A 63 157.921 -2.606 -11.396 1.00 0.95 H new ATOM 0 HE21 GLN A 63 156.477 -3.372 -13.023 1.00 1.72 H new ATOM 0 HE22 GLN A 63 154.841 -3.920 -12.641 1.00 1.72 H new ATOM 1060 N ASP A 64 158.754 -4.118 -7.082 1.00 0.55 N ATOM 1061 CA ASP A 64 160.018 -4.501 -6.394 1.00 0.54 C ATOM 1062 C ASP A 64 159.996 -5.992 -6.053 1.00 0.50 C ATOM 1063 O ASP A 64 161.023 -6.610 -5.862 1.00 0.51 O ATOM 1064 CB ASP A 64 160.050 -3.656 -5.120 1.00 0.53 C ATOM 1065 CG ASP A 64 160.669 -2.291 -5.428 1.00 0.79 C ATOM 1066 OD1 ASP A 64 160.333 -1.730 -6.458 1.00 1.21 O ATOM 1067 OD2 ASP A 64 161.466 -1.830 -4.629 1.00 1.43 O ATOM 0 H ASP A 64 158.041 -3.705 -6.481 1.00 0.55 H new ATOM 0 HA ASP A 64 160.898 -4.329 -7.014 1.00 0.54 H new ATOM 0 HB2 ASP A 64 159.040 -3.529 -4.729 1.00 0.53 H new ATOM 0 HB3 ASP A 64 160.629 -4.164 -4.349 1.00 0.53 H new ATOM 1072 N ILE A 65 158.831 -6.577 -5.988 1.00 0.49 N ATOM 1073 CA ILE A 65 158.748 -8.032 -5.672 1.00 0.50 C ATOM 1074 C ILE A 65 159.132 -8.837 -6.912 1.00 0.54 C ATOM 1075 O ILE A 65 159.806 -9.845 -6.830 1.00 0.53 O ATOM 1076 CB ILE A 65 157.289 -8.302 -5.284 1.00 0.52 C ATOM 1077 CG1 ILE A 65 156.744 -7.138 -4.452 1.00 0.51 C ATOM 1078 CG2 ILE A 65 157.221 -9.586 -4.455 1.00 0.56 C ATOM 1079 CD1 ILE A 65 155.414 -7.542 -3.805 1.00 0.53 C ATOM 0 H ILE A 65 157.936 -6.112 -6.139 1.00 0.49 H new ATOM 0 HA ILE A 65 159.423 -8.317 -4.865 1.00 0.50 H new ATOM 0 HB ILE A 65 156.690 -8.407 -6.189 1.00 0.52 H new ATOM 0 HG12 ILE A 65 157.464 -6.860 -3.682 1.00 0.51 H new ATOM 0 HG13 ILE A 65 156.600 -6.262 -5.085 1.00 0.51 H new ATOM 0 HG21 ILE A 65 156.186 -9.784 -4.175 1.00 0.56 H new ATOM 0 HG22 ILE A 65 157.604 -10.420 -5.043 1.00 0.56 H new ATOM 0 HG23 ILE A 65 157.824 -9.470 -3.555 1.00 0.56 H new ATOM 0 HD11 ILE A 65 155.030 -6.711 -3.214 1.00 0.53 H new ATOM 0 HD12 ILE A 65 154.694 -7.798 -4.582 1.00 0.53 H new ATOM 0 HD13 ILE A 65 155.571 -8.405 -3.158 1.00 0.53 H new ATOM 1091 N ASP A 66 158.718 -8.388 -8.066 1.00 0.60 N ATOM 1092 CA ASP A 66 159.071 -9.114 -9.316 1.00 0.67 C ATOM 1093 C ASP A 66 160.560 -8.925 -9.606 1.00 0.62 C ATOM 1094 O ASP A 66 161.258 -9.855 -9.961 1.00 0.61 O ATOM 1095 CB ASP A 66 158.221 -8.465 -10.409 1.00 0.76 C ATOM 1096 CG ASP A 66 157.253 -9.501 -10.983 1.00 1.20 C ATOM 1097 OD1 ASP A 66 156.218 -9.717 -10.375 1.00 2.02 O ATOM 1098 OD2 ASP A 66 157.565 -10.062 -12.021 1.00 1.61 O ATOM 0 H ASP A 66 158.151 -7.550 -8.196 1.00 0.60 H new ATOM 0 HA ASP A 66 158.884 -10.186 -9.249 1.00 0.67 H new ATOM 0 HB2 ASP A 66 157.666 -7.620 -10.000 1.00 0.76 H new ATOM 0 HB3 ASP A 66 158.862 -8.073 -11.199 1.00 0.76 H new ATOM 1103 N ASP A 67 161.055 -7.727 -9.442 1.00 0.62 N ATOM 1104 CA ASP A 67 162.503 -7.480 -9.693 1.00 0.60 C ATOM 1105 C ASP A 67 163.339 -8.411 -8.816 1.00 0.54 C ATOM 1106 O ASP A 67 164.301 -9.005 -9.261 1.00 0.55 O ATOM 1107 CB ASP A 67 162.731 -6.019 -9.300 1.00 0.62 C ATOM 1108 CG ASP A 67 163.876 -5.438 -10.131 1.00 0.91 C ATOM 1109 OD1 ASP A 67 164.254 -6.067 -11.106 1.00 1.60 O ATOM 1110 OD2 ASP A 67 164.356 -4.373 -9.779 1.00 1.58 O ATOM 0 H ASP A 67 160.520 -6.911 -9.146 1.00 0.62 H new ATOM 0 HA ASP A 67 162.788 -7.666 -10.728 1.00 0.60 H new ATOM 0 HB2 ASP A 67 161.821 -5.442 -9.462 1.00 0.62 H new ATOM 0 HB3 ASP A 67 162.967 -5.950 -8.238 1.00 0.62 H new ATOM 1115 N LEU A 68 162.971 -8.552 -7.571 1.00 0.54 N ATOM 1116 CA LEU A 68 163.735 -9.454 -6.667 1.00 0.51 C ATOM 1117 C LEU A 68 163.524 -10.908 -7.095 1.00 0.52 C ATOM 1118 O LEU A 68 164.461 -11.665 -7.239 1.00 0.52 O ATOM 1119 CB LEU A 68 163.152 -9.211 -5.274 1.00 0.51 C ATOM 1120 CG LEU A 68 163.362 -7.749 -4.880 1.00 0.62 C ATOM 1121 CD1 LEU A 68 162.522 -7.426 -3.642 1.00 0.63 C ATOM 1122 CD2 LEU A 68 164.840 -7.515 -4.563 1.00 0.68 C ATOM 0 H LEU A 68 162.174 -8.081 -7.142 1.00 0.54 H new ATOM 0 HA LEU A 68 164.808 -9.262 -6.692 1.00 0.51 H new ATOM 0 HB2 LEU A 68 162.089 -9.451 -5.266 1.00 0.51 H new ATOM 0 HB3 LEU A 68 163.632 -9.867 -4.548 1.00 0.51 H new ATOM 0 HG LEU A 68 163.057 -7.105 -5.705 1.00 0.62 H new ATOM 0 HD11 LEU A 68 162.673 -6.383 -3.362 1.00 0.63 H new ATOM 0 HD12 LEU A 68 161.468 -7.594 -3.864 1.00 0.63 H new ATOM 0 HD13 LEU A 68 162.826 -8.071 -2.817 1.00 0.63 H new ATOM 0 HD21 LEU A 68 164.991 -6.473 -4.282 1.00 0.68 H new ATOM 0 HD22 LEU A 68 165.142 -8.161 -3.738 1.00 0.68 H new ATOM 0 HD23 LEU A 68 165.442 -7.744 -5.443 1.00 0.68 H new ATOM 1134 N LYS A 69 162.297 -11.299 -7.309 1.00 0.58 N ATOM 1135 CA LYS A 69 162.028 -12.701 -7.738 1.00 0.65 C ATOM 1136 C LYS A 69 162.952 -13.069 -8.902 1.00 0.62 C ATOM 1137 O LYS A 69 163.611 -14.091 -8.892 1.00 0.64 O ATOM 1138 CB LYS A 69 160.566 -12.704 -8.190 1.00 0.80 C ATOM 1139 CG LYS A 69 159.974 -14.103 -8.010 1.00 0.89 C ATOM 1140 CD LYS A 69 158.583 -14.154 -8.646 1.00 1.40 C ATOM 1141 CE LYS A 69 157.654 -13.173 -7.927 1.00 1.60 C ATOM 1142 NZ LYS A 69 156.358 -13.895 -7.791 1.00 2.20 N ATOM 0 H LYS A 69 161.471 -10.710 -7.206 1.00 0.58 H new ATOM 0 HA LYS A 69 162.206 -13.425 -6.942 1.00 0.65 H new ATOM 0 HB2 LYS A 69 159.994 -11.979 -7.610 1.00 0.80 H new ATOM 0 HB3 LYS A 69 160.498 -12.401 -9.235 1.00 0.80 H new ATOM 0 HG2 LYS A 69 160.624 -14.847 -8.471 1.00 0.89 H new ATOM 0 HG3 LYS A 69 159.910 -14.349 -6.950 1.00 0.89 H new ATOM 0 HD2 LYS A 69 158.646 -13.901 -9.704 1.00 1.40 H new ATOM 0 HD3 LYS A 69 158.180 -15.165 -8.583 1.00 1.40 H new ATOM 0 HE2 LYS A 69 158.054 -12.894 -6.952 1.00 1.60 H new ATOM 0 HE3 LYS A 69 157.534 -12.252 -8.498 1.00 1.60 H new ATOM 0 HZ1 LYS A 69 155.670 -13.284 -7.306 1.00 2.20 H new ATOM 0 HZ2 LYS A 69 155.998 -14.142 -8.735 1.00 2.20 H new ATOM 0 HZ3 LYS A 69 156.501 -14.763 -7.237 1.00 2.20 H new ATOM 1156 N ARG A 70 163.010 -12.236 -9.903 1.00 0.63 N ATOM 1157 CA ARG A 70 163.896 -12.530 -11.062 1.00 0.65 C ATOM 1158 C ARG A 70 165.344 -12.653 -10.588 1.00 0.58 C ATOM 1159 O ARG A 70 166.050 -13.574 -10.945 1.00 0.58 O ATOM 1160 CB ARG A 70 163.739 -11.327 -11.994 1.00 0.73 C ATOM 1161 CG ARG A 70 163.133 -11.780 -13.324 1.00 1.29 C ATOM 1162 CD ARG A 70 163.883 -11.113 -14.479 1.00 1.30 C ATOM 1163 NE ARG A 70 162.869 -10.253 -15.150 1.00 1.67 N ATOM 1164 CZ ARG A 70 163.035 -9.898 -16.396 1.00 2.27 C ATOM 1165 NH1 ARG A 70 162.631 -10.682 -17.357 1.00 3.01 N ATOM 1166 NH2 ARG A 70 163.606 -8.759 -16.680 1.00 2.72 N ATOM 0 H ARG A 70 162.483 -11.365 -9.968 1.00 0.63 H new ATOM 0 HA ARG A 70 163.638 -13.465 -11.559 1.00 0.65 H new ATOM 0 HB2 ARG A 70 163.100 -10.576 -11.529 1.00 0.73 H new ATOM 0 HB3 ARG A 70 164.708 -10.859 -12.166 1.00 0.73 H new ATOM 0 HG2 ARG A 70 163.195 -12.865 -13.414 1.00 1.29 H new ATOM 0 HG3 ARG A 70 162.076 -11.517 -13.363 1.00 1.29 H new ATOM 0 HD2 ARG A 70 164.723 -10.522 -14.115 1.00 1.30 H new ATOM 0 HD3 ARG A 70 164.289 -11.855 -15.167 1.00 1.30 H new ATOM 0 HE ARG A 70 162.045 -9.941 -14.636 1.00 1.67 H new ATOM 0 HH11 ARG A 70 162.185 -11.572 -17.136 1.00 3.01 H new ATOM 0 HH12 ARG A 70 162.761 -10.405 -18.330 1.00 3.01 H new ATOM 0 HH21 ARG A 70 163.923 -8.146 -15.929 1.00 2.72 H new ATOM 0 HH22 ARG A 70 163.736 -8.482 -17.653 1.00 2.72 H new ATOM 1180 N GLN A 71 165.791 -11.728 -9.785 1.00 0.52 N ATOM 1181 CA GLN A 71 167.194 -11.782 -9.288 1.00 0.49 C ATOM 1182 C GLN A 71 167.535 -13.186 -8.775 1.00 0.45 C ATOM 1183 O GLN A 71 168.149 -13.970 -9.470 1.00 0.48 O ATOM 1184 CB GLN A 71 167.255 -10.765 -8.149 1.00 0.45 C ATOM 1185 CG GLN A 71 167.282 -9.348 -8.727 1.00 0.80 C ATOM 1186 CD GLN A 71 167.261 -8.329 -7.586 1.00 0.99 C ATOM 1187 OE1 GLN A 71 167.739 -8.603 -6.503 1.00 1.89 O ATOM 1188 NE2 GLN A 71 166.723 -7.157 -7.785 1.00 1.51 N ATOM 0 H GLN A 71 165.244 -10.935 -9.451 1.00 0.52 H new ATOM 0 HA GLN A 71 167.912 -11.556 -10.076 1.00 0.49 H new ATOM 0 HB2 GLN A 71 166.392 -10.885 -7.494 1.00 0.45 H new ATOM 0 HB3 GLN A 71 168.143 -10.938 -7.541 1.00 0.45 H new ATOM 0 HG2 GLN A 71 168.176 -9.209 -9.336 1.00 0.80 H new ATOM 0 HG3 GLN A 71 166.424 -9.195 -9.381 1.00 0.80 H new ATOM 0 HE21 GLN A 71 166.322 -6.928 -8.694 1.00 1.51 H new ATOM 0 HE22 GLN A 71 166.704 -6.470 -7.031 1.00 1.51 H new ATOM 1197 N ASN A 72 167.165 -13.503 -7.556 1.00 0.42 N ATOM 1198 CA ASN A 72 167.496 -14.850 -6.998 1.00 0.42 C ATOM 1199 C ASN A 72 167.355 -15.936 -8.068 1.00 0.49 C ATOM 1200 O ASN A 72 168.014 -16.955 -8.012 1.00 0.54 O ATOM 1201 CB ASN A 72 166.512 -15.086 -5.848 1.00 0.44 C ATOM 1202 CG ASN A 72 165.119 -14.588 -6.234 1.00 0.54 C ATOM 1203 OD1 ASN A 72 164.651 -13.505 -5.677 1.00 0.96 O flip ATOM 1204 ND2 ASN A 72 164.448 -15.196 -7.041 1.00 0.71 N flip ATOM 0 H ASN A 72 166.650 -12.888 -6.926 1.00 0.42 H new ATOM 0 HA ASN A 72 168.528 -14.891 -6.651 1.00 0.42 H new ATOM 0 HB2 ASN A 72 166.472 -16.148 -5.606 1.00 0.44 H new ATOM 0 HB3 ASN A 72 166.856 -14.568 -4.953 1.00 0.44 H new ATOM 0 HD21 ASN A 72 164.816 -16.042 -7.475 1.00 0.71 H new ATOM 0 HD22 ASN A 72 163.516 -14.861 -7.285 1.00 0.71 H new ATOM 1211 N ALA A 73 166.522 -15.730 -9.052 1.00 0.53 N ATOM 1212 CA ALA A 73 166.381 -16.762 -10.117 1.00 0.61 C ATOM 1213 C ALA A 73 167.688 -16.859 -10.912 1.00 0.58 C ATOM 1214 O ALA A 73 168.093 -17.923 -11.340 1.00 0.60 O ATOM 1215 CB ALA A 73 165.242 -16.266 -11.010 1.00 0.69 C ATOM 0 H ALA A 73 165.939 -14.901 -9.164 1.00 0.53 H new ATOM 0 HA ALA A 73 166.170 -17.753 -9.715 1.00 0.61 H new ATOM 0 HB1 ALA A 73 165.079 -16.977 -11.820 1.00 0.69 H new ATOM 0 HB2 ALA A 73 164.331 -16.174 -10.419 1.00 0.69 H new ATOM 0 HB3 ALA A 73 165.504 -15.294 -11.427 1.00 0.69 H new ATOM 1221 N LEU A 74 168.350 -15.749 -11.107 1.00 0.56 N ATOM 1222 CA LEU A 74 169.632 -15.763 -11.871 1.00 0.57 C ATOM 1223 C LEU A 74 170.807 -16.088 -10.944 1.00 0.51 C ATOM 1224 O LEU A 74 171.636 -16.921 -11.252 1.00 0.56 O ATOM 1225 CB LEU A 74 169.771 -14.350 -12.437 1.00 0.62 C ATOM 1226 CG LEU A 74 168.811 -14.177 -13.615 1.00 1.10 C ATOM 1227 CD1 LEU A 74 167.428 -13.788 -13.092 1.00 1.69 C ATOM 1228 CD2 LEU A 74 169.333 -13.076 -14.540 1.00 1.84 C ATOM 0 H LEU A 74 168.058 -14.832 -10.770 1.00 0.56 H new ATOM 0 HA LEU A 74 169.633 -16.520 -12.655 1.00 0.57 H new ATOM 0 HB2 LEU A 74 169.552 -13.614 -11.664 1.00 0.62 H new ATOM 0 HB3 LEU A 74 170.797 -14.176 -12.761 1.00 0.62 H new ATOM 0 HG LEU A 74 168.741 -15.114 -14.167 1.00 1.10 H new ATOM 0 HD11 LEU A 74 166.743 -13.664 -13.931 1.00 1.69 H new ATOM 0 HD12 LEU A 74 167.055 -14.571 -12.432 1.00 1.69 H new ATOM 0 HD13 LEU A 74 167.498 -12.851 -12.540 1.00 1.69 H new ATOM 0 HD21 LEU A 74 168.649 -12.952 -15.380 1.00 1.84 H new ATOM 0 HD22 LEU A 74 169.403 -12.139 -13.987 1.00 1.84 H new ATOM 0 HD23 LEU A 74 170.320 -13.351 -14.913 1.00 1.84 H new ATOM 1240 N LEU A 75 170.890 -15.443 -9.810 1.00 0.44 N ATOM 1241 CA LEU A 75 172.020 -15.736 -8.882 1.00 0.40 C ATOM 1242 C LEU A 75 171.957 -17.201 -8.444 1.00 0.41 C ATOM 1243 O LEU A 75 172.949 -17.789 -8.067 1.00 0.44 O ATOM 1244 CB LEU A 75 171.824 -14.819 -7.670 1.00 0.38 C ATOM 1245 CG LEU A 75 171.693 -13.362 -8.111 1.00 0.46 C ATOM 1246 CD1 LEU A 75 170.219 -12.969 -8.118 1.00 0.45 C ATOM 1247 CD2 LEU A 75 172.442 -12.467 -7.122 1.00 0.54 C ATOM 0 H LEU A 75 170.231 -14.733 -9.489 1.00 0.44 H new ATOM 0 HA LEU A 75 172.987 -15.567 -9.356 1.00 0.40 H new ATOM 0 HB2 LEU A 75 170.932 -15.120 -7.121 1.00 0.38 H new ATOM 0 HB3 LEU A 75 172.668 -14.923 -6.988 1.00 0.38 H new ATOM 0 HG LEU A 75 172.113 -13.243 -9.110 1.00 0.46 H new ATOM 0 HD11 LEU A 75 170.121 -11.930 -8.432 1.00 0.45 H new ATOM 0 HD12 LEU A 75 169.675 -13.610 -8.811 1.00 0.45 H new ATOM 0 HD13 LEU A 75 169.807 -13.085 -7.116 1.00 0.45 H new ATOM 0 HD21 LEU A 75 172.351 -11.426 -7.433 1.00 0.54 H new ATOM 0 HD22 LEU A 75 172.014 -12.587 -6.127 1.00 0.54 H new ATOM 0 HD23 LEU A 75 173.495 -12.749 -7.101 1.00 0.54 H new ATOM 1259 N GLU A 76 170.791 -17.791 -8.489 1.00 0.43 N ATOM 1260 CA GLU A 76 170.654 -19.218 -8.072 1.00 0.47 C ATOM 1261 C GLU A 76 171.090 -20.149 -9.207 1.00 0.51 C ATOM 1262 O GLU A 76 171.864 -21.064 -9.008 1.00 0.57 O ATOM 1263 CB GLU A 76 169.167 -19.401 -7.770 1.00 0.53 C ATOM 1264 CG GLU A 76 168.933 -20.797 -7.189 1.00 0.65 C ATOM 1265 CD GLU A 76 168.626 -20.681 -5.696 1.00 0.78 C ATOM 1266 OE1 GLU A 76 167.946 -19.739 -5.322 1.00 0.92 O ATOM 1267 OE2 GLU A 76 169.076 -21.535 -4.950 1.00 1.65 O ATOM 0 H GLU A 76 169.927 -17.346 -8.797 1.00 0.43 H new ATOM 0 HA GLU A 76 171.278 -19.457 -7.211 1.00 0.47 H new ATOM 0 HB2 GLU A 76 168.832 -18.641 -7.064 1.00 0.53 H new ATOM 0 HB3 GLU A 76 168.581 -19.271 -8.680 1.00 0.53 H new ATOM 0 HG2 GLU A 76 168.105 -21.284 -7.705 1.00 0.65 H new ATOM 0 HG3 GLU A 76 169.814 -21.419 -7.343 1.00 0.65 H new ATOM 1274 N GLN A 77 170.600 -19.924 -10.397 1.00 0.51 N ATOM 1275 CA GLN A 77 170.993 -20.800 -11.539 1.00 0.58 C ATOM 1276 C GLN A 77 172.476 -20.603 -11.873 1.00 0.58 C ATOM 1277 O GLN A 77 173.045 -21.321 -12.673 1.00 0.63 O ATOM 1278 CB GLN A 77 170.114 -20.349 -12.707 1.00 0.62 C ATOM 1279 CG GLN A 77 170.407 -18.884 -13.033 1.00 0.74 C ATOM 1280 CD GLN A 77 169.669 -18.488 -14.314 1.00 1.26 C ATOM 1281 OE1 GLN A 77 168.618 -19.021 -14.612 1.00 1.80 O ATOM 1282 NE2 GLN A 77 170.177 -17.570 -15.090 1.00 1.88 N ATOM 0 H GLN A 77 169.947 -19.175 -10.627 1.00 0.51 H new ATOM 0 HA GLN A 77 170.857 -21.858 -11.313 1.00 0.58 H new ATOM 0 HB2 GLN A 77 170.305 -20.972 -13.581 1.00 0.62 H new ATOM 0 HB3 GLN A 77 169.061 -20.472 -12.452 1.00 0.62 H new ATOM 0 HG2 GLN A 77 170.091 -18.247 -12.207 1.00 0.74 H new ATOM 0 HG3 GLN A 77 171.480 -18.736 -13.158 1.00 0.74 H new ATOM 0 HE21 GLN A 77 171.059 -17.122 -14.841 1.00 1.88 H new ATOM 0 HE22 GLN A 77 169.692 -17.300 -15.946 1.00 1.88 H new ATOM 1291 N GLN A 78 173.112 -19.651 -11.247 1.00 0.59 N ATOM 1292 CA GLN A 78 174.558 -19.421 -11.513 1.00 0.64 C ATOM 1293 C GLN A 78 175.345 -19.953 -10.327 1.00 0.60 C ATOM 1294 O GLN A 78 176.353 -20.617 -10.468 1.00 0.63 O ATOM 1295 CB GLN A 78 174.708 -17.903 -11.631 1.00 0.69 C ATOM 1296 CG GLN A 78 176.192 -17.532 -11.623 1.00 0.67 C ATOM 1297 CD GLN A 78 176.788 -17.785 -13.008 1.00 0.83 C ATOM 1298 OE1 GLN A 78 176.692 -16.950 -13.885 1.00 1.37 O ATOM 1299 NE2 GLN A 78 177.404 -18.910 -13.243 1.00 1.56 N ATOM 0 H GLN A 78 172.691 -19.023 -10.562 1.00 0.59 H new ATOM 0 HA GLN A 78 174.921 -19.918 -12.413 1.00 0.64 H new ATOM 0 HB2 GLN A 78 174.240 -17.552 -12.550 1.00 0.69 H new ATOM 0 HB3 GLN A 78 174.195 -17.411 -10.804 1.00 0.69 H new ATOM 0 HG2 GLN A 78 176.314 -16.484 -11.349 1.00 0.67 H new ATOM 0 HG3 GLN A 78 176.721 -18.122 -10.874 1.00 0.67 H new ATOM 0 HE21 GLN A 78 177.484 -19.611 -12.506 1.00 1.56 H new ATOM 0 HE22 GLN A 78 177.805 -19.089 -14.163 1.00 1.56 H new ATOM 1308 N VAL A 79 174.855 -19.683 -9.155 1.00 0.59 N ATOM 1309 CA VAL A 79 175.517 -20.182 -7.929 1.00 0.60 C ATOM 1310 C VAL A 79 175.704 -21.701 -8.039 1.00 0.63 C ATOM 1311 O VAL A 79 176.737 -22.238 -7.692 1.00 0.68 O ATOM 1312 CB VAL A 79 174.531 -19.798 -6.814 1.00 0.64 C ATOM 1313 CG1 VAL A 79 174.398 -20.925 -5.794 1.00 0.73 C ATOM 1314 CG2 VAL A 79 175.035 -18.537 -6.108 1.00 0.72 C ATOM 0 H VAL A 79 174.013 -19.130 -8.994 1.00 0.59 H new ATOM 0 HA VAL A 79 176.509 -19.768 -7.750 1.00 0.60 H new ATOM 0 HB VAL A 79 173.554 -19.616 -7.261 1.00 0.64 H new ATOM 0 HG11 VAL A 79 173.695 -20.630 -5.015 1.00 0.73 H new ATOM 0 HG12 VAL A 79 174.033 -21.824 -6.291 1.00 0.73 H new ATOM 0 HG13 VAL A 79 175.371 -21.128 -5.347 1.00 0.73 H new ATOM 0 HG21 VAL A 79 174.339 -18.261 -5.316 1.00 0.72 H new ATOM 0 HG22 VAL A 79 176.017 -18.729 -5.677 1.00 0.72 H new ATOM 0 HG23 VAL A 79 175.108 -17.722 -6.828 1.00 0.72 H new ATOM 1741 N ILE B 19 132.173 13.386 6.000 1.00 1.19 N ATOM 1742 CA ILE B 19 131.973 12.280 5.013 1.00 1.05 C ATOM 1743 C ILE B 19 131.961 12.872 3.602 1.00 0.94 C ATOM 1744 O ILE B 19 132.953 12.816 2.905 1.00 0.95 O ATOM 1745 CB ILE B 19 130.629 11.645 5.404 1.00 1.28 C ATOM 1746 CG1 ILE B 19 130.773 11.036 6.794 1.00 1.91 C ATOM 1747 CG2 ILE B 19 130.248 10.520 4.434 1.00 1.51 C ATOM 1748 CD1 ILE B 19 131.741 9.857 6.703 1.00 1.99 C ATOM 0 HA ILE B 19 132.762 11.528 5.021 1.00 1.05 H new ATOM 0 HB ILE B 19 129.858 12.415 5.377 1.00 1.28 H new ATOM 0 HG12 ILE B 19 131.146 11.780 7.498 1.00 1.91 H new ATOM 0 HG13 ILE B 19 129.804 10.704 7.165 1.00 1.91 H new ATOM 0 HG21 ILE B 19 129.293 10.088 4.734 1.00 1.51 H new ATOM 0 HG22 ILE B 19 130.163 10.923 3.425 1.00 1.51 H new ATOM 0 HG23 ILE B 19 131.017 9.748 4.452 1.00 1.51 H new ATOM 0 HD11 ILE B 19 131.859 9.406 7.688 1.00 1.99 H new ATOM 0 HD12 ILE B 19 131.346 9.115 6.009 1.00 1.99 H new ATOM 0 HD13 ILE B 19 132.709 10.208 6.347 1.00 1.99 H new ATOM 1760 N LYS B 20 130.864 13.455 3.189 1.00 0.98 N ATOM 1761 CA LYS B 20 130.806 14.085 1.827 1.00 1.01 C ATOM 1762 C LYS B 20 132.176 14.658 1.442 1.00 0.95 C ATOM 1763 O LYS B 20 132.651 14.471 0.340 1.00 0.98 O ATOM 1764 CB LYS B 20 129.794 15.222 1.944 1.00 1.24 C ATOM 1765 CG LYS B 20 128.379 14.654 2.074 1.00 1.39 C ATOM 1766 CD LYS B 20 127.367 15.803 2.055 1.00 1.83 C ATOM 1767 CE LYS B 20 125.988 15.267 1.664 1.00 2.31 C ATOM 1768 NZ LYS B 20 125.170 15.370 2.904 1.00 2.83 N ATOM 0 H LYS B 20 130.004 13.524 3.733 1.00 0.98 H new ATOM 0 HA LYS B 20 130.526 13.358 1.065 1.00 1.01 H new ATOM 0 HB2 LYS B 20 130.028 15.840 2.811 1.00 1.24 H new ATOM 0 HB3 LYS B 20 129.857 15.867 1.067 1.00 1.24 H new ATOM 0 HG2 LYS B 20 128.176 13.962 1.256 1.00 1.39 H new ATOM 0 HG3 LYS B 20 128.286 14.088 3.001 1.00 1.39 H new ATOM 0 HD2 LYS B 20 127.320 16.275 3.036 1.00 1.83 H new ATOM 0 HD3 LYS B 20 127.685 16.569 1.347 1.00 1.83 H new ATOM 0 HE2 LYS B 20 125.552 15.852 0.854 1.00 2.31 H new ATOM 0 HE3 LYS B 20 126.049 14.236 1.316 1.00 2.31 H new ATOM 0 HZ1 LYS B 20 124.209 15.020 2.716 1.00 2.83 H new ATOM 0 HZ2 LYS B 20 125.605 14.798 3.656 1.00 2.83 H new ATOM 0 HZ3 LYS B 20 125.124 16.364 3.208 1.00 2.83 H new ATOM 1782 N ASP B 21 132.828 15.343 2.347 1.00 0.95 N ATOM 1783 CA ASP B 21 134.173 15.892 2.014 1.00 1.01 C ATOM 1784 C ASP B 21 135.080 14.727 1.631 1.00 0.99 C ATOM 1785 O ASP B 21 135.612 14.672 0.541 1.00 1.03 O ATOM 1786 CB ASP B 21 134.675 16.572 3.290 1.00 1.16 C ATOM 1787 CG ASP B 21 135.580 17.749 2.919 1.00 2.09 C ATOM 1788 OD1 ASP B 21 136.512 17.541 2.160 1.00 2.71 O ATOM 1789 OD2 ASP B 21 135.325 18.841 3.402 1.00 2.72 O ATOM 0 H ASP B 21 132.492 15.543 3.289 1.00 0.95 H new ATOM 0 HA ASP B 21 134.152 16.599 1.185 1.00 1.01 H new ATOM 0 HB2 ASP B 21 133.831 16.922 3.885 1.00 1.16 H new ATOM 0 HB3 ASP B 21 135.223 15.857 3.904 1.00 1.16 H new ATOM 1794 N SER B 22 135.230 13.774 2.512 1.00 1.00 N ATOM 1795 CA SER B 22 136.069 12.594 2.181 1.00 1.09 C ATOM 1796 C SER B 22 135.468 11.910 0.956 1.00 1.00 C ATOM 1797 O SER B 22 136.170 11.452 0.076 1.00 1.03 O ATOM 1798 CB SER B 22 135.995 11.682 3.405 1.00 1.27 C ATOM 1799 OG SER B 22 136.733 12.266 4.471 1.00 1.82 O ATOM 0 H SER B 22 134.809 13.764 3.441 1.00 1.00 H new ATOM 0 HA SER B 22 137.104 12.851 1.954 1.00 1.09 H new ATOM 0 HB2 SER B 22 134.957 11.537 3.703 1.00 1.27 H new ATOM 0 HB3 SER B 22 136.398 10.698 3.165 1.00 1.27 H new ATOM 0 HG SER B 22 136.686 11.684 5.258 1.00 1.82 H new ATOM 1805 N PHE B 23 134.161 11.866 0.882 1.00 0.95 N ATOM 1806 CA PHE B 23 133.508 11.244 -0.300 1.00 0.96 C ATOM 1807 C PHE B 23 134.112 11.858 -1.560 1.00 0.86 C ATOM 1808 O PHE B 23 134.726 11.179 -2.355 1.00 0.89 O ATOM 1809 CB PHE B 23 132.023 11.612 -0.193 1.00 1.07 C ATOM 1810 CG PHE B 23 131.229 10.560 0.561 1.00 0.83 C ATOM 1811 CD1 PHE B 23 131.739 9.271 0.785 1.00 1.34 C ATOM 1812 CD2 PHE B 23 129.945 10.881 1.031 1.00 1.52 C ATOM 1813 CE1 PHE B 23 130.976 8.338 1.475 1.00 1.35 C ATOM 1814 CE2 PHE B 23 129.192 9.937 1.717 1.00 1.62 C ATOM 1815 CZ PHE B 23 129.702 8.671 1.942 1.00 1.03 C ATOM 0 H PHE B 23 133.524 12.234 1.589 1.00 0.95 H new ATOM 0 HA PHE B 23 133.644 10.163 -0.340 1.00 0.96 H new ATOM 0 HB2 PHE B 23 131.923 12.573 0.312 1.00 1.07 H new ATOM 0 HB3 PHE B 23 131.607 11.733 -1.193 1.00 1.07 H new ATOM 0 HD1 PHE B 23 132.721 9.006 0.422 1.00 1.34 H new ATOM 0 HD2 PHE B 23 129.541 11.868 0.858 1.00 1.52 H new ATOM 0 HE1 PHE B 23 131.370 7.348 1.652 1.00 1.35 H new ATOM 0 HE2 PHE B 23 128.206 10.192 2.076 1.00 1.62 H new ATOM 0 HZ PHE B 23 129.115 7.940 2.479 1.00 1.03 H new ATOM 1825 N HIS B 24 133.960 13.146 -1.740 1.00 0.84 N ATOM 1826 CA HIS B 24 134.553 13.790 -2.947 1.00 0.88 C ATOM 1827 C HIS B 24 135.973 13.260 -3.147 1.00 0.86 C ATOM 1828 O HIS B 24 136.371 12.912 -4.242 1.00 0.87 O ATOM 1829 CB HIS B 24 134.574 15.288 -2.644 1.00 0.97 C ATOM 1830 CG HIS B 24 134.187 16.050 -3.882 1.00 1.36 C ATOM 1831 ND1 HIS B 24 134.617 15.675 -5.146 1.00 2.01 N ATOM 1832 CD2 HIS B 24 133.407 17.165 -4.067 1.00 1.95 C ATOM 1833 CE1 HIS B 24 134.098 16.550 -6.027 1.00 2.41 C ATOM 1834 NE2 HIS B 24 133.352 17.479 -5.422 1.00 2.34 N ATOM 0 H HIS B 24 133.457 13.771 -1.111 1.00 0.84 H new ATOM 0 HA HIS B 24 133.988 13.581 -3.856 1.00 0.88 H new ATOM 0 HB2 HIS B 24 133.884 15.516 -1.832 1.00 0.97 H new ATOM 0 HB3 HIS B 24 135.568 15.590 -2.313 1.00 0.97 H new ATOM 0 HD2 HIS B 24 132.911 17.715 -3.281 1.00 1.95 H new ATOM 0 HE1 HIS B 24 134.264 16.507 -7.093 1.00 2.41 H new ATOM 0 HE2 HIS B 24 132.850 18.252 -5.859 1.00 2.34 H new ATOM 1842 N SER B 25 136.730 13.172 -2.087 1.00 0.95 N ATOM 1843 CA SER B 25 138.113 12.635 -2.205 1.00 1.05 C ATOM 1844 C SER B 25 138.038 11.137 -2.502 1.00 0.93 C ATOM 1845 O SER B 25 138.872 10.582 -3.190 1.00 0.96 O ATOM 1846 CB SER B 25 138.757 12.885 -0.841 1.00 1.27 C ATOM 1847 OG SER B 25 140.151 12.621 -0.924 1.00 1.36 O ATOM 0 H SER B 25 136.450 13.449 -1.146 1.00 0.95 H new ATOM 0 HA SER B 25 138.686 13.104 -3.005 1.00 1.05 H new ATOM 0 HB2 SER B 25 138.588 13.916 -0.530 1.00 1.27 H new ATOM 0 HB3 SER B 25 138.298 12.245 -0.087 1.00 1.27 H new ATOM 0 HG SER B 25 140.567 12.782 -0.051 1.00 1.36 H new ATOM 1853 N LEU B 26 137.026 10.483 -1.993 1.00 0.92 N ATOM 1854 CA LEU B 26 136.869 9.023 -2.247 1.00 0.96 C ATOM 1855 C LEU B 26 136.319 8.803 -3.655 1.00 0.85 C ATOM 1856 O LEU B 26 136.870 8.058 -4.442 1.00 0.86 O ATOM 1857 CB LEU B 26 135.862 8.538 -1.201 1.00 1.12 C ATOM 1858 CG LEU B 26 136.611 8.048 0.037 1.00 1.31 C ATOM 1859 CD1 LEU B 26 135.855 8.475 1.295 1.00 1.52 C ATOM 1860 CD2 LEU B 26 136.724 6.521 0.012 1.00 1.63 C ATOM 0 H LEU B 26 136.300 10.900 -1.411 1.00 0.92 H new ATOM 0 HA LEU B 26 137.815 8.485 -2.177 1.00 0.96 H new ATOM 0 HB2 LEU B 26 135.183 9.347 -0.932 1.00 1.12 H new ATOM 0 HB3 LEU B 26 135.253 7.734 -1.613 1.00 1.12 H new ATOM 0 HG LEU B 26 137.610 8.483 0.041 1.00 1.31 H new ATOM 0 HD11 LEU B 26 136.390 8.125 2.178 1.00 1.52 H new ATOM 0 HD12 LEU B 26 135.780 9.562 1.323 1.00 1.52 H new ATOM 0 HD13 LEU B 26 134.854 8.043 1.282 1.00 1.52 H new ATOM 0 HD21 LEU B 26 137.259 6.181 0.899 1.00 1.63 H new ATOM 0 HD22 LEU B 26 135.726 6.082 0.000 1.00 1.63 H new ATOM 0 HD23 LEU B 26 137.267 6.211 -0.881 1.00 1.63 H new ATOM 1872 N ARG B 27 135.227 9.442 -3.980 1.00 0.86 N ATOM 1873 CA ARG B 27 134.646 9.264 -5.338 1.00 0.93 C ATOM 1874 C ARG B 27 135.739 9.482 -6.383 1.00 0.86 C ATOM 1875 O ARG B 27 135.823 8.778 -7.369 1.00 0.96 O ATOM 1876 CB ARG B 27 133.560 10.334 -5.455 1.00 1.07 C ATOM 1877 CG ARG B 27 132.403 9.794 -6.298 1.00 1.09 C ATOM 1878 CD ARG B 27 132.186 10.702 -7.510 1.00 1.11 C ATOM 1879 NE ARG B 27 131.562 11.935 -6.957 1.00 1.55 N ATOM 1880 CZ ARG B 27 131.591 13.045 -7.643 1.00 1.93 C ATOM 1881 NH1 ARG B 27 132.627 13.835 -7.562 1.00 2.45 N ATOM 1882 NH2 ARG B 27 130.585 13.365 -8.409 1.00 2.34 N ATOM 0 H ARG B 27 134.716 10.076 -3.366 1.00 0.86 H new ATOM 0 HA ARG B 27 134.236 8.267 -5.496 1.00 0.93 H new ATOM 0 HB2 ARG B 27 133.202 10.615 -4.464 1.00 1.07 H new ATOM 0 HB3 ARG B 27 133.969 11.234 -5.913 1.00 1.07 H new ATOM 0 HG2 ARG B 27 132.622 8.778 -6.626 1.00 1.09 H new ATOM 0 HG3 ARG B 27 131.494 9.747 -5.699 1.00 1.09 H new ATOM 0 HD2 ARG B 27 133.128 10.926 -8.010 1.00 1.11 H new ATOM 0 HD3 ARG B 27 131.539 10.228 -8.248 1.00 1.11 H new ATOM 0 HE ARG B 27 131.112 11.912 -6.042 1.00 1.55 H new ATOM 0 HH11 ARG B 27 133.414 13.585 -6.963 1.00 2.45 H new ATOM 0 HH12 ARG B 27 132.650 14.703 -8.098 1.00 2.45 H new ATOM 0 HH21 ARG B 27 129.775 12.748 -8.472 1.00 2.34 H new ATOM 0 HH22 ARG B 27 130.608 14.233 -8.945 1.00 2.34 H new ATOM 1896 N ASP B 28 136.589 10.445 -6.158 1.00 0.86 N ATOM 1897 CA ASP B 28 137.694 10.707 -7.119 1.00 0.89 C ATOM 1898 C ASP B 28 138.801 9.668 -6.922 1.00 0.82 C ATOM 1899 O ASP B 28 139.796 9.665 -7.620 1.00 0.86 O ATOM 1900 CB ASP B 28 138.199 12.106 -6.759 1.00 1.04 C ATOM 1901 CG ASP B 28 138.823 12.763 -7.991 1.00 1.25 C ATOM 1902 OD1 ASP B 28 138.211 12.702 -9.045 1.00 1.66 O ATOM 1903 OD2 ASP B 28 139.901 13.319 -7.859 1.00 1.76 O ATOM 0 H ASP B 28 136.565 11.063 -5.347 1.00 0.86 H new ATOM 0 HA ASP B 28 137.374 10.646 -8.159 1.00 0.89 H new ATOM 0 HB2 ASP B 28 137.375 12.716 -6.388 1.00 1.04 H new ATOM 0 HB3 ASP B 28 138.935 12.042 -5.957 1.00 1.04 H new ATOM 1908 N SER B 29 138.639 8.791 -5.965 1.00 0.76 N ATOM 1909 CA SER B 29 139.684 7.763 -5.710 1.00 0.76 C ATOM 1910 C SER B 29 139.461 6.514 -6.573 1.00 0.71 C ATOM 1911 O SER B 29 140.401 5.958 -7.105 1.00 0.76 O ATOM 1912 CB SER B 29 139.553 7.422 -4.227 1.00 0.83 C ATOM 1913 OG SER B 29 140.812 7.601 -3.594 1.00 1.24 O ATOM 0 H SER B 29 137.826 8.745 -5.350 1.00 0.76 H new ATOM 0 HA SER B 29 140.678 8.132 -5.963 1.00 0.76 H new ATOM 0 HB2 SER B 29 138.803 8.060 -3.760 1.00 0.83 H new ATOM 0 HB3 SER B 29 139.215 6.393 -4.107 1.00 0.83 H new ATOM 0 HG SER B 29 140.733 7.385 -2.641 1.00 1.24 H new ATOM 1919 N VAL B 30 138.243 6.047 -6.718 1.00 0.70 N ATOM 1920 CA VAL B 30 138.038 4.828 -7.550 1.00 0.72 C ATOM 1921 C VAL B 30 137.134 5.117 -8.746 1.00 0.75 C ATOM 1922 O VAL B 30 136.008 4.671 -8.791 1.00 0.79 O ATOM 1923 CB VAL B 30 137.375 3.806 -6.631 1.00 0.76 C ATOM 1924 CG1 VAL B 30 137.028 2.554 -7.443 1.00 0.85 C ATOM 1925 CG2 VAL B 30 138.338 3.435 -5.501 1.00 0.83 C ATOM 0 H VAL B 30 137.402 6.449 -6.305 1.00 0.70 H new ATOM 0 HA VAL B 30 138.985 4.468 -7.952 1.00 0.72 H new ATOM 0 HB VAL B 30 136.466 4.229 -6.203 1.00 0.76 H new ATOM 0 HG11 VAL B 30 136.554 1.819 -6.793 1.00 0.85 H new ATOM 0 HG12 VAL B 30 136.344 2.821 -8.249 1.00 0.85 H new ATOM 0 HG13 VAL B 30 137.939 2.130 -7.866 1.00 0.85 H new ATOM 0 HG21 VAL B 30 137.865 2.705 -4.844 1.00 0.83 H new ATOM 0 HG22 VAL B 30 139.247 3.007 -5.924 1.00 0.83 H new ATOM 0 HG23 VAL B 30 138.589 4.328 -4.929 1.00 0.83 H new ATOM 2095 N GLN B 42 129.494 6.138 -3.875 1.00 0.77 N ATOM 2096 CA GLN B 42 129.776 4.781 -4.420 1.00 0.96 C ATOM 2097 C GLN B 42 131.177 4.278 -4.044 1.00 0.95 C ATOM 2098 O GLN B 42 131.570 3.166 -4.389 1.00 1.18 O ATOM 2099 CB GLN B 42 129.685 5.003 -5.918 1.00 1.18 C ATOM 2100 CG GLN B 42 130.556 6.198 -6.308 1.00 1.42 C ATOM 2101 CD GLN B 42 131.375 5.841 -7.540 1.00 1.68 C ATOM 2102 OE1 GLN B 42 132.508 6.257 -7.674 1.00 2.48 O ATOM 2103 NE2 GLN B 42 130.840 5.087 -8.454 1.00 1.73 N ATOM 0 HA GLN B 42 129.091 4.027 -4.031 1.00 0.96 H new ATOM 0 HB2 GLN B 42 130.014 4.110 -6.450 1.00 1.18 H new ATOM 0 HB3 GLN B 42 128.650 5.183 -6.208 1.00 1.18 H new ATOM 0 HG2 GLN B 42 129.931 7.067 -6.512 1.00 1.42 H new ATOM 0 HG3 GLN B 42 131.216 6.466 -5.483 1.00 1.42 H new ATOM 0 HE21 GLN B 42 129.888 4.740 -8.336 1.00 1.73 H new ATOM 0 HE22 GLN B 42 131.372 4.842 -9.289 1.00 1.73 H new ATOM 2112 N ILE B 43 131.948 5.050 -3.337 1.00 0.85 N ATOM 2113 CA ILE B 43 133.298 4.549 -2.992 1.00 0.92 C ATOM 2114 C ILE B 43 133.164 3.522 -1.888 1.00 0.82 C ATOM 2115 O ILE B 43 133.594 2.404 -2.016 1.00 0.75 O ATOM 2116 CB ILE B 43 134.095 5.764 -2.523 1.00 1.18 C ATOM 2117 CG1 ILE B 43 133.705 6.992 -3.353 1.00 1.66 C ATOM 2118 CG2 ILE B 43 135.586 5.479 -2.715 1.00 1.84 C ATOM 2119 CD1 ILE B 43 133.091 8.052 -2.436 1.00 2.40 C ATOM 0 H ILE B 43 131.710 5.980 -2.992 1.00 0.85 H new ATOM 0 HA ILE B 43 133.799 4.072 -3.834 1.00 0.92 H new ATOM 0 HB ILE B 43 133.881 5.959 -1.472 1.00 1.18 H new ATOM 0 HG12 ILE B 43 134.582 7.396 -3.858 1.00 1.66 H new ATOM 0 HG13 ILE B 43 132.993 6.709 -4.128 1.00 1.66 H new ATOM 0 HG21 ILE B 43 136.167 6.340 -2.384 1.00 1.84 H new ATOM 0 HG22 ILE B 43 135.868 4.604 -2.129 1.00 1.84 H new ATOM 0 HG23 ILE B 43 135.787 5.290 -3.769 1.00 1.84 H new ATOM 0 HD11 ILE B 43 132.813 8.926 -3.025 1.00 2.40 H new ATOM 0 HD12 ILE B 43 132.204 7.644 -1.951 1.00 2.40 H new ATOM 0 HD13 ILE B 43 133.818 8.342 -1.677 1.00 2.40 H new ATOM 2131 N LEU B 44 132.544 3.908 -0.821 1.00 0.90 N ATOM 2132 CA LEU B 44 132.331 2.980 0.332 1.00 0.90 C ATOM 2133 C LEU B 44 132.184 1.547 -0.162 1.00 0.79 C ATOM 2134 O LEU B 44 132.707 0.625 0.423 1.00 0.73 O ATOM 2135 CB LEU B 44 131.052 3.488 0.998 1.00 0.99 C ATOM 2136 CG LEU B 44 131.156 5.012 1.165 1.00 0.91 C ATOM 2137 CD1 LEU B 44 130.215 5.485 2.265 1.00 0.84 C ATOM 2138 CD2 LEU B 44 132.602 5.383 1.539 1.00 1.55 C ATOM 0 H LEU B 44 132.164 4.845 -0.687 1.00 0.90 H new ATOM 0 HA LEU B 44 133.168 2.967 1.030 1.00 0.90 H new ATOM 0 HB2 LEU B 44 130.183 3.233 0.392 1.00 0.99 H new ATOM 0 HB3 LEU B 44 130.915 3.010 1.968 1.00 0.99 H new ATOM 0 HG LEU B 44 130.878 5.494 0.228 1.00 0.91 H new ATOM 0 HD11 LEU B 44 130.297 6.566 2.374 1.00 0.84 H new ATOM 0 HD12 LEU B 44 129.190 5.224 2.004 1.00 0.84 H new ATOM 0 HD13 LEU B 44 130.484 5.004 3.205 1.00 0.84 H new ATOM 0 HD21 LEU B 44 132.681 6.464 1.659 1.00 1.55 H new ATOM 0 HD22 LEU B 44 132.873 4.894 2.475 1.00 1.55 H new ATOM 0 HD23 LEU B 44 133.278 5.055 0.749 1.00 1.55 H new ATOM 2150 N ASP B 45 131.526 1.351 -1.264 1.00 0.91 N ATOM 2151 CA ASP B 45 131.423 -0.028 -1.796 1.00 0.87 C ATOM 2152 C ASP B 45 132.826 -0.461 -2.226 1.00 0.73 C ATOM 2153 O ASP B 45 133.383 -1.425 -1.718 1.00 0.66 O ATOM 2154 CB ASP B 45 130.479 0.064 -2.997 1.00 1.04 C ATOM 2155 CG ASP B 45 129.635 -1.210 -3.083 1.00 1.80 C ATOM 2156 OD1 ASP B 45 130.090 -2.233 -2.598 1.00 2.42 O ATOM 2157 OD2 ASP B 45 128.547 -1.140 -3.633 1.00 2.49 O ATOM 0 H ASP B 45 131.061 2.075 -1.813 1.00 0.91 H new ATOM 0 HA ASP B 45 131.045 -0.751 -1.074 1.00 0.87 H new ATOM 0 HB2 ASP B 45 129.832 0.935 -2.898 1.00 1.04 H new ATOM 0 HB3 ASP B 45 131.053 0.195 -3.914 1.00 1.04 H new ATOM 2162 N LYS B 46 133.421 0.269 -3.138 1.00 0.78 N ATOM 2163 CA LYS B 46 134.806 -0.089 -3.574 1.00 0.75 C ATOM 2164 C LYS B 46 135.803 0.154 -2.427 1.00 0.65 C ATOM 2165 O LYS B 46 136.714 -0.615 -2.206 1.00 0.75 O ATOM 2166 CB LYS B 46 135.100 0.835 -4.758 1.00 0.90 C ATOM 2167 CG LYS B 46 134.788 0.100 -6.065 1.00 1.35 C ATOM 2168 CD LYS B 46 135.716 -1.106 -6.208 1.00 1.43 C ATOM 2169 CE LYS B 46 136.376 -1.093 -7.593 1.00 1.86 C ATOM 2170 NZ LYS B 46 137.569 -1.980 -7.461 1.00 2.14 N ATOM 0 H LYS B 46 133.014 1.086 -3.594 1.00 0.78 H new ATOM 0 HA LYS B 46 134.896 -1.140 -3.850 1.00 0.75 H new ATOM 0 HB2 LYS B 46 134.499 1.741 -4.685 1.00 0.90 H new ATOM 0 HB3 LYS B 46 136.145 1.144 -4.742 1.00 0.90 H new ATOM 0 HG2 LYS B 46 133.748 -0.226 -6.072 1.00 1.35 H new ATOM 0 HG3 LYS B 46 134.917 0.773 -6.912 1.00 1.35 H new ATOM 0 HD2 LYS B 46 136.480 -1.083 -5.431 1.00 1.43 H new ATOM 0 HD3 LYS B 46 135.152 -2.029 -6.073 1.00 1.43 H new ATOM 0 HE2 LYS B 46 135.693 -1.461 -8.359 1.00 1.86 H new ATOM 0 HE3 LYS B 46 136.665 -0.083 -7.883 1.00 1.86 H new ATOM 0 HZ1 LYS B 46 137.761 -2.442 -8.373 1.00 2.14 H new ATOM 0 HZ2 LYS B 46 138.394 -1.413 -7.180 1.00 2.14 H new ATOM 0 HZ3 LYS B 46 137.385 -2.704 -6.738 1.00 2.14 H new ATOM 2184 N ALA B 47 135.631 1.218 -1.694 1.00 0.57 N ATOM 2185 CA ALA B 47 136.555 1.518 -0.565 1.00 0.61 C ATOM 2186 C ALA B 47 136.657 0.319 0.380 1.00 0.68 C ATOM 2187 O ALA B 47 137.697 -0.298 0.498 1.00 0.71 O ATOM 2188 CB ALA B 47 135.926 2.714 0.155 1.00 0.67 C ATOM 0 H ALA B 47 134.883 1.898 -1.830 1.00 0.57 H new ATOM 0 HA ALA B 47 137.566 1.732 -0.911 1.00 0.61 H new ATOM 0 HB1 ALA B 47 136.550 2.997 1.003 1.00 0.67 H new ATOM 0 HB2 ALA B 47 135.848 3.554 -0.535 1.00 0.67 H new ATOM 0 HB3 ALA B 47 134.932 2.443 0.510 1.00 0.67 H new ATOM 2194 N THR B 48 135.594 -0.014 1.064 1.00 0.77 N ATOM 2195 CA THR B 48 135.658 -1.170 2.005 1.00 0.92 C ATOM 2196 C THR B 48 136.392 -2.346 1.361 1.00 0.85 C ATOM 2197 O THR B 48 137.347 -2.860 1.911 1.00 0.91 O ATOM 2198 CB THR B 48 134.211 -1.556 2.310 1.00 1.09 C ATOM 2199 OG1 THR B 48 133.400 -0.393 2.332 1.00 2.02 O ATOM 2200 CG2 THR B 48 134.152 -2.247 3.676 1.00 1.20 C ATOM 0 H THR B 48 134.692 0.460 1.013 1.00 0.77 H new ATOM 0 HA THR B 48 136.201 -0.907 2.913 1.00 0.92 H new ATOM 0 HB THR B 48 133.844 -2.234 1.539 1.00 1.09 H new ATOM 0 HG1 THR B 48 133.041 -0.227 1.435 1.00 2.02 H new ATOM 0 HG21 THR B 48 133.122 -2.525 3.899 1.00 1.20 H new ATOM 0 HG22 THR B 48 134.773 -3.142 3.658 1.00 1.20 H new ATOM 0 HG23 THR B 48 134.519 -1.566 4.444 1.00 1.20 H new ATOM 2208 N GLU B 49 135.961 -2.795 0.209 1.00 0.78 N ATOM 2209 CA GLU B 49 136.666 -3.952 -0.415 1.00 0.81 C ATOM 2210 C GLU B 49 138.155 -3.627 -0.589 1.00 0.70 C ATOM 2211 O GLU B 49 139.007 -4.470 -0.398 1.00 0.72 O ATOM 2212 CB GLU B 49 135.954 -4.208 -1.759 1.00 0.83 C ATOM 2213 CG GLU B 49 136.591 -3.410 -2.906 1.00 1.22 C ATOM 2214 CD GLU B 49 136.360 -4.153 -4.223 1.00 1.67 C ATOM 2215 OE1 GLU B 49 136.195 -5.361 -4.178 1.00 2.27 O ATOM 2216 OE2 GLU B 49 136.356 -3.502 -5.255 1.00 2.27 O ATOM 0 H GLU B 49 135.170 -2.420 -0.315 1.00 0.78 H new ATOM 0 HA GLU B 49 136.626 -4.849 0.203 1.00 0.81 H new ATOM 0 HB2 GLU B 49 135.991 -5.272 -1.993 1.00 0.83 H new ATOM 0 HB3 GLU B 49 134.902 -3.938 -1.670 1.00 0.83 H new ATOM 0 HG2 GLU B 49 136.156 -2.412 -2.956 1.00 1.22 H new ATOM 0 HG3 GLU B 49 137.659 -3.284 -2.728 1.00 1.22 H new ATOM 2223 N TYR B 50 138.476 -2.411 -0.945 1.00 0.70 N ATOM 2224 CA TYR B 50 139.908 -2.038 -1.128 1.00 0.67 C ATOM 2225 C TYR B 50 140.659 -2.068 0.209 1.00 0.61 C ATOM 2226 O TYR B 50 141.730 -2.632 0.316 1.00 0.58 O ATOM 2227 CB TYR B 50 139.871 -0.616 -1.683 1.00 0.88 C ATOM 2228 CG TYR B 50 140.167 -0.651 -3.161 1.00 0.71 C ATOM 2229 CD1 TYR B 50 141.484 -0.800 -3.607 1.00 1.56 C ATOM 2230 CD2 TYR B 50 139.124 -0.538 -4.086 1.00 1.38 C ATOM 2231 CE1 TYR B 50 141.758 -0.835 -4.978 1.00 1.86 C ATOM 2232 CE2 TYR B 50 139.396 -0.574 -5.456 1.00 1.82 C ATOM 2233 CZ TYR B 50 140.714 -0.723 -5.904 1.00 1.72 C ATOM 2234 OH TYR B 50 140.984 -0.758 -7.257 1.00 2.36 O ATOM 0 H TYR B 50 137.807 -1.660 -1.117 1.00 0.70 H new ATOM 0 HA TYR B 50 140.427 -2.732 -1.790 1.00 0.67 H new ATOM 0 HB2 TYR B 50 138.892 -0.170 -1.507 1.00 0.88 H new ATOM 0 HB3 TYR B 50 140.603 0.007 -1.168 1.00 0.88 H new ATOM 0 HD1 TYR B 50 142.289 -0.888 -2.893 1.00 1.56 H new ATOM 0 HD2 TYR B 50 138.107 -0.423 -3.741 1.00 1.38 H new ATOM 0 HE1 TYR B 50 142.775 -0.948 -5.322 1.00 1.86 H new ATOM 0 HE2 TYR B 50 138.590 -0.487 -6.169 1.00 1.82 H new ATOM 0 HH TYR B 50 140.148 -0.668 -7.760 1.00 2.36 H new ATOM 2244 N ILE B 51 140.115 -1.458 1.226 1.00 0.70 N ATOM 2245 CA ILE B 51 140.812 -1.447 2.546 1.00 0.76 C ATOM 2246 C ILE B 51 141.219 -2.868 2.952 1.00 0.70 C ATOM 2247 O ILE B 51 142.246 -3.075 3.567 1.00 0.76 O ATOM 2248 CB ILE B 51 139.796 -0.872 3.533 1.00 0.98 C ATOM 2249 CG1 ILE B 51 139.352 0.516 3.057 1.00 1.05 C ATOM 2250 CG2 ILE B 51 140.440 -0.754 4.918 1.00 1.33 C ATOM 2251 CD1 ILE B 51 138.604 1.230 4.184 1.00 0.74 C ATOM 0 H ILE B 51 139.221 -0.968 1.202 1.00 0.70 H new ATOM 0 HA ILE B 51 141.728 -0.857 2.518 1.00 0.76 H new ATOM 0 HB ILE B 51 138.930 -1.532 3.590 1.00 0.98 H new ATOM 0 HG12 ILE B 51 140.219 1.102 2.754 1.00 1.05 H new ATOM 0 HG13 ILE B 51 138.709 0.423 2.182 1.00 1.05 H new ATOM 0 HG21 ILE B 51 139.716 -0.344 5.622 1.00 1.33 H new ATOM 0 HG22 ILE B 51 140.757 -1.740 5.257 1.00 1.33 H new ATOM 0 HG23 ILE B 51 141.305 -0.094 4.862 1.00 1.33 H new ATOM 0 HD11 ILE B 51 138.289 2.217 3.844 1.00 0.74 H new ATOM 0 HD12 ILE B 51 137.728 0.646 4.466 1.00 0.74 H new ATOM 0 HD13 ILE B 51 139.262 1.337 5.047 1.00 0.74 H new ATOM 2263 N GLN B 52 140.426 -3.849 2.615 1.00 0.69 N ATOM 2264 CA GLN B 52 140.779 -5.251 2.988 1.00 0.73 C ATOM 2265 C GLN B 52 141.640 -5.895 1.896 1.00 0.67 C ATOM 2266 O GLN B 52 142.790 -6.220 2.111 1.00 0.74 O ATOM 2267 CB GLN B 52 139.439 -5.977 3.113 1.00 0.83 C ATOM 2268 CG GLN B 52 138.898 -5.812 4.534 1.00 1.34 C ATOM 2269 CD GLN B 52 139.601 -6.798 5.469 1.00 1.77 C ATOM 2270 OE1 GLN B 52 140.192 -7.761 5.022 1.00 2.49 O ATOM 2271 NE2 GLN B 52 139.562 -6.599 6.758 1.00 1.98 N ATOM 0 H GLN B 52 139.552 -3.742 2.100 1.00 0.69 H new ATOM 0 HA GLN B 52 141.357 -5.297 3.911 1.00 0.73 H new ATOM 0 HB2 GLN B 52 138.727 -5.574 2.393 1.00 0.83 H new ATOM 0 HB3 GLN B 52 139.564 -7.035 2.881 1.00 0.83 H new ATOM 0 HG2 GLN B 52 139.059 -4.791 4.879 1.00 1.34 H new ATOM 0 HG3 GLN B 52 137.822 -5.987 4.547 1.00 1.34 H new ATOM 0 HE21 GLN B 52 139.066 -5.791 7.135 1.00 1.98 H new ATOM 0 HE22 GLN B 52 140.027 -7.251 7.389 1.00 1.98 H new ATOM 2280 N TYR B 53 141.089 -6.080 0.726 1.00 0.62 N ATOM 2281 CA TYR B 53 141.871 -6.703 -0.384 1.00 0.65 C ATOM 2282 C TYR B 53 143.303 -6.149 -0.399 1.00 0.62 C ATOM 2283 O TYR B 53 144.242 -6.844 -0.731 1.00 0.75 O ATOM 2284 CB TYR B 53 141.096 -6.322 -1.659 1.00 0.69 C ATOM 2285 CG TYR B 53 142.044 -6.021 -2.802 1.00 0.75 C ATOM 2286 CD1 TYR B 53 142.906 -7.014 -3.282 1.00 1.42 C ATOM 2287 CD2 TYR B 53 142.053 -4.746 -3.381 1.00 1.43 C ATOM 2288 CE1 TYR B 53 143.781 -6.730 -4.338 1.00 1.48 C ATOM 2289 CE2 TYR B 53 142.929 -4.462 -4.435 1.00 1.48 C ATOM 2290 CZ TYR B 53 143.791 -5.454 -4.916 1.00 0.93 C ATOM 2291 OH TYR B 53 144.654 -5.174 -5.956 1.00 1.04 O ATOM 0 H TYR B 53 140.130 -5.826 0.490 1.00 0.62 H new ATOM 0 HA TYR B 53 141.970 -7.784 -0.284 1.00 0.65 H new ATOM 0 HB2 TYR B 53 140.429 -7.137 -1.940 1.00 0.69 H new ATOM 0 HB3 TYR B 53 140.470 -5.451 -1.462 1.00 0.69 H new ATOM 0 HD1 TYR B 53 142.896 -7.999 -2.838 1.00 1.42 H new ATOM 0 HD2 TYR B 53 141.384 -3.982 -3.014 1.00 1.43 H new ATOM 0 HE1 TYR B 53 144.448 -7.495 -4.707 1.00 1.48 H new ATOM 0 HE2 TYR B 53 142.940 -3.477 -4.877 1.00 1.48 H new ATOM 0 HH TYR B 53 144.532 -4.244 -6.241 1.00 1.04 H new ATOM 2301 N MET B 54 143.475 -4.905 -0.047 1.00 0.54 N ATOM 2302 CA MET B 54 144.845 -4.316 -0.048 1.00 0.57 C ATOM 2303 C MET B 54 145.593 -4.698 1.234 1.00 0.52 C ATOM 2304 O MET B 54 146.691 -5.217 1.189 1.00 0.51 O ATOM 2305 CB MET B 54 144.626 -2.805 -0.118 1.00 0.70 C ATOM 2306 CG MET B 54 144.209 -2.415 -1.538 1.00 0.94 C ATOM 2307 SD MET B 54 145.648 -1.796 -2.446 1.00 0.96 S ATOM 2308 CE MET B 54 144.782 -1.369 -3.977 1.00 0.77 C ATOM 0 H MET B 54 142.729 -4.272 0.241 1.00 0.54 H new ATOM 0 HA MET B 54 145.449 -4.678 -0.880 1.00 0.57 H new ATOM 0 HB2 MET B 54 143.857 -2.505 0.594 1.00 0.70 H new ATOM 0 HB3 MET B 54 145.540 -2.281 0.161 1.00 0.70 H new ATOM 0 HG2 MET B 54 143.785 -3.277 -2.053 1.00 0.94 H new ATOM 0 HG3 MET B 54 143.432 -1.651 -1.503 1.00 0.94 H new ATOM 0 HE1 MET B 54 145.485 -1.389 -4.810 1.00 0.77 H new ATOM 0 HE2 MET B 54 143.985 -2.090 -4.157 1.00 0.77 H new ATOM 0 HE3 MET B 54 144.355 -0.370 -3.887 1.00 0.77 H new ATOM 2318 N ARG B 55 145.011 -4.448 2.376 1.00 0.57 N ATOM 2319 CA ARG B 55 145.699 -4.801 3.652 1.00 0.58 C ATOM 2320 C ARG B 55 146.209 -6.244 3.594 1.00 0.56 C ATOM 2321 O ARG B 55 147.333 -6.530 3.955 1.00 0.58 O ATOM 2322 CB ARG B 55 144.632 -4.652 4.738 1.00 0.69 C ATOM 2323 CG ARG B 55 145.306 -4.357 6.079 1.00 0.77 C ATOM 2324 CD ARG B 55 145.711 -5.673 6.746 1.00 1.42 C ATOM 2325 NE ARG B 55 144.769 -5.831 7.889 1.00 1.43 N ATOM 2326 CZ ARG B 55 143.792 -6.692 7.813 1.00 1.84 C ATOM 2327 NH1 ARG B 55 142.696 -6.381 7.174 1.00 2.53 N ATOM 2328 NH2 ARG B 55 143.909 -7.862 8.377 1.00 2.35 N ATOM 0 H ARG B 55 144.093 -4.016 2.481 1.00 0.57 H new ATOM 0 HA ARG B 55 146.563 -4.165 3.844 1.00 0.58 H new ATOM 0 HB2 ARG B 55 143.945 -3.846 4.479 1.00 0.69 H new ATOM 0 HB3 ARG B 55 144.041 -5.565 4.809 1.00 0.69 H new ATOM 0 HG2 ARG B 55 146.184 -3.729 5.927 1.00 0.77 H new ATOM 0 HG3 ARG B 55 144.626 -3.803 6.726 1.00 0.77 H new ATOM 0 HD2 ARG B 55 145.632 -6.509 6.051 1.00 1.42 H new ATOM 0 HD3 ARG B 55 146.745 -5.640 7.088 1.00 1.42 H new ATOM 0 HE ARG B 55 144.888 -5.267 8.730 1.00 1.43 H new ATOM 0 HH11 ARG B 55 142.604 -5.465 6.735 1.00 2.53 H new ATOM 0 HH12 ARG B 55 141.932 -7.054 7.114 1.00 2.53 H new ATOM 0 HH21 ARG B 55 144.764 -8.104 8.877 1.00 2.35 H new ATOM 0 HH22 ARG B 55 143.145 -8.535 8.318 1.00 2.35 H new ATOM 2342 N ARG B 56 145.390 -7.154 3.142 1.00 0.57 N ATOM 2343 CA ARG B 56 145.829 -8.577 3.060 1.00 0.59 C ATOM 2344 C ARG B 56 146.887 -8.739 1.965 1.00 0.53 C ATOM 2345 O ARG B 56 147.864 -9.440 2.133 1.00 0.58 O ATOM 2346 CB ARG B 56 144.564 -9.362 2.706 1.00 0.67 C ATOM 2347 CG ARG B 56 144.908 -10.845 2.561 1.00 1.04 C ATOM 2348 CD ARG B 56 143.718 -11.589 1.952 1.00 1.63 C ATOM 2349 NE ARG B 56 144.094 -11.818 0.530 1.00 2.02 N ATOM 2350 CZ ARG B 56 143.321 -12.532 -0.241 1.00 2.50 C ATOM 2351 NH1 ARG B 56 142.785 -13.632 0.212 1.00 2.99 N ATOM 2352 NH2 ARG B 56 143.091 -12.150 -1.467 1.00 3.10 N ATOM 0 H ARG B 56 144.437 -6.974 2.826 1.00 0.57 H new ATOM 0 HA ARG B 56 146.278 -8.927 3.990 1.00 0.59 H new ATOM 0 HB2 ARG B 56 143.810 -9.227 3.482 1.00 0.67 H new ATOM 0 HB3 ARG B 56 144.137 -8.984 1.777 1.00 0.67 H new ATOM 0 HG2 ARG B 56 145.787 -10.965 1.928 1.00 1.04 H new ATOM 0 HG3 ARG B 56 145.155 -11.268 3.534 1.00 1.04 H new ATOM 0 HD2 ARG B 56 143.535 -12.531 2.469 1.00 1.63 H new ATOM 0 HD3 ARG B 56 142.804 -11.001 2.029 1.00 1.63 H new ATOM 0 HE ARG B 56 144.955 -11.417 0.159 1.00 2.02 H new ATOM 0 HH11 ARG B 56 142.970 -13.933 1.169 1.00 2.99 H new ATOM 0 HH12 ARG B 56 142.181 -14.191 -0.391 1.00 2.99 H new ATOM 0 HH21 ARG B 56 143.516 -11.293 -1.822 1.00 3.10 H new ATOM 0 HH22 ARG B 56 142.487 -12.708 -2.070 1.00 3.10 H new ATOM 2366 N LYS B 57 146.701 -8.094 0.847 1.00 0.51 N ATOM 2367 CA LYS B 57 147.699 -8.210 -0.255 1.00 0.53 C ATOM 2368 C LYS B 57 149.057 -7.678 0.208 1.00 0.50 C ATOM 2369 O LYS B 57 150.054 -8.371 0.164 1.00 0.54 O ATOM 2370 CB LYS B 57 147.143 -7.348 -1.388 1.00 0.60 C ATOM 2371 CG LYS B 57 146.539 -8.249 -2.466 1.00 0.93 C ATOM 2372 CD LYS B 57 147.133 -7.885 -3.827 1.00 0.84 C ATOM 2373 CE LYS B 57 147.966 -9.057 -4.352 1.00 1.28 C ATOM 2374 NZ LYS B 57 147.103 -9.718 -5.370 1.00 1.52 N ATOM 0 H LYS B 57 145.902 -7.492 0.648 1.00 0.51 H new ATOM 0 HA LYS B 57 147.851 -9.243 -0.568 1.00 0.53 H new ATOM 0 HB2 LYS B 57 146.385 -6.666 -1.002 1.00 0.60 H new ATOM 0 HB3 LYS B 57 147.936 -6.734 -1.815 1.00 0.60 H new ATOM 0 HG2 LYS B 57 146.742 -9.295 -2.237 1.00 0.93 H new ATOM 0 HG3 LYS B 57 145.455 -8.132 -2.487 1.00 0.93 H new ATOM 0 HD2 LYS B 57 146.336 -7.648 -4.532 1.00 0.84 H new ATOM 0 HD3 LYS B 57 147.755 -6.994 -3.737 1.00 0.84 H new ATOM 0 HE2 LYS B 57 148.901 -8.711 -4.792 1.00 1.28 H new ATOM 0 HE3 LYS B 57 148.228 -9.746 -3.549 1.00 1.28 H new ATOM 0 HZ1 LYS B 57 147.606 -10.533 -5.776 1.00 1.52 H new ATOM 0 HZ2 LYS B 57 146.223 -10.043 -4.921 1.00 1.52 H new ATOM 0 HZ3 LYS B 57 146.876 -9.040 -6.125 1.00 1.52 H new ATOM 2388 N VAL B 58 149.103 -6.451 0.654 1.00 0.52 N ATOM 2389 CA VAL B 58 150.397 -5.876 1.122 1.00 0.60 C ATOM 2390 C VAL B 58 151.021 -6.780 2.188 1.00 0.61 C ATOM 2391 O VAL B 58 152.226 -6.888 2.297 1.00 0.74 O ATOM 2392 CB VAL B 58 150.035 -4.515 1.716 1.00 0.71 C ATOM 2393 CG1 VAL B 58 151.306 -3.813 2.197 1.00 0.86 C ATOM 2394 CG2 VAL B 58 149.354 -3.659 0.646 1.00 0.76 C ATOM 0 H VAL B 58 148.302 -5.823 0.714 1.00 0.52 H new ATOM 0 HA VAL B 58 151.125 -5.786 0.316 1.00 0.60 H new ATOM 0 HB VAL B 58 149.357 -4.654 2.558 1.00 0.71 H new ATOM 0 HG11 VAL B 58 151.048 -2.842 2.621 1.00 0.86 H new ATOM 0 HG12 VAL B 58 151.793 -4.423 2.958 1.00 0.86 H new ATOM 0 HG13 VAL B 58 151.985 -3.673 1.356 1.00 0.86 H new ATOM 0 HG21 VAL B 58 149.095 -2.688 1.068 1.00 0.76 H new ATOM 0 HG22 VAL B 58 150.033 -3.520 -0.195 1.00 0.76 H new ATOM 0 HG23 VAL B 58 148.448 -4.159 0.302 1.00 0.76 H new ATOM 2404 N HIS B 59 150.209 -7.431 2.975 1.00 0.57 N ATOM 2405 CA HIS B 59 150.756 -8.330 4.031 1.00 0.67 C ATOM 2406 C HIS B 59 151.537 -9.480 3.389 1.00 0.63 C ATOM 2407 O HIS B 59 152.742 -9.570 3.515 1.00 0.71 O ATOM 2408 CB HIS B 59 149.530 -8.862 4.773 1.00 0.75 C ATOM 2409 CG HIS B 59 149.971 -9.778 5.881 1.00 0.96 C ATOM 2410 ND1 HIS B 59 151.168 -9.598 6.556 1.00 1.53 N ATOM 2411 CD2 HIS B 59 149.387 -10.885 6.443 1.00 1.68 C ATOM 2412 CE1 HIS B 59 151.265 -10.573 7.478 1.00 1.83 C ATOM 2413 NE2 HIS B 59 150.205 -11.386 7.452 1.00 1.96 N ATOM 0 H HIS B 59 149.191 -7.380 2.933 1.00 0.57 H new ATOM 0 HA HIS B 59 151.443 -7.813 4.701 1.00 0.67 H new ATOM 0 HB2 HIS B 59 148.951 -8.033 5.181 1.00 0.75 H new ATOM 0 HB3 HIS B 59 148.878 -9.397 4.083 1.00 0.75 H new ATOM 0 HD2 HIS B 59 148.437 -11.304 6.147 1.00 1.68 H new ATOM 0 HE1 HIS B 59 152.098 -10.685 8.156 1.00 1.83 H new ATOM 0 HE2 HIS B 59 150.032 -12.199 8.044 1.00 1.96 H new ATOM 2421 N THR B 60 150.861 -10.357 2.698 1.00 0.59 N ATOM 2422 CA THR B 60 151.568 -11.496 2.047 1.00 0.64 C ATOM 2423 C THR B 60 152.545 -10.971 0.993 1.00 0.59 C ATOM 2424 O THR B 60 153.541 -11.596 0.688 1.00 0.67 O ATOM 2425 CB THR B 60 150.466 -12.327 1.390 1.00 0.69 C ATOM 2426 OG1 THR B 60 149.526 -12.727 2.377 1.00 0.74 O ATOM 2427 CG2 THR B 60 151.079 -13.566 0.734 1.00 0.84 C ATOM 0 H THR B 60 149.851 -10.334 2.556 1.00 0.59 H new ATOM 0 HA THR B 60 152.149 -12.084 2.758 1.00 0.64 H new ATOM 0 HB THR B 60 149.964 -11.729 0.630 1.00 0.69 H new ATOM 0 HG1 THR B 60 148.818 -13.259 1.958 1.00 0.74 H new ATOM 0 HG21 THR B 60 150.292 -14.157 0.266 1.00 0.84 H new ATOM 0 HG22 THR B 60 151.800 -13.258 -0.023 1.00 0.84 H new ATOM 0 HG23 THR B 60 151.583 -14.167 1.491 1.00 0.84 H new ATOM 2435 N LEU B 61 152.269 -9.824 0.436 1.00 0.52 N ATOM 2436 CA LEU B 61 153.184 -9.258 -0.595 1.00 0.55 C ATOM 2437 C LEU B 61 154.500 -8.828 0.055 1.00 0.52 C ATOM 2438 O LEU B 61 155.522 -9.459 -0.122 1.00 0.51 O ATOM 2439 CB LEU B 61 152.446 -8.044 -1.161 1.00 0.60 C ATOM 2440 CG LEU B 61 151.454 -8.504 -2.231 1.00 0.73 C ATOM 2441 CD1 LEU B 61 150.628 -7.309 -2.712 1.00 1.05 C ATOM 2442 CD2 LEU B 61 152.221 -9.103 -3.412 1.00 1.06 C ATOM 0 H LEU B 61 151.450 -9.255 0.650 1.00 0.52 H new ATOM 0 HA LEU B 61 153.430 -9.982 -1.372 1.00 0.55 H new ATOM 0 HB2 LEU B 61 151.920 -7.520 -0.363 1.00 0.60 H new ATOM 0 HB3 LEU B 61 153.158 -7.339 -1.589 1.00 0.60 H new ATOM 0 HG LEU B 61 150.789 -9.257 -1.809 1.00 0.73 H new ATOM 0 HD11 LEU B 61 149.922 -7.638 -3.474 1.00 1.05 H new ATOM 0 HD12 LEU B 61 150.082 -6.882 -1.871 1.00 1.05 H new ATOM 0 HD13 LEU B 61 151.292 -6.554 -3.134 1.00 1.05 H new ATOM 0 HD21 LEU B 61 151.515 -9.431 -4.175 1.00 1.06 H new ATOM 0 HD22 LEU B 61 152.887 -8.350 -3.833 1.00 1.06 H new ATOM 0 HD23 LEU B 61 152.808 -9.955 -3.070 1.00 1.06 H new ATOM 2454 N GLN B 62 154.478 -7.759 0.809 1.00 0.53 N ATOM 2455 CA GLN B 62 155.726 -7.284 1.476 1.00 0.56 C ATOM 2456 C GLN B 62 156.522 -8.475 2.011 1.00 0.56 C ATOM 2457 O GLN B 62 157.703 -8.609 1.757 1.00 0.56 O ATOM 2458 CB GLN B 62 155.248 -6.398 2.627 1.00 0.62 C ATOM 2459 CG GLN B 62 156.458 -5.814 3.360 1.00 0.69 C ATOM 2460 CD GLN B 62 156.271 -4.306 3.536 1.00 1.06 C ATOM 2461 OE1 GLN B 62 157.172 -3.535 3.270 1.00 1.52 O ATOM 2462 NE2 GLN B 62 155.131 -3.850 3.978 1.00 1.26 N ATOM 0 H GLN B 62 153.648 -7.194 0.991 1.00 0.53 H new ATOM 0 HA GLN B 62 156.381 -6.744 0.792 1.00 0.56 H new ATOM 0 HB2 GLN B 62 154.619 -5.594 2.244 1.00 0.62 H new ATOM 0 HB3 GLN B 62 154.637 -6.979 3.318 1.00 0.62 H new ATOM 0 HG2 GLN B 62 156.573 -6.293 4.333 1.00 0.69 H new ATOM 0 HG3 GLN B 62 157.369 -6.015 2.796 1.00 0.69 H new ATOM 0 HE21 GLN B 62 154.375 -4.497 4.201 1.00 1.26 H new ATOM 0 HE22 GLN B 62 154.996 -2.846 4.100 1.00 1.26 H new ATOM 2471 N GLN B 63 155.883 -9.345 2.743 1.00 0.57 N ATOM 2472 CA GLN B 63 156.605 -10.530 3.284 1.00 0.61 C ATOM 2473 C GLN B 63 157.344 -11.247 2.152 1.00 0.57 C ATOM 2474 O GLN B 63 158.401 -11.815 2.347 1.00 0.58 O ATOM 2475 CB GLN B 63 155.512 -11.427 3.865 1.00 0.65 C ATOM 2476 CG GLN B 63 155.766 -11.645 5.358 1.00 0.79 C ATOM 2477 CD GLN B 63 155.889 -10.290 6.057 1.00 1.08 C ATOM 2478 OE1 GLN B 63 155.188 -9.280 5.622 1.00 1.50 O flip ATOM 2479 NE2 GLN B 63 156.631 -10.150 7.010 1.00 1.50 N flip ATOM 0 H GLN B 63 154.895 -9.287 2.989 1.00 0.57 H new ATOM 0 HA GLN B 63 157.349 -10.261 4.034 1.00 0.61 H new ATOM 0 HB2 GLN B 63 154.534 -10.969 3.715 1.00 0.65 H new ATOM 0 HB3 GLN B 63 155.499 -12.385 3.345 1.00 0.65 H new ATOM 0 HG2 GLN B 63 154.950 -12.220 5.797 1.00 0.79 H new ATOM 0 HG3 GLN B 63 156.678 -12.225 5.502 1.00 0.79 H new ATOM 0 HE21 GLN B 63 157.179 -10.940 7.350 1.00 1.50 H new ATOM 0 HE22 GLN B 63 156.705 -9.242 7.469 1.00 1.50 H new ATOM 2488 N ASP B 64 156.797 -11.220 0.966 1.00 0.55 N ATOM 2489 CA ASP B 64 157.470 -11.895 -0.179 1.00 0.54 C ATOM 2490 C ASP B 64 158.545 -10.978 -0.766 1.00 0.52 C ATOM 2491 O ASP B 64 159.467 -11.424 -1.418 1.00 0.52 O ATOM 2492 CB ASP B 64 156.361 -12.149 -1.201 1.00 0.53 C ATOM 2493 CG ASP B 64 155.660 -13.469 -0.876 1.00 0.67 C ATOM 2494 OD1 ASP B 64 155.407 -13.711 0.293 1.00 1.22 O ATOM 2495 OD2 ASP B 64 155.389 -14.217 -1.801 1.00 1.39 O ATOM 0 H ASP B 64 155.915 -10.760 0.742 1.00 0.55 H new ATOM 0 HA ASP B 64 157.965 -12.820 0.117 1.00 0.54 H new ATOM 0 HB2 ASP B 64 155.642 -11.330 -1.185 1.00 0.53 H new ATOM 0 HB3 ASP B 64 156.780 -12.185 -2.207 1.00 0.53 H new ATOM 2500 N ILE B 65 158.439 -9.698 -0.530 1.00 0.52 N ATOM 2501 CA ILE B 65 159.464 -8.758 -1.067 1.00 0.53 C ATOM 2502 C ILE B 65 160.728 -8.854 -0.214 1.00 0.54 C ATOM 2503 O ILE B 65 161.835 -8.818 -0.715 1.00 0.57 O ATOM 2504 CB ILE B 65 158.851 -7.356 -0.966 1.00 0.56 C ATOM 2505 CG1 ILE B 65 157.360 -7.407 -1.318 1.00 0.55 C ATOM 2506 CG2 ILE B 65 159.563 -6.423 -1.947 1.00 0.60 C ATOM 2507 CD1 ILE B 65 156.828 -5.982 -1.517 1.00 0.64 C ATOM 0 H ILE B 65 157.690 -9.264 0.009 1.00 0.52 H new ATOM 0 HA ILE B 65 159.736 -8.989 -2.097 1.00 0.53 H new ATOM 0 HB ILE B 65 158.968 -6.989 0.054 1.00 0.56 H new ATOM 0 HG12 ILE B 65 157.210 -7.992 -2.226 1.00 0.55 H new ATOM 0 HG13 ILE B 65 156.805 -7.905 -0.523 1.00 0.55 H new ATOM 0 HG21 ILE B 65 159.131 -5.425 -1.879 1.00 0.60 H new ATOM 0 HG22 ILE B 65 160.624 -6.377 -1.700 1.00 0.60 H new ATOM 0 HG23 ILE B 65 159.443 -6.802 -2.962 1.00 0.60 H new ATOM 0 HD11 ILE B 65 155.768 -6.021 -1.767 1.00 0.64 H new ATOM 0 HD12 ILE B 65 156.963 -5.412 -0.598 1.00 0.64 H new ATOM 0 HD13 ILE B 65 157.374 -5.499 -2.327 1.00 0.64 H new ATOM 2519 N ASP B 66 160.569 -8.992 1.074 1.00 0.57 N ATOM 2520 CA ASP B 66 161.758 -9.110 1.961 1.00 0.59 C ATOM 2521 C ASP B 66 162.417 -10.472 1.743 1.00 0.58 C ATOM 2522 O ASP B 66 163.624 -10.583 1.649 1.00 0.58 O ATOM 2523 CB ASP B 66 161.209 -8.997 3.383 1.00 0.68 C ATOM 2524 CG ASP B 66 161.784 -7.747 4.053 1.00 0.89 C ATOM 2525 OD1 ASP B 66 161.250 -6.676 3.820 1.00 1.77 O ATOM 2526 OD2 ASP B 66 162.748 -7.884 4.788 1.00 1.32 O ATOM 0 H ASP B 66 159.667 -9.028 1.549 1.00 0.57 H new ATOM 0 HA ASP B 66 162.510 -8.347 1.763 1.00 0.59 H new ATOM 0 HB2 ASP B 66 160.121 -8.943 3.361 1.00 0.68 H new ATOM 0 HB3 ASP B 66 161.473 -9.885 3.958 1.00 0.68 H new ATOM 2531 N ASP B 67 161.629 -11.510 1.648 1.00 0.61 N ATOM 2532 CA ASP B 67 162.207 -12.865 1.420 1.00 0.63 C ATOM 2533 C ASP B 67 163.054 -12.850 0.147 1.00 0.58 C ATOM 2534 O ASP B 67 164.147 -13.379 0.108 1.00 0.66 O ATOM 2535 CB ASP B 67 161.001 -13.790 1.254 1.00 0.71 C ATOM 2536 CG ASP B 67 161.369 -15.198 1.725 1.00 1.20 C ATOM 2537 OD1 ASP B 67 162.395 -15.336 2.369 1.00 1.65 O ATOM 2538 OD2 ASP B 67 160.618 -16.115 1.434 1.00 1.88 O ATOM 0 H ASP B 67 160.612 -11.478 1.718 1.00 0.61 H new ATOM 0 HA ASP B 67 162.852 -13.190 2.236 1.00 0.63 H new ATOM 0 HB2 ASP B 67 160.157 -13.411 1.830 1.00 0.71 H new ATOM 0 HB3 ASP B 67 160.689 -13.814 0.210 1.00 0.71 H new ATOM 2543 N LEU B 68 162.560 -12.236 -0.894 1.00 0.53 N ATOM 2544 CA LEU B 68 163.339 -12.174 -2.162 1.00 0.53 C ATOM 2545 C LEU B 68 164.560 -11.271 -1.971 1.00 0.55 C ATOM 2546 O LEU B 68 165.670 -11.629 -2.311 1.00 0.58 O ATOM 2547 CB LEU B 68 162.381 -11.572 -3.191 1.00 0.52 C ATOM 2548 CG LEU B 68 161.163 -12.484 -3.351 1.00 0.70 C ATOM 2549 CD1 LEU B 68 160.075 -11.753 -4.139 1.00 0.57 C ATOM 2550 CD2 LEU B 68 161.572 -13.749 -4.107 1.00 1.07 C ATOM 0 H LEU B 68 161.651 -11.775 -0.920 1.00 0.53 H new ATOM 0 HA LEU B 68 163.704 -13.152 -2.477 1.00 0.53 H new ATOM 0 HB2 LEU B 68 162.065 -10.579 -2.872 1.00 0.52 H new ATOM 0 HB3 LEU B 68 162.887 -11.453 -4.149 1.00 0.52 H new ATOM 0 HG LEU B 68 160.780 -12.753 -2.367 1.00 0.70 H new ATOM 0 HD11 LEU B 68 159.208 -12.404 -4.252 1.00 0.57 H new ATOM 0 HD12 LEU B 68 159.783 -10.849 -3.604 1.00 0.57 H new ATOM 0 HD13 LEU B 68 160.457 -11.484 -5.124 1.00 0.57 H new ATOM 0 HD21 LEU B 68 160.706 -14.400 -4.222 1.00 1.07 H new ATOM 0 HD22 LEU B 68 161.955 -13.477 -5.091 1.00 1.07 H new ATOM 0 HD23 LEU B 68 162.348 -14.272 -3.548 1.00 1.07 H new ATOM 2562 N LYS B 69 164.365 -10.104 -1.418 1.00 0.57 N ATOM 2563 CA LYS B 69 165.517 -9.186 -1.196 1.00 0.61 C ATOM 2564 C LYS B 69 166.659 -9.949 -0.521 1.00 0.64 C ATOM 2565 O LYS B 69 167.794 -9.910 -0.958 1.00 0.71 O ATOM 2566 CB LYS B 69 164.979 -8.093 -0.271 1.00 0.67 C ATOM 2567 CG LYS B 69 165.763 -6.797 -0.494 1.00 1.43 C ATOM 2568 CD LYS B 69 165.359 -5.769 0.565 1.00 1.64 C ATOM 2569 CE LYS B 69 163.874 -5.431 0.413 1.00 2.17 C ATOM 2570 NZ LYS B 69 163.794 -3.957 0.606 1.00 2.25 N ATOM 0 H LYS B 69 163.460 -9.748 -1.111 1.00 0.57 H new ATOM 0 HA LYS B 69 165.909 -8.772 -2.125 1.00 0.61 H new ATOM 0 HB2 LYS B 69 163.920 -7.927 -0.466 1.00 0.67 H new ATOM 0 HB3 LYS B 69 165.066 -8.408 0.769 1.00 0.67 H new ATOM 0 HG2 LYS B 69 166.834 -6.993 -0.437 1.00 1.43 H new ATOM 0 HG3 LYS B 69 165.563 -6.405 -1.491 1.00 1.43 H new ATOM 0 HD2 LYS B 69 165.552 -6.164 1.562 1.00 1.64 H new ATOM 0 HD3 LYS B 69 165.960 -4.866 0.458 1.00 1.64 H new ATOM 0 HE2 LYS B 69 163.501 -5.721 -0.569 1.00 2.17 H new ATOM 0 HE3 LYS B 69 163.271 -5.959 1.152 1.00 2.17 H new ATOM 0 HZ1 LYS B 69 162.805 -3.648 0.516 1.00 2.25 H new ATOM 0 HZ2 LYS B 69 164.149 -3.711 1.552 1.00 2.25 H new ATOM 0 HZ3 LYS B 69 164.372 -3.481 -0.115 1.00 2.25 H new ATOM 2584 N ARG B 70 166.364 -10.652 0.537 1.00 0.64 N ATOM 2585 CA ARG B 70 167.425 -11.427 1.237 1.00 0.70 C ATOM 2586 C ARG B 70 168.053 -12.436 0.272 1.00 0.67 C ATOM 2587 O ARG B 70 169.257 -12.556 0.178 1.00 0.71 O ATOM 2588 CB ARG B 70 166.702 -12.152 2.372 1.00 0.78 C ATOM 2589 CG ARG B 70 167.241 -11.664 3.718 1.00 1.17 C ATOM 2590 CD ARG B 70 167.463 -12.863 4.644 1.00 1.29 C ATOM 2591 NE ARG B 70 166.518 -12.654 5.776 1.00 1.57 N ATOM 2592 CZ ARG B 70 166.744 -13.225 6.928 1.00 2.02 C ATOM 2593 NH1 ARG B 70 167.520 -12.645 7.803 1.00 2.36 N ATOM 2594 NH2 ARG B 70 166.193 -14.375 7.205 1.00 2.75 N ATOM 0 H ARG B 70 165.433 -10.723 0.947 1.00 0.64 H new ATOM 0 HA ARG B 70 168.229 -10.792 1.608 1.00 0.70 H new ATOM 0 HB2 ARG B 70 165.629 -11.968 2.310 1.00 0.78 H new ATOM 0 HB3 ARG B 70 166.846 -13.228 2.280 1.00 0.78 H new ATOM 0 HG2 ARG B 70 168.177 -11.125 3.573 1.00 1.17 H new ATOM 0 HG3 ARG B 70 166.538 -10.966 4.172 1.00 1.17 H new ATOM 0 HD2 ARG B 70 167.261 -13.802 4.129 1.00 1.29 H new ATOM 0 HD3 ARG B 70 168.495 -12.906 4.994 1.00 1.29 H new ATOM 0 HE ARG B 70 165.695 -12.065 5.651 1.00 1.57 H new ATOM 0 HH11 ARG B 70 167.950 -11.746 7.587 1.00 2.36 H new ATOM 0 HH12 ARG B 70 167.697 -13.091 8.703 1.00 2.36 H new ATOM 0 HH21 ARG B 70 165.586 -14.827 6.522 1.00 2.75 H new ATOM 0 HH22 ARG B 70 166.369 -14.821 8.105 1.00 2.75 H new ATOM 2608 N GLN B 71 167.241 -13.163 -0.445 1.00 0.65 N ATOM 2609 CA GLN B 71 167.783 -14.168 -1.404 1.00 0.68 C ATOM 2610 C GLN B 71 168.900 -13.556 -2.255 1.00 0.58 C ATOM 2611 O GLN B 71 170.067 -13.739 -1.978 1.00 0.58 O ATOM 2612 CB GLN B 71 166.592 -14.561 -2.279 1.00 0.73 C ATOM 2613 CG GLN B 71 165.665 -15.490 -1.492 1.00 1.13 C ATOM 2614 CD GLN B 71 164.434 -15.822 -2.338 1.00 1.30 C ATOM 2615 OE1 GLN B 71 164.504 -15.847 -3.551 1.00 2.00 O ATOM 2616 NE2 GLN B 71 163.300 -16.080 -1.746 1.00 1.72 N ATOM 0 H GLN B 71 166.223 -13.105 -0.408 1.00 0.65 H new ATOM 0 HA GLN B 71 168.218 -15.028 -0.894 1.00 0.68 H new ATOM 0 HB2 GLN B 71 166.049 -13.670 -2.594 1.00 0.73 H new ATOM 0 HB3 GLN B 71 166.941 -15.059 -3.184 1.00 0.73 H new ATOM 0 HG2 GLN B 71 166.193 -16.405 -1.224 1.00 1.13 H new ATOM 0 HG3 GLN B 71 165.361 -15.013 -0.560 1.00 1.13 H new ATOM 0 HE21 GLN B 71 163.240 -16.059 -0.728 1.00 1.72 H new ATOM 0 HE22 GLN B 71 162.474 -16.302 -2.301 1.00 1.72 H new ATOM 2625 N ASN B 72 168.549 -12.844 -3.294 1.00 0.54 N ATOM 2626 CA ASN B 72 169.580 -12.221 -4.180 1.00 0.50 C ATOM 2627 C ASN B 72 170.780 -11.732 -3.357 1.00 0.46 C ATOM 2628 O ASN B 72 171.895 -11.691 -3.838 1.00 0.46 O ATOM 2629 CB ASN B 72 168.839 -11.052 -4.850 1.00 0.52 C ATOM 2630 CG ASN B 72 169.765 -9.840 -5.028 1.00 0.50 C ATOM 2631 OD1 ASN B 72 170.656 -9.845 -5.981 1.00 0.70 O flip ATOM 2632 ND2 ASN B 72 169.674 -8.880 -4.289 1.00 0.67 N flip ATOM 0 H ASN B 72 167.583 -12.665 -3.570 1.00 0.54 H new ATOM 0 HA ASN B 72 169.990 -12.919 -4.910 1.00 0.50 H new ATOM 0 HB2 ASN B 72 168.458 -11.368 -5.821 1.00 0.52 H new ATOM 0 HB3 ASN B 72 167.977 -10.769 -4.246 1.00 0.52 H new ATOM 0 HD21 ASN B 72 168.978 -8.874 -3.543 1.00 0.67 H new ATOM 0 HD22 ASN B 72 170.294 -8.080 -4.414 1.00 0.67 H new ATOM 2639 N ALA B 73 170.564 -11.362 -2.125 1.00 0.50 N ATOM 2640 CA ALA B 73 171.702 -10.883 -1.294 1.00 0.54 C ATOM 2641 C ALA B 73 172.677 -12.035 -1.040 1.00 0.54 C ATOM 2642 O ALA B 73 173.878 -11.850 -0.991 1.00 0.57 O ATOM 2643 CB ALA B 73 171.069 -10.409 0.015 1.00 0.64 C ATOM 0 H ALA B 73 169.656 -11.371 -1.661 1.00 0.50 H new ATOM 0 HA ALA B 73 172.267 -10.086 -1.777 1.00 0.54 H new ATOM 0 HB1 ALA B 73 171.847 -10.040 0.683 1.00 0.64 H new ATOM 0 HB2 ALA B 73 170.359 -9.608 -0.193 1.00 0.64 H new ATOM 0 HB3 ALA B 73 170.548 -11.241 0.490 1.00 0.64 H new ATOM 2649 N LEU B 74 172.165 -13.226 -0.883 1.00 0.54 N ATOM 2650 CA LEU B 74 173.053 -14.397 -0.633 1.00 0.57 C ATOM 2651 C LEU B 74 173.554 -14.985 -1.957 1.00 0.52 C ATOM 2652 O LEU B 74 174.730 -15.243 -2.121 1.00 0.54 O ATOM 2653 CB LEU B 74 172.175 -15.409 0.104 1.00 0.60 C ATOM 2654 CG LEU B 74 171.987 -14.958 1.553 1.00 0.76 C ATOM 2655 CD1 LEU B 74 170.833 -13.958 1.629 1.00 1.30 C ATOM 2656 CD2 LEU B 74 171.667 -16.173 2.426 1.00 0.94 C ATOM 0 H LEU B 74 171.168 -13.439 -0.917 1.00 0.54 H new ATOM 0 HA LEU B 74 173.937 -14.124 -0.057 1.00 0.57 H new ATOM 0 HB2 LEU B 74 171.207 -15.495 -0.390 1.00 0.60 H new ATOM 0 HB3 LEU B 74 172.636 -16.396 0.076 1.00 0.60 H new ATOM 0 HG LEU B 74 172.902 -14.485 1.909 1.00 0.76 H new ATOM 0 HD11 LEU B 74 170.698 -13.636 2.662 1.00 1.30 H new ATOM 0 HD12 LEU B 74 171.059 -13.093 1.006 1.00 1.30 H new ATOM 0 HD13 LEU B 74 169.917 -14.431 1.274 1.00 1.30 H new ATOM 0 HD21 LEU B 74 171.533 -15.853 3.459 1.00 0.94 H new ATOM 0 HD22 LEU B 74 170.751 -16.646 2.070 1.00 0.94 H new ATOM 0 HD23 LEU B 74 172.489 -16.887 2.371 1.00 0.94 H new ATOM 2668 N LEU B 75 172.679 -15.198 -2.905 1.00 0.48 N ATOM 2669 CA LEU B 75 173.133 -15.766 -4.207 1.00 0.46 C ATOM 2670 C LEU B 75 174.134 -14.811 -4.862 1.00 0.45 C ATOM 2671 O LEU B 75 174.952 -15.210 -5.665 1.00 0.49 O ATOM 2672 CB LEU B 75 171.877 -15.886 -5.077 1.00 0.46 C ATOM 2673 CG LEU B 75 170.793 -16.685 -4.353 1.00 0.50 C ATOM 2674 CD1 LEU B 75 169.774 -15.722 -3.754 1.00 0.52 C ATOM 2675 CD2 LEU B 75 170.081 -17.595 -5.356 1.00 0.50 C ATOM 0 H LEU B 75 171.680 -15.005 -2.835 1.00 0.48 H new ATOM 0 HA LEU B 75 173.623 -16.731 -4.079 1.00 0.46 H new ATOM 0 HB2 LEU B 75 171.501 -14.892 -5.321 1.00 0.46 H new ATOM 0 HB3 LEU B 75 172.127 -16.373 -6.020 1.00 0.46 H new ATOM 0 HG LEU B 75 171.248 -17.284 -3.564 1.00 0.50 H new ATOM 0 HD11 LEU B 75 168.999 -16.288 -3.237 1.00 0.52 H new ATOM 0 HD12 LEU B 75 170.272 -15.059 -3.047 1.00 0.52 H new ATOM 0 HD13 LEU B 75 169.321 -15.130 -4.550 1.00 0.52 H new ATOM 0 HD21 LEU B 75 169.307 -18.166 -4.843 1.00 0.50 H new ATOM 0 HD22 LEU B 75 169.625 -16.988 -6.138 1.00 0.50 H new ATOM 0 HD23 LEU B 75 170.802 -18.280 -5.802 1.00 0.50 H new ATOM 2687 N GLU B 76 174.069 -13.550 -4.526 1.00 0.50 N ATOM 2688 CA GLU B 76 175.011 -12.562 -5.129 1.00 0.54 C ATOM 2689 C GLU B 76 176.364 -12.609 -4.415 1.00 0.57 C ATOM 2690 O GLU B 76 177.403 -12.683 -5.041 1.00 0.59 O ATOM 2691 CB GLU B 76 174.344 -11.202 -4.923 1.00 0.64 C ATOM 2692 CG GLU B 76 175.156 -10.120 -5.637 1.00 0.68 C ATOM 2693 CD GLU B 76 174.397 -9.652 -6.880 1.00 0.73 C ATOM 2694 OE1 GLU B 76 173.182 -9.562 -6.808 1.00 1.30 O ATOM 2695 OE2 GLU B 76 175.042 -9.392 -7.882 1.00 1.35 O ATOM 0 H GLU B 76 173.403 -13.161 -3.859 1.00 0.50 H new ATOM 0 HA GLU B 76 175.203 -12.768 -6.182 1.00 0.54 H new ATOM 0 HB2 GLU B 76 173.326 -11.222 -5.311 1.00 0.64 H new ATOM 0 HB3 GLU B 76 174.275 -10.977 -3.859 1.00 0.64 H new ATOM 0 HG2 GLU B 76 175.331 -9.279 -4.966 1.00 0.68 H new ATOM 0 HG3 GLU B 76 176.133 -10.511 -5.920 1.00 0.68 H new ATOM 2702 N GLN B 77 176.363 -12.569 -3.110 1.00 0.65 N ATOM 2703 CA GLN B 77 177.654 -12.614 -2.364 1.00 0.74 C ATOM 2704 C GLN B 77 178.318 -13.984 -2.537 1.00 0.69 C ATOM 2705 O GLN B 77 179.447 -14.196 -2.136 1.00 0.74 O ATOM 2706 CB GLN B 77 177.276 -12.380 -0.901 1.00 0.86 C ATOM 2707 CG GLN B 77 176.346 -13.499 -0.427 1.00 1.31 C ATOM 2708 CD GLN B 77 176.119 -13.370 1.082 1.00 1.40 C ATOM 2709 OE1 GLN B 77 176.150 -12.282 1.621 1.00 2.10 O ATOM 2710 NE2 GLN B 77 175.891 -14.443 1.790 1.00 1.83 N ATOM 0 H GLN B 77 175.527 -12.507 -2.529 1.00 0.65 H new ATOM 0 HA GLN B 77 178.365 -11.870 -2.724 1.00 0.74 H new ATOM 0 HB2 GLN B 77 178.173 -12.353 -0.283 1.00 0.86 H new ATOM 0 HB3 GLN B 77 176.784 -11.413 -0.792 1.00 0.86 H new ATOM 0 HG2 GLN B 77 175.394 -13.443 -0.955 1.00 1.31 H new ATOM 0 HG3 GLN B 77 176.782 -14.471 -0.658 1.00 1.31 H new ATOM 0 HE21 GLN B 77 175.865 -15.357 1.337 1.00 1.83 H new ATOM 0 HE22 GLN B 77 175.739 -14.368 2.796 1.00 1.83 H new ATOM 2719 N GLN B 78 177.636 -14.910 -3.155 1.00 0.61 N ATOM 2720 CA GLN B 78 178.232 -16.257 -3.372 1.00 0.61 C ATOM 2721 C GLN B 78 178.625 -16.365 -4.836 1.00 0.53 C ATOM 2722 O GLN B 78 179.691 -16.834 -5.184 1.00 0.56 O ATOM 2723 CB GLN B 78 177.119 -17.249 -3.030 1.00 0.65 C ATOM 2724 CG GLN B 78 177.525 -18.652 -3.485 1.00 0.73 C ATOM 2725 CD GLN B 78 178.496 -19.257 -2.470 1.00 1.14 C ATOM 2726 OE1 GLN B 78 178.081 -19.816 -1.474 1.00 1.98 O ATOM 2727 NE2 GLN B 78 179.780 -19.168 -2.682 1.00 1.54 N ATOM 0 H GLN B 78 176.691 -14.791 -3.519 1.00 0.61 H new ATOM 0 HA GLN B 78 179.118 -16.446 -2.766 1.00 0.61 H new ATOM 0 HB2 GLN B 78 176.931 -17.244 -1.956 1.00 0.65 H new ATOM 0 HB3 GLN B 78 176.191 -16.952 -3.518 1.00 0.65 H new ATOM 0 HG2 GLN B 78 176.642 -19.284 -3.581 1.00 0.73 H new ATOM 0 HG3 GLN B 78 177.993 -18.606 -4.469 1.00 0.73 H new ATOM 0 HE21 GLN B 78 180.127 -18.699 -3.518 1.00 1.54 H new ATOM 0 HE22 GLN B 78 180.437 -19.568 -2.012 1.00 1.54 H new ATOM 2736 N VAL B 79 177.767 -15.896 -5.690 1.00 0.46 N ATOM 2737 CA VAL B 79 178.059 -15.916 -7.141 1.00 0.48 C ATOM 2738 C VAL B 79 179.413 -15.238 -7.392 1.00 0.50 C ATOM 2739 O VAL B 79 180.218 -15.704 -8.172 1.00 0.59 O ATOM 2740 CB VAL B 79 176.891 -15.123 -7.748 1.00 0.56 C ATOM 2741 CG1 VAL B 79 177.383 -14.189 -8.850 1.00 0.77 C ATOM 2742 CG2 VAL B 79 175.869 -16.099 -8.334 1.00 0.50 C ATOM 0 H VAL B 79 176.864 -15.494 -5.439 1.00 0.46 H new ATOM 0 HA VAL B 79 178.136 -16.913 -7.574 1.00 0.48 H new ATOM 0 HB VAL B 79 176.432 -14.523 -6.962 1.00 0.56 H new ATOM 0 HG11 VAL B 79 176.538 -13.639 -9.264 1.00 0.77 H new ATOM 0 HG12 VAL B 79 178.106 -13.486 -8.436 1.00 0.77 H new ATOM 0 HG13 VAL B 79 177.857 -14.774 -9.638 1.00 0.77 H new ATOM 0 HG21 VAL B 79 175.039 -15.540 -8.766 1.00 0.50 H new ATOM 0 HG22 VAL B 79 176.343 -16.701 -9.109 1.00 0.50 H new ATOM 0 HG23 VAL B 79 175.496 -16.752 -7.545 1.00 0.50 H new