USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=20 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 53 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=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 X(o=0,f=-0.048) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -150:sc= -0.0231 USER MOD Single : A 42 GLN : amide:sc= -0.49 K(o=-0.49,f=-3.8!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 97:sc= -5.13! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 54 MET CE :methyl 162:sc= 0 (180deg=-0.0159) USER MOD Single : A 59 HIS : no HD1:sc=-0.00703 X(o=-0.007,f=0) USER MOD Single : A 60 THR OG1 : rot 10:sc= -1.4! USER MOD Single : A 62 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.36) USER MOD Single : A 63 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.0029) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.382 K(o=-0.38,f=-2.6!) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.39 F(o=-4.5!,f=-1.4) USER MOD Single : A 77 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.78) USER MOD Single : A 78 GLN : amide:sc=-0.00268 K(o=-0.0027,f=-1.9!) 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 X(o=0,f=-0.061) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -160:sc= 0 USER MOD Single : B 42 GLN : amide:sc= -0.461 K(o=-0.46,f=-3.6!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 105:sc= -3.56! USER MOD Single : B 50 TYR OH : rot 180:sc= 0 USER MOD Single : B 52 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : B 54 MET CE :methyl 160:sc= 0 (180deg=-0.0242) USER MOD Single : B 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 60 THR OG1 : rot 60:sc= -1.27 USER MOD Single : B 62 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.41) USER MOD Single : B 63 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.03) USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 71 GLN : amide:sc= -0.382 K(o=-0.38,f=-2.8!) USER MOD Single : B 72 ASN :FLIP amide:sc= -6.18! C(o=-9.8!,f=-6.2!) USER MOD Single : B 77 GLN : amide:sc= -0.216 K(o=-0.22,f=-0.85) USER MOD Single : B 78 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 313 N ILE A 19 124.057 4.234 3.329 1.00 1.72 N ATOM 314 CA ILE A 19 125.475 4.575 3.636 1.00 1.09 C ATOM 315 C ILE A 19 125.905 3.890 4.934 1.00 0.98 C ATOM 316 O ILE A 19 126.598 2.892 4.909 1.00 1.27 O ATOM 317 CB ILE A 19 125.489 6.096 3.786 1.00 0.98 C ATOM 318 CG1 ILE A 19 125.121 6.735 2.437 1.00 1.49 C ATOM 319 CG2 ILE A 19 126.886 6.553 4.211 1.00 1.01 C ATOM 320 CD1 ILE A 19 126.396 7.122 1.670 1.00 1.40 C ATOM 0 HA ILE A 19 126.166 4.242 2.862 1.00 1.09 H new ATOM 0 HB ILE A 19 124.767 6.401 4.544 1.00 0.98 H new ATOM 0 HG12 ILE A 19 124.529 6.037 1.845 1.00 1.49 H new ATOM 0 HG13 ILE A 19 124.504 7.618 2.601 1.00 1.49 H new ATOM 0 HG21 ILE A 19 126.897 7.638 4.318 1.00 1.01 H new ATOM 0 HG22 ILE A 19 127.146 6.091 5.164 1.00 1.01 H new ATOM 0 HG23 ILE A 19 127.612 6.256 3.454 1.00 1.01 H new ATOM 0 HD11 ILE A 19 126.124 7.574 0.716 1.00 1.40 H new ATOM 0 HD12 ILE A 19 126.972 7.836 2.258 1.00 1.40 H new ATOM 0 HD13 ILE A 19 126.998 6.231 1.491 1.00 1.40 H new ATOM 332 N LYS A 20 125.499 4.425 6.061 1.00 1.14 N ATOM 333 CA LYS A 20 125.869 3.818 7.383 1.00 1.56 C ATOM 334 C LYS A 20 126.072 2.304 7.257 1.00 1.34 C ATOM 335 O LYS A 20 126.989 1.742 7.822 1.00 1.27 O ATOM 336 CB LYS A 20 124.688 4.112 8.303 1.00 2.22 C ATOM 337 CG LYS A 20 124.842 5.515 8.891 1.00 2.75 C ATOM 338 CD LYS A 20 124.261 5.539 10.305 1.00 3.61 C ATOM 339 CE LYS A 20 122.734 5.483 10.225 1.00 4.17 C ATOM 340 NZ LYS A 20 122.268 6.756 10.843 1.00 4.71 N ATOM 0 H LYS A 20 124.922 5.264 6.124 1.00 1.14 H new ATOM 0 HA LYS A 20 126.804 4.229 7.762 1.00 1.56 H new ATOM 0 HB2 LYS A 20 123.753 4.039 7.748 1.00 2.22 H new ATOM 0 HB3 LYS A 20 124.643 3.373 9.103 1.00 2.22 H new ATOM 0 HG2 LYS A 20 125.894 5.799 8.913 1.00 2.75 H new ATOM 0 HG3 LYS A 20 124.329 6.243 8.263 1.00 2.75 H new ATOM 0 HD2 LYS A 20 124.638 4.693 10.880 1.00 3.61 H new ATOM 0 HD3 LYS A 20 124.577 6.444 10.825 1.00 3.61 H new ATOM 0 HE2 LYS A 20 122.396 5.399 9.192 1.00 4.17 H new ATOM 0 HE3 LYS A 20 122.342 4.618 10.760 1.00 4.17 H new ATOM 0 HZ1 LYS A 20 121.229 6.791 10.825 1.00 4.71 H new ATOM 0 HZ2 LYS A 20 122.599 6.805 11.828 1.00 4.71 H new ATOM 0 HZ3 LYS A 20 122.651 7.562 10.308 1.00 4.71 H new ATOM 354 N ASP A 21 125.239 1.636 6.507 1.00 1.44 N ATOM 355 CA ASP A 21 125.427 0.169 6.345 1.00 1.43 C ATOM 356 C ASP A 21 126.829 -0.074 5.786 1.00 1.20 C ATOM 357 O ASP A 21 127.677 -0.663 6.432 1.00 1.26 O ATOM 358 CB ASP A 21 124.354 -0.270 5.348 1.00 1.76 C ATOM 359 CG ASP A 21 123.465 -1.335 5.993 1.00 2.21 C ATOM 360 OD1 ASP A 21 123.336 -1.317 7.205 1.00 2.76 O ATOM 361 OD2 ASP A 21 122.928 -2.151 5.263 1.00 2.74 O ATOM 0 H ASP A 21 124.446 2.037 6.006 1.00 1.44 H new ATOM 0 HA ASP A 21 125.336 -0.386 7.279 1.00 1.43 H new ATOM 0 HB2 ASP A 21 123.752 0.586 5.044 1.00 1.76 H new ATOM 0 HB3 ASP A 21 124.820 -0.667 4.447 1.00 1.76 H new ATOM 366 N SER A 22 127.093 0.410 4.601 1.00 1.03 N ATOM 367 CA SER A 22 128.454 0.239 4.025 1.00 0.91 C ATOM 368 C SER A 22 129.463 0.817 5.014 1.00 0.85 C ATOM 369 O SER A 22 130.476 0.217 5.313 1.00 0.89 O ATOM 370 CB SER A 22 128.446 1.040 2.724 1.00 0.82 C ATOM 371 OG SER A 22 128.429 0.144 1.621 1.00 1.64 O ATOM 0 H SER A 22 126.429 0.913 4.012 1.00 1.03 H new ATOM 0 HA SER A 22 128.719 -0.802 3.837 1.00 0.91 H new ATOM 0 HB2 SER A 22 127.574 1.693 2.691 1.00 0.82 H new ATOM 0 HB3 SER A 22 129.326 1.681 2.673 1.00 0.82 H new ATOM 0 HG SER A 22 128.422 0.655 0.785 1.00 1.64 H new ATOM 377 N PHE A 23 129.168 1.973 5.548 1.00 0.85 N ATOM 378 CA PHE A 23 130.080 2.586 6.551 1.00 0.87 C ATOM 379 C PHE A 23 130.500 1.512 7.544 1.00 0.89 C ATOM 380 O PHE A 23 131.663 1.188 7.683 1.00 0.90 O ATOM 381 CB PHE A 23 129.228 3.623 7.271 1.00 0.95 C ATOM 382 CG PHE A 23 129.326 4.967 6.600 1.00 1.01 C ATOM 383 CD1 PHE A 23 129.583 5.067 5.227 1.00 1.61 C ATOM 384 CD2 PHE A 23 129.140 6.122 7.362 1.00 1.67 C ATOM 385 CE1 PHE A 23 129.641 6.327 4.628 1.00 1.84 C ATOM 386 CE2 PHE A 23 129.204 7.373 6.762 1.00 1.93 C ATOM 387 CZ PHE A 23 129.454 7.477 5.394 1.00 1.66 C ATOM 0 H PHE A 23 128.333 2.518 5.331 1.00 0.85 H new ATOM 0 HA PHE A 23 130.973 3.021 6.102 1.00 0.87 H new ATOM 0 HB2 PHE A 23 128.188 3.296 7.287 1.00 0.95 H new ATOM 0 HB3 PHE A 23 129.552 3.707 8.308 1.00 0.95 H new ATOM 0 HD1 PHE A 23 129.735 4.176 4.636 1.00 1.61 H new ATOM 0 HD2 PHE A 23 128.946 6.042 8.421 1.00 1.67 H new ATOM 0 HE1 PHE A 23 129.831 6.411 3.568 1.00 1.84 H new ATOM 0 HE2 PHE A 23 129.060 8.265 7.354 1.00 1.93 H new ATOM 0 HZ PHE A 23 129.503 8.450 4.927 1.00 1.66 H new ATOM 397 N HIS A 24 129.538 0.955 8.231 1.00 0.97 N ATOM 398 CA HIS A 24 129.840 -0.113 9.219 1.00 1.05 C ATOM 399 C HIS A 24 130.905 -1.051 8.652 1.00 0.96 C ATOM 400 O HIS A 24 131.773 -1.526 9.359 1.00 0.98 O ATOM 401 CB HIS A 24 128.514 -0.851 9.406 1.00 1.21 C ATOM 402 CG HIS A 24 128.696 -1.967 10.394 1.00 1.53 C ATOM 403 ND1 HIS A 24 128.890 -3.281 9.998 1.00 1.98 N ATOM 404 CD2 HIS A 24 128.717 -1.981 11.766 1.00 2.05 C ATOM 405 CE1 HIS A 24 129.018 -4.025 11.112 1.00 2.27 C ATOM 406 NE2 HIS A 24 128.920 -3.282 12.218 1.00 2.31 N ATOM 0 H HIS A 24 128.551 1.198 8.147 1.00 0.97 H new ATOM 0 HA HIS A 24 130.225 0.277 10.161 1.00 1.05 H new ATOM 0 HB2 HIS A 24 127.748 -0.160 9.759 1.00 1.21 H new ATOM 0 HB3 HIS A 24 128.169 -1.249 8.451 1.00 1.21 H new ATOM 0 HD2 HIS A 24 128.595 -1.114 12.399 1.00 2.05 H new ATOM 0 HE1 HIS A 24 129.180 -5.093 11.112 1.00 2.27 H new ATOM 0 HE2 HIS A 24 128.981 -3.600 13.185 1.00 2.31 H new ATOM 414 N SER A 25 130.848 -1.314 7.373 1.00 0.96 N ATOM 415 CA SER A 25 131.860 -2.215 6.752 1.00 0.97 C ATOM 416 C SER A 25 133.261 -1.604 6.873 1.00 0.91 C ATOM 417 O SER A 25 134.220 -2.292 7.162 1.00 0.96 O ATOM 418 CB SER A 25 131.444 -2.329 5.286 1.00 1.11 C ATOM 419 OG SER A 25 131.388 -3.702 4.920 1.00 1.74 O ATOM 0 H SER A 25 130.145 -0.944 6.733 1.00 0.96 H new ATOM 0 HA SER A 25 131.899 -3.189 7.239 1.00 0.97 H new ATOM 0 HB2 SER A 25 130.472 -1.860 5.134 1.00 1.11 H new ATOM 0 HB3 SER A 25 132.155 -1.800 4.652 1.00 1.11 H new ATOM 0 HG SER A 25 131.120 -3.779 3.981 1.00 1.74 H new ATOM 425 N LEU A 26 133.391 -0.318 6.665 1.00 0.89 N ATOM 426 CA LEU A 26 134.737 0.318 6.783 1.00 0.96 C ATOM 427 C LEU A 26 135.114 0.459 8.256 1.00 0.94 C ATOM 428 O LEU A 26 136.240 0.221 8.647 1.00 1.07 O ATOM 429 CB LEU A 26 134.604 1.695 6.135 1.00 1.05 C ATOM 430 CG LEU A 26 134.596 1.535 4.619 1.00 1.30 C ATOM 431 CD1 LEU A 26 133.166 1.674 4.115 1.00 1.74 C ATOM 432 CD2 LEU A 26 135.470 2.614 3.975 1.00 1.37 C ATOM 0 H LEU A 26 132.629 0.315 6.420 1.00 0.89 H new ATOM 0 HA LEU A 26 135.513 -0.276 6.300 1.00 0.96 H new ATOM 0 HB2 LEU A 26 133.686 2.179 6.467 1.00 1.05 H new ATOM 0 HB3 LEU A 26 135.431 2.336 6.441 1.00 1.05 H new ATOM 0 HG LEU A 26 134.991 0.554 4.355 1.00 1.30 H new ATOM 0 HD11 LEU A 26 133.150 1.561 3.031 1.00 1.74 H new ATOM 0 HD12 LEU A 26 132.543 0.903 4.570 1.00 1.74 H new ATOM 0 HD13 LEU A 26 132.780 2.657 4.383 1.00 1.74 H new ATOM 0 HD21 LEU A 26 135.459 2.493 2.892 1.00 1.37 H new ATOM 0 HD22 LEU A 26 135.082 3.599 4.234 1.00 1.37 H new ATOM 0 HD23 LEU A 26 136.493 2.520 4.340 1.00 1.37 H new ATOM 444 N ARG A 27 134.174 0.839 9.075 1.00 0.86 N ATOM 445 CA ARG A 27 134.467 0.990 10.527 1.00 0.94 C ATOM 446 C ARG A 27 135.254 -0.223 11.027 1.00 0.93 C ATOM 447 O ARG A 27 136.241 -0.092 11.724 1.00 1.10 O ATOM 448 CB ARG A 27 133.092 1.053 11.193 1.00 0.98 C ATOM 449 CG ARG A 27 132.967 2.341 12.007 1.00 1.26 C ATOM 450 CD ARG A 27 131.947 2.134 13.130 1.00 1.39 C ATOM 451 NE ARG A 27 132.722 1.514 14.241 1.00 1.64 N ATOM 452 CZ ARG A 27 132.195 1.414 15.431 1.00 1.63 C ATOM 453 NH1 ARG A 27 130.919 1.634 15.602 1.00 1.82 N ATOM 454 NH2 ARG A 27 132.945 1.098 16.452 1.00 2.26 N ATOM 0 H ARG A 27 133.215 1.052 8.801 1.00 0.86 H new ATOM 0 HA ARG A 27 135.068 1.872 10.747 1.00 0.94 H new ATOM 0 HB2 ARG A 27 132.309 1.014 10.436 1.00 0.98 H new ATOM 0 HB3 ARG A 27 132.952 0.188 11.841 1.00 0.98 H new ATOM 0 HG2 ARG A 27 133.935 2.615 12.426 1.00 1.26 H new ATOM 0 HG3 ARG A 27 132.654 3.163 11.363 1.00 1.26 H new ATOM 0 HD2 ARG A 27 131.502 3.080 13.439 1.00 1.39 H new ATOM 0 HD3 ARG A 27 131.131 1.487 12.808 1.00 1.39 H new ATOM 0 HE ARG A 27 133.666 1.167 14.071 1.00 1.64 H new ATOM 0 HH11 ARG A 27 130.333 1.884 14.805 1.00 1.82 H new ATOM 0 HH12 ARG A 27 130.508 1.556 16.532 1.00 1.82 H new ATOM 0 HH21 ARG A 27 133.942 0.929 16.319 1.00 2.26 H new ATOM 0 HH22 ARG A 27 132.534 1.020 17.382 1.00 2.26 H new ATOM 468 N ASP A 28 134.828 -1.402 10.667 1.00 0.89 N ATOM 469 CA ASP A 28 135.554 -2.627 11.108 1.00 0.93 C ATOM 470 C ASP A 28 136.523 -3.067 10.010 1.00 0.90 C ATOM 471 O ASP A 28 137.025 -4.174 10.014 1.00 1.02 O ATOM 472 CB ASP A 28 134.466 -3.679 11.319 1.00 1.02 C ATOM 473 CG ASP A 28 133.692 -3.878 10.015 1.00 1.53 C ATOM 474 OD1 ASP A 28 134.323 -4.179 9.015 1.00 2.00 O ATOM 475 OD2 ASP A 28 132.482 -3.725 10.038 1.00 2.29 O ATOM 0 H ASP A 28 134.007 -1.571 10.086 1.00 0.89 H new ATOM 0 HA ASP A 28 136.139 -2.467 12.014 1.00 0.93 H new ATOM 0 HB2 ASP A 28 134.912 -4.621 11.637 1.00 1.02 H new ATOM 0 HB3 ASP A 28 133.788 -3.363 12.112 1.00 1.02 H new ATOM 480 N SER A 29 136.788 -2.200 9.071 1.00 0.83 N ATOM 481 CA SER A 29 137.723 -2.553 7.971 1.00 0.86 C ATOM 482 C SER A 29 139.144 -2.152 8.356 1.00 0.88 C ATOM 483 O SER A 29 140.055 -2.955 8.305 1.00 0.94 O ATOM 484 CB SER A 29 137.245 -1.749 6.765 1.00 0.90 C ATOM 485 OG SER A 29 137.984 -2.139 5.615 1.00 1.44 O ATOM 0 H SER A 29 136.395 -1.260 9.020 1.00 0.83 H new ATOM 0 HA SER A 29 137.734 -3.622 7.760 1.00 0.86 H new ATOM 0 HB2 SER A 29 136.181 -1.917 6.601 1.00 0.90 H new ATOM 0 HB3 SER A 29 137.375 -0.683 6.950 1.00 0.90 H new ATOM 0 HG SER A 29 138.055 -1.380 4.999 1.00 1.44 H new ATOM 491 N VAL A 30 139.355 -0.917 8.744 1.00 0.87 N ATOM 492 CA VAL A 30 140.721 -0.502 9.125 1.00 0.94 C ATOM 493 C VAL A 30 140.795 -0.275 10.635 1.00 1.03 C ATOM 494 O VAL A 30 140.615 0.829 11.107 1.00 1.09 O ATOM 495 CB VAL A 30 140.945 0.800 8.366 1.00 0.92 C ATOM 496 CG1 VAL A 30 142.291 1.400 8.770 1.00 1.30 C ATOM 497 CG2 VAL A 30 140.940 0.514 6.863 1.00 0.94 C ATOM 0 H VAL A 30 138.641 -0.192 8.810 1.00 0.87 H new ATOM 0 HA VAL A 30 141.476 -1.250 8.885 1.00 0.94 H new ATOM 0 HB VAL A 30 140.150 1.506 8.605 1.00 0.92 H new ATOM 0 HG11 VAL A 30 142.452 2.331 8.227 1.00 1.30 H new ATOM 0 HG12 VAL A 30 142.294 1.599 9.842 1.00 1.30 H new ATOM 0 HG13 VAL A 30 143.089 0.698 8.530 1.00 1.30 H new ATOM 0 HG21 VAL A 30 141.100 1.443 6.315 1.00 0.94 H new ATOM 0 HG22 VAL A 30 141.737 -0.190 6.624 1.00 0.94 H new ATOM 0 HG23 VAL A 30 139.979 0.085 6.577 1.00 0.94 H new ATOM 667 N GLN A 42 134.216 10.394 8.555 1.00 1.30 N ATOM 668 CA GLN A 42 135.631 10.094 8.909 1.00 1.16 C ATOM 669 C GLN A 42 135.964 8.648 8.545 1.00 1.10 C ATOM 670 O GLN A 42 137.110 8.301 8.333 1.00 1.37 O ATOM 671 CB GLN A 42 135.724 10.300 10.419 1.00 1.29 C ATOM 672 CG GLN A 42 136.325 11.676 10.712 1.00 2.01 C ATOM 673 CD GLN A 42 137.717 11.502 11.323 1.00 2.19 C ATOM 674 OE1 GLN A 42 138.100 10.408 11.690 1.00 2.84 O ATOM 675 NE2 GLN A 42 138.496 12.541 11.449 1.00 2.21 N ATOM 0 HA GLN A 42 136.333 10.732 8.372 1.00 1.16 H new ATOM 0 HB2 GLN A 42 134.734 10.221 10.869 1.00 1.29 H new ATOM 0 HB3 GLN A 42 136.341 9.520 10.866 1.00 1.29 H new ATOM 0 HG2 GLN A 42 136.389 12.260 9.794 1.00 2.01 H new ATOM 0 HG3 GLN A 42 135.681 12.228 11.397 1.00 2.01 H new ATOM 0 HE21 GLN A 42 138.175 13.459 11.141 1.00 2.21 H new ATOM 0 HE22 GLN A 42 139.426 12.435 11.855 1.00 2.21 H new ATOM 684 N ILE A 43 134.972 7.802 8.446 1.00 0.94 N ATOM 685 CA ILE A 43 135.259 6.393 8.067 1.00 1.02 C ATOM 686 C ILE A 43 135.832 6.404 6.660 1.00 0.95 C ATOM 687 O ILE A 43 136.606 5.555 6.271 1.00 1.01 O ATOM 688 CB ILE A 43 133.914 5.662 8.094 1.00 1.18 C ATOM 689 CG1 ILE A 43 133.140 6.048 9.364 1.00 2.22 C ATOM 690 CG2 ILE A 43 134.171 4.153 8.081 1.00 1.33 C ATOM 691 CD1 ILE A 43 131.945 5.111 9.559 1.00 2.95 C ATOM 0 H ILE A 43 133.990 8.024 8.609 1.00 0.94 H new ATOM 0 HA ILE A 43 135.969 5.905 8.735 1.00 1.02 H new ATOM 0 HB ILE A 43 133.323 5.942 7.222 1.00 1.18 H new ATOM 0 HG12 ILE A 43 133.799 5.995 10.231 1.00 2.22 H new ATOM 0 HG13 ILE A 43 132.795 7.079 9.289 1.00 2.22 H new ATOM 0 HG21 ILE A 43 133.219 3.622 8.100 1.00 1.33 H new ATOM 0 HG22 ILE A 43 134.718 3.885 7.177 1.00 1.33 H new ATOM 0 HG23 ILE A 43 134.759 3.876 8.956 1.00 1.33 H new ATOM 0 HD11 ILE A 43 131.404 5.394 10.462 1.00 2.95 H new ATOM 0 HD12 ILE A 43 131.280 5.186 8.699 1.00 2.95 H new ATOM 0 HD13 ILE A 43 132.299 4.085 9.655 1.00 2.95 H new ATOM 703 N LEU A 44 135.445 7.389 5.905 1.00 0.95 N ATOM 704 CA LEU A 44 135.937 7.521 4.511 1.00 1.07 C ATOM 705 C LEU A 44 137.255 8.292 4.488 1.00 1.01 C ATOM 706 O LEU A 44 138.196 7.904 3.824 1.00 0.96 O ATOM 707 CB LEU A 44 134.838 8.299 3.809 1.00 1.43 C ATOM 708 CG LEU A 44 133.583 7.442 3.801 1.00 0.94 C ATOM 709 CD1 LEU A 44 132.512 8.108 4.661 1.00 1.42 C ATOM 710 CD2 LEU A 44 133.083 7.284 2.364 1.00 1.24 C ATOM 0 H LEU A 44 134.798 8.120 6.200 1.00 0.95 H new ATOM 0 HA LEU A 44 136.136 6.561 4.034 1.00 1.07 H new ATOM 0 HB2 LEU A 44 134.652 9.242 4.323 1.00 1.43 H new ATOM 0 HB3 LEU A 44 135.137 8.545 2.790 1.00 1.43 H new ATOM 0 HG LEU A 44 133.806 6.456 4.209 1.00 0.94 H new ATOM 0 HD11 LEU A 44 131.610 7.496 4.658 1.00 1.42 H new ATOM 0 HD12 LEU A 44 132.877 8.210 5.683 1.00 1.42 H new ATOM 0 HD13 LEU A 44 132.283 9.094 4.257 1.00 1.42 H new ATOM 0 HD21 LEU A 44 132.183 6.669 2.357 1.00 1.24 H new ATOM 0 HD22 LEU A 44 132.855 8.265 1.948 1.00 1.24 H new ATOM 0 HD23 LEU A 44 133.854 6.804 1.761 1.00 1.24 H new ATOM 722 N ASP A 45 137.334 9.376 5.214 1.00 1.09 N ATOM 723 CA ASP A 45 138.601 10.159 5.237 1.00 1.15 C ATOM 724 C ASP A 45 139.780 9.194 5.347 1.00 1.00 C ATOM 725 O ASP A 45 140.741 9.279 4.607 1.00 0.93 O ATOM 726 CB ASP A 45 138.505 11.046 6.479 1.00 1.37 C ATOM 727 CG ASP A 45 138.741 12.504 6.081 1.00 1.59 C ATOM 728 OD1 ASP A 45 139.789 12.783 5.522 1.00 1.77 O ATOM 729 OD2 ASP A 45 137.869 13.317 6.342 1.00 2.29 O ATOM 0 H ASP A 45 136.579 9.750 5.789 1.00 1.09 H new ATOM 0 HA ASP A 45 138.748 10.757 4.337 1.00 1.15 H new ATOM 0 HB2 ASP A 45 137.524 10.938 6.942 1.00 1.37 H new ATOM 0 HB3 ASP A 45 139.242 10.736 7.219 1.00 1.37 H new ATOM 734 N LYS A 46 139.698 8.254 6.249 1.00 1.02 N ATOM 735 CA LYS A 46 140.797 7.262 6.385 1.00 0.96 C ATOM 736 C LYS A 46 140.657 6.218 5.271 1.00 0.84 C ATOM 737 O LYS A 46 141.563 6.018 4.487 1.00 0.89 O ATOM 738 CB LYS A 46 140.604 6.644 7.771 1.00 1.02 C ATOM 739 CG LYS A 46 140.630 7.757 8.824 1.00 1.54 C ATOM 740 CD LYS A 46 142.081 8.118 9.154 1.00 1.67 C ATOM 741 CE LYS A 46 142.187 9.619 9.437 1.00 2.59 C ATOM 742 NZ LYS A 46 141.817 9.768 10.872 1.00 2.66 N ATOM 0 H LYS A 46 138.918 8.132 6.895 1.00 1.02 H new ATOM 0 HA LYS A 46 141.792 7.697 6.294 1.00 0.96 H new ATOM 0 HB2 LYS A 46 139.656 6.107 7.815 1.00 1.02 H new ATOM 0 HB3 LYS A 46 141.392 5.918 7.972 1.00 1.02 H new ATOM 0 HG2 LYS A 46 140.102 8.635 8.453 1.00 1.54 H new ATOM 0 HG3 LYS A 46 140.112 7.431 9.726 1.00 1.54 H new ATOM 0 HD2 LYS A 46 142.419 7.550 10.021 1.00 1.67 H new ATOM 0 HD3 LYS A 46 142.731 7.848 8.322 1.00 1.67 H new ATOM 0 HE2 LYS A 46 143.196 9.986 9.250 1.00 2.59 H new ATOM 0 HE3 LYS A 46 141.516 10.190 8.795 1.00 2.59 H new ATOM 0 HZ1 LYS A 46 141.866 10.771 11.141 1.00 2.66 H new ATOM 0 HZ2 LYS A 46 140.849 9.417 11.019 1.00 2.66 H new ATOM 0 HZ3 LYS A 46 142.477 9.219 11.459 1.00 2.66 H new ATOM 756 N ALA A 47 139.516 5.568 5.188 1.00 0.73 N ATOM 757 CA ALA A 47 139.294 4.553 4.105 1.00 0.69 C ATOM 758 C ALA A 47 139.983 4.995 2.804 1.00 0.70 C ATOM 759 O ALA A 47 140.645 4.218 2.144 1.00 0.70 O ATOM 760 CB ALA A 47 137.770 4.514 3.900 1.00 0.69 C ATOM 0 H ALA A 47 138.729 5.697 5.824 1.00 0.73 H new ATOM 0 HA ALA A 47 139.704 3.579 4.373 1.00 0.69 H new ATOM 0 HB1 ALA A 47 137.526 3.792 3.121 1.00 0.69 H new ATOM 0 HB2 ALA A 47 137.285 4.220 4.831 1.00 0.69 H new ATOM 0 HB3 ALA A 47 137.417 5.502 3.603 1.00 0.69 H new ATOM 766 N THR A 48 139.826 6.239 2.430 1.00 0.83 N ATOM 767 CA THR A 48 140.465 6.732 1.171 1.00 0.92 C ATOM 768 C THR A 48 141.980 6.830 1.341 1.00 0.83 C ATOM 769 O THR A 48 142.740 6.331 0.535 1.00 0.79 O ATOM 770 CB THR A 48 139.877 8.125 0.943 1.00 1.17 C ATOM 771 OG1 THR A 48 138.549 8.165 1.441 1.00 1.76 O ATOM 772 CG2 THR A 48 139.879 8.443 -0.554 1.00 1.36 C ATOM 0 H THR A 48 139.283 6.935 2.941 1.00 0.83 H new ATOM 0 HA THR A 48 140.278 6.060 0.334 1.00 0.92 H new ATOM 0 HB THR A 48 140.481 8.866 1.468 1.00 1.17 H new ATOM 0 HG1 THR A 48 138.549 8.549 2.343 1.00 1.76 H new ATOM 0 HG21 THR A 48 139.460 9.436 -0.716 1.00 1.36 H new ATOM 0 HG22 THR A 48 140.902 8.415 -0.931 1.00 1.36 H new ATOM 0 HG23 THR A 48 139.277 7.705 -1.084 1.00 1.36 H new ATOM 780 N GLU A 49 142.424 7.477 2.382 1.00 0.88 N ATOM 781 CA GLU A 49 143.893 7.615 2.598 1.00 0.90 C ATOM 782 C GLU A 49 144.567 6.245 2.518 1.00 0.77 C ATOM 783 O GLU A 49 145.713 6.128 2.135 1.00 0.83 O ATOM 784 CB GLU A 49 144.036 8.207 4.001 1.00 1.04 C ATOM 785 CG GLU A 49 143.589 9.670 3.982 1.00 1.34 C ATOM 786 CD GLU A 49 143.631 10.238 5.401 1.00 1.68 C ATOM 787 OE1 GLU A 49 144.319 9.664 6.229 1.00 2.26 O ATOM 788 OE2 GLU A 49 142.973 11.239 5.637 1.00 2.01 O ATOM 0 H GLU A 49 141.836 7.915 3.091 1.00 0.88 H new ATOM 0 HA GLU A 49 144.365 8.245 1.844 1.00 0.90 H new ATOM 0 HB2 GLU A 49 143.433 7.640 4.710 1.00 1.04 H new ATOM 0 HB3 GLU A 49 145.071 8.136 4.334 1.00 1.04 H new ATOM 0 HG2 GLU A 49 144.239 10.251 3.328 1.00 1.34 H new ATOM 0 HG3 GLU A 49 142.579 9.747 3.578 1.00 1.34 H new ATOM 795 N TYR A 50 143.863 5.208 2.878 1.00 0.67 N ATOM 796 CA TYR A 50 144.461 3.844 2.826 1.00 0.64 C ATOM 797 C TYR A 50 144.541 3.346 1.380 1.00 0.62 C ATOM 798 O TYR A 50 145.538 2.793 0.960 1.00 0.64 O ATOM 799 CB TYR A 50 143.510 2.969 3.641 1.00 0.65 C ATOM 800 CG TYR A 50 144.012 2.866 5.060 1.00 0.93 C ATOM 801 CD1 TYR A 50 143.625 3.819 6.010 1.00 1.72 C ATOM 802 CD2 TYR A 50 144.862 1.816 5.427 1.00 1.38 C ATOM 803 CE1 TYR A 50 144.091 3.723 7.326 1.00 2.07 C ATOM 804 CE2 TYR A 50 145.328 1.720 6.743 1.00 1.72 C ATOM 805 CZ TYR A 50 144.941 2.672 7.694 1.00 1.79 C ATOM 806 OH TYR A 50 145.397 2.576 8.992 1.00 2.26 O ATOM 0 H TYR A 50 142.898 5.246 3.206 1.00 0.67 H new ATOM 0 HA TYR A 50 145.477 3.826 3.219 1.00 0.64 H new ATOM 0 HB2 TYR A 50 142.507 3.395 3.629 1.00 0.65 H new ATOM 0 HB3 TYR A 50 143.440 1.977 3.196 1.00 0.65 H new ATOM 0 HD1 TYR A 50 142.967 4.628 5.727 1.00 1.72 H new ATOM 0 HD2 TYR A 50 145.158 1.080 4.694 1.00 1.38 H new ATOM 0 HE1 TYR A 50 143.795 4.460 8.058 1.00 2.07 H new ATOM 0 HE2 TYR A 50 145.986 0.912 7.025 1.00 1.72 H new ATOM 0 HH TYR A 50 145.975 1.789 9.078 1.00 2.26 H new ATOM 816 N ILE A 51 143.500 3.530 0.615 1.00 0.65 N ATOM 817 CA ILE A 51 143.525 3.055 -0.799 1.00 0.67 C ATOM 818 C ILE A 51 144.621 3.778 -1.590 1.00 0.66 C ATOM 819 O ILE A 51 145.658 3.217 -1.884 1.00 0.65 O ATOM 820 CB ILE A 51 142.148 3.397 -1.366 1.00 0.76 C ATOM 821 CG1 ILE A 51 141.062 2.719 -0.526 1.00 0.88 C ATOM 822 CG2 ILE A 51 142.056 2.895 -2.807 1.00 0.82 C ATOM 823 CD1 ILE A 51 139.689 3.237 -0.956 1.00 0.73 C ATOM 0 H ILE A 51 142.636 3.987 0.906 1.00 0.65 H new ATOM 0 HA ILE A 51 143.739 1.988 -0.863 1.00 0.67 H new ATOM 0 HB ILE A 51 142.005 4.477 -1.341 1.00 0.76 H new ATOM 0 HG12 ILE A 51 141.111 1.638 -0.653 1.00 0.88 H new ATOM 0 HG13 ILE A 51 141.225 2.923 0.532 1.00 0.88 H new ATOM 0 HG21 ILE A 51 141.075 3.137 -3.215 1.00 0.82 H new ATOM 0 HG22 ILE A 51 142.828 3.374 -3.409 1.00 0.82 H new ATOM 0 HG23 ILE A 51 142.200 1.815 -2.826 1.00 0.82 H new ATOM 0 HD11 ILE A 51 138.915 2.755 -0.359 1.00 0.73 H new ATOM 0 HD12 ILE A 51 139.644 4.316 -0.806 1.00 0.73 H new ATOM 0 HD13 ILE A 51 139.528 3.010 -2.010 1.00 0.73 H new ATOM 835 N GLN A 52 144.396 5.015 -1.943 1.00 0.77 N ATOM 836 CA GLN A 52 145.423 5.766 -2.720 1.00 0.82 C ATOM 837 C GLN A 52 146.816 5.519 -2.134 1.00 0.73 C ATOM 838 O GLN A 52 147.798 5.460 -2.847 1.00 0.71 O ATOM 839 CB GLN A 52 145.025 7.238 -2.588 1.00 1.02 C ATOM 840 CG GLN A 52 145.404 7.759 -1.200 1.00 1.19 C ATOM 841 CD GLN A 52 144.734 9.115 -0.968 1.00 1.68 C ATOM 842 OE1 GLN A 52 143.527 9.157 -0.474 1.00 2.44 O flip ATOM 843 NE2 GLN A 52 145.315 10.147 -1.239 1.00 2.11 N flip ATOM 0 H GLN A 52 143.547 5.537 -1.727 1.00 0.77 H new ATOM 0 HA GLN A 52 145.464 5.453 -3.763 1.00 0.82 H new ATOM 0 HB2 GLN A 52 145.524 7.829 -3.356 1.00 1.02 H new ATOM 0 HB3 GLN A 52 143.952 7.349 -2.747 1.00 1.02 H new ATOM 0 HG2 GLN A 52 145.090 7.050 -0.434 1.00 1.19 H new ATOM 0 HG3 GLN A 52 146.487 7.857 -1.119 1.00 1.19 H new ATOM 0 HE21 GLN A 52 146.259 10.115 -1.625 1.00 2.11 H new ATOM 0 HE22 GLN A 52 144.859 11.046 -1.080 1.00 2.11 H new ATOM 852 N TYR A 53 146.908 5.368 -0.842 1.00 0.75 N ATOM 853 CA TYR A 53 148.237 5.116 -0.216 1.00 0.76 C ATOM 854 C TYR A 53 148.724 3.708 -0.567 1.00 0.68 C ATOM 855 O TYR A 53 149.864 3.509 -0.938 1.00 0.79 O ATOM 856 CB TYR A 53 147.994 5.238 1.288 1.00 0.87 C ATOM 857 CG TYR A 53 149.175 4.670 2.037 1.00 0.96 C ATOM 858 CD1 TYR A 53 150.476 5.042 1.679 1.00 1.62 C ATOM 859 CD2 TYR A 53 148.968 3.771 3.090 1.00 1.50 C ATOM 860 CE1 TYR A 53 151.570 4.515 2.375 1.00 1.73 C ATOM 861 CE2 TYR A 53 150.062 3.244 3.786 1.00 1.56 C ATOM 862 CZ TYR A 53 151.363 3.616 3.428 1.00 1.22 C ATOM 863 OH TYR A 53 152.442 3.098 4.115 1.00 1.38 O ATOM 0 H TYR A 53 146.122 5.408 -0.193 1.00 0.75 H new ATOM 0 HA TYR A 53 148.999 5.814 -0.564 1.00 0.76 H new ATOM 0 HB2 TYR A 53 147.846 6.283 1.560 1.00 0.87 H new ATOM 0 HB3 TYR A 53 147.084 4.705 1.564 1.00 0.87 H new ATOM 0 HD1 TYR A 53 150.636 5.735 0.866 1.00 1.62 H new ATOM 0 HD2 TYR A 53 147.964 3.484 3.365 1.00 1.50 H new ATOM 0 HE1 TYR A 53 152.574 4.802 2.100 1.00 1.73 H new ATOM 0 HE2 TYR A 53 149.902 2.551 4.599 1.00 1.56 H new ATOM 0 HH TYR A 53 152.123 2.491 4.815 1.00 1.38 H new ATOM 873 N MET A 54 147.868 2.729 -0.452 1.00 0.59 N ATOM 874 CA MET A 54 148.282 1.334 -0.779 1.00 0.60 C ATOM 875 C MET A 54 148.549 1.199 -2.278 1.00 0.56 C ATOM 876 O MET A 54 149.601 0.753 -2.692 1.00 0.57 O ATOM 877 CB MET A 54 147.099 0.461 -0.358 1.00 0.68 C ATOM 878 CG MET A 54 146.947 0.518 1.162 1.00 0.77 C ATOM 879 SD MET A 54 147.331 -1.103 1.870 1.00 1.40 S ATOM 880 CE MET A 54 147.690 -0.529 3.548 1.00 0.80 C ATOM 0 H MET A 54 146.901 2.834 -0.146 1.00 0.59 H new ATOM 0 HA MET A 54 149.201 1.044 -0.269 1.00 0.60 H new ATOM 0 HB2 MET A 54 146.185 0.809 -0.840 1.00 0.68 H new ATOM 0 HB3 MET A 54 147.258 -0.568 -0.681 1.00 0.68 H new ATOM 0 HG2 MET A 54 147.613 1.274 1.576 1.00 0.77 H new ATOM 0 HG3 MET A 54 145.930 0.810 1.426 1.00 0.77 H new ATOM 0 HE1 MET A 54 147.642 -1.371 4.239 1.00 0.80 H new ATOM 0 HE2 MET A 54 148.688 -0.092 3.577 1.00 0.80 H new ATOM 0 HE3 MET A 54 146.956 0.222 3.840 1.00 0.80 H new ATOM 890 N ARG A 55 147.611 1.582 -3.098 1.00 0.56 N ATOM 891 CA ARG A 55 147.826 1.476 -4.568 1.00 0.56 C ATOM 892 C ARG A 55 149.208 2.024 -4.935 1.00 0.58 C ATOM 893 O ARG A 55 149.932 1.438 -5.715 1.00 0.58 O ATOM 894 CB ARG A 55 146.725 2.330 -5.193 1.00 0.60 C ATOM 895 CG ARG A 55 146.472 1.865 -6.626 1.00 1.27 C ATOM 896 CD ARG A 55 145.287 2.636 -7.209 1.00 1.63 C ATOM 897 NE ARG A 55 145.888 3.566 -8.203 1.00 1.73 N ATOM 898 CZ ARG A 55 146.032 3.188 -9.443 1.00 2.04 C ATOM 899 NH1 ARG A 55 145.004 3.182 -10.245 1.00 2.60 N ATOM 900 NH2 ARG A 55 147.204 2.812 -9.879 1.00 2.56 N ATOM 0 H ARG A 55 146.708 1.963 -2.816 1.00 0.56 H new ATOM 0 HA ARG A 55 147.787 0.445 -4.921 1.00 0.56 H new ATOM 0 HB2 ARG A 55 145.810 2.249 -4.606 1.00 0.60 H new ATOM 0 HB3 ARG A 55 147.016 3.380 -5.186 1.00 0.60 H new ATOM 0 HG2 ARG A 55 147.361 2.028 -7.235 1.00 1.27 H new ATOM 0 HG3 ARG A 55 146.267 0.795 -6.642 1.00 1.27 H new ATOM 0 HD2 ARG A 55 144.571 1.963 -7.680 1.00 1.63 H new ATOM 0 HD3 ARG A 55 144.749 3.181 -6.433 1.00 1.63 H new ATOM 0 HE ARG A 55 146.187 4.498 -7.915 1.00 1.73 H new ATOM 0 HH11 ARG A 55 144.088 3.473 -9.903 1.00 2.60 H new ATOM 0 HH12 ARG A 55 145.116 2.887 -11.215 1.00 2.60 H new ATOM 0 HH21 ARG A 55 148.007 2.814 -9.250 1.00 2.56 H new ATOM 0 HH22 ARG A 55 147.317 2.516 -10.849 1.00 2.56 H new ATOM 914 N ARG A 56 149.581 3.143 -4.375 1.00 0.66 N ATOM 915 CA ARG A 56 150.917 3.725 -4.691 1.00 0.71 C ATOM 916 C ARG A 56 152.026 2.850 -4.101 1.00 0.68 C ATOM 917 O ARG A 56 152.914 2.403 -4.799 1.00 0.67 O ATOM 918 CB ARG A 56 150.919 5.105 -4.033 1.00 0.83 C ATOM 919 CG ARG A 56 151.762 6.067 -4.873 1.00 1.14 C ATOM 920 CD ARG A 56 151.015 7.391 -5.038 1.00 1.31 C ATOM 921 NE ARG A 56 150.145 7.195 -6.229 1.00 1.33 N ATOM 922 CZ ARG A 56 148.940 6.715 -6.084 1.00 1.82 C ATOM 923 NH1 ARG A 56 148.152 7.199 -5.164 1.00 2.46 N ATOM 924 NH2 ARG A 56 148.523 5.750 -6.858 1.00 2.36 N ATOM 0 H ARG A 56 149.019 3.679 -3.713 1.00 0.66 H new ATOM 0 HA ARG A 56 151.095 3.787 -5.765 1.00 0.71 H new ATOM 0 HB2 ARG A 56 149.899 5.480 -3.945 1.00 0.83 H new ATOM 0 HB3 ARG A 56 151.322 5.038 -3.023 1.00 0.83 H new ATOM 0 HG2 ARG A 56 152.725 6.238 -4.392 1.00 1.14 H new ATOM 0 HG3 ARG A 56 151.967 5.629 -5.850 1.00 1.14 H new ATOM 0 HD2 ARG A 56 150.425 7.624 -4.152 1.00 1.31 H new ATOM 0 HD3 ARG A 56 151.708 8.219 -5.187 1.00 1.31 H new ATOM 0 HE ARG A 56 150.490 7.436 -7.158 1.00 1.33 H new ATOM 0 HH11 ARG A 56 148.478 7.952 -4.558 1.00 2.46 H new ATOM 0 HH12 ARG A 56 147.210 6.824 -5.050 1.00 2.46 H new ATOM 0 HH21 ARG A 56 149.139 5.370 -7.577 1.00 2.36 H new ATOM 0 HH22 ARG A 56 147.581 5.376 -6.744 1.00 2.36 H new ATOM 938 N LYS A 57 151.981 2.600 -2.820 1.00 0.72 N ATOM 939 CA LYS A 57 153.033 1.752 -2.191 1.00 0.75 C ATOM 940 C LYS A 57 153.056 0.371 -2.849 1.00 0.71 C ATOM 941 O LYS A 57 154.102 -0.158 -3.169 1.00 0.71 O ATOM 942 CB LYS A 57 152.627 1.642 -0.720 1.00 0.83 C ATOM 943 CG LYS A 57 153.398 0.496 -0.061 1.00 1.10 C ATOM 944 CD LYS A 57 153.432 0.709 1.454 1.00 1.27 C ATOM 945 CE LYS A 57 153.392 -0.648 2.162 1.00 1.77 C ATOM 946 NZ LYS A 57 152.314 -0.518 3.181 1.00 2.36 N ATOM 0 H LYS A 57 151.263 2.946 -2.184 1.00 0.72 H new ATOM 0 HA LYS A 57 154.031 2.175 -2.305 1.00 0.75 H new ATOM 0 HB2 LYS A 57 152.835 2.579 -0.203 1.00 0.83 H new ATOM 0 HB3 LYS A 57 151.554 1.466 -0.640 1.00 0.83 H new ATOM 0 HG2 LYS A 57 152.924 -0.457 -0.294 1.00 1.10 H new ATOM 0 HG3 LYS A 57 154.413 0.452 -0.456 1.00 1.10 H new ATOM 0 HD2 LYS A 57 154.335 1.251 1.735 1.00 1.27 H new ATOM 0 HD3 LYS A 57 152.584 1.319 1.765 1.00 1.27 H new ATOM 0 HE2 LYS A 57 153.177 -1.454 1.460 1.00 1.77 H new ATOM 0 HE3 LYS A 57 154.350 -0.879 2.628 1.00 1.77 H new ATOM 0 HZ1 LYS A 57 152.226 -1.410 3.709 1.00 2.36 H new ATOM 0 HZ2 LYS A 57 152.550 0.252 3.839 1.00 2.36 H new ATOM 0 HZ3 LYS A 57 151.413 -0.305 2.708 1.00 2.36 H new ATOM 960 N VAL A 58 151.909 -0.216 -3.057 1.00 0.72 N ATOM 961 CA VAL A 58 151.865 -1.560 -3.699 1.00 0.73 C ATOM 962 C VAL A 58 152.624 -1.530 -5.027 1.00 0.68 C ATOM 963 O VAL A 58 153.493 -2.342 -5.276 1.00 0.68 O ATOM 964 CB VAL A 58 150.381 -1.839 -3.934 1.00 0.79 C ATOM 965 CG1 VAL A 58 150.222 -3.168 -4.674 1.00 1.40 C ATOM 966 CG2 VAL A 58 149.658 -1.919 -2.588 1.00 1.36 C ATOM 0 H VAL A 58 151.001 0.177 -2.810 1.00 0.72 H new ATOM 0 HA VAL A 58 152.329 -2.330 -3.083 1.00 0.73 H new ATOM 0 HB VAL A 58 149.952 -1.035 -4.532 1.00 0.79 H new ATOM 0 HG11 VAL A 58 149.163 -3.367 -4.841 1.00 1.40 H new ATOM 0 HG12 VAL A 58 150.737 -3.114 -5.633 1.00 1.40 H new ATOM 0 HG13 VAL A 58 150.652 -3.971 -4.076 1.00 1.40 H new ATOM 0 HG21 VAL A 58 148.599 -2.118 -2.755 1.00 1.36 H new ATOM 0 HG22 VAL A 58 150.089 -2.723 -1.991 1.00 1.36 H new ATOM 0 HG23 VAL A 58 149.770 -0.973 -2.058 1.00 1.36 H new ATOM 976 N HIS A 59 152.305 -0.596 -5.881 1.00 0.69 N ATOM 977 CA HIS A 59 153.013 -0.512 -7.190 1.00 0.67 C ATOM 978 C HIS A 59 154.525 -0.476 -6.962 1.00 0.61 C ATOM 979 O HIS A 59 155.269 -1.242 -7.541 1.00 0.61 O ATOM 980 CB HIS A 59 152.531 0.796 -7.820 1.00 0.71 C ATOM 981 CG HIS A 59 152.804 0.769 -9.298 1.00 1.06 C ATOM 982 ND1 HIS A 59 153.649 1.681 -9.910 1.00 1.76 N ATOM 983 CD2 HIS A 59 152.353 -0.055 -10.299 1.00 1.80 C ATOM 984 CE1 HIS A 59 153.681 1.386 -11.223 1.00 2.09 C ATOM 985 NE2 HIS A 59 152.908 0.336 -11.513 1.00 2.12 N ATOM 0 H HIS A 59 151.586 0.111 -5.729 1.00 0.69 H new ATOM 0 HA HIS A 59 152.806 -1.369 -7.831 1.00 0.67 H new ATOM 0 HB2 HIS A 59 151.464 0.928 -7.638 1.00 0.71 H new ATOM 0 HB3 HIS A 59 153.040 1.643 -7.360 1.00 0.71 H new ATOM 0 HD2 HIS A 59 151.671 -0.881 -10.164 1.00 1.80 H new ATOM 0 HE1 HIS A 59 154.261 1.932 -11.953 1.00 2.09 H new ATOM 0 HE2 HIS A 59 152.757 -0.088 -12.428 1.00 2.12 H new ATOM 993 N THR A 60 154.984 0.406 -6.117 1.00 0.59 N ATOM 994 CA THR A 60 156.447 0.488 -5.846 1.00 0.56 C ATOM 995 C THR A 60 156.936 -0.823 -5.227 1.00 0.52 C ATOM 996 O THR A 60 157.907 -1.405 -5.668 1.00 0.51 O ATOM 997 CB THR A 60 156.602 1.641 -4.854 1.00 0.59 C ATOM 998 OG1 THR A 60 155.547 1.590 -3.903 1.00 1.35 O ATOM 999 CG2 THR A 60 156.550 2.973 -5.604 1.00 1.29 C ATOM 0 H THR A 60 154.409 1.073 -5.603 1.00 0.59 H new ATOM 0 HA THR A 60 157.030 0.652 -6.752 1.00 0.56 H new ATOM 0 HB THR A 60 157.560 1.553 -4.341 1.00 0.59 H new ATOM 0 HG1 THR A 60 155.054 0.749 -4.006 1.00 1.35 H new ATOM 0 HG21 THR A 60 156.661 3.794 -4.896 1.00 1.29 H new ATOM 0 HG22 THR A 60 157.359 3.012 -6.333 1.00 1.29 H new ATOM 0 HG23 THR A 60 155.593 3.064 -6.118 1.00 1.29 H new ATOM 1007 N LEU A 61 156.267 -1.296 -4.210 1.00 0.55 N ATOM 1008 CA LEU A 61 156.692 -2.573 -3.569 1.00 0.54 C ATOM 1009 C LEU A 61 156.744 -3.687 -4.616 1.00 0.53 C ATOM 1010 O LEU A 61 157.777 -4.281 -4.855 1.00 0.51 O ATOM 1011 CB LEU A 61 155.621 -2.871 -2.518 1.00 0.63 C ATOM 1012 CG LEU A 61 156.034 -2.256 -1.179 1.00 0.67 C ATOM 1013 CD1 LEU A 61 154.810 -2.139 -0.269 1.00 0.76 C ATOM 1014 CD2 LEU A 61 157.081 -3.148 -0.510 1.00 0.80 C ATOM 0 H LEU A 61 155.446 -0.854 -3.796 1.00 0.55 H new ATOM 0 HA LEU A 61 157.684 -2.504 -3.123 1.00 0.54 H new ATOM 0 HB2 LEU A 61 154.661 -2.464 -2.836 1.00 0.63 H new ATOM 0 HB3 LEU A 61 155.491 -3.948 -2.411 1.00 0.63 H new ATOM 0 HG LEU A 61 156.454 -1.265 -1.351 1.00 0.67 H new ATOM 0 HD11 LEU A 61 155.106 -1.701 0.684 1.00 0.76 H new ATOM 0 HD12 LEU A 61 154.063 -1.503 -0.744 1.00 0.76 H new ATOM 0 HD13 LEU A 61 154.388 -3.129 -0.098 1.00 0.76 H new ATOM 0 HD21 LEU A 61 157.376 -2.711 0.444 1.00 0.80 H new ATOM 0 HD22 LEU A 61 156.660 -4.139 -0.340 1.00 0.80 H new ATOM 0 HD23 LEU A 61 157.955 -3.231 -1.156 1.00 0.80 H new ATOM 1026 N GLN A 62 155.637 -3.972 -5.246 1.00 0.57 N ATOM 1027 CA GLN A 62 155.627 -5.045 -6.281 1.00 0.61 C ATOM 1028 C GLN A 62 156.857 -4.914 -7.181 1.00 0.59 C ATOM 1029 O GLN A 62 157.655 -5.822 -7.292 1.00 0.64 O ATOM 1030 CB GLN A 62 154.348 -4.810 -7.085 1.00 0.68 C ATOM 1031 CG GLN A 62 154.324 -5.748 -8.292 1.00 0.76 C ATOM 1032 CD GLN A 62 153.871 -7.140 -7.848 1.00 1.04 C ATOM 1033 OE1 GLN A 62 152.869 -7.280 -7.176 1.00 1.85 O ATOM 1034 NE2 GLN A 62 154.574 -8.184 -8.196 1.00 1.12 N ATOM 0 H GLN A 62 154.741 -3.510 -5.090 1.00 0.57 H new ATOM 0 HA GLN A 62 155.654 -6.043 -5.844 1.00 0.61 H new ATOM 0 HB2 GLN A 62 153.474 -4.985 -6.458 1.00 0.68 H new ATOM 0 HB3 GLN A 62 154.300 -3.773 -7.416 1.00 0.68 H new ATOM 0 HG2 GLN A 62 153.648 -5.360 -9.054 1.00 0.76 H new ATOM 0 HG3 GLN A 62 155.315 -5.803 -8.743 1.00 0.76 H new ATOM 0 HE21 GLN A 62 155.416 -8.067 -8.760 1.00 1.12 H new ATOM 0 HE22 GLN A 62 154.282 -9.116 -7.903 1.00 1.12 H new ATOM 1043 N GLN A 63 157.020 -3.788 -7.820 1.00 0.56 N ATOM 1044 CA GLN A 63 158.204 -3.602 -8.706 1.00 0.59 C ATOM 1045 C GLN A 63 159.466 -4.094 -7.992 1.00 0.56 C ATOM 1046 O GLN A 63 160.381 -4.604 -8.607 1.00 0.56 O ATOM 1047 CB GLN A 63 158.277 -2.095 -8.957 1.00 0.61 C ATOM 1048 CG GLN A 63 158.455 -1.833 -10.453 1.00 0.95 C ATOM 1049 CD GLN A 63 157.152 -1.282 -11.035 1.00 1.41 C ATOM 1050 OE1 GLN A 63 157.168 -0.370 -11.838 1.00 1.75 O ATOM 1051 NE2 GLN A 63 156.014 -1.800 -10.659 1.00 1.72 N ATOM 0 H GLN A 63 156.386 -2.991 -7.767 1.00 0.56 H new ATOM 0 HA GLN A 63 158.123 -4.162 -9.638 1.00 0.59 H new ATOM 0 HB2 GLN A 63 157.368 -1.612 -8.598 1.00 0.61 H new ATOM 0 HB3 GLN A 63 159.109 -1.663 -8.400 1.00 0.61 H new ATOM 0 HG2 GLN A 63 159.266 -1.123 -10.614 1.00 0.95 H new ATOM 0 HG3 GLN A 63 158.732 -2.755 -10.964 1.00 0.95 H new ATOM 0 HE21 GLN A 63 156.000 -2.566 -9.985 1.00 1.72 H new ATOM 0 HE22 GLN A 63 155.139 -1.439 -11.039 1.00 1.72 H new ATOM 1060 N ASP A 64 159.516 -3.949 -6.695 1.00 0.55 N ATOM 1061 CA ASP A 64 160.712 -4.414 -5.936 1.00 0.54 C ATOM 1062 C ASP A 64 160.683 -5.938 -5.805 1.00 0.50 C ATOM 1063 O ASP A 64 161.697 -6.577 -5.602 1.00 0.51 O ATOM 1064 CB ASP A 64 160.588 -3.756 -4.562 1.00 0.53 C ATOM 1065 CG ASP A 64 161.891 -3.030 -4.223 1.00 0.79 C ATOM 1066 OD1 ASP A 64 162.920 -3.684 -4.196 1.00 1.43 O ATOM 1067 OD2 ASP A 64 161.837 -1.833 -3.996 1.00 1.21 O ATOM 0 H ASP A 64 158.780 -3.528 -6.128 1.00 0.55 H new ATOM 0 HA ASP A 64 161.648 -4.151 -6.429 1.00 0.54 H new ATOM 0 HB2 ASP A 64 159.756 -3.052 -4.558 1.00 0.53 H new ATOM 0 HB3 ASP A 64 160.372 -4.509 -3.805 1.00 0.53 H new ATOM 1072 N ILE A 65 159.523 -6.524 -5.928 1.00 0.49 N ATOM 1073 CA ILE A 65 159.418 -8.007 -5.821 1.00 0.50 C ATOM 1074 C ILE A 65 159.817 -8.641 -7.155 1.00 0.54 C ATOM 1075 O ILE A 65 160.609 -9.561 -7.206 1.00 0.53 O ATOM 1076 CB ILE A 65 157.946 -8.302 -5.506 1.00 0.52 C ATOM 1077 CG1 ILE A 65 157.383 -7.245 -4.549 1.00 0.51 C ATOM 1078 CG2 ILE A 65 157.836 -9.678 -4.845 1.00 0.56 C ATOM 1079 CD1 ILE A 65 156.020 -7.710 -4.026 1.00 0.53 C ATOM 0 H ILE A 65 158.642 -6.039 -6.098 1.00 0.49 H new ATOM 0 HA ILE A 65 160.074 -8.412 -5.050 1.00 0.50 H new ATOM 0 HB ILE A 65 157.377 -8.283 -6.436 1.00 0.52 H new ATOM 0 HG12 ILE A 65 158.070 -7.088 -3.718 1.00 0.51 H new ATOM 0 HG13 ILE A 65 157.281 -6.289 -5.063 1.00 0.51 H new ATOM 0 HG21 ILE A 65 156.791 -9.891 -4.620 1.00 0.56 H new ATOM 0 HG22 ILE A 65 158.224 -10.439 -5.522 1.00 0.56 H new ATOM 0 HG23 ILE A 65 158.415 -9.685 -3.922 1.00 0.56 H new ATOM 0 HD11 ILE A 65 155.617 -6.961 -3.345 1.00 0.53 H new ATOM 0 HD12 ILE A 65 155.336 -7.845 -4.864 1.00 0.53 H new ATOM 0 HD13 ILE A 65 156.137 -8.656 -3.497 1.00 0.53 H new ATOM 1091 N ASP A 66 159.279 -8.148 -8.238 1.00 0.60 N ATOM 1092 CA ASP A 66 159.635 -8.714 -9.569 1.00 0.67 C ATOM 1093 C ASP A 66 161.128 -8.511 -9.828 1.00 0.62 C ATOM 1094 O ASP A 66 161.805 -9.381 -10.339 1.00 0.61 O ATOM 1095 CB ASP A 66 158.800 -7.921 -10.575 1.00 0.76 C ATOM 1096 CG ASP A 66 157.523 -8.697 -10.903 1.00 1.20 C ATOM 1097 OD1 ASP A 66 156.990 -9.328 -10.005 1.00 1.61 O ATOM 1098 OD2 ASP A 66 157.101 -8.648 -12.046 1.00 2.02 O ATOM 0 H ASP A 66 158.609 -7.379 -8.258 1.00 0.60 H new ATOM 0 HA ASP A 66 159.436 -9.784 -9.638 1.00 0.67 H new ATOM 0 HB2 ASP A 66 158.549 -6.943 -10.164 1.00 0.76 H new ATOM 0 HB3 ASP A 66 159.376 -7.746 -11.484 1.00 0.76 H new ATOM 1103 N ASP A 67 161.649 -7.368 -9.469 1.00 0.62 N ATOM 1104 CA ASP A 67 163.100 -7.111 -9.683 1.00 0.60 C ATOM 1105 C ASP A 67 163.925 -8.146 -8.915 1.00 0.54 C ATOM 1106 O ASP A 67 164.780 -8.810 -9.468 1.00 0.55 O ATOM 1107 CB ASP A 67 163.340 -5.705 -9.128 1.00 0.62 C ATOM 1108 CG ASP A 67 164.816 -5.334 -9.288 1.00 0.91 C ATOM 1109 OD1 ASP A 67 165.600 -5.721 -8.438 1.00 1.60 O ATOM 1110 OD2 ASP A 67 165.137 -4.668 -10.259 1.00 1.58 O ATOM 0 H ASP A 67 161.132 -6.602 -9.037 1.00 0.62 H new ATOM 0 HA ASP A 67 163.390 -7.183 -10.731 1.00 0.60 H new ATOM 0 HB2 ASP A 67 162.714 -4.984 -9.654 1.00 0.62 H new ATOM 0 HB3 ASP A 67 163.057 -5.665 -8.076 1.00 0.62 H new ATOM 1115 N LEU A 68 163.666 -8.298 -7.644 1.00 0.54 N ATOM 1116 CA LEU A 68 164.427 -9.299 -6.844 1.00 0.51 C ATOM 1117 C LEU A 68 164.201 -10.698 -7.421 1.00 0.52 C ATOM 1118 O LEU A 68 165.119 -11.480 -7.565 1.00 0.52 O ATOM 1119 CB LEU A 68 163.853 -9.202 -5.431 1.00 0.51 C ATOM 1120 CG LEU A 68 164.394 -7.947 -4.743 1.00 0.62 C ATOM 1121 CD1 LEU A 68 163.575 -7.658 -3.484 1.00 0.63 C ATOM 1122 CD2 LEU A 68 165.857 -8.170 -4.355 1.00 0.68 C ATOM 0 H LEU A 68 162.961 -7.773 -7.126 1.00 0.54 H new ATOM 0 HA LEU A 68 165.501 -9.113 -6.855 1.00 0.51 H new ATOM 0 HB2 LEU A 68 162.764 -9.166 -5.471 1.00 0.51 H new ATOM 0 HB3 LEU A 68 164.122 -10.089 -4.857 1.00 0.51 H new ATOM 0 HG LEU A 68 164.321 -7.101 -5.426 1.00 0.62 H new ATOM 0 HD11 LEU A 68 163.962 -6.764 -2.995 1.00 0.63 H new ATOM 0 HD12 LEU A 68 162.532 -7.500 -3.757 1.00 0.63 H new ATOM 0 HD13 LEU A 68 163.647 -8.504 -2.801 1.00 0.63 H new ATOM 0 HD21 LEU A 68 166.244 -7.277 -3.865 1.00 0.68 H new ATOM 0 HD22 LEU A 68 165.927 -9.017 -3.673 1.00 0.68 H new ATOM 0 HD23 LEU A 68 166.444 -8.375 -5.250 1.00 0.68 H new ATOM 1134 N LYS A 69 162.981 -11.017 -7.758 1.00 0.58 N ATOM 1135 CA LYS A 69 162.694 -12.361 -8.333 1.00 0.65 C ATOM 1136 C LYS A 69 163.727 -12.695 -9.411 1.00 0.62 C ATOM 1137 O LYS A 69 164.335 -13.749 -9.403 1.00 0.64 O ATOM 1138 CB LYS A 69 161.300 -12.233 -8.950 1.00 0.80 C ATOM 1139 CG LYS A 69 160.446 -13.433 -8.541 1.00 0.89 C ATOM 1140 CD LYS A 69 159.050 -13.296 -9.152 1.00 1.40 C ATOM 1141 CE LYS A 69 158.003 -13.757 -8.136 1.00 1.60 C ATOM 1142 NZ LYS A 69 157.472 -15.035 -8.685 1.00 2.20 N ATOM 0 H LYS A 69 162.171 -10.405 -7.660 1.00 0.58 H new ATOM 0 HA LYS A 69 162.739 -13.154 -7.587 1.00 0.65 H new ATOM 0 HB2 LYS A 69 160.828 -11.308 -8.618 1.00 0.80 H new ATOM 0 HB3 LYS A 69 161.375 -12.181 -10.036 1.00 0.80 H new ATOM 0 HG2 LYS A 69 160.914 -14.358 -8.879 1.00 0.89 H new ATOM 0 HG3 LYS A 69 160.375 -13.490 -7.455 1.00 0.89 H new ATOM 0 HD2 LYS A 69 158.865 -12.260 -9.436 1.00 1.40 H new ATOM 0 HD3 LYS A 69 158.979 -13.893 -10.061 1.00 1.40 H new ATOM 0 HE2 LYS A 69 158.446 -13.904 -7.151 1.00 1.60 H new ATOM 0 HE3 LYS A 69 157.211 -13.017 -8.022 1.00 1.60 H new ATOM 0 HZ1 LYS A 69 156.747 -15.414 -8.043 1.00 2.20 H new ATOM 0 HZ2 LYS A 69 157.050 -14.863 -9.620 1.00 2.20 H new ATOM 0 HZ3 LYS A 69 158.247 -15.722 -8.776 1.00 2.20 H new ATOM 1156 N ARG A 70 163.930 -11.800 -10.338 1.00 0.63 N ATOM 1157 CA ARG A 70 164.922 -12.054 -11.421 1.00 0.65 C ATOM 1158 C ARG A 70 166.317 -12.266 -10.825 1.00 0.58 C ATOM 1159 O ARG A 70 167.077 -13.094 -11.285 1.00 0.58 O ATOM 1160 CB ARG A 70 164.895 -10.791 -12.282 1.00 0.73 C ATOM 1161 CG ARG A 70 164.194 -11.090 -13.609 1.00 1.29 C ATOM 1162 CD ARG A 70 165.158 -11.828 -14.541 1.00 1.30 C ATOM 1163 NE ARG A 70 164.896 -11.258 -15.892 1.00 1.67 N ATOM 1164 CZ ARG A 70 164.965 -12.023 -16.947 1.00 2.27 C ATOM 1165 NH1 ARG A 70 165.922 -12.904 -17.053 1.00 3.01 N ATOM 1166 NH2 ARG A 70 164.076 -11.907 -17.895 1.00 2.72 N ATOM 0 H ARG A 70 163.451 -10.901 -10.392 1.00 0.63 H new ATOM 0 HA ARG A 70 164.685 -12.949 -11.997 1.00 0.65 H new ATOM 0 HB2 ARG A 70 164.374 -9.991 -11.756 1.00 0.73 H new ATOM 0 HB3 ARG A 70 165.911 -10.442 -12.466 1.00 0.73 H new ATOM 0 HG2 ARG A 70 163.305 -11.696 -13.434 1.00 1.29 H new ATOM 0 HG3 ARG A 70 163.861 -10.162 -14.074 1.00 1.29 H new ATOM 0 HD2 ARG A 70 166.194 -11.673 -14.241 1.00 1.30 H new ATOM 0 HD3 ARG A 70 164.979 -12.903 -14.524 1.00 1.30 H new ATOM 0 HE ARG A 70 164.663 -10.270 -15.992 1.00 1.67 H new ATOM 0 HH11 ARG A 70 166.616 -12.995 -16.311 1.00 3.01 H new ATOM 0 HH12 ARG A 70 165.976 -13.502 -17.878 1.00 3.01 H new ATOM 0 HH21 ARG A 70 163.328 -11.219 -17.811 1.00 2.72 H new ATOM 0 HH22 ARG A 70 164.129 -12.505 -18.720 1.00 2.72 H new ATOM 1180 N GLN A 71 166.663 -11.522 -9.810 1.00 0.52 N ATOM 1181 CA GLN A 71 168.015 -11.685 -9.197 1.00 0.49 C ATOM 1182 C GLN A 71 168.231 -13.133 -8.743 1.00 0.45 C ATOM 1183 O GLN A 71 168.865 -13.910 -9.425 1.00 0.48 O ATOM 1184 CB GLN A 71 168.030 -10.734 -8.001 1.00 0.45 C ATOM 1185 CG GLN A 71 168.164 -9.294 -8.499 1.00 0.80 C ATOM 1186 CD GLN A 71 169.632 -8.999 -8.811 1.00 0.99 C ATOM 1187 OE1 GLN A 71 170.189 -9.546 -9.743 1.00 1.89 O ATOM 1188 NE2 GLN A 71 170.288 -8.152 -8.066 1.00 1.51 N ATOM 0 H GLN A 71 166.072 -10.811 -9.379 1.00 0.52 H new ATOM 0 HA GLN A 71 168.813 -11.459 -9.904 1.00 0.49 H new ATOM 0 HB2 GLN A 71 167.114 -10.846 -7.421 1.00 0.45 H new ATOM 0 HB3 GLN A 71 168.859 -10.980 -7.337 1.00 0.45 H new ATOM 0 HG2 GLN A 71 167.555 -9.148 -9.391 1.00 0.80 H new ATOM 0 HG3 GLN A 71 167.795 -8.600 -7.744 1.00 0.80 H new ATOM 0 HE21 GLN A 71 169.821 -7.693 -7.284 1.00 1.51 H new ATOM 0 HE22 GLN A 71 171.267 -7.949 -8.266 1.00 1.51 H new ATOM 1197 N ASN A 72 167.722 -13.494 -7.592 1.00 0.42 N ATOM 1198 CA ASN A 72 167.899 -14.888 -7.082 1.00 0.42 C ATOM 1199 C ASN A 72 167.853 -15.898 -8.234 1.00 0.49 C ATOM 1200 O ASN A 72 168.493 -16.930 -8.193 1.00 0.54 O ATOM 1201 CB ASN A 72 166.719 -15.105 -6.129 1.00 0.44 C ATOM 1202 CG ASN A 72 166.507 -16.603 -5.896 1.00 0.54 C ATOM 1203 OD1 ASN A 72 167.538 -17.403 -5.897 1.00 0.96 O flip ATOM 1204 ND2 ASN A 72 165.392 -17.050 -5.714 1.00 0.71 N flip ATOM 0 H ASN A 72 167.187 -12.878 -6.979 1.00 0.42 H new ATOM 0 HA ASN A 72 168.861 -15.026 -6.589 1.00 0.42 H new ATOM 0 HB2 ASN A 72 166.910 -14.604 -5.180 1.00 0.44 H new ATOM 0 HB3 ASN A 72 165.816 -14.662 -6.548 1.00 0.44 H new ATOM 0 HD21 ASN A 72 164.586 -16.425 -5.713 1.00 0.71 H new ATOM 0 HD22 ASN A 72 165.262 -18.050 -5.562 1.00 0.71 H new ATOM 1211 N ALA A 73 167.101 -15.609 -9.259 1.00 0.53 N ATOM 1212 CA ALA A 73 167.020 -16.555 -10.408 1.00 0.61 C ATOM 1213 C ALA A 73 168.298 -16.478 -11.250 1.00 0.58 C ATOM 1214 O ALA A 73 168.779 -17.472 -11.761 1.00 0.60 O ATOM 1215 CB ALA A 73 165.814 -16.083 -11.221 1.00 0.69 C ATOM 0 H ALA A 73 166.541 -14.762 -9.351 1.00 0.53 H new ATOM 0 HA ALA A 73 166.916 -17.591 -10.085 1.00 0.61 H new ATOM 0 HB1 ALA A 73 165.685 -16.730 -12.089 1.00 0.69 H new ATOM 0 HB2 ALA A 73 164.919 -16.124 -10.601 1.00 0.69 H new ATOM 0 HB3 ALA A 73 165.978 -15.058 -11.554 1.00 0.69 H new ATOM 1221 N LEU A 74 168.847 -15.305 -11.401 1.00 0.56 N ATOM 1222 CA LEU A 74 170.088 -15.159 -12.214 1.00 0.57 C ATOM 1223 C LEU A 74 171.325 -15.564 -11.404 1.00 0.51 C ATOM 1224 O LEU A 74 172.236 -16.177 -11.922 1.00 0.56 O ATOM 1225 CB LEU A 74 170.144 -13.676 -12.580 1.00 0.62 C ATOM 1226 CG LEU A 74 169.481 -13.460 -13.942 1.00 1.10 C ATOM 1227 CD1 LEU A 74 168.128 -14.174 -13.973 1.00 1.69 C ATOM 1228 CD2 LEU A 74 169.271 -11.962 -14.173 1.00 1.84 C ATOM 0 H LEU A 74 168.490 -14.440 -10.996 1.00 0.56 H new ATOM 0 HA LEU A 74 170.076 -15.801 -13.095 1.00 0.57 H new ATOM 0 HB2 LEU A 74 169.637 -13.083 -11.819 1.00 0.62 H new ATOM 0 HB3 LEU A 74 171.179 -13.337 -12.610 1.00 0.62 H new ATOM 0 HG LEU A 74 170.122 -13.864 -14.725 1.00 1.10 H new ATOM 0 HD11 LEU A 74 167.657 -14.019 -14.944 1.00 1.69 H new ATOM 0 HD12 LEU A 74 168.276 -15.241 -13.807 1.00 1.69 H new ATOM 0 HD13 LEU A 74 167.486 -13.771 -13.190 1.00 1.69 H new ATOM 0 HD21 LEU A 74 168.799 -11.806 -15.143 1.00 1.84 H new ATOM 0 HD22 LEU A 74 168.630 -11.559 -13.389 1.00 1.84 H new ATOM 0 HD23 LEU A 74 170.234 -11.452 -14.152 1.00 1.84 H new ATOM 1240 N LEU A 75 171.374 -15.231 -10.140 1.00 0.44 N ATOM 1241 CA LEU A 75 172.567 -15.614 -9.329 1.00 0.40 C ATOM 1242 C LEU A 75 172.675 -17.138 -9.253 1.00 0.41 C ATOM 1243 O LEU A 75 173.746 -17.701 -9.363 1.00 0.44 O ATOM 1244 CB LEU A 75 172.328 -15.029 -7.937 1.00 0.38 C ATOM 1245 CG LEU A 75 172.355 -13.502 -7.997 1.00 0.46 C ATOM 1246 CD1 LEU A 75 170.926 -12.968 -8.048 1.00 0.45 C ATOM 1247 CD2 LEU A 75 173.050 -12.962 -6.746 1.00 0.54 C ATOM 0 H LEU A 75 170.649 -14.717 -9.640 1.00 0.44 H new ATOM 0 HA LEU A 75 173.493 -15.240 -9.765 1.00 0.40 H new ATOM 0 HB2 LEU A 75 171.367 -15.369 -7.552 1.00 0.38 H new ATOM 0 HB3 LEU A 75 173.092 -15.387 -7.247 1.00 0.38 H new ATOM 0 HG LEU A 75 172.895 -13.182 -8.888 1.00 0.46 H new ATOM 0 HD11 LEU A 75 170.946 -11.879 -8.091 1.00 0.45 H new ATOM 0 HD12 LEU A 75 170.424 -13.357 -8.934 1.00 0.45 H new ATOM 0 HD13 LEU A 75 170.387 -13.286 -7.156 1.00 0.45 H new ATOM 0 HD21 LEU A 75 173.072 -11.873 -6.784 1.00 0.54 H new ATOM 0 HD22 LEU A 75 172.504 -13.284 -5.859 1.00 0.54 H new ATOM 0 HD23 LEU A 75 174.070 -13.344 -6.703 1.00 0.54 H new ATOM 1259 N GLU A 76 171.572 -17.811 -9.065 1.00 0.43 N ATOM 1260 CA GLU A 76 171.612 -19.300 -8.983 1.00 0.47 C ATOM 1261 C GLU A 76 172.011 -19.891 -10.337 1.00 0.51 C ATOM 1262 O GLU A 76 172.749 -20.856 -10.413 1.00 0.57 O ATOM 1263 CB GLU A 76 170.188 -19.715 -8.615 1.00 0.53 C ATOM 1264 CG GLU A 76 170.157 -21.214 -8.311 1.00 0.65 C ATOM 1265 CD GLU A 76 169.081 -21.500 -7.262 1.00 0.78 C ATOM 1266 OE1 GLU A 76 169.030 -20.776 -6.281 1.00 1.65 O ATOM 1267 OE2 GLU A 76 168.326 -22.439 -7.458 1.00 0.92 O ATOM 0 H GLU A 76 170.646 -17.395 -8.965 1.00 0.43 H new ATOM 0 HA GLU A 76 172.340 -19.655 -8.254 1.00 0.47 H new ATOM 0 HB2 GLU A 76 169.846 -19.150 -7.748 1.00 0.53 H new ATOM 0 HB3 GLU A 76 169.507 -19.485 -9.435 1.00 0.53 H new ATOM 0 HG2 GLU A 76 169.951 -21.776 -9.222 1.00 0.65 H new ATOM 0 HG3 GLU A 76 171.131 -21.542 -7.947 1.00 0.65 H new ATOM 1274 N GLN A 77 171.535 -19.316 -11.410 1.00 0.51 N ATOM 1275 CA GLN A 77 171.894 -19.843 -12.758 1.00 0.58 C ATOM 1276 C GLN A 77 173.365 -19.548 -13.068 1.00 0.58 C ATOM 1277 O GLN A 77 173.888 -19.952 -14.088 1.00 0.63 O ATOM 1278 CB GLN A 77 170.981 -19.101 -13.734 1.00 0.62 C ATOM 1279 CG GLN A 77 171.205 -19.638 -15.149 1.00 0.74 C ATOM 1280 CD GLN A 77 170.757 -21.099 -15.220 1.00 1.26 C ATOM 1281 OE1 GLN A 77 169.739 -21.461 -14.664 1.00 1.80 O ATOM 1282 NE2 GLN A 77 171.479 -21.960 -15.884 1.00 1.88 N ATOM 0 H GLN A 77 170.915 -18.506 -11.411 1.00 0.51 H new ATOM 0 HA GLN A 77 171.766 -20.923 -12.824 1.00 0.58 H new ATOM 0 HB2 GLN A 77 169.938 -19.232 -13.445 1.00 0.62 H new ATOM 0 HB3 GLN A 77 171.189 -18.032 -13.702 1.00 0.62 H new ATOM 0 HG2 GLN A 77 170.646 -19.040 -15.869 1.00 0.74 H new ATOM 0 HG3 GLN A 77 172.258 -19.557 -15.417 1.00 0.74 H new ATOM 0 HE21 GLN A 77 172.334 -21.656 -16.351 1.00 1.88 H new ATOM 0 HE22 GLN A 77 171.189 -22.936 -15.936 1.00 1.88 H new ATOM 1291 N GLN A 78 174.046 -18.869 -12.185 1.00 0.59 N ATOM 1292 CA GLN A 78 175.484 -18.573 -12.422 1.00 0.64 C ATOM 1293 C GLN A 78 176.299 -19.524 -11.561 1.00 0.60 C ATOM 1294 O GLN A 78 177.217 -20.177 -12.016 1.00 0.63 O ATOM 1295 CB GLN A 78 175.681 -17.124 -11.976 1.00 0.69 C ATOM 1296 CG GLN A 78 177.114 -16.684 -12.285 1.00 0.67 C ATOM 1297 CD GLN A 78 177.166 -16.060 -13.681 1.00 0.83 C ATOM 1298 OE1 GLN A 78 176.427 -16.452 -14.562 1.00 1.37 O ATOM 1299 NE2 GLN A 78 178.015 -15.099 -13.922 1.00 1.56 N ATOM 0 H GLN A 78 173.667 -18.507 -11.310 1.00 0.59 H new ATOM 0 HA GLN A 78 175.792 -18.698 -13.460 1.00 0.64 H new ATOM 0 HB2 GLN A 78 174.972 -16.475 -12.489 1.00 0.69 H new ATOM 0 HB3 GLN A 78 175.483 -17.031 -10.908 1.00 0.69 H new ATOM 0 HG2 GLN A 78 177.453 -15.964 -11.540 1.00 0.67 H new ATOM 0 HG3 GLN A 78 177.788 -17.539 -12.232 1.00 0.67 H new ATOM 0 HE21 GLN A 78 178.636 -14.769 -13.183 1.00 1.56 H new ATOM 0 HE22 GLN A 78 178.058 -14.677 -14.850 1.00 1.56 H new ATOM 1308 N VAL A 79 175.927 -19.632 -10.321 1.00 0.59 N ATOM 1309 CA VAL A 79 176.620 -20.567 -9.410 1.00 0.60 C ATOM 1310 C VAL A 79 176.712 -21.939 -10.089 1.00 0.63 C ATOM 1311 O VAL A 79 177.646 -22.688 -9.882 1.00 0.68 O ATOM 1312 CB VAL A 79 175.717 -20.584 -8.167 1.00 0.64 C ATOM 1313 CG1 VAL A 79 175.552 -22.004 -7.631 1.00 0.73 C ATOM 1314 CG2 VAL A 79 176.342 -19.708 -7.079 1.00 0.72 C ATOM 0 H VAL A 79 175.163 -19.105 -9.898 1.00 0.59 H new ATOM 0 HA VAL A 79 177.642 -20.287 -9.154 1.00 0.60 H new ATOM 0 HB VAL A 79 174.736 -20.201 -8.447 1.00 0.64 H new ATOM 0 HG11 VAL A 79 174.909 -21.988 -6.751 1.00 0.73 H new ATOM 0 HG12 VAL A 79 175.101 -22.633 -8.399 1.00 0.73 H new ATOM 0 HG13 VAL A 79 176.528 -22.406 -7.359 1.00 0.73 H new ATOM 0 HG21 VAL A 79 175.705 -19.717 -6.195 1.00 0.72 H new ATOM 0 HG22 VAL A 79 177.327 -20.096 -6.821 1.00 0.72 H new ATOM 0 HG23 VAL A 79 176.440 -18.686 -7.446 1.00 0.72 H new ATOM 1741 N ILE B 19 129.934 14.081 5.057 1.00 1.19 N ATOM 1742 CA ILE B 19 130.226 12.804 4.348 1.00 1.05 C ATOM 1743 C ILE B 19 130.533 13.085 2.875 1.00 0.94 C ATOM 1744 O ILE B 19 131.677 13.083 2.469 1.00 0.95 O ATOM 1745 CB ILE B 19 128.955 11.972 4.494 1.00 1.28 C ATOM 1746 CG1 ILE B 19 128.723 11.661 5.982 1.00 1.91 C ATOM 1747 CG2 ILE B 19 129.115 10.672 3.712 1.00 1.51 C ATOM 1748 CD1 ILE B 19 129.281 10.274 6.328 1.00 1.99 C ATOM 0 HA ILE B 19 131.093 12.285 4.757 1.00 1.05 H new ATOM 0 HB ILE B 19 128.101 12.525 4.104 1.00 1.28 H new ATOM 0 HG12 ILE B 19 129.206 12.419 6.599 1.00 1.91 H new ATOM 0 HG13 ILE B 19 127.657 11.698 6.207 1.00 1.91 H new ATOM 0 HG21 ILE B 19 128.210 10.073 3.813 1.00 1.51 H new ATOM 0 HG22 ILE B 19 129.285 10.899 2.660 1.00 1.51 H new ATOM 0 HG23 ILE B 19 129.965 10.114 4.104 1.00 1.51 H new ATOM 0 HD11 ILE B 19 129.110 10.066 7.384 1.00 1.99 H new ATOM 0 HD12 ILE B 19 128.779 9.519 5.724 1.00 1.99 H new ATOM 0 HD13 ILE B 19 130.351 10.251 6.122 1.00 1.99 H new ATOM 1760 N LYS B 20 129.514 13.321 2.083 1.00 0.98 N ATOM 1761 CA LYS B 20 129.719 13.612 0.625 1.00 1.01 C ATOM 1762 C LYS B 20 131.081 14.270 0.380 1.00 0.95 C ATOM 1763 O LYS B 20 131.775 13.950 -0.565 1.00 0.98 O ATOM 1764 CB LYS B 20 128.597 14.574 0.251 1.00 1.24 C ATOM 1765 CG LYS B 20 127.336 13.775 -0.076 1.00 1.39 C ATOM 1766 CD LYS B 20 126.546 14.499 -1.166 1.00 1.83 C ATOM 1767 CE LYS B 20 125.891 15.747 -0.573 1.00 2.31 C ATOM 1768 NZ LYS B 20 124.428 15.529 -0.737 1.00 2.83 N ATOM 0 H LYS B 20 128.540 13.325 2.386 1.00 0.98 H new ATOM 0 HA LYS B 20 129.702 12.700 0.029 1.00 1.01 H new ATOM 0 HB2 LYS B 20 128.403 15.262 1.074 1.00 1.24 H new ATOM 0 HB3 LYS B 20 128.891 15.178 -0.607 1.00 1.24 H new ATOM 0 HG2 LYS B 20 127.604 12.773 -0.410 1.00 1.39 H new ATOM 0 HG3 LYS B 20 126.723 13.660 0.818 1.00 1.39 H new ATOM 0 HD2 LYS B 20 127.208 14.777 -1.987 1.00 1.83 H new ATOM 0 HD3 LYS B 20 125.785 13.837 -1.580 1.00 1.83 H new ATOM 0 HE2 LYS B 20 126.156 15.871 0.477 1.00 2.31 H new ATOM 0 HE3 LYS B 20 126.216 16.648 -1.093 1.00 2.31 H new ATOM 0 HZ1 LYS B 20 123.910 16.345 -0.353 1.00 2.83 H new ATOM 0 HZ2 LYS B 20 124.204 15.421 -1.747 1.00 2.83 H new ATOM 0 HZ3 LYS B 20 124.146 14.668 -0.226 1.00 2.83 H new ATOM 1782 N ASP B 21 131.484 15.176 1.230 1.00 0.95 N ATOM 1783 CA ASP B 21 132.815 15.814 1.033 1.00 1.01 C ATOM 1784 C ASP B 21 133.875 14.713 1.014 1.00 0.99 C ATOM 1785 O ASP B 21 134.526 14.475 0.012 1.00 1.03 O ATOM 1786 CB ASP B 21 133.006 16.738 2.236 1.00 1.16 C ATOM 1787 CG ASP B 21 133.214 18.174 1.748 1.00 2.09 C ATOM 1788 OD1 ASP B 21 132.713 18.494 0.681 1.00 2.71 O ATOM 1789 OD2 ASP B 21 133.870 18.928 2.448 1.00 2.72 O ATOM 0 H ASP B 21 130.957 15.498 2.042 1.00 0.95 H new ATOM 0 HA ASP B 21 132.893 16.374 0.101 1.00 1.01 H new ATOM 0 HB2 ASP B 21 132.135 16.687 2.889 1.00 1.16 H new ATOM 0 HB3 ASP B 21 133.865 16.414 2.824 1.00 1.16 H new ATOM 1794 N SER B 22 134.025 14.008 2.104 1.00 1.00 N ATOM 1795 CA SER B 22 135.011 12.896 2.127 1.00 1.09 C ATOM 1796 C SER B 22 134.679 11.942 0.982 1.00 1.00 C ATOM 1797 O SER B 22 135.542 11.515 0.240 1.00 1.03 O ATOM 1798 CB SER B 22 134.816 12.212 3.480 1.00 1.27 C ATOM 1799 OG SER B 22 135.922 12.514 4.321 1.00 1.82 O ATOM 0 H SER B 22 133.510 14.155 2.972 1.00 1.00 H new ATOM 0 HA SER B 22 136.042 13.227 2.005 1.00 1.09 H new ATOM 0 HB2 SER B 22 133.889 12.552 3.942 1.00 1.27 H new ATOM 0 HB3 SER B 22 134.729 11.134 3.347 1.00 1.27 H new ATOM 0 HG SER B 22 135.800 12.079 5.191 1.00 1.82 H new ATOM 1805 N PHE B 23 133.419 11.637 0.815 1.00 0.95 N ATOM 1806 CA PHE B 23 133.009 10.746 -0.304 1.00 0.96 C ATOM 1807 C PHE B 23 133.729 11.193 -1.569 1.00 0.86 C ATOM 1808 O PHE B 23 134.497 10.461 -2.161 1.00 0.89 O ATOM 1809 CB PHE B 23 131.513 10.992 -0.467 1.00 1.07 C ATOM 1810 CG PHE B 23 130.708 10.031 0.368 1.00 0.83 C ATOM 1811 CD1 PHE B 23 131.215 9.512 1.566 1.00 1.34 C ATOM 1812 CD2 PHE B 23 129.424 9.678 -0.054 1.00 1.52 C ATOM 1813 CE1 PHE B 23 130.426 8.647 2.328 1.00 1.35 C ATOM 1814 CE2 PHE B 23 128.649 8.811 0.707 1.00 1.62 C ATOM 1815 CZ PHE B 23 129.148 8.300 1.900 1.00 1.03 C ATOM 0 H PHE B 23 132.657 11.968 1.407 1.00 0.95 H new ATOM 0 HA PHE B 23 133.241 9.697 -0.119 1.00 0.96 H new ATOM 0 HB2 PHE B 23 131.277 12.016 -0.177 1.00 1.07 H new ATOM 0 HB3 PHE B 23 131.237 10.886 -1.516 1.00 1.07 H new ATOM 0 HD1 PHE B 23 132.208 9.778 1.898 1.00 1.34 H new ATOM 0 HD2 PHE B 23 129.032 10.081 -0.976 1.00 1.52 H new ATOM 0 HE1 PHE B 23 130.810 8.245 3.254 1.00 1.35 H new ATOM 0 HE2 PHE B 23 127.660 8.534 0.372 1.00 1.62 H new ATOM 0 HZ PHE B 23 128.543 7.633 2.496 1.00 1.03 H new ATOM 1825 N HIS B 24 133.482 12.411 -1.975 1.00 0.84 N ATOM 1826 CA HIS B 24 134.144 12.948 -3.193 1.00 0.88 C ATOM 1827 C HIS B 24 135.607 12.506 -3.221 1.00 0.86 C ATOM 1828 O HIS B 24 136.157 12.203 -4.263 1.00 0.87 O ATOM 1829 CB HIS B 24 134.041 14.466 -3.047 1.00 0.97 C ATOM 1830 CG HIS B 24 134.684 15.130 -4.231 1.00 1.36 C ATOM 1831 ND1 HIS B 24 135.973 15.635 -4.185 1.00 2.01 N ATOM 1832 CD2 HIS B 24 134.228 15.377 -5.501 1.00 1.95 C ATOM 1833 CE1 HIS B 24 136.247 16.156 -5.395 1.00 2.41 C ATOM 1834 NE2 HIS B 24 135.216 16.026 -6.235 1.00 2.34 N ATOM 0 H HIS B 24 132.846 13.058 -1.510 1.00 0.84 H new ATOM 0 HA HIS B 24 133.686 12.595 -4.117 1.00 0.88 H new ATOM 0 HB2 HIS B 24 132.995 14.764 -2.973 1.00 0.97 H new ATOM 0 HB3 HIS B 24 134.530 14.787 -2.127 1.00 0.97 H new ATOM 0 HD2 HIS B 24 133.251 15.109 -5.874 1.00 1.95 H new ATOM 0 HE1 HIS B 24 137.186 16.622 -5.655 1.00 2.41 H new ATOM 0 HE2 HIS B 24 135.164 16.336 -7.205 1.00 2.34 H new ATOM 1842 N SER B 25 136.238 12.459 -2.079 1.00 0.95 N ATOM 1843 CA SER B 25 137.666 12.030 -2.032 1.00 1.05 C ATOM 1844 C SER B 25 137.800 10.580 -2.512 1.00 0.93 C ATOM 1845 O SER B 25 138.711 10.244 -3.241 1.00 0.96 O ATOM 1846 CB SER B 25 138.068 12.155 -0.564 1.00 1.27 C ATOM 1847 OG SER B 25 139.278 12.897 -0.472 1.00 1.36 O ATOM 0 H SER B 25 135.827 12.699 -1.177 1.00 0.95 H new ATOM 0 HA SER B 25 138.302 12.634 -2.679 1.00 1.05 H new ATOM 0 HB2 SER B 25 137.279 12.652 0.000 1.00 1.27 H new ATOM 0 HB3 SER B 25 138.200 11.166 -0.125 1.00 1.27 H new ATOM 0 HG SER B 25 139.539 12.981 0.469 1.00 1.36 H new ATOM 1853 N LEU B 26 136.899 9.719 -2.117 1.00 0.92 N ATOM 1854 CA LEU B 26 136.985 8.297 -2.567 1.00 0.96 C ATOM 1855 C LEU B 26 136.538 8.190 -4.023 1.00 0.85 C ATOM 1856 O LEU B 26 137.130 7.486 -4.818 1.00 0.86 O ATOM 1857 CB LEU B 26 136.031 7.520 -1.659 1.00 1.12 C ATOM 1858 CG LEU B 26 136.684 7.322 -0.293 1.00 1.31 C ATOM 1859 CD1 LEU B 26 136.068 8.297 0.705 1.00 1.52 C ATOM 1860 CD2 LEU B 26 136.449 5.890 0.192 1.00 1.63 C ATOM 0 H LEU B 26 136.112 9.936 -1.506 1.00 0.92 H new ATOM 0 HA LEU B 26 138.001 7.907 -2.506 1.00 0.96 H new ATOM 0 HB2 LEU B 26 135.091 8.062 -1.551 1.00 1.12 H new ATOM 0 HB3 LEU B 26 135.792 6.554 -2.104 1.00 1.12 H new ATOM 0 HG LEU B 26 137.756 7.504 -0.376 1.00 1.31 H new ATOM 0 HD11 LEU B 26 136.531 8.159 1.682 1.00 1.52 H new ATOM 0 HD12 LEU B 26 136.235 9.319 0.365 1.00 1.52 H new ATOM 0 HD13 LEU B 26 134.997 8.111 0.782 1.00 1.52 H new ATOM 0 HD21 LEU B 26 136.917 5.755 1.167 1.00 1.63 H new ATOM 0 HD22 LEU B 26 135.378 5.705 0.275 1.00 1.63 H new ATOM 0 HD23 LEU B 26 136.884 5.189 -0.520 1.00 1.63 H new ATOM 1872 N ARG B 27 135.497 8.890 -4.378 1.00 0.86 N ATOM 1873 CA ARG B 27 135.008 8.841 -5.784 1.00 0.93 C ATOM 1874 C ARG B 27 136.186 8.978 -6.749 1.00 0.86 C ATOM 1875 O ARG B 27 136.308 8.241 -7.707 1.00 0.96 O ATOM 1876 CB ARG B 27 134.068 10.040 -5.908 1.00 1.07 C ATOM 1877 CG ARG B 27 132.688 9.571 -6.369 1.00 1.09 C ATOM 1878 CD ARG B 27 131.973 10.721 -7.081 1.00 1.11 C ATOM 1879 NE ARG B 27 132.454 10.654 -8.489 1.00 1.55 N ATOM 1880 CZ ARG B 27 131.867 11.360 -9.416 1.00 1.93 C ATOM 1881 NH1 ARG B 27 131.026 12.302 -9.087 1.00 2.45 N ATOM 1882 NH2 ARG B 27 132.122 11.124 -10.675 1.00 2.34 N ATOM 0 H ARG B 27 134.963 9.495 -3.754 1.00 0.86 H new ATOM 0 HA ARG B 27 134.507 7.903 -6.024 1.00 0.93 H new ATOM 0 HB2 ARG B 27 133.987 10.551 -4.948 1.00 1.07 H new ATOM 0 HB3 ARG B 27 134.474 10.760 -6.619 1.00 1.07 H new ATOM 0 HG2 ARG B 27 132.787 8.718 -7.041 1.00 1.09 H new ATOM 0 HG3 ARG B 27 132.101 9.237 -5.514 1.00 1.09 H new ATOM 0 HD2 ARG B 27 130.890 10.608 -7.027 1.00 1.11 H new ATOM 0 HD3 ARG B 27 132.216 11.681 -6.625 1.00 1.11 H new ATOM 0 HE ARG B 27 133.244 10.055 -8.729 1.00 1.55 H new ATOM 0 HH11 ARG B 27 130.827 12.487 -8.104 1.00 2.45 H new ATOM 0 HH12 ARG B 27 130.568 12.853 -9.813 1.00 2.45 H new ATOM 0 HH21 ARG B 27 132.780 10.388 -10.933 1.00 2.34 H new ATOM 0 HH22 ARG B 27 131.663 11.675 -11.400 1.00 2.34 H new ATOM 1896 N ASP B 28 137.060 9.913 -6.496 1.00 0.86 N ATOM 1897 CA ASP B 28 138.240 10.094 -7.389 1.00 0.89 C ATOM 1898 C ASP B 28 139.440 9.354 -6.801 1.00 0.82 C ATOM 1899 O ASP B 28 140.571 9.571 -7.190 1.00 0.86 O ATOM 1900 CB ASP B 28 138.495 11.601 -7.408 1.00 1.04 C ATOM 1901 CG ASP B 28 138.740 12.091 -5.980 1.00 1.25 C ATOM 1902 OD1 ASP B 28 139.633 11.562 -5.338 1.00 1.76 O ATOM 1903 OD2 ASP B 28 138.030 12.987 -5.552 1.00 1.66 O ATOM 0 H ASP B 28 137.008 10.560 -5.709 1.00 0.86 H new ATOM 0 HA ASP B 28 138.074 9.702 -8.392 1.00 0.89 H new ATOM 0 HB2 ASP B 28 139.357 11.828 -8.035 1.00 1.04 H new ATOM 0 HB3 ASP B 28 137.640 12.121 -7.841 1.00 1.04 H new ATOM 1908 N SER B 29 139.199 8.480 -5.864 1.00 0.76 N ATOM 1909 CA SER B 29 140.319 7.722 -5.247 1.00 0.76 C ATOM 1910 C SER B 29 140.545 6.419 -6.011 1.00 0.71 C ATOM 1911 O SER B 29 141.644 6.116 -6.428 1.00 0.76 O ATOM 1912 CB SER B 29 139.864 7.438 -3.815 1.00 0.83 C ATOM 1913 OG SER B 29 140.918 6.807 -3.095 1.00 1.24 O ATOM 0 H SER B 29 138.273 8.259 -5.499 1.00 0.76 H new ATOM 0 HA SER B 29 141.259 8.273 -5.269 1.00 0.76 H new ATOM 0 HB2 SER B 29 139.579 8.368 -3.322 1.00 0.83 H new ATOM 0 HB3 SER B 29 138.982 6.798 -3.823 1.00 0.83 H new ATOM 0 HG SER B 29 140.550 6.346 -2.312 1.00 1.24 H new ATOM 1919 N VAL B 30 139.514 5.647 -6.206 1.00 0.70 N ATOM 1920 CA VAL B 30 139.683 4.371 -6.948 1.00 0.72 C ATOM 1921 C VAL B 30 139.008 4.463 -8.317 1.00 0.75 C ATOM 1922 O VAL B 30 137.865 4.080 -8.473 1.00 0.79 O ATOM 1923 CB VAL B 30 139.002 3.318 -6.078 1.00 0.76 C ATOM 1924 CG1 VAL B 30 139.014 1.968 -6.801 1.00 0.85 C ATOM 1925 CG2 VAL B 30 139.758 3.195 -4.754 1.00 0.83 C ATOM 0 H VAL B 30 138.566 5.844 -5.885 1.00 0.70 H new ATOM 0 HA VAL B 30 140.731 4.131 -7.130 1.00 0.72 H new ATOM 0 HB VAL B 30 137.971 3.614 -5.886 1.00 0.76 H new ATOM 0 HG11 VAL B 30 138.527 1.217 -6.178 1.00 0.85 H new ATOM 0 HG12 VAL B 30 138.479 2.057 -7.747 1.00 0.85 H new ATOM 0 HG13 VAL B 30 140.044 1.667 -6.993 1.00 0.85 H new ATOM 0 HG21 VAL B 30 139.276 2.444 -4.128 1.00 0.83 H new ATOM 0 HG22 VAL B 30 140.788 2.897 -4.950 1.00 0.83 H new ATOM 0 HG23 VAL B 30 139.749 4.156 -4.239 1.00 0.83 H new ATOM 2095 N GLN B 42 127.991 3.413 -2.076 1.00 0.77 N ATOM 2096 CA GLN B 42 128.786 2.506 -2.951 1.00 0.96 C ATOM 2097 C GLN B 42 130.238 2.977 -3.010 1.00 0.95 C ATOM 2098 O GLN B 42 131.139 2.204 -3.276 1.00 1.18 O ATOM 2099 CB GLN B 42 128.136 2.600 -4.329 1.00 1.18 C ATOM 2100 CG GLN B 42 127.211 1.401 -4.542 1.00 1.42 C ATOM 2101 CD GLN B 42 127.801 0.489 -5.619 1.00 1.68 C ATOM 2102 OE1 GLN B 42 128.740 0.857 -6.296 1.00 2.48 O ATOM 2103 NE2 GLN B 42 127.287 -0.696 -5.807 1.00 1.73 N ATOM 0 HA GLN B 42 128.795 1.481 -2.580 1.00 0.96 H new ATOM 0 HB2 GLN B 42 127.570 3.528 -4.413 1.00 1.18 H new ATOM 0 HB3 GLN B 42 128.903 2.623 -5.103 1.00 1.18 H new ATOM 0 HG2 GLN B 42 127.091 0.850 -3.609 1.00 1.42 H new ATOM 0 HG3 GLN B 42 126.220 1.741 -4.841 1.00 1.42 H new ATOM 0 HE21 GLN B 42 126.499 -1.006 -5.239 1.00 1.73 H new ATOM 0 HE22 GLN B 42 127.674 -1.312 -6.522 1.00 1.73 H new ATOM 2112 N ILE B 43 130.483 4.232 -2.741 1.00 0.85 N ATOM 2113 CA ILE B 43 131.889 4.716 -2.763 1.00 0.92 C ATOM 2114 C ILE B 43 132.644 3.984 -1.666 1.00 0.82 C ATOM 2115 O ILE B 43 133.835 3.761 -1.738 1.00 0.75 O ATOM 2116 CB ILE B 43 131.826 6.214 -2.459 1.00 1.18 C ATOM 2117 CG1 ILE B 43 130.694 6.864 -3.266 1.00 1.66 C ATOM 2118 CG2 ILE B 43 133.162 6.857 -2.839 1.00 1.84 C ATOM 2119 CD1 ILE B 43 130.830 8.386 -3.213 1.00 2.40 C ATOM 0 H ILE B 43 129.779 4.933 -2.510 1.00 0.85 H new ATOM 0 HA ILE B 43 132.388 4.541 -3.716 1.00 0.92 H new ATOM 0 HB ILE B 43 131.633 6.362 -1.396 1.00 1.18 H new ATOM 0 HG12 ILE B 43 130.729 6.522 -4.300 1.00 1.66 H new ATOM 0 HG13 ILE B 43 129.727 6.562 -2.863 1.00 1.66 H new ATOM 0 HG21 ILE B 43 133.125 7.925 -2.625 1.00 1.84 H new ATOM 0 HG22 ILE B 43 133.964 6.398 -2.261 1.00 1.84 H new ATOM 0 HG23 ILE B 43 133.349 6.706 -3.902 1.00 1.84 H new ATOM 0 HD11 ILE B 43 130.024 8.843 -3.787 1.00 2.40 H new ATOM 0 HD12 ILE B 43 130.773 8.721 -2.177 1.00 2.40 H new ATOM 0 HD13 ILE B 43 131.790 8.680 -3.637 1.00 2.40 H new ATOM 2131 N LEU B 44 131.929 3.606 -0.649 1.00 0.90 N ATOM 2132 CA LEU B 44 132.544 2.875 0.486 1.00 0.90 C ATOM 2133 C LEU B 44 132.558 1.374 0.201 1.00 0.79 C ATOM 2134 O LEU B 44 133.550 0.706 0.411 1.00 0.73 O ATOM 2135 CB LEU B 44 131.637 3.203 1.661 1.00 0.99 C ATOM 2136 CG LEU B 44 131.747 4.692 1.953 1.00 0.91 C ATOM 2137 CD1 LEU B 44 130.403 5.346 1.671 1.00 0.84 C ATOM 2138 CD2 LEU B 44 132.144 4.910 3.420 1.00 1.55 C ATOM 0 H LEU B 44 130.928 3.776 -0.555 1.00 0.90 H new ATOM 0 HA LEU B 44 133.580 3.158 0.671 1.00 0.90 H new ATOM 0 HB2 LEU B 44 130.606 2.937 1.429 1.00 0.99 H new ATOM 0 HB3 LEU B 44 131.927 2.623 2.537 1.00 0.99 H new ATOM 0 HG LEU B 44 132.512 5.139 1.318 1.00 0.91 H new ATOM 0 HD11 LEU B 44 130.468 6.414 1.876 1.00 0.84 H new ATOM 0 HD12 LEU B 44 130.136 5.193 0.625 1.00 0.84 H new ATOM 0 HD13 LEU B 44 129.640 4.900 2.309 1.00 0.84 H new ATOM 0 HD21 LEU B 44 132.221 5.979 3.621 1.00 1.55 H new ATOM 0 HD22 LEU B 44 131.387 4.472 4.071 1.00 1.55 H new ATOM 0 HD23 LEU B 44 133.106 4.435 3.611 1.00 1.55 H new ATOM 2150 N ASP B 45 131.467 0.840 -0.286 1.00 0.91 N ATOM 2151 CA ASP B 45 131.432 -0.618 -0.595 1.00 0.87 C ATOM 2152 C ASP B 45 132.735 -1.011 -1.290 1.00 0.73 C ATOM 2153 O ASP B 45 133.383 -1.973 -0.926 1.00 0.66 O ATOM 2154 CB ASP B 45 130.238 -0.804 -1.531 1.00 1.04 C ATOM 2155 CG ASP B 45 129.312 -1.884 -0.968 1.00 1.80 C ATOM 2156 OD1 ASP B 45 129.783 -2.991 -0.765 1.00 2.42 O ATOM 2157 OD2 ASP B 45 128.150 -1.586 -0.748 1.00 2.49 O ATOM 0 H ASP B 45 130.605 1.348 -0.482 1.00 0.91 H new ATOM 0 HA ASP B 45 131.334 -1.239 0.296 1.00 0.87 H new ATOM 0 HB2 ASP B 45 129.696 0.136 -1.637 1.00 1.04 H new ATOM 0 HB3 ASP B 45 130.583 -1.088 -2.525 1.00 1.04 H new ATOM 2162 N LYS B 46 133.137 -0.253 -2.272 1.00 0.78 N ATOM 2163 CA LYS B 46 134.413 -0.563 -2.969 1.00 0.75 C ATOM 2164 C LYS B 46 135.580 -0.077 -2.103 1.00 0.65 C ATOM 2165 O LYS B 46 136.451 -0.843 -1.743 1.00 0.75 O ATOM 2166 CB LYS B 46 134.335 0.200 -4.292 1.00 0.90 C ATOM 2167 CG LYS B 46 133.083 -0.244 -5.056 1.00 1.35 C ATOM 2168 CD LYS B 46 133.368 -1.556 -5.794 1.00 1.43 C ATOM 2169 CE LYS B 46 132.108 -2.427 -5.796 1.00 1.86 C ATOM 2170 NZ LYS B 46 131.305 -1.942 -6.954 1.00 2.14 N ATOM 0 H LYS B 46 132.638 0.565 -2.620 1.00 0.78 H new ATOM 0 HA LYS B 46 134.567 -1.628 -3.144 1.00 0.75 H new ATOM 0 HB2 LYS B 46 134.300 1.273 -4.105 1.00 0.90 H new ATOM 0 HB3 LYS B 46 135.227 0.009 -4.889 1.00 0.90 H new ATOM 0 HG2 LYS B 46 132.251 -0.378 -4.364 1.00 1.35 H new ATOM 0 HG3 LYS B 46 132.786 0.527 -5.767 1.00 1.35 H new ATOM 0 HD2 LYS B 46 133.681 -1.349 -6.817 1.00 1.43 H new ATOM 0 HD3 LYS B 46 134.188 -2.086 -5.311 1.00 1.43 H new ATOM 0 HE2 LYS B 46 132.358 -3.482 -5.904 1.00 1.86 H new ATOM 0 HE3 LYS B 46 131.556 -2.324 -4.862 1.00 1.86 H new ATOM 0 HZ1 LYS B 46 130.425 -2.492 -7.021 1.00 2.14 H new ATOM 0 HZ2 LYS B 46 131.076 -0.936 -6.821 1.00 2.14 H new ATOM 0 HZ3 LYS B 46 131.853 -2.059 -7.830 1.00 2.14 H new ATOM 2184 N ALA B 47 135.590 1.186 -1.753 1.00 0.57 N ATOM 2185 CA ALA B 47 136.688 1.723 -0.889 1.00 0.61 C ATOM 2186 C ALA B 47 137.108 0.687 0.162 1.00 0.68 C ATOM 2187 O ALA B 47 138.280 0.466 0.395 1.00 0.71 O ATOM 2188 CB ALA B 47 136.083 2.944 -0.199 1.00 0.67 C ATOM 0 H ALA B 47 134.885 1.869 -2.029 1.00 0.57 H new ATOM 0 HA ALA B 47 137.577 1.967 -1.470 1.00 0.61 H new ATOM 0 HB1 ALA B 47 136.827 3.398 0.456 1.00 0.67 H new ATOM 0 HB2 ALA B 47 135.770 3.669 -0.951 1.00 0.67 H new ATOM 0 HB3 ALA B 47 135.219 2.638 0.391 1.00 0.67 H new ATOM 2194 N THR B 48 136.159 0.050 0.799 1.00 0.77 N ATOM 2195 CA THR B 48 136.507 -0.971 1.833 1.00 0.92 C ATOM 2196 C THR B 48 137.091 -2.218 1.172 1.00 0.85 C ATOM 2197 O THR B 48 138.138 -2.704 1.553 1.00 0.91 O ATOM 2198 CB THR B 48 135.184 -1.319 2.517 1.00 1.09 C ATOM 2199 OG1 THR B 48 134.339 -0.181 2.514 1.00 2.02 O ATOM 2200 CG2 THR B 48 135.450 -1.763 3.957 1.00 1.20 C ATOM 0 H THR B 48 135.160 0.192 0.648 1.00 0.77 H new ATOM 0 HA THR B 48 137.250 -0.596 2.537 1.00 0.92 H new ATOM 0 HB THR B 48 134.698 -2.132 1.977 1.00 1.09 H new ATOM 0 HG1 THR B 48 133.641 -0.293 1.835 1.00 2.02 H new ATOM 0 HG21 THR B 48 134.506 -2.010 4.442 1.00 1.20 H new ATOM 0 HG22 THR B 48 136.097 -2.640 3.954 1.00 1.20 H new ATOM 0 HG23 THR B 48 135.937 -0.955 4.503 1.00 1.20 H new ATOM 2208 N GLU B 49 136.417 -2.743 0.187 1.00 0.78 N ATOM 2209 CA GLU B 49 136.931 -3.965 -0.494 1.00 0.81 C ATOM 2210 C GLU B 49 138.385 -3.757 -0.919 1.00 0.70 C ATOM 2211 O GLU B 49 139.160 -4.689 -0.987 1.00 0.72 O ATOM 2212 CB GLU B 49 136.032 -4.151 -1.717 1.00 0.83 C ATOM 2213 CG GLU B 49 134.647 -4.619 -1.265 1.00 1.22 C ATOM 2214 CD GLU B 49 133.711 -4.693 -2.473 1.00 1.67 C ATOM 2215 OE1 GLU B 49 134.212 -4.770 -3.582 1.00 2.27 O ATOM 2216 OE2 GLU B 49 132.508 -4.674 -2.268 1.00 2.27 O ATOM 0 H GLU B 49 135.535 -2.380 -0.175 1.00 0.78 H new ATOM 0 HA GLU B 49 136.912 -4.839 0.157 1.00 0.81 H new ATOM 0 HB2 GLU B 49 135.949 -3.214 -2.267 1.00 0.83 H new ATOM 0 HB3 GLU B 49 136.471 -4.882 -2.397 1.00 0.83 H new ATOM 0 HG2 GLU B 49 134.720 -5.597 -0.788 1.00 1.22 H new ATOM 0 HG3 GLU B 49 134.244 -3.931 -0.522 1.00 1.22 H new ATOM 2223 N TYR B 50 138.758 -2.541 -1.205 1.00 0.70 N ATOM 2224 CA TYR B 50 140.162 -2.270 -1.627 1.00 0.67 C ATOM 2225 C TYR B 50 141.107 -2.328 -0.423 1.00 0.61 C ATOM 2226 O TYR B 50 142.175 -2.902 -0.490 1.00 0.58 O ATOM 2227 CB TYR B 50 140.130 -0.859 -2.214 1.00 0.88 C ATOM 2228 CG TYR B 50 139.958 -0.940 -3.710 1.00 0.71 C ATOM 2229 CD1 TYR B 50 138.674 -0.968 -4.267 1.00 1.56 C ATOM 2230 CD2 TYR B 50 141.083 -0.983 -4.542 1.00 1.38 C ATOM 2231 CE1 TYR B 50 138.515 -1.043 -5.656 1.00 1.86 C ATOM 2232 CE2 TYR B 50 140.924 -1.057 -5.930 1.00 1.82 C ATOM 2233 CZ TYR B 50 139.640 -1.086 -6.488 1.00 1.72 C ATOM 2234 OH TYR B 50 139.484 -1.157 -7.857 1.00 2.36 O ATOM 0 H TYR B 50 138.151 -1.722 -1.165 1.00 0.70 H new ATOM 0 HA TYR B 50 140.524 -3.007 -2.344 1.00 0.67 H new ATOM 0 HB2 TYR B 50 139.312 -0.289 -1.774 1.00 0.88 H new ATOM 0 HB3 TYR B 50 141.053 -0.332 -1.971 1.00 0.88 H new ATOM 0 HD1 TYR B 50 137.806 -0.932 -3.625 1.00 1.56 H new ATOM 0 HD2 TYR B 50 142.074 -0.959 -4.112 1.00 1.38 H new ATOM 0 HE1 TYR B 50 137.524 -1.068 -6.086 1.00 1.86 H new ATOM 0 HE2 TYR B 50 141.792 -1.092 -6.572 1.00 1.82 H new ATOM 0 HH TYR B 50 140.365 -1.178 -8.286 1.00 2.36 H new ATOM 2244 N ILE B 51 140.729 -1.733 0.676 1.00 0.70 N ATOM 2245 CA ILE B 51 141.618 -1.754 1.875 1.00 0.76 C ATOM 2246 C ILE B 51 141.834 -3.191 2.359 1.00 0.70 C ATOM 2247 O ILE B 51 142.884 -3.771 2.160 1.00 0.76 O ATOM 2248 CB ILE B 51 140.882 -0.939 2.938 1.00 0.98 C ATOM 2249 CG1 ILE B 51 140.619 0.475 2.415 1.00 1.05 C ATOM 2250 CG2 ILE B 51 141.742 -0.857 4.200 1.00 1.33 C ATOM 2251 CD1 ILE B 51 139.684 1.208 3.379 1.00 0.74 C ATOM 0 H ILE B 51 139.847 -1.235 0.796 1.00 0.70 H new ATOM 0 HA ILE B 51 142.603 -1.343 1.656 1.00 0.76 H new ATOM 0 HB ILE B 51 139.933 -1.423 3.169 1.00 0.98 H new ATOM 0 HG12 ILE B 51 141.558 1.019 2.318 1.00 1.05 H new ATOM 0 HG13 ILE B 51 140.173 0.430 1.422 1.00 1.05 H new ATOM 0 HG21 ILE B 51 141.219 -0.276 4.960 1.00 1.33 H new ATOM 0 HG22 ILE B 51 141.931 -1.862 4.578 1.00 1.33 H new ATOM 0 HG23 ILE B 51 142.690 -0.374 3.963 1.00 1.33 H new ATOM 0 HD11 ILE B 51 139.496 2.215 3.008 1.00 0.74 H new ATOM 0 HD12 ILE B 51 138.741 0.667 3.453 1.00 0.74 H new ATOM 0 HD13 ILE B 51 140.148 1.265 4.364 1.00 0.74 H new ATOM 2263 N GLN B 52 140.853 -3.768 2.999 1.00 0.69 N ATOM 2264 CA GLN B 52 141.008 -5.164 3.501 1.00 0.73 C ATOM 2265 C GLN B 52 141.667 -6.041 2.432 1.00 0.67 C ATOM 2266 O GLN B 52 142.432 -6.935 2.735 1.00 0.74 O ATOM 2267 CB GLN B 52 139.585 -5.642 3.801 1.00 0.83 C ATOM 2268 CG GLN B 52 138.862 -5.978 2.494 1.00 1.34 C ATOM 2269 CD GLN B 52 137.367 -6.153 2.771 1.00 1.77 C ATOM 2270 OE1 GLN B 52 136.583 -5.110 2.740 1.00 2.49 O flip ATOM 2271 NE2 GLN B 52 136.907 -7.250 3.019 1.00 1.98 N flip ATOM 0 H GLN B 52 139.951 -3.334 3.196 1.00 0.69 H new ATOM 0 HA GLN B 52 141.644 -5.218 4.385 1.00 0.73 H new ATOM 0 HB2 GLN B 52 139.615 -6.520 4.446 1.00 0.83 H new ATOM 0 HB3 GLN B 52 139.038 -4.869 4.341 1.00 0.83 H new ATOM 0 HG2 GLN B 52 139.017 -5.183 1.765 1.00 1.34 H new ATOM 0 HG3 GLN B 52 139.273 -6.891 2.063 1.00 1.34 H new ATOM 0 HE21 GLN B 52 137.519 -8.066 3.043 1.00 1.98 H new ATOM 0 HE22 GLN B 52 135.909 -7.355 3.203 1.00 1.98 H new ATOM 2280 N TYR B 53 141.382 -5.788 1.185 1.00 0.62 N ATOM 2281 CA TYR B 53 142.000 -6.603 0.101 1.00 0.65 C ATOM 2282 C TYR B 53 143.491 -6.275 -0.016 1.00 0.62 C ATOM 2283 O TYR B 53 144.325 -7.154 -0.109 1.00 0.75 O ATOM 2284 CB TYR B 53 141.261 -6.193 -1.172 1.00 0.69 C ATOM 2285 CG TYR B 53 142.022 -6.689 -2.378 1.00 0.75 C ATOM 2286 CD1 TYR B 53 142.472 -8.013 -2.426 1.00 1.43 C ATOM 2287 CD2 TYR B 53 142.273 -5.823 -3.448 1.00 1.42 C ATOM 2288 CE1 TYR B 53 143.177 -8.471 -3.545 1.00 1.48 C ATOM 2289 CE2 TYR B 53 142.978 -6.281 -4.567 1.00 1.48 C ATOM 2290 CZ TYR B 53 143.429 -7.606 -4.616 1.00 0.93 C ATOM 2291 OH TYR B 53 144.122 -8.058 -5.720 1.00 1.04 O ATOM 0 H TYR B 53 140.749 -5.053 0.869 1.00 0.62 H new ATOM 0 HA TYR B 53 141.921 -7.674 0.290 1.00 0.65 H new ATOM 0 HB2 TYR B 53 140.253 -6.607 -1.169 1.00 0.69 H new ATOM 0 HB3 TYR B 53 141.160 -5.108 -1.213 1.00 0.69 H new ATOM 0 HD1 TYR B 53 142.276 -8.681 -1.600 1.00 1.43 H new ATOM 0 HD2 TYR B 53 141.923 -4.802 -3.410 1.00 1.42 H new ATOM 0 HE1 TYR B 53 143.527 -9.492 -3.582 1.00 1.48 H new ATOM 0 HE2 TYR B 53 143.174 -5.613 -5.392 1.00 1.48 H new ATOM 0 HH TYR B 53 144.209 -7.331 -6.371 1.00 1.04 H new ATOM 2301 N MET B 54 143.831 -5.015 -0.013 1.00 0.54 N ATOM 2302 CA MET B 54 145.267 -4.630 -0.126 1.00 0.57 C ATOM 2303 C MET B 54 146.029 -5.052 1.132 1.00 0.52 C ATOM 2304 O MET B 54 147.034 -5.729 1.061 1.00 0.51 O ATOM 2305 CB MET B 54 145.259 -3.108 -0.270 1.00 0.70 C ATOM 2306 CG MET B 54 144.614 -2.733 -1.605 1.00 0.94 C ATOM 2307 SD MET B 54 145.857 -2.001 -2.696 1.00 0.96 S ATOM 2308 CE MET B 54 144.981 -2.297 -4.251 1.00 0.77 C ATOM 0 H MET B 54 143.177 -4.236 0.063 1.00 0.54 H new ATOM 0 HA MET B 54 145.760 -5.114 -0.969 1.00 0.57 H new ATOM 0 HB2 MET B 54 144.707 -2.656 0.554 1.00 0.70 H new ATOM 0 HB3 MET B 54 146.277 -2.721 -0.223 1.00 0.70 H new ATOM 0 HG2 MET B 54 144.181 -3.618 -2.072 1.00 0.94 H new ATOM 0 HG3 MET B 54 143.799 -2.028 -1.441 1.00 0.94 H new ATOM 0 HE1 MET B 54 145.371 -1.631 -5.021 1.00 0.77 H new ATOM 0 HE2 MET B 54 145.126 -3.333 -4.559 1.00 0.77 H new ATOM 0 HE3 MET B 54 143.917 -2.106 -4.111 1.00 0.77 H new ATOM 2318 N ARG B 55 145.558 -4.663 2.284 1.00 0.57 N ATOM 2319 CA ARG B 55 146.260 -5.052 3.538 1.00 0.58 C ATOM 2320 C ARG B 55 146.606 -6.543 3.502 1.00 0.56 C ATOM 2321 O ARG B 55 147.695 -6.947 3.857 1.00 0.58 O ATOM 2322 CB ARG B 55 145.264 -4.758 4.658 1.00 0.69 C ATOM 2323 CG ARG B 55 146.019 -4.565 5.973 1.00 0.77 C ATOM 2324 CD ARG B 55 145.037 -4.147 7.067 1.00 1.42 C ATOM 2325 NE ARG B 55 144.919 -5.341 7.947 1.00 1.43 N ATOM 2326 CZ ARG B 55 145.722 -5.478 8.966 1.00 1.84 C ATOM 2327 NH1 ARG B 55 145.514 -4.790 10.055 1.00 2.53 N ATOM 2328 NH2 ARG B 55 146.733 -6.299 8.893 1.00 2.35 N ATOM 0 H ARG B 55 144.721 -4.095 2.411 1.00 0.57 H new ATOM 0 HA ARG B 55 147.196 -4.510 3.676 1.00 0.58 H new ATOM 0 HB2 ARG B 55 144.689 -3.863 4.422 1.00 0.69 H new ATOM 0 HB3 ARG B 55 144.553 -5.579 4.752 1.00 0.69 H new ATOM 0 HG2 ARG B 55 146.522 -5.490 6.255 1.00 0.77 H new ATOM 0 HG3 ARG B 55 146.792 -3.805 5.853 1.00 0.77 H new ATOM 0 HD2 ARG B 55 145.405 -3.283 7.620 1.00 1.42 H new ATOM 0 HD3 ARG B 55 144.071 -3.868 6.646 1.00 1.42 H new ATOM 0 HE ARG B 55 144.212 -6.051 7.754 1.00 1.43 H new ATOM 0 HH11 ARG B 55 144.725 -4.146 10.109 1.00 2.53 H new ATOM 0 HH12 ARG B 55 146.141 -4.896 10.853 1.00 2.53 H new ATOM 0 HH21 ARG B 55 146.895 -6.833 8.040 1.00 2.35 H new ATOM 0 HH22 ARG B 55 147.361 -6.407 9.689 1.00 2.35 H new ATOM 2342 N ARG B 56 145.686 -7.365 3.073 1.00 0.57 N ATOM 2343 CA ARG B 56 145.966 -8.829 3.013 1.00 0.59 C ATOM 2344 C ARG B 56 146.994 -9.124 1.918 1.00 0.53 C ATOM 2345 O ARG B 56 148.022 -9.723 2.165 1.00 0.58 O ATOM 2346 CB ARG B 56 144.624 -9.481 2.677 1.00 0.67 C ATOM 2347 CG ARG B 56 144.548 -10.857 3.342 1.00 1.04 C ATOM 2348 CD ARG B 56 143.181 -11.031 4.007 1.00 1.63 C ATOM 2349 NE ARG B 56 143.335 -10.434 5.363 1.00 2.02 N ATOM 2350 CZ ARG B 56 143.094 -9.166 5.549 1.00 2.50 C ATOM 2351 NH1 ARG B 56 142.005 -8.632 5.066 1.00 2.99 N ATOM 2352 NH2 ARG B 56 143.941 -8.431 6.216 1.00 3.10 N ATOM 0 H ARG B 56 144.755 -7.087 2.762 1.00 0.57 H new ATOM 0 HA ARG B 56 146.377 -9.208 3.949 1.00 0.59 H new ATOM 0 HB2 ARG B 56 143.804 -8.852 3.023 1.00 0.67 H new ATOM 0 HB3 ARG B 56 144.515 -9.580 1.597 1.00 0.67 H new ATOM 0 HG2 ARG B 56 144.705 -11.640 2.600 1.00 1.04 H new ATOM 0 HG3 ARG B 56 145.340 -10.958 4.084 1.00 1.04 H new ATOM 0 HD2 ARG B 56 142.399 -10.526 3.440 1.00 1.63 H new ATOM 0 HD3 ARG B 56 142.902 -12.083 4.068 1.00 1.63 H new ATOM 0 HE ARG B 56 143.629 -11.017 6.146 1.00 2.02 H new ATOM 0 HH11 ARG B 56 141.344 -9.207 4.544 1.00 2.99 H new ATOM 0 HH12 ARG B 56 141.816 -7.640 5.211 1.00 2.99 H new ATOM 0 HH21 ARG B 56 144.792 -8.848 6.592 1.00 3.10 H new ATOM 0 HH22 ARG B 56 143.752 -7.439 6.361 1.00 3.10 H new ATOM 2366 N LYS B 57 146.726 -8.708 0.710 1.00 0.51 N ATOM 2367 CA LYS B 57 147.693 -8.965 -0.396 1.00 0.53 C ATOM 2368 C LYS B 57 149.047 -8.335 -0.065 1.00 0.50 C ATOM 2369 O LYS B 57 150.085 -8.945 -0.234 1.00 0.54 O ATOM 2370 CB LYS B 57 147.076 -8.298 -1.626 1.00 0.60 C ATOM 2371 CG LYS B 57 148.137 -8.166 -2.722 1.00 0.93 C ATOM 2372 CD LYS B 57 147.451 -8.018 -4.082 1.00 0.84 C ATOM 2373 CE LYS B 57 148.281 -7.093 -4.976 1.00 1.28 C ATOM 2374 NZ LYS B 57 147.305 -6.110 -5.522 1.00 1.52 N ATOM 0 H LYS B 57 145.882 -8.203 0.441 1.00 0.51 H new ATOM 0 HA LYS B 57 147.867 -10.029 -0.556 1.00 0.53 H new ATOM 0 HB2 LYS B 57 146.234 -8.888 -1.989 1.00 0.60 H new ATOM 0 HB3 LYS B 57 146.686 -7.315 -1.362 1.00 0.60 H new ATOM 0 HG2 LYS B 57 148.771 -7.301 -2.527 1.00 0.93 H new ATOM 0 HG3 LYS B 57 148.785 -9.043 -2.723 1.00 0.93 H new ATOM 0 HD2 LYS B 57 147.341 -8.994 -4.554 1.00 0.84 H new ATOM 0 HD3 LYS B 57 146.448 -7.612 -3.953 1.00 0.84 H new ATOM 0 HE2 LYS B 57 149.067 -6.595 -4.408 1.00 1.28 H new ATOM 0 HE3 LYS B 57 148.770 -7.650 -5.775 1.00 1.28 H new ATOM 0 HZ1 LYS B 57 147.799 -5.440 -6.146 1.00 1.52 H new ATOM 0 HZ2 LYS B 57 146.573 -6.612 -6.063 1.00 1.52 H new ATOM 0 HZ3 LYS B 57 146.861 -5.590 -4.738 1.00 1.52 H new ATOM 2388 N VAL B 58 149.046 -7.120 0.410 1.00 0.52 N ATOM 2389 CA VAL B 58 150.333 -6.453 0.756 1.00 0.60 C ATOM 2390 C VAL B 58 151.134 -7.331 1.720 1.00 0.61 C ATOM 2391 O VAL B 58 152.291 -7.625 1.492 1.00 0.74 O ATOM 2392 CB VAL B 58 149.930 -5.142 1.432 1.00 0.71 C ATOM 2393 CG1 VAL B 58 151.182 -4.408 1.913 1.00 0.86 C ATOM 2394 CG2 VAL B 58 149.178 -4.264 0.429 1.00 0.76 C ATOM 0 H VAL B 58 148.209 -6.560 0.574 1.00 0.52 H new ATOM 0 HA VAL B 58 150.961 -6.282 -0.118 1.00 0.60 H new ATOM 0 HB VAL B 58 149.286 -5.356 2.285 1.00 0.71 H new ATOM 0 HG11 VAL B 58 150.894 -3.474 2.395 1.00 0.86 H new ATOM 0 HG12 VAL B 58 151.719 -5.033 2.626 1.00 0.86 H new ATOM 0 HG13 VAL B 58 151.827 -4.193 1.061 1.00 0.86 H new ATOM 0 HG21 VAL B 58 148.890 -3.329 0.909 1.00 0.76 H new ATOM 0 HG22 VAL B 58 149.823 -4.051 -0.423 1.00 0.76 H new ATOM 0 HG23 VAL B 58 148.285 -4.786 0.086 1.00 0.76 H new ATOM 2404 N HIS B 59 150.526 -7.757 2.794 1.00 0.57 N ATOM 2405 CA HIS B 59 151.253 -8.621 3.767 1.00 0.67 C ATOM 2406 C HIS B 59 151.866 -9.820 3.040 1.00 0.63 C ATOM 2407 O HIS B 59 153.041 -10.101 3.166 1.00 0.71 O ATOM 2408 CB HIS B 59 150.189 -9.082 4.763 1.00 0.75 C ATOM 2409 CG HIS B 59 150.857 -9.566 6.021 1.00 0.96 C ATOM 2410 ND1 HIS B 59 150.738 -10.873 6.466 1.00 1.53 N ATOM 2411 CD2 HIS B 59 151.656 -8.929 6.938 1.00 1.68 C ATOM 2412 CE1 HIS B 59 151.449 -10.981 7.603 1.00 1.83 C ATOM 2413 NE2 HIS B 59 152.030 -9.824 7.936 1.00 1.96 N ATOM 0 H HIS B 59 149.559 -7.544 3.039 1.00 0.57 H new ATOM 0 HA HIS B 59 152.069 -8.095 4.263 1.00 0.67 H new ATOM 0 HB2 HIS B 59 149.510 -8.261 4.992 1.00 0.75 H new ATOM 0 HB3 HIS B 59 149.589 -9.880 4.327 1.00 0.75 H new ATOM 0 HD2 HIS B 59 151.950 -7.891 6.892 1.00 1.68 H new ATOM 0 HE1 HIS B 59 151.539 -11.891 8.177 1.00 1.83 H new ATOM 0 HE2 HIS B 59 152.620 -9.637 8.747 1.00 1.96 H new ATOM 2421 N THR B 60 151.078 -10.524 2.275 1.00 0.59 N ATOM 2422 CA THR B 60 151.616 -11.700 1.534 1.00 0.64 C ATOM 2423 C THR B 60 152.691 -11.246 0.544 1.00 0.59 C ATOM 2424 O THR B 60 153.778 -11.789 0.501 1.00 0.67 O ATOM 2425 CB THR B 60 150.414 -12.285 0.792 1.00 0.69 C ATOM 2426 OG1 THR B 60 149.620 -11.227 0.274 1.00 0.74 O ATOM 2427 CG2 THR B 60 149.578 -13.129 1.756 1.00 0.84 C ATOM 0 H THR B 60 150.086 -10.336 2.131 1.00 0.59 H new ATOM 0 HA THR B 60 152.079 -12.432 2.195 1.00 0.64 H new ATOM 0 HB THR B 60 150.762 -12.913 -0.028 1.00 0.69 H new ATOM 0 HG1 THR B 60 150.159 -10.683 -0.338 1.00 0.74 H new ATOM 0 HG21 THR B 60 148.721 -13.545 1.226 1.00 0.84 H new ATOM 0 HG22 THR B 60 150.189 -13.940 2.153 1.00 0.84 H new ATOM 0 HG23 THR B 60 149.228 -12.504 2.577 1.00 0.84 H new ATOM 2435 N LEU B 61 152.399 -10.250 -0.248 1.00 0.52 N ATOM 2436 CA LEU B 61 153.409 -9.760 -1.230 1.00 0.55 C ATOM 2437 C LEU B 61 154.697 -9.375 -0.500 1.00 0.52 C ATOM 2438 O LEU B 61 155.752 -9.922 -0.750 1.00 0.51 O ATOM 2439 CB LEU B 61 152.771 -8.532 -1.881 1.00 0.60 C ATOM 2440 CG LEU B 61 152.004 -8.960 -3.134 1.00 0.73 C ATOM 2441 CD1 LEU B 61 151.005 -7.869 -3.522 1.00 1.05 C ATOM 2442 CD2 LEU B 61 152.989 -9.180 -4.285 1.00 1.06 C ATOM 0 H LEU B 61 151.507 -9.755 -0.258 1.00 0.52 H new ATOM 0 HA LEU B 61 153.672 -10.516 -1.970 1.00 0.55 H new ATOM 0 HB2 LEU B 61 152.097 -8.043 -1.178 1.00 0.60 H new ATOM 0 HB3 LEU B 61 153.540 -7.805 -2.143 1.00 0.60 H new ATOM 0 HG LEU B 61 151.468 -9.887 -2.930 1.00 0.73 H new ATOM 0 HD11 LEU B 61 150.460 -8.176 -4.415 1.00 1.05 H new ATOM 0 HD12 LEU B 61 150.302 -7.711 -2.704 1.00 1.05 H new ATOM 0 HD13 LEU B 61 151.540 -6.941 -3.725 1.00 1.05 H new ATOM 0 HD21 LEU B 61 152.443 -9.485 -5.178 1.00 1.06 H new ATOM 0 HD22 LEU B 61 153.526 -8.253 -4.487 1.00 1.06 H new ATOM 0 HD23 LEU B 61 153.701 -9.959 -4.011 1.00 1.06 H new ATOM 2454 N GLN B 62 154.618 -8.439 0.408 1.00 0.53 N ATOM 2455 CA GLN B 62 155.838 -8.025 1.158 1.00 0.56 C ATOM 2456 C GLN B 62 156.634 -9.261 1.580 1.00 0.56 C ATOM 2457 O GLN B 62 157.786 -9.419 1.230 1.00 0.56 O ATOM 2458 CB GLN B 62 155.316 -7.280 2.387 1.00 0.62 C ATOM 2459 CG GLN B 62 156.483 -6.957 3.322 1.00 0.69 C ATOM 2460 CD GLN B 62 157.236 -5.734 2.797 1.00 1.06 C ATOM 2461 OE1 GLN B 62 156.638 -4.719 2.501 1.00 1.52 O ATOM 2462 NE2 GLN B 62 158.534 -5.787 2.668 1.00 1.26 N ATOM 0 H GLN B 62 153.763 -7.944 0.662 1.00 0.53 H new ATOM 0 HA GLN B 62 156.503 -7.403 0.559 1.00 0.56 H new ATOM 0 HB2 GLN B 62 154.815 -6.361 2.083 1.00 0.62 H new ATOM 0 HB3 GLN B 62 154.577 -7.889 2.908 1.00 0.62 H new ATOM 0 HG2 GLN B 62 156.113 -6.764 4.329 1.00 0.69 H new ATOM 0 HG3 GLN B 62 157.157 -7.811 3.388 1.00 0.69 H new ATOM 0 HE21 GLN B 62 159.037 -6.639 2.916 1.00 1.26 H new ATOM 0 HE22 GLN B 62 159.045 -4.976 2.319 1.00 1.26 H new ATOM 2471 N GLN B 63 156.027 -10.143 2.328 1.00 0.57 N ATOM 2472 CA GLN B 63 156.751 -11.370 2.765 1.00 0.61 C ATOM 2473 C GLN B 63 157.500 -11.980 1.577 1.00 0.57 C ATOM 2474 O GLN B 63 158.562 -12.552 1.727 1.00 0.58 O ATOM 2475 CB GLN B 63 155.659 -12.320 3.259 1.00 0.65 C ATOM 2476 CG GLN B 63 156.056 -12.890 4.622 1.00 0.79 C ATOM 2477 CD GLN B 63 155.192 -12.255 5.713 1.00 1.08 C ATOM 2478 OE1 GLN B 63 154.745 -12.930 6.620 1.00 1.50 O ATOM 2479 NE2 GLN B 63 154.936 -10.976 5.665 1.00 1.50 N ATOM 0 H GLN B 63 155.064 -10.067 2.654 1.00 0.57 H new ATOM 0 HA GLN B 63 157.490 -11.166 3.540 1.00 0.61 H new ATOM 0 HB2 GLN B 63 154.710 -11.790 3.337 1.00 0.65 H new ATOM 0 HB3 GLN B 63 155.515 -13.129 2.543 1.00 0.65 H new ATOM 0 HG2 GLN B 63 155.928 -13.972 4.626 1.00 0.79 H new ATOM 0 HG3 GLN B 63 157.110 -12.693 4.817 1.00 0.79 H new ATOM 0 HE21 GLN B 63 155.311 -10.409 4.904 1.00 1.50 H new ATOM 0 HE22 GLN B 63 154.361 -10.543 6.388 1.00 1.50 H new ATOM 2488 N ASP B 64 156.956 -11.856 0.396 1.00 0.55 N ATOM 2489 CA ASP B 64 157.636 -12.421 -0.804 1.00 0.54 C ATOM 2490 C ASP B 64 158.805 -11.522 -1.208 1.00 0.52 C ATOM 2491 O ASP B 64 159.733 -11.947 -1.869 1.00 0.52 O ATOM 2492 CB ASP B 64 156.566 -12.431 -1.896 1.00 0.53 C ATOM 2493 CG ASP B 64 156.484 -13.825 -2.519 1.00 0.67 C ATOM 2494 OD1 ASP B 64 157.494 -14.285 -3.027 1.00 1.39 O ATOM 2495 OD2 ASP B 64 155.414 -14.409 -2.479 1.00 1.22 O ATOM 0 H ASP B 64 156.069 -11.387 0.211 1.00 0.55 H new ATOM 0 HA ASP B 64 158.042 -13.417 -0.624 1.00 0.54 H new ATOM 0 HB2 ASP B 64 155.600 -12.152 -1.475 1.00 0.53 H new ATOM 0 HB3 ASP B 64 156.806 -11.693 -2.661 1.00 0.53 H new ATOM 2500 N ILE B 65 158.769 -10.282 -0.805 1.00 0.52 N ATOM 2501 CA ILE B 65 159.878 -9.348 -1.153 1.00 0.53 C ATOM 2502 C ILE B 65 161.044 -9.564 -0.187 1.00 0.54 C ATOM 2503 O ILE B 65 162.182 -9.701 -0.591 1.00 0.57 O ATOM 2504 CB ILE B 65 159.305 -7.934 -0.991 1.00 0.56 C ATOM 2505 CG1 ILE B 65 157.845 -7.893 -1.458 1.00 0.55 C ATOM 2506 CG2 ILE B 65 160.121 -6.956 -1.839 1.00 0.60 C ATOM 2507 CD1 ILE B 65 157.388 -6.435 -1.558 1.00 0.64 C ATOM 0 H ILE B 65 158.018 -9.874 -0.248 1.00 0.52 H new ATOM 0 HA ILE B 65 160.248 -9.509 -2.166 1.00 0.53 H new ATOM 0 HB ILE B 65 159.355 -7.655 0.061 1.00 0.56 H new ATOM 0 HG12 ILE B 65 157.747 -8.384 -2.426 1.00 0.55 H new ATOM 0 HG13 ILE B 65 157.212 -8.438 -0.758 1.00 0.55 H new ATOM 0 HG21 ILE B 65 159.716 -5.950 -1.726 1.00 0.60 H new ATOM 0 HG22 ILE B 65 161.160 -6.968 -1.510 1.00 0.60 H new ATOM 0 HG23 ILE B 65 160.069 -7.252 -2.887 1.00 0.60 H new ATOM 0 HD11 ILE B 65 156.350 -6.401 -1.890 1.00 0.64 H new ATOM 0 HD12 ILE B 65 157.472 -5.959 -0.581 1.00 0.64 H new ATOM 0 HD13 ILE B 65 158.016 -5.905 -2.275 1.00 0.64 H new ATOM 2519 N ASP B 66 160.766 -9.608 1.088 1.00 0.57 N ATOM 2520 CA ASP B 66 161.857 -9.829 2.078 1.00 0.59 C ATOM 2521 C ASP B 66 162.496 -11.197 1.837 1.00 0.58 C ATOM 2522 O ASP B 66 163.700 -11.353 1.903 1.00 0.58 O ATOM 2523 CB ASP B 66 161.170 -9.787 3.443 1.00 0.68 C ATOM 2524 CG ASP B 66 161.303 -8.383 4.037 1.00 0.89 C ATOM 2525 OD1 ASP B 66 161.244 -7.432 3.276 1.00 1.32 O ATOM 2526 OD2 ASP B 66 161.461 -8.284 5.243 1.00 1.77 O ATOM 0 H ASP B 66 159.833 -9.501 1.485 1.00 0.57 H new ATOM 0 HA ASP B 66 162.649 -9.084 2.005 1.00 0.59 H new ATOM 0 HB2 ASP B 66 160.118 -10.052 3.341 1.00 0.68 H new ATOM 0 HB3 ASP B 66 161.620 -10.521 4.112 1.00 0.68 H new ATOM 2531 N ASP B 67 161.698 -12.189 1.546 1.00 0.61 N ATOM 2532 CA ASP B 67 162.258 -13.546 1.288 1.00 0.63 C ATOM 2533 C ASP B 67 163.219 -13.487 0.098 1.00 0.58 C ATOM 2534 O ASP B 67 164.356 -13.909 0.183 1.00 0.66 O ATOM 2535 CB ASP B 67 161.045 -14.421 0.963 1.00 0.71 C ATOM 2536 CG ASP B 67 161.506 -15.851 0.673 1.00 1.20 C ATOM 2537 OD1 ASP B 67 161.896 -16.110 -0.454 1.00 1.65 O ATOM 2538 OD2 ASP B 67 161.461 -16.663 1.583 1.00 1.88 O ATOM 0 H ASP B 67 160.683 -12.118 1.476 1.00 0.61 H new ATOM 0 HA ASP B 67 162.819 -13.938 2.136 1.00 0.63 H new ATOM 0 HB2 ASP B 67 160.346 -14.416 1.799 1.00 0.71 H new ATOM 0 HB3 ASP B 67 160.514 -14.018 0.101 1.00 0.71 H new ATOM 2543 N LEU B 68 162.774 -12.957 -1.010 1.00 0.53 N ATOM 2544 CA LEU B 68 163.667 -12.861 -2.199 1.00 0.53 C ATOM 2545 C LEU B 68 164.888 -12.004 -1.859 1.00 0.55 C ATOM 2546 O LEU B 68 166.007 -12.335 -2.193 1.00 0.58 O ATOM 2547 CB LEU B 68 162.822 -12.187 -3.280 1.00 0.52 C ATOM 2548 CG LEU B 68 161.829 -13.197 -3.857 1.00 0.70 C ATOM 2549 CD1 LEU B 68 160.765 -12.458 -4.671 1.00 0.57 C ATOM 2550 CD2 LEU B 68 162.572 -14.180 -4.764 1.00 1.07 C ATOM 0 H LEU B 68 161.833 -12.587 -1.142 1.00 0.53 H new ATOM 0 HA LEU B 68 164.035 -13.834 -2.524 1.00 0.53 H new ATOM 0 HB2 LEU B 68 162.287 -11.335 -2.860 1.00 0.52 H new ATOM 0 HB3 LEU B 68 163.465 -11.801 -4.071 1.00 0.52 H new ATOM 0 HG LEU B 68 161.351 -13.742 -3.043 1.00 0.70 H new ATOM 0 HD11 LEU B 68 160.057 -13.177 -5.083 1.00 0.57 H new ATOM 0 HD12 LEU B 68 160.236 -11.756 -4.026 1.00 0.57 H new ATOM 0 HD13 LEU B 68 161.243 -11.913 -5.485 1.00 0.57 H new ATOM 0 HD21 LEU B 68 161.865 -14.900 -5.176 1.00 1.07 H new ATOM 0 HD22 LEU B 68 163.050 -13.634 -5.578 1.00 1.07 H new ATOM 0 HD23 LEU B 68 163.331 -14.706 -4.185 1.00 1.07 H new ATOM 2562 N LYS B 69 164.680 -10.904 -1.188 1.00 0.57 N ATOM 2563 CA LYS B 69 165.827 -10.029 -0.817 1.00 0.61 C ATOM 2564 C LYS B 69 166.966 -10.878 -0.250 1.00 0.64 C ATOM 2565 O LYS B 69 168.103 -10.778 -0.671 1.00 0.71 O ATOM 2566 CB LYS B 69 165.273 -9.091 0.255 1.00 0.67 C ATOM 2567 CG LYS B 69 165.688 -7.653 -0.058 1.00 1.43 C ATOM 2568 CD LYS B 69 165.134 -6.717 1.018 1.00 1.64 C ATOM 2569 CE LYS B 69 164.646 -5.420 0.368 1.00 2.17 C ATOM 2570 NZ LYS B 69 165.620 -4.383 0.807 1.00 2.25 N ATOM 0 H LYS B 69 163.765 -10.574 -0.881 1.00 0.57 H new ATOM 0 HA LYS B 69 166.229 -9.481 -1.670 1.00 0.61 H new ATOM 0 HB2 LYS B 69 164.186 -9.167 0.292 1.00 0.67 H new ATOM 0 HB3 LYS B 69 165.647 -9.383 1.236 1.00 0.67 H new ATOM 0 HG2 LYS B 69 166.775 -7.577 -0.097 1.00 1.43 H new ATOM 0 HG3 LYS B 69 165.313 -7.360 -1.038 1.00 1.43 H new ATOM 0 HD2 LYS B 69 164.314 -7.201 1.548 1.00 1.64 H new ATOM 0 HD3 LYS B 69 165.906 -6.498 1.756 1.00 1.64 H new ATOM 0 HE2 LYS B 69 164.623 -5.506 -0.718 1.00 2.17 H new ATOM 0 HE3 LYS B 69 163.634 -5.173 0.689 1.00 2.17 H new ATOM 0 HZ1 LYS B 69 165.354 -3.463 0.402 1.00 2.25 H new ATOM 0 HZ2 LYS B 69 165.615 -4.319 1.845 1.00 2.25 H new ATOM 0 HZ3 LYS B 69 166.573 -4.642 0.481 1.00 2.25 H new ATOM 2584 N ARG B 70 166.665 -11.717 0.702 1.00 0.64 N ATOM 2585 CA ARG B 70 167.722 -12.578 1.303 1.00 0.70 C ATOM 2586 C ARG B 70 168.351 -13.474 0.233 1.00 0.67 C ATOM 2587 O ARG B 70 169.541 -13.714 0.234 1.00 0.71 O ATOM 2588 CB ARG B 70 166.992 -13.424 2.348 1.00 0.78 C ATOM 2589 CG ARG B 70 167.363 -12.939 3.751 1.00 1.17 C ATOM 2590 CD ARG B 70 168.743 -13.480 4.130 1.00 1.29 C ATOM 2591 NE ARG B 70 168.630 -13.845 5.569 1.00 1.57 N ATOM 2592 CZ ARG B 70 169.646 -13.669 6.368 1.00 2.02 C ATOM 2593 NH1 ARG B 70 170.851 -13.974 5.968 1.00 2.36 N ATOM 2594 NH2 ARG B 70 169.459 -13.186 7.566 1.00 2.75 N ATOM 0 H ARG B 70 165.730 -11.844 1.091 1.00 0.64 H new ATOM 0 HA ARG B 70 168.531 -11.993 1.740 1.00 0.70 H new ATOM 0 HB2 ARG B 70 165.914 -13.352 2.201 1.00 0.78 H new ATOM 0 HB3 ARG B 70 167.260 -14.474 2.232 1.00 0.78 H new ATOM 0 HG2 ARG B 70 167.367 -11.849 3.781 1.00 1.17 H new ATOM 0 HG3 ARG B 70 166.618 -13.275 4.472 1.00 1.17 H new ATOM 0 HD2 ARG B 70 169.008 -14.345 3.523 1.00 1.29 H new ATOM 0 HD3 ARG B 70 169.518 -12.730 3.972 1.00 1.29 H new ATOM 0 HE ARG B 70 167.758 -14.233 5.930 1.00 1.57 H new ATOM 0 HH11 ARG B 70 170.998 -14.350 5.031 1.00 2.36 H new ATOM 0 HH12 ARG B 70 171.646 -13.837 6.592 1.00 2.36 H new ATOM 0 HH21 ARG B 70 168.518 -12.946 7.878 1.00 2.75 H new ATOM 0 HH22 ARG B 70 170.254 -13.049 8.190 1.00 2.75 H new ATOM 2608 N GLN B 71 167.562 -13.977 -0.676 1.00 0.65 N ATOM 2609 CA GLN B 71 168.122 -14.864 -1.736 1.00 0.68 C ATOM 2610 C GLN B 71 169.235 -14.148 -2.509 1.00 0.58 C ATOM 2611 O GLN B 71 170.404 -14.361 -2.260 1.00 0.58 O ATOM 2612 CB GLN B 71 166.944 -15.181 -2.658 1.00 0.73 C ATOM 2613 CG GLN B 71 166.022 -16.192 -1.974 1.00 1.13 C ATOM 2614 CD GLN B 71 166.595 -17.601 -2.139 1.00 1.30 C ATOM 2615 OE1 GLN B 71 167.626 -17.920 -1.579 1.00 2.00 O ATOM 2616 NE2 GLN B 71 165.967 -18.464 -2.889 1.00 1.72 N ATOM 0 H GLN B 71 166.557 -13.813 -0.731 1.00 0.65 H new ATOM 0 HA GLN B 71 168.566 -15.767 -1.317 1.00 0.68 H new ATOM 0 HB2 GLN B 71 166.394 -14.269 -2.890 1.00 0.73 H new ATOM 0 HB3 GLN B 71 167.306 -15.584 -3.604 1.00 0.73 H new ATOM 0 HG2 GLN B 71 165.922 -15.951 -0.916 1.00 1.13 H new ATOM 0 HG3 GLN B 71 165.024 -16.141 -2.408 1.00 1.13 H new ATOM 0 HE21 GLN B 71 165.102 -18.197 -3.359 1.00 1.72 H new ATOM 0 HE22 GLN B 71 166.341 -19.406 -3.005 1.00 1.72 H new ATOM 2625 N ASN B 72 168.880 -13.316 -3.455 1.00 0.54 N ATOM 2626 CA ASN B 72 169.919 -12.598 -4.259 1.00 0.50 C ATOM 2627 C ASN B 72 171.107 -12.198 -3.379 1.00 0.46 C ATOM 2628 O ASN B 72 172.231 -12.124 -3.836 1.00 0.46 O ATOM 2629 CB ASN B 72 169.217 -11.358 -4.818 1.00 0.52 C ATOM 2630 CG ASN B 72 168.311 -10.745 -3.750 1.00 0.50 C ATOM 2631 OD1 ASN B 72 167.018 -10.881 -3.858 1.00 0.70 O flip ATOM 2632 ND2 ASN B 72 168.782 -10.134 -2.811 1.00 0.67 N flip ATOM 0 H ASN B 72 167.915 -13.102 -3.707 1.00 0.54 H new ATOM 0 HA ASN B 72 170.320 -13.228 -5.053 1.00 0.50 H new ATOM 0 HB2 ASN B 72 169.957 -10.626 -5.143 1.00 0.52 H new ATOM 0 HB3 ASN B 72 168.629 -11.627 -5.695 1.00 0.52 H new ATOM 0 HD21 ASN B 72 169.793 -10.028 -2.727 1.00 0.67 H new ATOM 0 HD22 ASN B 72 168.166 -9.727 -2.107 1.00 0.67 H new ATOM 2639 N ALA B 73 170.873 -11.950 -2.120 1.00 0.50 N ATOM 2640 CA ALA B 73 171.997 -11.566 -1.219 1.00 0.54 C ATOM 2641 C ALA B 73 172.840 -12.798 -0.875 1.00 0.54 C ATOM 2642 O ALA B 73 174.049 -12.727 -0.764 1.00 0.57 O ATOM 2643 CB ALA B 73 171.323 -11.009 0.035 1.00 0.64 C ATOM 0 H ALA B 73 169.956 -11.996 -1.677 1.00 0.50 H new ATOM 0 HA ALA B 73 172.668 -10.840 -1.678 1.00 0.54 H new ATOM 0 HB1 ALA B 73 172.085 -10.702 0.752 1.00 0.64 H new ATOM 0 HB2 ALA B 73 170.710 -10.149 -0.233 1.00 0.64 H new ATOM 0 HB3 ALA B 73 170.693 -11.778 0.482 1.00 0.64 H new ATOM 2649 N LEU B 74 172.209 -13.927 -0.701 1.00 0.54 N ATOM 2650 CA LEU B 74 172.967 -15.163 -0.356 1.00 0.57 C ATOM 2651 C LEU B 74 173.600 -15.784 -1.607 1.00 0.52 C ATOM 2652 O LEU B 74 174.712 -16.274 -1.565 1.00 0.54 O ATOM 2653 CB LEU B 74 171.928 -16.109 0.247 1.00 0.60 C ATOM 2654 CG LEU B 74 171.912 -15.947 1.768 1.00 0.76 C ATOM 2655 CD1 LEU B 74 171.855 -14.461 2.127 1.00 1.30 C ATOM 2656 CD2 LEU B 74 170.684 -16.655 2.343 1.00 0.94 C ATOM 0 H LEU B 74 171.199 -14.047 -0.783 1.00 0.54 H new ATOM 0 HA LEU B 74 173.786 -14.958 0.334 1.00 0.57 H new ATOM 0 HB2 LEU B 74 170.942 -15.892 -0.163 1.00 0.60 H new ATOM 0 HB3 LEU B 74 172.163 -17.140 -0.017 1.00 0.60 H new ATOM 0 HG LEU B 74 172.817 -16.386 2.187 1.00 0.76 H new ATOM 0 HD11 LEU B 74 171.844 -14.349 3.211 1.00 1.30 H new ATOM 0 HD12 LEU B 74 172.729 -13.954 1.719 1.00 1.30 H new ATOM 0 HD13 LEU B 74 170.951 -14.020 1.707 1.00 1.30 H new ATOM 0 HD21 LEU B 74 170.672 -16.540 3.427 1.00 0.94 H new ATOM 0 HD22 LEU B 74 169.780 -16.216 1.921 1.00 0.94 H new ATOM 0 HD23 LEU B 74 170.724 -17.715 2.091 1.00 0.94 H new ATOM 2668 N LEU B 75 172.915 -15.773 -2.721 1.00 0.48 N ATOM 2669 CA LEU B 75 173.511 -16.372 -3.951 1.00 0.46 C ATOM 2670 C LEU B 75 174.765 -15.592 -4.352 1.00 0.45 C ATOM 2671 O LEU B 75 175.769 -16.162 -4.730 1.00 0.49 O ATOM 2672 CB LEU B 75 172.441 -16.248 -5.037 1.00 0.46 C ATOM 2673 CG LEU B 75 171.240 -17.132 -4.699 1.00 0.50 C ATOM 2674 CD1 LEU B 75 170.151 -16.288 -4.042 1.00 0.52 C ATOM 2675 CD2 LEU B 75 170.686 -17.743 -5.987 1.00 0.50 C ATOM 0 H LEU B 75 171.980 -15.380 -2.832 1.00 0.48 H new ATOM 0 HA LEU B 75 173.804 -17.411 -3.796 1.00 0.46 H new ATOM 0 HB2 LEU B 75 172.123 -15.209 -5.128 1.00 0.46 H new ATOM 0 HB3 LEU B 75 172.856 -16.540 -6.002 1.00 0.46 H new ATOM 0 HG LEU B 75 171.553 -17.922 -4.016 1.00 0.50 H new ATOM 0 HD11 LEU B 75 169.296 -16.920 -3.802 1.00 0.52 H new ATOM 0 HD12 LEU B 75 170.540 -15.841 -3.127 1.00 0.52 H new ATOM 0 HD13 LEU B 75 169.839 -15.500 -4.727 1.00 0.52 H new ATOM 0 HD21 LEU B 75 169.829 -18.374 -5.751 1.00 0.50 H new ATOM 0 HD22 LEU B 75 170.375 -16.947 -6.663 1.00 0.50 H new ATOM 0 HD23 LEU B 75 171.459 -18.344 -6.466 1.00 0.50 H new ATOM 2687 N GLU B 76 174.715 -14.289 -4.272 1.00 0.50 N ATOM 2688 CA GLU B 76 175.906 -13.473 -4.648 1.00 0.54 C ATOM 2689 C GLU B 76 177.047 -13.718 -3.656 1.00 0.57 C ATOM 2690 O GLU B 76 178.204 -13.784 -4.027 1.00 0.59 O ATOM 2691 CB GLU B 76 175.433 -12.022 -4.575 1.00 0.64 C ATOM 2692 CG GLU B 76 176.522 -11.103 -5.132 1.00 0.68 C ATOM 2693 CD GLU B 76 175.874 -9.876 -5.774 1.00 0.73 C ATOM 2694 OE1 GLU B 76 174.922 -10.054 -6.517 1.00 1.35 O ATOM 2695 OE2 GLU B 76 176.338 -8.779 -5.512 1.00 1.30 O ATOM 0 H GLU B 76 173.903 -13.755 -3.963 1.00 0.50 H new ATOM 0 HA GLU B 76 176.285 -13.727 -5.638 1.00 0.54 H new ATOM 0 HB2 GLU B 76 174.512 -11.899 -5.145 1.00 0.64 H new ATOM 0 HB3 GLU B 76 175.208 -11.753 -3.543 1.00 0.64 H new ATOM 0 HG2 GLU B 76 177.197 -10.795 -4.333 1.00 0.68 H new ATOM 0 HG3 GLU B 76 177.122 -11.637 -5.868 1.00 0.68 H new ATOM 2702 N GLN B 77 176.729 -13.860 -2.396 1.00 0.65 N ATOM 2703 CA GLN B 77 177.797 -14.106 -1.384 1.00 0.74 C ATOM 2704 C GLN B 77 178.370 -15.516 -1.552 1.00 0.69 C ATOM 2705 O GLN B 77 179.300 -15.903 -0.873 1.00 0.74 O ATOM 2706 CB GLN B 77 177.105 -13.965 -0.028 1.00 0.86 C ATOM 2707 CG GLN B 77 178.140 -14.116 1.088 1.00 1.31 C ATOM 2708 CD GLN B 77 179.127 -12.948 1.031 1.00 1.40 C ATOM 2709 OE1 GLN B 77 178.738 -11.819 0.806 1.00 2.10 O ATOM 2710 NE2 GLN B 77 180.397 -13.173 1.227 1.00 1.83 N ATOM 0 H GLN B 77 175.780 -13.816 -2.025 1.00 0.65 H new ATOM 0 HA GLN B 77 178.630 -13.410 -1.488 1.00 0.74 H new ATOM 0 HB2 GLN B 77 176.616 -12.994 0.044 1.00 0.86 H new ATOM 0 HB3 GLN B 77 176.328 -14.722 0.077 1.00 0.86 H new ATOM 0 HG2 GLN B 77 177.644 -14.139 2.058 1.00 1.31 H new ATOM 0 HG3 GLN B 77 178.672 -15.061 0.979 1.00 1.31 H new ATOM 0 HE21 GLN B 77 180.724 -14.121 1.416 1.00 1.83 H new ATOM 0 HE22 GLN B 77 181.063 -12.401 1.191 1.00 1.83 H new ATOM 2719 N GLN B 78 177.840 -16.279 -2.469 1.00 0.61 N ATOM 2720 CA GLN B 78 178.371 -17.651 -2.694 1.00 0.61 C ATOM 2721 C GLN B 78 179.225 -17.616 -3.949 1.00 0.53 C ATOM 2722 O GLN B 78 180.348 -18.077 -3.975 1.00 0.56 O ATOM 2723 CB GLN B 78 177.141 -18.537 -2.893 1.00 0.65 C ATOM 2724 CG GLN B 78 177.580 -19.998 -3.019 1.00 0.73 C ATOM 2725 CD GLN B 78 177.588 -20.651 -1.636 1.00 1.14 C ATOM 2726 OE1 GLN B 78 177.856 -20.000 -0.646 1.00 1.98 O ATOM 2727 NE2 GLN B 78 177.303 -21.919 -1.525 1.00 1.54 N ATOM 0 H GLN B 78 177.062 -16.010 -3.072 1.00 0.61 H new ATOM 0 HA GLN B 78 178.982 -18.024 -1.872 1.00 0.61 H new ATOM 0 HB2 GLN B 78 176.457 -18.423 -2.052 1.00 0.65 H new ATOM 0 HB3 GLN B 78 176.599 -18.230 -3.788 1.00 0.65 H new ATOM 0 HG2 GLN B 78 176.903 -20.536 -3.683 1.00 0.73 H new ATOM 0 HG3 GLN B 78 178.573 -20.053 -3.464 1.00 0.73 H new ATOM 0 HE21 GLN B 78 177.078 -22.466 -2.356 1.00 1.54 H new ATOM 0 HE22 GLN B 78 177.305 -22.364 -0.607 1.00 1.54 H new ATOM 2736 N VAL B 79 178.701 -17.023 -4.978 1.00 0.46 N ATOM 2737 CA VAL B 79 179.468 -16.889 -6.236 1.00 0.48 C ATOM 2738 C VAL B 79 180.854 -16.324 -5.907 1.00 0.50 C ATOM 2739 O VAL B 79 181.833 -16.622 -6.563 1.00 0.59 O ATOM 2740 CB VAL B 79 178.617 -15.916 -7.067 1.00 0.56 C ATOM 2741 CG1 VAL B 79 179.499 -14.889 -7.773 1.00 0.77 C ATOM 2742 CG2 VAL B 79 177.831 -16.707 -8.114 1.00 0.50 C ATOM 0 H VAL B 79 177.764 -16.622 -5.000 1.00 0.46 H new ATOM 0 HA VAL B 79 179.640 -17.822 -6.773 1.00 0.48 H new ATOM 0 HB VAL B 79 177.936 -15.389 -6.399 1.00 0.56 H new ATOM 0 HG11 VAL B 79 178.874 -14.211 -8.355 1.00 0.77 H new ATOM 0 HG12 VAL B 79 180.059 -14.319 -7.031 1.00 0.77 H new ATOM 0 HG13 VAL B 79 180.194 -15.402 -8.437 1.00 0.77 H new ATOM 0 HG21 VAL B 79 177.225 -16.023 -8.707 1.00 0.50 H new ATOM 0 HG22 VAL B 79 178.525 -17.236 -8.767 1.00 0.50 H new ATOM 0 HG23 VAL B 79 177.182 -17.427 -7.615 1.00 0.50 H new