USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 769 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 120 MET CE :methyl 167:sc= -1.76 (180deg=-0.229) USER MOD Set 1.2: A 125 GLN : amide:sc= -3.39 K(o=-5.2,f=-11!) USER MOD Set 2.1: A 70 THR OG1 : rot -57:sc= 0.93 USER MOD Set 2.2: A 109 THR OG1 : rot 69:sc= 2.24 USER MOD Set 3.1: A 86 HIS : no HE2:sc= -3.5 X(o=-5,f=-5.4) USER MOD Set 3.2: A 88 ASN : amide:sc= -0.388 K(o=-5,f=-7.6!) USER MOD Set 3.3: A 108 SER OG : rot 130:sc= -1.12 USER MOD Set 4.1: A 36 ASN : amide:sc= -0.974 K(o=-0.7,f=0.21) USER MOD Set 4.2: A 77 TYR OH : rot -61:sc= 0.274 USER MOD Set 5.1: A 74 LYS NZ :NH3+ 139:sc= 0.688 (180deg=-0.881!) USER MOD Set 5.2: A 85 THR OG1 : rot 112:sc= 1.18 USER MOD Set 5.3: A 111 SER OG : rot -156:sc= 0.704 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 115:sc= -2.27 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 125:sc= -5.26! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 57 GLN : amide:sc= -1.33 K(o=-1.3,f=-0.045) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 50:sc= -3.01! USER MOD Single : A 62 MET CE :methyl -163:sc= -4.46! (180deg=-5.24) USER MOD Single : A 65 THR OG1 : rot 97:sc= -0.131 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 175:sc= -3.14 (180deg=-3.24!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0143 USER MOD Single : A 119 SER OG : rot -46:sc= 0.0358 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.00483 USER MOD Single : A 123 GLN : amide:sc= -1.85 X(o=-1.9,f=-1.5) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.3) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 180:sc= -1.3 USER MOD ----------------------------------------------------------------- ATOM 318 N ASP A 21 -4.774 -14.051 -8.019 1.00 0.00 N ATOM 319 CA ASP A 21 -4.428 -15.070 -7.034 1.00 0.00 C ATOM 320 C ASP A 21 -3.496 -14.502 -5.967 1.00 0.00 C ATOM 321 O ASP A 21 -2.356 -14.139 -6.254 1.00 0.00 O ATOM 322 CB ASP A 21 -3.769 -16.269 -7.718 1.00 0.00 C ATOM 323 CG ASP A 21 -4.785 -17.222 -8.315 1.00 0.00 C ATOM 324 OD1 ASP A 21 -5.461 -16.834 -9.291 1.00 0.00 O ATOM 325 OD2 ASP A 21 -4.904 -18.357 -7.807 1.00 0.00 O ATOM 0 HA ASP A 21 -5.348 -15.398 -6.550 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.102 -15.914 -8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.154 -16.804 -6.995 1.00 0.00 H new ATOM 330 N ARG A 22 -3.991 -14.430 -4.735 1.00 0.00 N ATOM 331 CA ARG A 22 -3.213 -13.905 -3.614 1.00 0.00 C ATOM 332 C ARG A 22 -1.800 -14.491 -3.581 1.00 0.00 C ATOM 333 O ARG A 22 -0.873 -13.866 -3.066 1.00 0.00 O ATOM 334 CB ARG A 22 -3.929 -14.204 -2.294 1.00 0.00 C ATOM 335 CG ARG A 22 -4.534 -12.973 -1.637 1.00 0.00 C ATOM 336 CD ARG A 22 -5.881 -12.620 -2.246 1.00 0.00 C ATOM 337 NE ARG A 22 -6.943 -13.510 -1.783 1.00 0.00 N ATOM 338 CZ ARG A 22 -8.170 -13.531 -2.298 1.00 0.00 C ATOM 339 NH1 ARG A 22 -8.493 -12.715 -3.293 1.00 0.00 N ATOM 340 NH2 ARG A 22 -9.076 -14.372 -1.817 1.00 0.00 N ATOM 0 H ARG A 22 -4.933 -14.730 -4.485 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.125 -12.827 -3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.718 -14.934 -2.476 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.222 -14.664 -1.603 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.653 -13.151 -0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.852 -12.129 -1.746 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.135 -11.591 -1.992 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.812 -12.673 -3.333 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.732 -14.153 -1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.799 -12.067 -3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.435 -12.735 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.832 -15.002 -1.053 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.017 -14.389 -2.211 1.00 0.00 H new ATOM 354 N GLU A 23 -1.644 -15.696 -4.122 1.00 0.00 N ATOM 355 CA GLU A 23 -0.344 -16.364 -4.139 1.00 0.00 C ATOM 356 C GLU A 23 0.368 -16.179 -5.479 1.00 0.00 C ATOM 357 O GLU A 23 1.542 -15.812 -5.521 1.00 0.00 O ATOM 358 CB GLU A 23 -0.515 -17.856 -3.839 1.00 0.00 C ATOM 359 CG GLU A 23 0.303 -18.332 -2.648 1.00 0.00 C ATOM 360 CD GLU A 23 -0.559 -18.907 -1.540 1.00 0.00 C ATOM 361 OE1 GLU A 23 -1.172 -18.115 -0.795 1.00 0.00 O ATOM 362 OE2 GLU A 23 -0.619 -20.148 -1.418 1.00 0.00 O ATOM 0 H GLU A 23 -2.399 -16.230 -4.554 1.00 0.00 H new ATOM 0 HA GLU A 23 0.274 -15.907 -3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.569 -18.063 -3.652 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.229 -18.431 -4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.014 -19.089 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.885 -17.498 -2.255 1.00 0.00 H new ATOM 369 N LYS A 24 -0.344 -16.445 -6.572 1.00 0.00 N ATOM 370 CA LYS A 24 0.230 -16.314 -7.910 1.00 0.00 C ATOM 371 C LYS A 24 -0.026 -14.927 -8.494 1.00 0.00 C ATOM 372 O LYS A 24 -0.126 -14.763 -9.710 1.00 0.00 O ATOM 373 CB LYS A 24 -0.346 -17.384 -8.839 1.00 0.00 C ATOM 374 CG LYS A 24 0.017 -18.803 -8.432 1.00 0.00 C ATOM 375 CD LYS A 24 1.472 -19.116 -8.739 1.00 0.00 C ATOM 376 CE LYS A 24 1.695 -20.609 -8.919 1.00 0.00 C ATOM 377 NZ LYS A 24 2.242 -21.241 -7.687 1.00 0.00 N ATOM 0 H LYS A 24 -1.317 -16.752 -6.558 1.00 0.00 H new ATOM 0 HA LYS A 24 1.308 -16.451 -7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.432 -17.288 -8.861 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.011 -17.203 -9.853 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.167 -18.935 -7.366 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.627 -19.509 -8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.775 -18.590 -9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.103 -18.748 -7.930 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.752 -21.087 -9.185 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.382 -20.776 -9.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.380 -22.259 -7.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.154 -20.802 -7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.575 -21.104 -6.901 1.00 0.00 H new ATOM 391 N THR A 25 -0.133 -13.933 -7.621 1.00 0.00 N ATOM 392 CA THR A 25 -0.380 -12.558 -8.045 1.00 0.00 C ATOM 393 C THR A 25 0.882 -11.915 -8.612 1.00 0.00 C ATOM 394 O THR A 25 1.991 -12.410 -8.411 1.00 0.00 O ATOM 395 CB THR A 25 -0.885 -11.727 -6.869 1.00 0.00 C ATOM 396 OG1 THR A 25 -0.971 -10.361 -7.224 1.00 0.00 O ATOM 397 CG2 THR A 25 0.002 -11.829 -5.645 1.00 0.00 C ATOM 0 H THR A 25 -0.052 -14.053 -6.611 1.00 0.00 H new ATOM 0 HA THR A 25 -1.137 -12.586 -8.829 1.00 0.00 H new ATOM 0 HB THR A 25 -1.866 -12.133 -6.624 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.909 -10.077 -7.205 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.411 -11.216 -4.844 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.052 -12.867 -5.318 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.004 -11.477 -5.891 1.00 0.00 H new ATOM 405 N SER A 26 0.702 -10.797 -9.312 1.00 0.00 N ATOM 406 CA SER A 26 1.820 -10.068 -9.900 1.00 0.00 C ATOM 407 C SER A 26 2.093 -8.785 -9.114 1.00 0.00 C ATOM 408 O SER A 26 1.176 -8.005 -8.853 1.00 0.00 O ATOM 409 CB SER A 26 1.525 -9.732 -11.364 1.00 0.00 C ATOM 410 OG SER A 26 2.713 -9.390 -12.057 1.00 0.00 O ATOM 0 H SER A 26 -0.211 -10.376 -9.485 1.00 0.00 H new ATOM 0 HA SER A 26 2.706 -10.702 -9.856 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.051 -10.586 -11.848 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.819 -8.903 -11.415 1.00 0.00 H new ATOM 0 HG SER A 26 2.499 -9.181 -12.990 1.00 0.00 H new ATOM 416 N PRO A 27 3.356 -8.547 -8.717 1.00 0.00 N ATOM 417 CA PRO A 27 3.728 -7.354 -7.951 1.00 0.00 C ATOM 418 C PRO A 27 3.788 -6.092 -8.809 1.00 0.00 C ATOM 419 O PRO A 27 4.177 -6.138 -9.976 1.00 0.00 O ATOM 420 CB PRO A 27 5.118 -7.702 -7.419 1.00 0.00 C ATOM 421 CG PRO A 27 5.682 -8.638 -8.431 1.00 0.00 C ATOM 422 CD PRO A 27 4.517 -9.423 -8.972 1.00 0.00 C ATOM 0 HA PRO A 27 2.996 -7.127 -7.176 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.737 -6.811 -7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.061 -8.168 -6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.187 -8.092 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.421 -9.300 -7.980 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.635 -9.633 -10.035 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.412 -10.383 -8.467 1.00 0.00 H new ATOM 430 N LEU A 28 3.406 -4.964 -8.214 1.00 0.00 N ATOM 431 CA LEU A 28 3.420 -3.681 -8.909 1.00 0.00 C ATOM 432 C LEU A 28 4.098 -2.617 -8.049 1.00 0.00 C ATOM 433 O LEU A 28 4.101 -2.713 -6.821 1.00 0.00 O ATOM 434 CB LEU A 28 1.996 -3.244 -9.260 1.00 0.00 C ATOM 435 CG LEU A 28 1.129 -2.834 -8.065 1.00 0.00 C ATOM 436 CD1 LEU A 28 0.752 -1.363 -8.154 1.00 0.00 C ATOM 437 CD2 LEU A 28 -0.120 -3.701 -7.989 1.00 0.00 C ATOM 0 H LEU A 28 3.082 -4.914 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 28 3.986 -3.799 -9.833 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.051 -2.405 -9.954 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.501 -4.061 -9.785 1.00 0.00 H new ATOM 0 HG LEU A 28 1.709 -2.984 -7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.137 -1.093 -7.296 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.657 -0.755 -8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.192 -1.186 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.724 -3.395 -7.134 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.701 -3.583 -8.904 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.169 -4.746 -7.874 1.00 0.00 H new ATOM 449 N LEU A 29 4.680 -1.614 -8.697 1.00 0.00 N ATOM 450 CA LEU A 29 5.372 -0.546 -7.984 1.00 0.00 C ATOM 451 C LEU A 29 4.468 0.663 -7.753 1.00 0.00 C ATOM 452 O LEU A 29 3.920 1.234 -8.695 1.00 0.00 O ATOM 453 CB LEU A 29 6.619 -0.116 -8.757 1.00 0.00 C ATOM 454 CG LEU A 29 7.599 0.756 -7.969 1.00 0.00 C ATOM 455 CD1 LEU A 29 7.925 0.113 -6.630 1.00 0.00 C ATOM 456 CD2 LEU A 29 8.867 0.993 -8.775 1.00 0.00 C ATOM 0 H LEU A 29 4.687 -1.518 -9.712 1.00 0.00 H new ATOM 0 HA LEU A 29 5.662 -0.940 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.143 -1.009 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.306 0.429 -9.648 1.00 0.00 H new ATOM 0 HG LEU A 29 7.129 1.721 -7.779 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.623 0.746 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.010 -0.004 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.376 -0.865 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.553 1.615 -8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.342 0.037 -8.995 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.616 1.497 -9.708 1.00 0.00 H new ATOM 468 N LEU A 30 4.323 1.043 -6.490 1.00 0.00 N ATOM 469 CA LEU A 30 3.492 2.190 -6.123 1.00 0.00 C ATOM 470 C LEU A 30 4.230 3.128 -5.167 1.00 0.00 C ATOM 471 O LEU A 30 5.245 2.758 -4.577 1.00 0.00 O ATOM 472 CB LEU A 30 2.181 1.716 -5.493 1.00 0.00 C ATOM 473 CG LEU A 30 2.311 1.127 -4.087 1.00 0.00 C ATOM 474 CD1 LEU A 30 2.427 2.236 -3.052 1.00 0.00 C ATOM 475 CD2 LEU A 30 1.124 0.229 -3.774 1.00 0.00 C ATOM 0 H LEU A 30 4.769 0.576 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 30 3.268 2.746 -7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.489 2.558 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.734 0.965 -6.144 1.00 0.00 H new ATOM 0 HG LEU A 30 3.219 0.525 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.519 1.798 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.308 2.841 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.537 2.864 -3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.233 -0.181 -2.770 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.203 0.810 -3.831 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.084 -0.586 -4.497 1.00 0.00 H new ATOM 487 N ARG A 31 3.712 4.347 -5.023 1.00 0.00 N ATOM 488 CA ARG A 31 4.320 5.342 -4.142 1.00 0.00 C ATOM 489 C ARG A 31 3.691 5.310 -2.749 1.00 0.00 C ATOM 490 O ARG A 31 2.470 5.197 -2.610 1.00 0.00 O ATOM 491 CB ARG A 31 4.175 6.741 -4.749 1.00 0.00 C ATOM 492 CG ARG A 31 5.498 7.476 -4.908 1.00 0.00 C ATOM 493 CD ARG A 31 5.726 7.922 -6.344 1.00 0.00 C ATOM 494 NE ARG A 31 6.969 7.383 -6.892 1.00 0.00 N ATOM 495 CZ ARG A 31 7.205 7.237 -8.195 1.00 0.00 C ATOM 496 NH1 ARG A 31 6.291 7.594 -9.088 1.00 0.00 N ATOM 497 NH2 ARG A 31 8.361 6.736 -8.605 1.00 0.00 N ATOM 0 H ARG A 31 2.873 4.669 -5.505 1.00 0.00 H new ATOM 0 HA ARG A 31 5.378 5.099 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.696 6.657 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.513 7.335 -4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.512 8.345 -4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.315 6.826 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.887 7.600 -6.961 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.753 9.011 -6.386 1.00 0.00 H new ATOM 0 HE ARG A 31 7.699 7.102 -6.238 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.400 7.983 -8.779 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.479 7.479 -10.084 1.00 0.00 H new ATOM 0 HH21 ARG A 31 9.069 6.463 -7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 31 8.543 6.624 -9.602 1.00 0.00 H new ATOM 511 N VAL A 32 4.531 5.416 -1.721 1.00 0.00 N ATOM 512 CA VAL A 32 4.054 5.401 -0.341 1.00 0.00 C ATOM 513 C VAL A 32 4.688 6.518 0.484 1.00 0.00 C ATOM 514 O VAL A 32 5.795 6.969 0.192 1.00 0.00 O ATOM 515 CB VAL A 32 4.343 4.054 0.356 1.00 0.00 C ATOM 516 CG1 VAL A 32 3.164 3.110 0.197 1.00 0.00 C ATOM 517 CG2 VAL A 32 5.620 3.425 -0.184 1.00 0.00 C ATOM 0 H VAL A 32 5.542 5.513 -1.818 1.00 0.00 H new ATOM 0 HA VAL A 32 2.976 5.552 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 32 4.489 4.243 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.385 2.165 0.694 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.277 3.557 0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.983 2.929 -0.863 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.801 2.477 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.515 3.249 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.460 4.097 -0.008 1.00 0.00 H new ATOM 527 N PHE A 33 3.977 6.947 1.522 1.00 0.00 N ATOM 528 CA PHE A 33 4.460 8.001 2.407 1.00 0.00 C ATOM 529 C PHE A 33 4.443 7.519 3.852 1.00 0.00 C ATOM 530 O PHE A 33 3.393 7.484 4.493 1.00 0.00 O ATOM 531 CB PHE A 33 3.599 9.256 2.257 1.00 0.00 C ATOM 532 CG PHE A 33 3.483 9.726 0.836 1.00 0.00 C ATOM 533 CD1 PHE A 33 2.831 8.952 -0.109 1.00 0.00 C ATOM 534 CD2 PHE A 33 4.030 10.936 0.444 1.00 0.00 C ATOM 535 CE1 PHE A 33 2.726 9.375 -1.419 1.00 0.00 C ATOM 536 CE2 PHE A 33 3.928 11.366 -0.865 1.00 0.00 C ATOM 537 CZ PHE A 33 3.275 10.584 -1.798 1.00 0.00 C ATOM 0 H PHE A 33 3.059 6.578 1.772 1.00 0.00 H new ATOM 0 HA PHE A 33 5.485 8.248 2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.602 9.054 2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.024 10.055 2.864 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.399 8.006 0.182 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.542 11.551 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.215 8.761 -2.146 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.358 12.312 -1.158 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.194 10.918 -2.822 1.00 0.00 H new ATOM 547 N THR A 34 5.610 7.129 4.352 1.00 0.00 N ATOM 548 CA THR A 34 5.722 6.625 5.715 1.00 0.00 C ATOM 549 C THR A 34 6.363 7.644 6.650 1.00 0.00 C ATOM 550 O THR A 34 7.508 8.051 6.455 1.00 0.00 O ATOM 551 CB THR A 34 6.535 5.332 5.728 1.00 0.00 C ATOM 552 OG1 THR A 34 7.753 5.503 5.030 1.00 0.00 O ATOM 553 CG2 THR A 34 5.808 4.159 5.104 1.00 0.00 C ATOM 0 H THR A 34 6.489 7.152 3.836 1.00 0.00 H new ATOM 0 HA THR A 34 4.712 6.432 6.076 1.00 0.00 H new ATOM 0 HB THR A 34 6.709 5.110 6.781 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.502 5.261 5.614 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.442 3.274 5.147 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.884 3.970 5.651 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.573 4.388 4.064 1.00 0.00 H new ATOM 561 N THR A 35 5.622 8.027 7.684 1.00 0.00 N ATOM 562 CA THR A 35 6.114 8.972 8.680 1.00 0.00 C ATOM 563 C THR A 35 6.459 8.217 9.961 1.00 0.00 C ATOM 564 O THR A 35 6.036 7.077 10.139 1.00 0.00 O ATOM 565 CB THR A 35 5.069 10.058 8.962 1.00 0.00 C ATOM 566 OG1 THR A 35 5.288 10.649 10.232 1.00 0.00 O ATOM 567 CG2 THR A 35 3.642 9.550 8.936 1.00 0.00 C ATOM 0 H THR A 35 4.673 7.695 7.855 1.00 0.00 H new ATOM 0 HA THR A 35 7.009 9.462 8.296 1.00 0.00 H new ATOM 0 HB THR A 35 5.192 10.784 8.158 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.612 11.340 10.392 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.959 10.373 9.144 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.421 9.135 7.953 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.518 8.776 9.693 1.00 0.00 H new ATOM 575 N ASN A 36 7.229 8.838 10.850 1.00 0.00 N ATOM 576 CA ASN A 36 7.611 8.182 12.097 1.00 0.00 C ATOM 577 C ASN A 36 6.822 8.734 13.279 1.00 0.00 C ATOM 578 O ASN A 36 7.264 8.648 14.426 1.00 0.00 O ATOM 579 CB ASN A 36 9.110 8.349 12.345 1.00 0.00 C ATOM 580 CG ASN A 36 9.708 7.172 13.091 1.00 0.00 C ATOM 581 OD1 ASN A 36 10.222 6.232 12.485 1.00 0.00 O ATOM 582 ND2 ASN A 36 9.640 7.218 14.416 1.00 0.00 N ATOM 0 H ASN A 36 7.597 9.782 10.733 1.00 0.00 H new ATOM 0 HA ASN A 36 7.379 7.121 12.001 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.622 8.468 11.390 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.282 9.262 12.915 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.023 6.454 14.973 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.205 8.017 14.877 1.00 0.00 H new ATOM 589 N ASN A 37 5.652 9.298 12.997 1.00 0.00 N ATOM 590 CA ASN A 37 4.804 9.860 14.043 1.00 0.00 C ATOM 591 C ASN A 37 3.396 9.267 13.999 1.00 0.00 C ATOM 592 O ASN A 37 2.583 9.515 14.889 1.00 0.00 O ATOM 593 CB ASN A 37 4.735 11.382 13.908 1.00 0.00 C ATOM 594 CG ASN A 37 4.819 12.085 15.250 1.00 0.00 C ATOM 595 OD1 ASN A 37 5.820 11.980 15.957 1.00 0.00 O ATOM 596 ND2 ASN A 37 3.762 12.804 15.607 1.00 0.00 N ATOM 0 H ASN A 37 5.270 9.378 12.055 1.00 0.00 H new ATOM 0 HA ASN A 37 5.248 9.604 15.005 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.549 11.725 13.269 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.804 11.659 13.413 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.759 13.298 16.500 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.953 12.863 14.989 1.00 0.00 H new ATOM 603 N GLY A 38 3.110 8.481 12.961 1.00 0.00 N ATOM 604 CA GLY A 38 1.801 7.870 12.830 1.00 0.00 C ATOM 605 C GLY A 38 0.676 8.884 12.831 1.00 0.00 C ATOM 606 O GLY A 38 -0.246 8.794 13.640 1.00 0.00 O ATOM 0 H GLY A 38 3.763 8.258 12.210 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.765 7.295 11.905 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.650 7.166 13.649 1.00 0.00 H new ATOM 610 N ARG A 39 0.749 9.853 11.924 1.00 0.00 N ATOM 611 CA ARG A 39 -0.280 10.881 11.835 1.00 0.00 C ATOM 612 C ARG A 39 -0.226 11.617 10.499 1.00 0.00 C ATOM 613 O ARG A 39 0.515 12.587 10.344 1.00 0.00 O ATOM 614 CB ARG A 39 -0.130 11.881 12.984 1.00 0.00 C ATOM 615 CG ARG A 39 -1.457 12.361 13.547 1.00 0.00 C ATOM 616 CD ARG A 39 -1.334 12.741 15.014 1.00 0.00 C ATOM 617 NE ARG A 39 -2.205 13.862 15.362 1.00 0.00 N ATOM 618 CZ ARG A 39 -3.530 13.770 15.458 1.00 0.00 C ATOM 619 NH1 ARG A 39 -4.139 12.613 15.232 1.00 0.00 N ATOM 620 NH2 ARG A 39 -4.246 14.838 15.779 1.00 0.00 N ATOM 0 H ARG A 39 1.504 9.947 11.245 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.248 10.385 11.908 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.449 11.419 13.784 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.440 12.742 12.634 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.807 13.221 12.975 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.206 11.577 13.434 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.585 11.880 15.634 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.299 13.003 15.236 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.772 14.768 15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.592 11.789 14.983 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.154 12.548 15.307 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.782 15.730 15.952 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.261 14.768 15.853 1.00 0.00 H new ATOM 864 N GLU A 55 8.775 9.640 1.337 1.00 0.00 N ATOM 865 CA GLU A 55 8.047 8.655 0.544 1.00 0.00 C ATOM 866 C GLU A 55 8.965 7.536 0.063 1.00 0.00 C ATOM 867 O GLU A 55 10.153 7.752 -0.181 1.00 0.00 O ATOM 868 CB GLU A 55 7.378 9.329 -0.656 1.00 0.00 C ATOM 869 CG GLU A 55 8.308 10.241 -1.439 1.00 0.00 C ATOM 870 CD GLU A 55 7.706 10.695 -2.754 1.00 0.00 C ATOM 871 OE1 GLU A 55 6.767 11.521 -2.725 1.00 0.00 O ATOM 872 OE2 GLU A 55 8.170 10.227 -3.815 1.00 0.00 O ATOM 0 HA GLU A 55 7.283 8.215 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.990 8.560 -1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.524 9.909 -0.307 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.550 11.114 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.245 9.719 -1.633 1.00 0.00 H new ATOM 879 N LEU A 56 8.400 6.341 -0.079 1.00 0.00 N ATOM 880 CA LEU A 56 9.157 5.181 -0.540 1.00 0.00 C ATOM 881 C LEU A 56 8.373 4.410 -1.594 1.00 0.00 C ATOM 882 O LEU A 56 7.296 4.834 -2.017 1.00 0.00 O ATOM 883 CB LEU A 56 9.515 4.248 0.626 1.00 0.00 C ATOM 884 CG LEU A 56 8.604 4.334 1.858 1.00 0.00 C ATOM 885 CD1 LEU A 56 7.850 3.026 2.065 1.00 0.00 C ATOM 886 CD2 LEU A 56 9.421 4.683 3.094 1.00 0.00 C ATOM 0 H LEU A 56 7.418 6.150 0.119 1.00 0.00 H new ATOM 0 HA LEU A 56 10.082 5.550 -0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.504 3.221 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.537 4.464 0.938 1.00 0.00 H new ATOM 0 HG LEU A 56 7.871 5.124 1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.210 3.110 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.237 2.817 1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.563 2.214 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.763 4.741 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.175 3.913 3.261 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.912 5.645 2.946 1.00 0.00 H new ATOM 898 N GLN A 57 8.919 3.275 -2.017 1.00 0.00 N ATOM 899 CA GLN A 57 8.271 2.441 -3.024 1.00 0.00 C ATOM 900 C GLN A 57 8.072 1.019 -2.509 1.00 0.00 C ATOM 901 O GLN A 57 8.940 0.463 -1.838 1.00 0.00 O ATOM 902 CB GLN A 57 9.092 2.422 -4.316 1.00 0.00 C ATOM 903 CG GLN A 57 10.596 2.496 -4.097 1.00 0.00 C ATOM 904 CD GLN A 57 11.172 3.863 -4.421 1.00 0.00 C ATOM 905 OE1 GLN A 57 12.289 3.972 -4.926 1.00 0.00 O ATOM 906 NE2 GLN A 57 10.413 4.916 -4.130 1.00 0.00 N ATOM 0 H GLN A 57 9.809 2.911 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 57 7.292 2.871 -3.236 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.860 1.511 -4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.785 3.260 -4.941 1.00 0.00 H new ATOM 0 HG2 GLN A 57 10.820 2.249 -3.059 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.086 1.744 -4.716 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.492 4.781 -3.712 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.752 5.858 -4.325 1.00 0.00 H new ATOM 915 N ILE A 58 6.921 0.436 -2.832 1.00 0.00 N ATOM 916 CA ILE A 58 6.599 -0.924 -2.407 1.00 0.00 C ATOM 917 C ILE A 58 6.094 -1.759 -3.576 1.00 0.00 C ATOM 918 O ILE A 58 5.211 -1.332 -4.318 1.00 0.00 O ATOM 919 CB ILE A 58 5.522 -0.950 -1.299 1.00 0.00 C ATOM 920 CG1 ILE A 58 4.638 0.298 -1.354 1.00 0.00 C ATOM 921 CG2 ILE A 58 6.171 -1.084 0.065 1.00 0.00 C ATOM 922 CD1 ILE A 58 3.205 0.033 -0.945 1.00 0.00 C ATOM 0 H ILE A 58 6.194 0.885 -3.388 1.00 0.00 H new ATOM 0 HA ILE A 58 7.526 -1.343 -2.015 1.00 0.00 H new ATOM 0 HB ILE A 58 4.884 -1.817 -1.470 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.060 1.063 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.651 0.700 -2.367 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.400 -1.101 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.745 -2.010 0.106 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.836 -0.238 0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.632 0.958 -1.006 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.767 -0.709 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.182 -0.341 0.079 1.00 0.00 H new ATOM 934 N TYR A 59 6.641 -2.959 -3.718 1.00 0.00 N ATOM 935 CA TYR A 59 6.220 -3.857 -4.781 1.00 0.00 C ATOM 936 C TYR A 59 5.121 -4.773 -4.265 1.00 0.00 C ATOM 937 O TYR A 59 5.375 -5.920 -3.895 1.00 0.00 O ATOM 938 CB TYR A 59 7.404 -4.684 -5.286 1.00 0.00 C ATOM 939 CG TYR A 59 8.409 -3.883 -6.083 1.00 0.00 C ATOM 940 CD1 TYR A 59 8.092 -3.396 -7.344 1.00 0.00 C ATOM 941 CD2 TYR A 59 9.672 -3.615 -5.573 1.00 0.00 C ATOM 942 CE1 TYR A 59 9.008 -2.663 -8.076 1.00 0.00 C ATOM 943 CE2 TYR A 59 10.593 -2.883 -6.298 1.00 0.00 C ATOM 944 CZ TYR A 59 10.257 -2.409 -7.548 1.00 0.00 C ATOM 945 OH TYR A 59 11.171 -1.681 -8.274 1.00 0.00 O ATOM 0 H TYR A 59 7.373 -3.330 -3.113 1.00 0.00 H new ATOM 0 HA TYR A 59 5.837 -3.267 -5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.909 -5.138 -4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.029 -5.499 -5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.115 -3.593 -7.760 1.00 0.00 H new ATOM 0 HD2 TYR A 59 9.939 -3.984 -4.594 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.747 -2.291 -9.056 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.572 -2.683 -5.887 1.00 0.00 H new ATOM 0 HH TYR A 59 12.000 -1.591 -7.760 1.00 0.00 H new ATOM 955 N THR A 60 3.898 -4.254 -4.228 1.00 0.00 N ATOM 956 CA THR A 60 2.762 -5.021 -3.738 1.00 0.00 C ATOM 957 C THR A 60 1.783 -5.345 -4.860 1.00 0.00 C ATOM 958 O THR A 60 1.904 -4.833 -5.973 1.00 0.00 O ATOM 959 CB THR A 60 2.041 -4.257 -2.627 1.00 0.00 C ATOM 960 OG1 THR A 60 1.093 -5.093 -1.987 1.00 0.00 O ATOM 961 CG2 THR A 60 1.307 -3.029 -3.119 1.00 0.00 C ATOM 0 H THR A 60 3.670 -3.307 -4.531 1.00 0.00 H new ATOM 0 HA THR A 60 3.147 -5.960 -3.339 1.00 0.00 H new ATOM 0 HB THR A 60 2.824 -3.938 -1.939 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.519 -5.940 -1.739 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.819 -2.536 -2.278 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.016 -2.342 -3.581 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.557 -3.323 -3.853 1.00 0.00 H new ATOM 969 N TRP A 61 0.813 -6.200 -4.556 1.00 0.00 N ATOM 970 CA TRP A 61 -0.186 -6.590 -5.545 1.00 0.00 C ATOM 971 C TRP A 61 -1.591 -6.152 -5.156 1.00 0.00 C ATOM 972 O TRP A 61 -2.079 -6.443 -4.067 1.00 0.00 O ATOM 973 CB TRP A 61 -0.160 -8.096 -5.790 1.00 0.00 C ATOM 974 CG TRP A 61 -0.187 -8.919 -4.543 1.00 0.00 C ATOM 975 CD1 TRP A 61 -1.243 -9.633 -4.054 1.00 0.00 C ATOM 976 CD2 TRP A 61 0.895 -9.125 -3.632 1.00 0.00 C ATOM 977 NE1 TRP A 61 -0.881 -10.277 -2.898 1.00 0.00 N ATOM 978 CE2 TRP A 61 0.427 -9.978 -2.616 1.00 0.00 C ATOM 979 CE3 TRP A 61 2.216 -8.672 -3.578 1.00 0.00 C ATOM 980 CZ2 TRP A 61 1.234 -10.388 -1.560 1.00 0.00 C ATOM 981 CZ3 TRP A 61 3.017 -9.077 -2.527 1.00 0.00 C ATOM 982 CH2 TRP A 61 2.523 -9.929 -1.530 1.00 0.00 C ATOM 0 H TRP A 61 0.697 -6.634 -3.640 1.00 0.00 H new ATOM 0 HA TRP A 61 0.078 -6.074 -6.468 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.015 -8.367 -6.410 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.737 -8.345 -6.357 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.220 -9.683 -4.511 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.486 -10.880 -2.340 1.00 0.00 H new ATOM 0 HE3 TRP A 61 2.604 -8.017 -4.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.857 -11.045 -0.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 4.039 -8.732 -2.473 1.00 0.00 H new ATOM 0 HH2 TRP A 61 3.173 -10.230 -0.721 1.00 0.00 H new ATOM 993 N MET A 62 -2.222 -5.437 -6.078 1.00 0.00 N ATOM 994 CA MET A 62 -3.585 -4.914 -5.903 1.00 0.00 C ATOM 995 C MET A 62 -4.461 -5.832 -5.038 1.00 0.00 C ATOM 996 O MET A 62 -5.307 -5.356 -4.281 1.00 0.00 O ATOM 997 CB MET A 62 -4.257 -4.715 -7.268 1.00 0.00 C ATOM 998 CG MET A 62 -3.429 -3.895 -8.245 1.00 0.00 C ATOM 999 SD MET A 62 -2.951 -2.291 -7.575 1.00 0.00 S ATOM 1000 CE MET A 62 -4.489 -1.767 -6.825 1.00 0.00 C ATOM 0 H MET A 62 -1.806 -5.198 -6.978 1.00 0.00 H new ATOM 0 HA MET A 62 -3.491 -3.959 -5.387 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.460 -5.691 -7.708 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.219 -4.225 -7.121 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.533 -4.454 -8.514 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.999 -3.746 -9.162 1.00 0.00 H new ATOM 0 HE1 MET A 62 -4.455 -0.694 -6.637 1.00 0.00 H new ATOM 0 HE2 MET A 62 -5.317 -1.992 -7.497 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.633 -2.296 -5.883 1.00 0.00 H new ATOM 1010 N ASP A 63 -4.260 -7.142 -5.160 1.00 0.00 N ATOM 1011 CA ASP A 63 -5.039 -8.115 -4.392 1.00 0.00 C ATOM 1012 C ASP A 63 -4.278 -8.611 -3.160 1.00 0.00 C ATOM 1013 O ASP A 63 -4.463 -9.747 -2.725 1.00 0.00 O ATOM 1014 CB ASP A 63 -5.418 -9.303 -5.279 1.00 0.00 C ATOM 1015 CG ASP A 63 -6.724 -9.946 -4.858 1.00 0.00 C ATOM 1016 OD1 ASP A 63 -6.840 -10.337 -3.678 1.00 0.00 O ATOM 1017 OD2 ASP A 63 -7.632 -10.057 -5.709 1.00 0.00 O ATOM 0 H ASP A 63 -3.566 -7.556 -5.782 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.942 -7.612 -4.046 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.498 -8.969 -6.314 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.622 -10.047 -5.244 1.00 0.00 H new ATOM 1022 N ALA A 64 -3.421 -7.759 -2.607 1.00 0.00 N ATOM 1023 CA ALA A 64 -2.631 -8.120 -1.431 1.00 0.00 C ATOM 1024 C ALA A 64 -3.324 -7.704 -0.142 1.00 0.00 C ATOM 1025 O ALA A 64 -3.889 -6.612 -0.055 1.00 0.00 O ATOM 1026 CB ALA A 64 -1.253 -7.476 -1.502 1.00 0.00 C ATOM 0 H ALA A 64 -3.254 -6.814 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.526 -9.205 -1.427 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.676 -7.753 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.736 -7.821 -2.397 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.360 -6.392 -1.540 1.00 0.00 H new ATOM 1032 N THR A 65 -3.259 -8.566 0.869 1.00 0.00 N ATOM 1033 CA THR A 65 -3.865 -8.259 2.159 1.00 0.00 C ATOM 1034 C THR A 65 -3.009 -7.236 2.900 1.00 0.00 C ATOM 1035 O THR A 65 -1.785 -7.239 2.752 1.00 0.00 O ATOM 1036 CB THR A 65 -4.029 -9.528 3.002 1.00 0.00 C ATOM 1037 OG1 THR A 65 -3.312 -10.610 2.435 1.00 0.00 O ATOM 1038 CG2 THR A 65 -5.473 -9.960 3.149 1.00 0.00 C ATOM 0 H THR A 65 -2.797 -9.474 0.820 1.00 0.00 H new ATOM 0 HA THR A 65 -4.856 -7.839 1.987 1.00 0.00 H new ATOM 0 HB THR A 65 -3.636 -9.273 3.986 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.445 -10.699 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.522 -10.864 3.756 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.043 -9.166 3.632 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.895 -10.161 2.164 1.00 0.00 H new ATOM 1046 N LEU A 66 -3.648 -6.367 3.690 1.00 0.00 N ATOM 1047 CA LEU A 66 -2.934 -5.343 4.433 1.00 0.00 C ATOM 1048 C LEU A 66 -1.680 -5.906 5.092 1.00 0.00 C ATOM 1049 O LEU A 66 -0.686 -5.201 5.255 1.00 0.00 O ATOM 1050 CB LEU A 66 -3.855 -4.721 5.479 1.00 0.00 C ATOM 1051 CG LEU A 66 -4.596 -3.466 5.017 1.00 0.00 C ATOM 1052 CD1 LEU A 66 -5.461 -2.909 6.139 1.00 0.00 C ATOM 1053 CD2 LEU A 66 -3.607 -2.418 4.529 1.00 0.00 C ATOM 0 H LEU A 66 -4.659 -6.359 3.826 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.619 -4.571 3.731 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.589 -5.467 5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.264 -4.473 6.361 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.250 -3.736 4.188 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.980 -2.016 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.192 -3.659 6.441 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.831 -2.653 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.149 -1.530 4.203 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.929 -2.152 5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.034 -2.820 3.694 1.00 0.00 H new ATOM 1065 N LYS A 67 -1.729 -7.180 5.465 1.00 0.00 N ATOM 1066 CA LYS A 67 -0.589 -7.828 6.101 1.00 0.00 C ATOM 1067 C LYS A 67 0.622 -7.806 5.176 1.00 0.00 C ATOM 1068 O LYS A 67 1.708 -7.371 5.561 1.00 0.00 O ATOM 1069 CB LYS A 67 -0.937 -9.268 6.482 1.00 0.00 C ATOM 1070 CG LYS A 67 0.073 -9.908 7.420 1.00 0.00 C ATOM 1071 CD LYS A 67 0.555 -11.251 6.894 1.00 0.00 C ATOM 1072 CE LYS A 67 -0.361 -12.382 7.329 1.00 0.00 C ATOM 1073 NZ LYS A 67 -0.111 -12.788 8.739 1.00 0.00 N ATOM 0 H LYS A 67 -2.543 -7.782 5.338 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.343 -7.277 7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.920 -9.283 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.010 -9.868 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 67 0.925 -9.240 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.378 -10.043 8.403 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.604 -11.220 5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.566 -11.442 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -1.400 -12.070 7.220 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.215 -13.240 6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.756 -13.562 8.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.873 -13.110 8.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.275 -11.976 9.368 1.00 0.00 H new ATOM 1087 N GLU A 68 0.427 -8.273 3.949 1.00 0.00 N ATOM 1088 CA GLU A 68 1.501 -8.300 2.965 1.00 0.00 C ATOM 1089 C GLU A 68 2.118 -6.915 2.807 1.00 0.00 C ATOM 1090 O GLU A 68 3.311 -6.783 2.529 1.00 0.00 O ATOM 1091 CB GLU A 68 0.976 -8.808 1.625 1.00 0.00 C ATOM 1092 CG GLU A 68 0.773 -10.313 1.598 1.00 0.00 C ATOM 1093 CD GLU A 68 -0.614 -10.709 1.131 1.00 0.00 C ATOM 1094 OE1 GLU A 68 -1.129 -10.069 0.191 1.00 0.00 O ATOM 1095 OE2 GLU A 68 -1.185 -11.658 1.707 1.00 0.00 O ATOM 0 H GLU A 68 -0.464 -8.638 3.612 1.00 0.00 H new ATOM 0 HA GLU A 68 2.276 -8.981 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.030 -8.315 1.402 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.675 -8.527 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.516 -10.764 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.945 -10.716 2.596 1.00 0.00 H new ATOM 1102 N LEU A 69 1.302 -5.885 3.002 1.00 0.00 N ATOM 1103 CA LEU A 69 1.779 -4.508 2.899 1.00 0.00 C ATOM 1104 C LEU A 69 2.614 -4.148 4.123 1.00 0.00 C ATOM 1105 O LEU A 69 3.538 -3.337 4.043 1.00 0.00 O ATOM 1106 CB LEU A 69 0.604 -3.537 2.751 1.00 0.00 C ATOM 1107 CG LEU A 69 -0.214 -3.712 1.471 1.00 0.00 C ATOM 1108 CD1 LEU A 69 0.688 -3.668 0.250 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -0.986 -5.017 1.520 1.00 0.00 C ATOM 0 H LEU A 69 0.312 -5.975 3.231 1.00 0.00 H new ATOM 0 HA LEU A 69 2.404 -4.425 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.058 -3.657 3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.987 -2.517 2.784 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.925 -2.890 1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.087 -3.794 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.202 -2.708 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.423 -4.471 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.565 -5.132 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.288 -5.849 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.660 -5.009 2.377 1.00 0.00 H new ATOM 1121 N THR A 70 2.294 -4.776 5.251 1.00 0.00 N ATOM 1122 CA THR A 70 3.020 -4.548 6.494 1.00 0.00 C ATOM 1123 C THR A 70 4.477 -4.984 6.340 1.00 0.00 C ATOM 1124 O THR A 70 5.386 -4.391 6.925 1.00 0.00 O ATOM 1125 CB THR A 70 2.356 -5.318 7.635 1.00 0.00 C ATOM 1126 OG1 THR A 70 1.016 -4.894 7.812 1.00 0.00 O ATOM 1127 CG2 THR A 70 3.066 -5.158 8.961 1.00 0.00 C ATOM 0 H THR A 70 1.532 -5.450 5.328 1.00 0.00 H new ATOM 0 HA THR A 70 2.997 -3.483 6.727 1.00 0.00 H new ATOM 0 HB THR A 70 2.405 -6.366 7.341 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.998 -3.929 7.979 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.542 -5.731 9.726 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.089 -5.523 8.872 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.080 -4.105 9.242 1.00 0.00 H new ATOM 1135 N SER A 71 4.695 -6.024 5.535 1.00 0.00 N ATOM 1136 CA SER A 71 6.040 -6.534 5.297 1.00 0.00 C ATOM 1137 C SER A 71 6.742 -5.699 4.233 1.00 0.00 C ATOM 1138 O SER A 71 7.913 -5.348 4.374 1.00 0.00 O ATOM 1139 CB SER A 71 5.989 -7.999 4.864 1.00 0.00 C ATOM 1140 OG SER A 71 6.122 -8.866 5.978 1.00 0.00 O ATOM 0 H SER A 71 3.959 -6.526 5.039 1.00 0.00 H new ATOM 0 HA SER A 71 6.603 -6.465 6.228 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.046 -8.198 4.355 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.786 -8.198 4.148 1.00 0.00 H new ATOM 0 HG SER A 71 6.084 -9.797 5.674 1.00 0.00 H new ATOM 1146 N LEU A 72 6.011 -5.369 3.173 1.00 0.00 N ATOM 1147 CA LEU A 72 6.555 -4.556 2.094 1.00 0.00 C ATOM 1148 C LEU A 72 7.150 -3.271 2.661 1.00 0.00 C ATOM 1149 O LEU A 72 8.266 -2.875 2.308 1.00 0.00 O ATOM 1150 CB LEU A 72 5.462 -4.245 1.071 1.00 0.00 C ATOM 1151 CG LEU A 72 5.217 -5.352 0.043 1.00 0.00 C ATOM 1152 CD1 LEU A 72 3.731 -5.503 -0.240 1.00 0.00 C ATOM 1153 CD2 LEU A 72 5.980 -5.061 -1.241 1.00 0.00 C ATOM 0 H LEU A 72 5.040 -5.653 3.039 1.00 0.00 H new ATOM 0 HA LEU A 72 7.348 -5.109 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.531 -4.048 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.727 -3.329 0.543 1.00 0.00 H new ATOM 0 HG LEU A 72 5.582 -6.292 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.579 -6.295 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.209 -5.757 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.338 -4.565 -0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.796 -5.857 -1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.645 -4.111 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.047 -5.006 -1.026 1.00 0.00 H new ATOM 1165 N VAL A 73 6.415 -2.639 3.570 1.00 0.00 N ATOM 1166 CA VAL A 73 6.887 -1.422 4.209 1.00 0.00 C ATOM 1167 C VAL A 73 8.153 -1.714 5.002 1.00 0.00 C ATOM 1168 O VAL A 73 9.104 -0.938 4.973 1.00 0.00 O ATOM 1169 CB VAL A 73 5.825 -0.817 5.149 1.00 0.00 C ATOM 1170 CG1 VAL A 73 6.341 0.463 5.790 1.00 0.00 C ATOM 1171 CG2 VAL A 73 4.533 -0.556 4.393 1.00 0.00 C ATOM 0 H VAL A 73 5.494 -2.950 3.878 1.00 0.00 H new ATOM 0 HA VAL A 73 7.094 -0.697 3.422 1.00 0.00 H new ATOM 0 HB VAL A 73 5.619 -1.535 5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.576 0.874 6.449 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.239 0.244 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.578 1.189 5.013 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.794 -0.129 5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.723 0.142 3.578 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.153 -1.494 3.987 1.00 0.00 H new ATOM 1181 N LYS A 74 8.160 -2.848 5.702 1.00 0.00 N ATOM 1182 CA LYS A 74 9.321 -3.248 6.495 1.00 0.00 C ATOM 1183 C LYS A 74 10.584 -3.247 5.645 1.00 0.00 C ATOM 1184 O LYS A 74 11.610 -2.694 6.038 1.00 0.00 O ATOM 1185 CB LYS A 74 9.100 -4.638 7.097 1.00 0.00 C ATOM 1186 CG LYS A 74 8.476 -4.612 8.482 1.00 0.00 C ATOM 1187 CD LYS A 74 7.515 -3.446 8.638 1.00 0.00 C ATOM 1188 CE LYS A 74 6.384 -3.782 9.591 1.00 0.00 C ATOM 1189 NZ LYS A 74 6.888 -4.315 10.884 1.00 0.00 N ATOM 0 H LYS A 74 7.379 -3.503 5.736 1.00 0.00 H new ATOM 0 HA LYS A 74 9.445 -2.526 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.459 -5.215 6.430 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.057 -5.158 7.149 1.00 0.00 H new ATOM 0 HG2 LYS A 74 7.946 -5.548 8.661 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.261 -4.541 9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 74 8.056 -2.574 9.006 1.00 0.00 H new ATOM 0 HD3 LYS A 74 7.105 -3.179 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.787 -2.889 9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.725 -4.516 9.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.333 -3.912 11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.796 -5.351 10.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.888 -4.055 11.000 1.00 0.00 H new ATOM 1203 N GLU A 75 10.499 -3.866 4.473 1.00 0.00 N ATOM 1204 CA GLU A 75 11.633 -3.931 3.564 1.00 0.00 C ATOM 1205 C GLU A 75 12.086 -2.529 3.171 1.00 0.00 C ATOM 1206 O GLU A 75 13.257 -2.311 2.859 1.00 0.00 O ATOM 1207 CB GLU A 75 11.272 -4.734 2.314 1.00 0.00 C ATOM 1208 CG GLU A 75 12.410 -5.600 1.798 1.00 0.00 C ATOM 1209 CD GLU A 75 13.252 -4.893 0.753 1.00 0.00 C ATOM 1210 OE1 GLU A 75 12.811 -4.819 -0.413 1.00 0.00 O ATOM 1211 OE2 GLU A 75 14.352 -4.415 1.101 1.00 0.00 O ATOM 0 H GLU A 75 9.657 -4.329 4.132 1.00 0.00 H new ATOM 0 HA GLU A 75 12.453 -4.432 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.414 -5.369 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.964 -4.046 1.527 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.045 -5.894 2.633 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.000 -6.515 1.371 1.00 0.00 H new ATOM 1218 N VAL A 76 11.153 -1.579 3.188 1.00 0.00 N ATOM 1219 CA VAL A 76 11.475 -0.198 2.829 1.00 0.00 C ATOM 1220 C VAL A 76 11.614 0.689 4.066 1.00 0.00 C ATOM 1221 O VAL A 76 11.802 1.899 3.949 1.00 0.00 O ATOM 1222 CB VAL A 76 10.410 0.425 1.899 1.00 0.00 C ATOM 1223 CG1 VAL A 76 11.063 1.376 0.907 1.00 0.00 C ATOM 1224 CG2 VAL A 76 9.614 -0.648 1.169 1.00 0.00 C ATOM 0 H VAL A 76 10.178 -1.736 3.443 1.00 0.00 H new ATOM 0 HA VAL A 76 12.428 -0.244 2.302 1.00 0.00 H new ATOM 0 HB VAL A 76 9.713 0.990 2.518 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.299 1.807 0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.571 2.174 1.448 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.787 0.830 0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 76 8.874 -0.176 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 76 10.289 -1.254 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.109 -1.284 1.896 1.00 0.00 H new ATOM 1234 N TYR A 77 11.513 0.089 5.249 1.00 0.00 N ATOM 1235 CA TYR A 77 11.619 0.841 6.493 1.00 0.00 C ATOM 1236 C TYR A 77 12.206 -0.020 7.607 1.00 0.00 C ATOM 1237 O TYR A 77 11.574 -0.970 8.067 1.00 0.00 O ATOM 1238 CB TYR A 77 10.242 1.365 6.903 1.00 0.00 C ATOM 1239 CG TYR A 77 10.279 2.721 7.571 1.00 0.00 C ATOM 1240 CD1 TYR A 77 11.288 3.050 8.467 1.00 0.00 C ATOM 1241 CD2 TYR A 77 9.304 3.672 7.303 1.00 0.00 C ATOM 1242 CE1 TYR A 77 11.325 4.290 9.077 1.00 0.00 C ATOM 1243 CE2 TYR A 77 9.333 4.914 7.909 1.00 0.00 C ATOM 1244 CZ TYR A 77 10.345 5.217 8.795 1.00 0.00 C ATOM 1245 OH TYR A 77 10.378 6.453 9.400 1.00 0.00 O ATOM 0 H TYR A 77 11.359 -0.912 5.371 1.00 0.00 H new ATOM 0 HA TYR A 77 12.291 1.683 6.328 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.608 1.423 6.019 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.778 0.649 7.581 1.00 0.00 H new ATOM 0 HD1 TYR A 77 12.057 2.325 8.691 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.510 3.438 6.610 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.117 4.531 9.770 1.00 0.00 H new ATOM 0 HE2 TYR A 77 8.567 5.643 7.690 1.00 0.00 H new ATOM 0 HH TYR A 77 10.310 6.344 10.371 1.00 0.00 H new ATOM 1255 N PRO A 78 13.430 0.304 8.060 1.00 0.00 N ATOM 1256 CA PRO A 78 14.097 -0.445 9.128 1.00 0.00 C ATOM 1257 C PRO A 78 13.416 -0.260 10.480 1.00 0.00 C ATOM 1258 O PRO A 78 13.226 -1.221 11.226 1.00 0.00 O ATOM 1259 CB PRO A 78 15.505 0.152 9.155 1.00 0.00 C ATOM 1260 CG PRO A 78 15.356 1.518 8.585 1.00 0.00 C ATOM 1261 CD PRO A 78 14.256 1.423 7.567 1.00 0.00 C ATOM 0 HA PRO A 78 14.077 -1.519 8.944 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.898 0.189 10.171 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.199 -0.448 8.566 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.107 2.240 9.362 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.286 1.853 8.125 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.684 2.349 7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.648 1.224 6.569 1.00 0.00 H new ATOM 1269 N GLU A 79 13.056 0.980 10.792 1.00 0.00 N ATOM 1270 CA GLU A 79 12.400 1.293 12.057 1.00 0.00 C ATOM 1271 C GLU A 79 11.053 0.586 12.171 1.00 0.00 C ATOM 1272 O GLU A 79 10.602 0.264 13.271 1.00 0.00 O ATOM 1273 CB GLU A 79 12.208 2.805 12.195 1.00 0.00 C ATOM 1274 CG GLU A 79 13.483 3.602 11.978 1.00 0.00 C ATOM 1275 CD GLU A 79 14.202 3.917 13.274 1.00 0.00 C ATOM 1276 OE1 GLU A 79 15.028 3.088 13.710 1.00 0.00 O ATOM 1277 OE2 GLU A 79 13.940 4.993 13.853 1.00 0.00 O ATOM 0 H GLU A 79 13.207 1.786 10.186 1.00 0.00 H new ATOM 0 HA GLU A 79 13.042 0.937 12.863 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.457 3.134 11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.817 3.024 13.189 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.150 3.041 11.324 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.242 4.533 11.465 1.00 0.00 H new ATOM 1284 N ALA A 80 10.414 0.347 11.031 1.00 0.00 N ATOM 1285 CA ALA A 80 9.116 -0.320 11.011 1.00 0.00 C ATOM 1286 C ALA A 80 9.231 -1.762 11.496 1.00 0.00 C ATOM 1287 O ALA A 80 8.349 -2.264 12.192 1.00 0.00 O ATOM 1288 CB ALA A 80 8.522 -0.278 9.612 1.00 0.00 C ATOM 0 H ALA A 80 10.772 0.604 10.111 1.00 0.00 H new ATOM 0 HA ALA A 80 8.452 0.213 11.692 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.554 -0.779 9.612 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.393 0.759 9.302 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.192 -0.784 8.917 1.00 0.00 H new ATOM 1294 N ARG A 81 10.326 -2.422 11.127 1.00 0.00 N ATOM 1295 CA ARG A 81 10.561 -3.808 11.523 1.00 0.00 C ATOM 1296 C ARG A 81 10.440 -3.984 13.037 1.00 0.00 C ATOM 1297 O ARG A 81 10.205 -5.090 13.523 1.00 0.00 O ATOM 1298 CB ARG A 81 11.946 -4.263 11.053 1.00 0.00 C ATOM 1299 CG ARG A 81 11.908 -5.446 10.100 1.00 0.00 C ATOM 1300 CD ARG A 81 13.013 -5.358 9.059 1.00 0.00 C ATOM 1301 NE ARG A 81 14.323 -5.672 9.623 1.00 0.00 N ATOM 1302 CZ ARG A 81 14.775 -6.912 9.804 1.00 0.00 C ATOM 1303 NH1 ARG A 81 14.028 -7.955 9.468 1.00 0.00 N ATOM 1304 NH2 ARG A 81 15.979 -7.108 10.323 1.00 0.00 N ATOM 0 H ARG A 81 11.066 -2.018 10.553 1.00 0.00 H new ATOM 0 HA ARG A 81 9.798 -4.425 11.049 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.446 -3.428 10.562 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.547 -4.528 11.923 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.011 -6.373 10.664 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.939 -5.482 9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 81 12.796 -6.045 8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.032 -4.354 8.635 1.00 0.00 H new ATOM 0 HE ARG A 81 14.927 -4.896 9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.101 -7.811 9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.381 -8.902 9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.558 -6.310 10.583 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.326 -8.057 10.462 1.00 0.00 H new ATOM 1318 N LYS A 82 10.602 -2.892 13.777 1.00 0.00 N ATOM 1319 CA LYS A 82 10.509 -2.936 15.232 1.00 0.00 C ATOM 1320 C LYS A 82 9.141 -3.447 15.673 1.00 0.00 C ATOM 1321 O LYS A 82 8.112 -3.032 15.142 1.00 0.00 O ATOM 1322 CB LYS A 82 10.765 -1.549 15.824 1.00 0.00 C ATOM 1323 CG LYS A 82 11.449 -1.585 17.181 1.00 0.00 C ATOM 1324 CD LYS A 82 12.677 -0.689 17.215 1.00 0.00 C ATOM 1325 CE LYS A 82 13.803 -1.317 18.021 1.00 0.00 C ATOM 1326 NZ LYS A 82 14.569 -0.301 18.796 1.00 0.00 N ATOM 0 H LYS A 82 10.798 -1.967 13.394 1.00 0.00 H new ATOM 0 HA LYS A 82 11.270 -3.624 15.599 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.380 -0.975 15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.815 -1.022 15.919 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.746 -1.268 17.952 1.00 0.00 H new ATOM 0 HG3 LYS A 82 11.739 -2.609 17.415 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.019 -0.499 16.197 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.413 0.276 17.648 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.390 -2.058 18.705 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.479 -1.845 17.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.327 -0.771 19.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.986 0.392 18.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.930 0.186 19.456 1.00 0.00 H new ATOM 1340 N LYS A 83 9.140 -4.349 16.647 1.00 0.00 N ATOM 1341 CA LYS A 83 7.897 -4.916 17.158 1.00 0.00 C ATOM 1342 C LYS A 83 7.071 -3.857 17.880 1.00 0.00 C ATOM 1343 O LYS A 83 7.612 -3.009 18.591 1.00 0.00 O ATOM 1344 CB LYS A 83 8.191 -6.086 18.102 1.00 0.00 C ATOM 1345 CG LYS A 83 8.915 -5.681 19.377 1.00 0.00 C ATOM 1346 CD LYS A 83 10.423 -5.714 19.194 1.00 0.00 C ATOM 1347 CE LYS A 83 11.130 -6.163 20.462 1.00 0.00 C ATOM 1348 NZ LYS A 83 11.338 -5.035 21.411 1.00 0.00 N ATOM 0 H LYS A 83 9.983 -4.703 17.098 1.00 0.00 H new ATOM 0 HA LYS A 83 7.320 -5.283 16.309 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.252 -6.571 18.367 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.793 -6.825 17.573 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.605 -4.678 19.670 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.631 -6.352 20.187 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.676 -6.389 18.377 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.778 -4.723 18.910 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.543 -6.943 20.948 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.093 -6.603 20.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.823 -5.383 22.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.919 -4.302 20.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.417 -4.631 21.677 1.00 0.00 H new ATOM 1362 N GLY A 84 5.758 -3.913 17.693 1.00 0.00 N ATOM 1363 CA GLY A 84 4.873 -2.957 18.333 1.00 0.00 C ATOM 1364 C GLY A 84 4.670 -1.694 17.513 1.00 0.00 C ATOM 1365 O GLY A 84 4.072 -0.731 17.990 1.00 0.00 O ATOM 0 H GLY A 84 5.289 -4.605 17.108 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.906 -3.428 18.510 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.281 -2.689 19.308 1.00 0.00 H new ATOM 1369 N THR A 85 5.168 -1.693 16.278 1.00 0.00 N ATOM 1370 CA THR A 85 5.031 -0.532 15.406 1.00 0.00 C ATOM 1371 C THR A 85 3.690 -0.544 14.676 1.00 0.00 C ATOM 1372 O THR A 85 3.330 -1.525 14.025 1.00 0.00 O ATOM 1373 CB THR A 85 6.173 -0.487 14.391 1.00 0.00 C ATOM 1374 OG1 THR A 85 7.423 -0.656 15.036 1.00 0.00 O ATOM 1375 CG2 THR A 85 6.230 0.808 13.611 1.00 0.00 C ATOM 0 H THR A 85 5.667 -2.479 15.862 1.00 0.00 H new ATOM 0 HA THR A 85 5.074 0.359 16.032 1.00 0.00 H new ATOM 0 HB THR A 85 5.974 -1.302 13.695 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.813 -1.516 14.774 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.063 0.773 12.909 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.298 0.944 13.062 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.370 1.641 14.299 1.00 0.00 H new ATOM 1383 N HIS A 86 2.959 0.559 14.793 1.00 0.00 N ATOM 1384 CA HIS A 86 1.655 0.697 14.151 1.00 0.00 C ATOM 1385 C HIS A 86 1.776 1.504 12.862 1.00 0.00 C ATOM 1386 O HIS A 86 2.605 2.403 12.767 1.00 0.00 O ATOM 1387 CB HIS A 86 0.684 1.393 15.107 1.00 0.00 C ATOM 1388 CG HIS A 86 -0.757 1.156 14.789 1.00 0.00 C ATOM 1389 ND1 HIS A 86 -1.511 2.015 14.018 1.00 0.00 N ATOM 1390 CD2 HIS A 86 -1.589 0.152 15.152 1.00 0.00 C ATOM 1391 CE1 HIS A 86 -2.745 1.552 13.923 1.00 0.00 C ATOM 1392 NE2 HIS A 86 -2.817 0.422 14.601 1.00 0.00 N ATOM 0 H HIS A 86 3.249 1.376 15.330 1.00 0.00 H new ATOM 0 HA HIS A 86 1.278 -0.296 13.906 1.00 0.00 H new ATOM 0 HB2 HIS A 86 0.882 1.051 16.123 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.878 2.465 15.088 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -1.169 2.874 13.588 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -1.334 -0.702 15.762 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.556 2.018 13.383 1.00 0.00 H new ATOM 1400 N PHE A 87 0.947 1.187 11.871 1.00 0.00 N ATOM 1401 CA PHE A 87 0.979 1.908 10.598 1.00 0.00 C ATOM 1402 C PHE A 87 -0.426 2.081 10.031 1.00 0.00 C ATOM 1403 O PHE A 87 -1.112 1.103 9.735 1.00 0.00 O ATOM 1404 CB PHE A 87 1.873 1.200 9.572 1.00 0.00 C ATOM 1405 CG PHE A 87 2.525 -0.055 10.077 1.00 0.00 C ATOM 1406 CD1 PHE A 87 1.811 -1.237 10.146 1.00 0.00 C ATOM 1407 CD2 PHE A 87 3.853 -0.053 10.471 1.00 0.00 C ATOM 1408 CE1 PHE A 87 2.406 -2.397 10.598 1.00 0.00 C ATOM 1409 CE2 PHE A 87 4.456 -1.210 10.924 1.00 0.00 C ATOM 1410 CZ PHE A 87 3.730 -2.384 10.986 1.00 0.00 C ATOM 0 H PHE A 87 0.251 0.443 11.921 1.00 0.00 H new ATOM 0 HA PHE A 87 1.401 2.893 10.798 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.275 0.956 8.694 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.649 1.892 9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 87 0.775 -1.253 9.842 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.423 0.863 10.423 1.00 0.00 H new ATOM 0 HE1 PHE A 87 1.836 -3.313 10.648 1.00 0.00 H new ATOM 0 HE2 PHE A 87 5.492 -1.197 11.229 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.199 -3.291 11.338 1.00 0.00 H new ATOM 1420 N ASN A 88 -0.848 3.335 9.883 1.00 0.00 N ATOM 1421 CA ASN A 88 -2.173 3.644 9.356 1.00 0.00 C ATOM 1422 C ASN A 88 -2.129 3.904 7.854 1.00 0.00 C ATOM 1423 O ASN A 88 -1.488 4.848 7.396 1.00 0.00 O ATOM 1424 CB ASN A 88 -2.758 4.860 10.074 1.00 0.00 C ATOM 1425 CG ASN A 88 -2.944 4.622 11.560 1.00 0.00 C ATOM 1426 OD1 ASN A 88 -2.007 4.242 12.262 1.00 0.00 O ATOM 1427 ND2 ASN A 88 -4.160 4.845 12.047 1.00 0.00 N ATOM 0 H ASN A 88 -0.289 4.154 10.122 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.810 2.777 9.533 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.100 5.717 9.926 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.719 5.115 9.627 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.346 4.702 13.040 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.907 5.159 11.428 1.00 0.00 H new ATOM 1434 N PHE A 89 -2.824 3.063 7.095 1.00 0.00 N ATOM 1435 CA PHE A 89 -2.876 3.202 5.644 1.00 0.00 C ATOM 1436 C PHE A 89 -3.965 4.184 5.230 1.00 0.00 C ATOM 1437 O PHE A 89 -5.125 4.041 5.623 1.00 0.00 O ATOM 1438 CB PHE A 89 -3.132 1.845 4.983 1.00 0.00 C ATOM 1439 CG PHE A 89 -2.149 0.784 5.379 1.00 0.00 C ATOM 1440 CD1 PHE A 89 -0.889 0.735 4.806 1.00 0.00 C ATOM 1441 CD2 PHE A 89 -2.485 -0.164 6.329 1.00 0.00 C ATOM 1442 CE1 PHE A 89 0.016 -0.241 5.173 1.00 0.00 C ATOM 1443 CE2 PHE A 89 -1.588 -1.140 6.701 1.00 0.00 C ATOM 1444 CZ PHE A 89 -0.334 -1.181 6.124 1.00 0.00 C ATOM 0 H PHE A 89 -3.360 2.276 7.462 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.912 3.586 5.312 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.137 1.510 5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.104 1.968 3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -0.611 1.469 4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.464 -0.138 6.785 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.995 -0.270 4.718 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.865 -1.873 7.444 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.371 -1.945 6.415 1.00 0.00 H new ATOM 1454 N ALA A 90 -3.582 5.177 4.431 1.00 0.00 N ATOM 1455 CA ALA A 90 -4.518 6.185 3.952 1.00 0.00 C ATOM 1456 C ALA A 90 -4.156 6.640 2.542 1.00 0.00 C ATOM 1457 O ALA A 90 -3.161 6.195 1.973 1.00 0.00 O ATOM 1458 CB ALA A 90 -4.542 7.373 4.901 1.00 0.00 C ATOM 0 H ALA A 90 -2.625 5.303 4.102 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.512 5.739 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.245 8.119 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.852 7.041 5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.546 7.811 4.960 1.00 0.00 H new ATOM 1464 N ILE A 91 -4.968 7.532 1.985 1.00 0.00 N ATOM 1465 CA ILE A 91 -4.730 8.051 0.644 1.00 0.00 C ATOM 1466 C ILE A 91 -4.616 9.570 0.671 1.00 0.00 C ATOM 1467 O ILE A 91 -5.587 10.266 0.971 1.00 0.00 O ATOM 1468 CB ILE A 91 -5.855 7.645 -0.329 1.00 0.00 C ATOM 1469 CG1 ILE A 91 -6.102 6.136 -0.258 1.00 0.00 C ATOM 1470 CG2 ILE A 91 -5.508 8.066 -1.750 1.00 0.00 C ATOM 1471 CD1 ILE A 91 -7.544 5.748 -0.503 1.00 0.00 C ATOM 0 H ILE A 91 -5.797 7.911 2.442 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.793 7.619 0.293 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.771 8.158 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.470 5.637 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.798 5.772 0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.313 7.772 -2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.380 9.148 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.582 7.580 -2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.645 4.665 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.180 6.218 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.847 6.081 -1.496 1.00 0.00 H new ATOM 1483 N VAL A 92 -3.424 10.079 0.365 1.00 0.00 N ATOM 1484 CA VAL A 92 -3.183 11.520 0.364 1.00 0.00 C ATOM 1485 C VAL A 92 -2.398 11.959 -0.869 1.00 0.00 C ATOM 1486 O VAL A 92 -1.764 11.145 -1.535 1.00 0.00 O ATOM 1487 CB VAL A 92 -2.421 11.963 1.632 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -0.961 11.540 1.566 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -2.537 13.467 1.828 1.00 0.00 C ATOM 0 H VAL A 92 -2.611 9.516 0.115 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.162 11.998 0.348 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.876 11.469 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.447 11.864 2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.900 10.455 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.489 11.998 0.697 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.994 13.760 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.114 13.980 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.587 13.740 1.934 1.00 0.00 H new ATOM 1673 N VAL A 103 -7.856 13.597 2.018 1.00 0.00 N ATOM 1674 CA VAL A 103 -7.086 12.440 2.459 1.00 0.00 C ATOM 1675 C VAL A 103 -7.851 11.668 3.528 1.00 0.00 C ATOM 1676 O VAL A 103 -8.452 12.261 4.423 1.00 0.00 O ATOM 1677 CB VAL A 103 -5.700 12.857 3.004 1.00 0.00 C ATOM 1678 CG1 VAL A 103 -5.834 14.024 3.969 1.00 0.00 C ATOM 1679 CG2 VAL A 103 -4.991 11.682 3.671 1.00 0.00 C ATOM 0 HA VAL A 103 -6.932 11.798 1.592 1.00 0.00 H new ATOM 0 HB VAL A 103 -5.090 13.176 2.159 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.848 14.303 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.280 14.874 3.453 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -6.469 13.733 4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.020 12.007 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.595 11.317 4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -4.851 10.881 2.945 1.00 0.00 H new ATOM 1689 N LYS A 104 -7.838 10.342 3.423 1.00 0.00 N ATOM 1690 CA LYS A 104 -8.550 9.502 4.382 1.00 0.00 C ATOM 1691 C LYS A 104 -7.861 8.155 4.574 1.00 0.00 C ATOM 1692 O LYS A 104 -7.229 7.629 3.657 1.00 0.00 O ATOM 1693 CB LYS A 104 -9.991 9.284 3.918 1.00 0.00 C ATOM 1694 CG LYS A 104 -10.966 9.018 5.053 1.00 0.00 C ATOM 1695 CD LYS A 104 -12.381 8.817 4.536 1.00 0.00 C ATOM 1696 CE LYS A 104 -12.726 7.342 4.414 1.00 0.00 C ATOM 1697 NZ LYS A 104 -13.573 7.063 3.221 1.00 0.00 N ATOM 0 H LYS A 104 -7.347 9.829 2.690 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.547 10.020 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.322 10.163 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.017 8.443 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -10.650 8.133 5.605 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.948 9.854 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -13.088 9.302 5.209 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.486 9.298 3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -11.807 6.759 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.248 7.016 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -13.785 6.046 3.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -14.461 7.599 3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -13.065 7.349 2.360 1.00 0.00 H new ATOM 1711 N GLU A 105 -8.001 7.599 5.774 1.00 0.00 N ATOM 1712 CA GLU A 105 -7.407 6.307 6.100 1.00 0.00 C ATOM 1713 C GLU A 105 -8.439 5.194 5.938 1.00 0.00 C ATOM 1714 O GLU A 105 -9.632 5.406 6.157 1.00 0.00 O ATOM 1715 CB GLU A 105 -6.847 6.331 7.529 1.00 0.00 C ATOM 1716 CG GLU A 105 -6.467 4.964 8.078 1.00 0.00 C ATOM 1717 CD GLU A 105 -7.348 4.534 9.235 1.00 0.00 C ATOM 1718 OE1 GLU A 105 -7.234 5.135 10.323 1.00 0.00 O ATOM 1719 OE2 GLU A 105 -8.150 3.594 9.053 1.00 0.00 O ATOM 0 H GLU A 105 -8.523 8.026 6.539 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.585 6.110 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -5.968 6.975 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.588 6.781 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.535 4.225 7.280 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.428 4.984 8.406 1.00 0.00 H new ATOM 1726 N ILE A 106 -7.977 4.011 5.541 1.00 0.00 N ATOM 1727 CA ILE A 106 -8.870 2.874 5.336 1.00 0.00 C ATOM 1728 C ILE A 106 -8.578 1.737 6.313 1.00 0.00 C ATOM 1729 O ILE A 106 -9.437 0.889 6.556 1.00 0.00 O ATOM 1730 CB ILE A 106 -8.791 2.330 3.890 1.00 0.00 C ATOM 1731 CG1 ILE A 106 -7.390 2.519 3.298 1.00 0.00 C ATOM 1732 CG2 ILE A 106 -9.833 3.012 3.015 1.00 0.00 C ATOM 1733 CD1 ILE A 106 -6.393 1.479 3.760 1.00 0.00 C ATOM 0 H ILE A 106 -6.993 3.815 5.355 1.00 0.00 H new ATOM 0 HA ILE A 106 -9.877 3.249 5.518 1.00 0.00 H new ATOM 0 HB ILE A 106 -8.998 1.260 3.921 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.457 2.489 2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -7.021 3.509 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.768 2.621 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.828 2.818 3.415 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.651 4.087 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.424 1.675 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.297 1.524 4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.739 0.488 3.467 1.00 0.00 H new ATOM 1745 N GLY A 107 -7.371 1.715 6.870 1.00 0.00 N ATOM 1746 CA GLY A 107 -7.017 0.664 7.811 1.00 0.00 C ATOM 1747 C GLY A 107 -5.557 0.707 8.214 1.00 0.00 C ATOM 1748 O GLY A 107 -4.723 1.214 7.470 1.00 0.00 O ATOM 0 H GLY A 107 -6.636 2.399 6.690 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.638 0.755 8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.238 -0.306 7.366 1.00 0.00 H new ATOM 1752 N SER A 108 -5.254 0.190 9.405 1.00 0.00 N ATOM 1753 CA SER A 108 -3.887 0.186 9.913 1.00 0.00 C ATOM 1754 C SER A 108 -3.481 -1.196 10.423 1.00 0.00 C ATOM 1755 O SER A 108 -4.284 -1.908 11.025 1.00 0.00 O ATOM 1756 CB SER A 108 -3.758 1.203 11.045 1.00 0.00 C ATOM 1757 OG SER A 108 -4.582 2.333 10.812 1.00 0.00 O ATOM 0 H SER A 108 -5.938 -0.231 10.034 1.00 0.00 H new ATOM 0 HA SER A 108 -3.223 0.453 9.091 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.034 0.736 11.991 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.719 1.519 11.137 1.00 0.00 H new ATOM 0 HG SER A 108 -5.117 2.518 11.612 1.00 0.00 H new ATOM 1763 N THR A 109 -2.221 -1.557 10.193 1.00 0.00 N ATOM 1764 CA THR A 109 -1.694 -2.844 10.645 1.00 0.00 C ATOM 1765 C THR A 109 -0.623 -2.633 11.711 1.00 0.00 C ATOM 1766 O THR A 109 -0.467 -1.529 12.233 1.00 0.00 O ATOM 1767 CB THR A 109 -1.130 -3.651 9.474 1.00 0.00 C ATOM 1768 OG1 THR A 109 -0.140 -2.918 8.776 1.00 0.00 O ATOM 1769 CG2 THR A 109 -2.188 -4.062 8.476 1.00 0.00 C ATOM 0 H THR A 109 -1.545 -0.977 9.696 1.00 0.00 H new ATOM 0 HA THR A 109 -2.516 -3.412 11.080 1.00 0.00 H new ATOM 0 HB THR A 109 -0.702 -4.547 9.923 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.657 -2.826 9.339 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.726 -4.631 7.669 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.937 -4.679 8.973 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.666 -3.173 8.065 1.00 0.00 H new ATOM 1777 N MET A 110 0.104 -3.695 12.045 1.00 0.00 N ATOM 1778 CA MET A 110 1.146 -3.608 13.063 1.00 0.00 C ATOM 1779 C MET A 110 2.305 -4.549 12.762 1.00 0.00 C ATOM 1780 O MET A 110 2.211 -5.417 11.895 1.00 0.00 O ATOM 1781 CB MET A 110 0.563 -3.938 14.435 1.00 0.00 C ATOM 1782 CG MET A 110 -0.263 -2.817 15.040 1.00 0.00 C ATOM 1783 SD MET A 110 -0.048 -2.698 16.825 1.00 0.00 S ATOM 1784 CE MET A 110 1.705 -2.358 16.919 1.00 0.00 C ATOM 0 H MET A 110 -0.008 -4.620 11.629 1.00 0.00 H new ATOM 0 HA MET A 110 1.528 -2.587 13.059 1.00 0.00 H new ATOM 0 HB2 MET A 110 -0.059 -4.829 14.349 1.00 0.00 H new ATOM 0 HB3 MET A 110 1.378 -4.183 15.116 1.00 0.00 H new ATOM 0 HG2 MET A 110 0.019 -1.871 14.578 1.00 0.00 H new ATOM 0 HG3 MET A 110 -1.316 -2.981 14.813 1.00 0.00 H new ATOM 0 HE1 MET A 110 1.984 -2.168 17.956 1.00 0.00 H new ATOM 0 HE2 MET A 110 2.263 -3.216 16.545 1.00 0.00 H new ATOM 0 HE3 MET A 110 1.939 -1.482 16.314 1.00 0.00 H new ATOM 1794 N SER A 111 3.397 -4.372 13.499 1.00 0.00 N ATOM 1795 CA SER A 111 4.584 -5.200 13.330 1.00 0.00 C ATOM 1796 C SER A 111 4.367 -6.586 13.929 1.00 0.00 C ATOM 1797 O SER A 111 4.681 -6.823 15.095 1.00 0.00 O ATOM 1798 CB SER A 111 5.787 -4.533 13.993 1.00 0.00 C ATOM 1799 OG SER A 111 6.246 -3.431 13.229 1.00 0.00 O ATOM 0 H SER A 111 3.483 -3.658 14.223 1.00 0.00 H new ATOM 0 HA SER A 111 4.775 -5.309 12.263 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.515 -4.197 14.994 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.591 -5.259 14.108 1.00 0.00 H new ATOM 0 HG SER A 111 7.188 -3.259 13.436 1.00 0.00 H new ATOM 1805 N GLY A 112 3.829 -7.496 13.126 1.00 0.00 N ATOM 1806 CA GLY A 112 3.581 -8.846 13.598 1.00 0.00 C ATOM 1807 C GLY A 112 2.268 -8.973 14.353 1.00 0.00 C ATOM 1808 O GLY A 112 1.988 -10.013 14.948 1.00 0.00 O ATOM 0 H GLY A 112 3.560 -7.324 12.157 1.00 0.00 H new ATOM 0 HA2 GLY A 112 3.574 -9.528 12.748 1.00 0.00 H new ATOM 0 HA3 GLY A 112 4.400 -9.155 14.247 1.00 0.00 H new ATOM 1812 N ARG A 113 1.460 -7.916 14.326 1.00 0.00 N ATOM 1813 CA ARG A 113 0.173 -7.923 15.012 1.00 0.00 C ATOM 1814 C ARG A 113 -0.971 -7.967 14.003 1.00 0.00 C ATOM 1815 O ARG A 113 -1.187 -7.017 13.250 1.00 0.00 O ATOM 1816 CB ARG A 113 0.042 -6.691 15.910 1.00 0.00 C ATOM 1817 CG ARG A 113 0.074 -7.015 17.394 1.00 0.00 C ATOM 1818 CD ARG A 113 1.493 -6.980 17.939 1.00 0.00 C ATOM 1819 NE ARG A 113 1.814 -5.691 18.548 1.00 0.00 N ATOM 1820 CZ ARG A 113 1.505 -5.363 19.801 1.00 0.00 C ATOM 1821 NH1 ARG A 113 0.864 -6.224 20.582 1.00 0.00 N ATOM 1822 NH2 ARG A 113 1.838 -4.170 20.275 1.00 0.00 N ATOM 0 H ARG A 113 1.674 -7.046 13.838 1.00 0.00 H new ATOM 0 HA ARG A 113 0.119 -8.816 15.635 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.850 -5.997 15.681 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.893 -6.180 15.678 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.544 -6.300 17.937 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -0.358 -8.002 17.562 1.00 0.00 H new ATOM 0 HD2 ARG A 113 1.617 -7.771 18.678 1.00 0.00 H new ATOM 0 HD3 ARG A 113 2.196 -7.185 17.132 1.00 0.00 H new ATOM 0 HE ARG A 113 2.304 -5.001 17.979 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.605 -7.143 20.223 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.630 -5.967 21.541 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.331 -3.504 19.680 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.601 -3.918 21.235 1.00 0.00 H new ATOM 1836 N LYS A 114 -1.696 -9.081 13.987 1.00 0.00 N ATOM 1837 CA LYS A 114 -2.812 -9.256 13.064 1.00 0.00 C ATOM 1838 C LYS A 114 -4.048 -8.497 13.535 1.00 0.00 C ATOM 1839 O LYS A 114 -4.724 -8.912 14.476 1.00 0.00 O ATOM 1840 CB LYS A 114 -3.142 -10.743 12.911 1.00 0.00 C ATOM 1841 CG LYS A 114 -3.874 -11.072 11.620 1.00 0.00 C ATOM 1842 CD LYS A 114 -3.356 -12.359 10.998 1.00 0.00 C ATOM 1843 CE LYS A 114 -3.559 -12.370 9.492 1.00 0.00 C ATOM 1844 NZ LYS A 114 -4.990 -12.561 9.125 1.00 0.00 N ATOM 0 H LYS A 114 -1.530 -9.877 14.603 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.512 -8.850 12.098 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.217 -11.318 12.952 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -3.752 -11.060 13.756 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -4.941 -11.167 11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -3.754 -10.251 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.296 -12.473 11.224 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.870 -13.212 11.442 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -3.198 -11.432 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.962 -13.168 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.086 -12.563 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -5.328 -13.468 9.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -5.557 -11.786 9.524 1.00 0.00 H new ATOM 1858 N GLY A 115 -4.341 -7.387 12.865 1.00 0.00 N ATOM 1859 CA GLY A 115 -5.502 -6.590 13.220 1.00 0.00 C ATOM 1860 C GLY A 115 -6.736 -7.006 12.443 1.00 0.00 C ATOM 1861 O GLY A 115 -6.785 -8.108 11.898 1.00 0.00 O ATOM 0 H GLY A 115 -3.796 -7.025 12.083 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -5.696 -6.688 14.288 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -5.291 -5.538 13.029 1.00 0.00 H new ATOM 1865 N THR A 116 -7.735 -6.128 12.384 1.00 0.00 N ATOM 1866 CA THR A 116 -8.965 -6.423 11.662 1.00 0.00 C ATOM 1867 C THR A 116 -8.828 -6.057 10.187 1.00 0.00 C ATOM 1868 O THR A 116 -9.411 -6.704 9.318 1.00 0.00 O ATOM 1869 CB THR A 116 -10.139 -5.663 12.281 1.00 0.00 C ATOM 1870 OG1 THR A 116 -9.795 -4.307 12.507 1.00 0.00 O ATOM 1871 CG2 THR A 116 -10.600 -6.244 13.600 1.00 0.00 C ATOM 0 H THR A 116 -7.715 -5.209 12.827 1.00 0.00 H new ATOM 0 HA THR A 116 -9.155 -7.494 11.737 1.00 0.00 H new ATOM 0 HB THR A 116 -10.952 -5.751 11.560 1.00 0.00 H new ATOM 0 HG1 THR A 116 -10.559 -3.837 12.902 1.00 0.00 H new ATOM 0 HG21 THR A 116 -11.435 -5.658 13.984 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.919 -7.276 13.451 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.779 -6.218 14.316 1.00 0.00 H new ATOM 1879 N ASP A 117 -8.049 -5.013 9.914 1.00 0.00 N ATOM 1880 CA ASP A 117 -7.834 -4.558 8.545 1.00 0.00 C ATOM 1881 C ASP A 117 -6.751 -5.387 7.856 1.00 0.00 C ATOM 1882 O ASP A 117 -6.692 -5.450 6.628 1.00 0.00 O ATOM 1883 CB ASP A 117 -7.444 -3.078 8.533 1.00 0.00 C ATOM 1884 CG ASP A 117 -8.327 -2.239 9.437 1.00 0.00 C ATOM 1885 OD1 ASP A 117 -9.436 -1.862 8.999 1.00 0.00 O ATOM 1886 OD2 ASP A 117 -7.912 -1.959 10.581 1.00 0.00 O ATOM 0 H ASP A 117 -7.557 -4.468 10.622 1.00 0.00 H new ATOM 0 HA ASP A 117 -8.767 -4.687 7.996 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.406 -2.976 8.848 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.506 -2.697 7.514 1.00 0.00 H new ATOM 1891 N ASP A 118 -5.897 -6.023 8.654 1.00 0.00 N ATOM 1892 CA ASP A 118 -4.817 -6.850 8.127 1.00 0.00 C ATOM 1893 C ASP A 118 -5.347 -7.879 7.132 1.00 0.00 C ATOM 1894 O ASP A 118 -4.723 -8.144 6.105 1.00 0.00 O ATOM 1895 CB ASP A 118 -4.092 -7.560 9.272 1.00 0.00 C ATOM 1896 CG ASP A 118 -2.645 -7.864 8.943 1.00 0.00 C ATOM 1897 OD1 ASP A 118 -1.940 -6.952 8.463 1.00 0.00 O ATOM 1898 OD2 ASP A 118 -2.215 -9.016 9.165 1.00 0.00 O ATOM 0 H ASP A 118 -5.933 -5.980 9.672 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.117 -6.198 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -4.135 -6.938 10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -4.611 -8.490 9.505 1.00 0.00 H new ATOM 1903 N SER A 119 -6.501 -8.459 7.448 1.00 0.00 N ATOM 1904 CA SER A 119 -7.113 -9.463 6.584 1.00 0.00 C ATOM 1905 C SER A 119 -7.730 -8.829 5.337 1.00 0.00 C ATOM 1906 O SER A 119 -8.140 -9.533 4.415 1.00 0.00 O ATOM 1907 CB SER A 119 -8.180 -10.243 7.354 1.00 0.00 C ATOM 1908 OG SER A 119 -8.469 -11.477 6.720 1.00 0.00 O ATOM 0 H SER A 119 -7.030 -8.251 8.295 1.00 0.00 H new ATOM 0 HA SER A 119 -6.327 -10.146 6.261 1.00 0.00 H new ATOM 0 HB2 SER A 119 -7.837 -10.426 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 119 -9.089 -9.646 7.426 1.00 0.00 H new ATOM 0 HG SER A 119 -8.575 -11.333 5.757 1.00 0.00 H new ATOM 1914 N MET A 120 -7.790 -7.500 5.309 1.00 0.00 N ATOM 1915 CA MET A 120 -8.351 -6.788 4.167 1.00 0.00 C ATOM 1916 C MET A 120 -7.334 -6.712 3.036 1.00 0.00 C ATOM 1917 O MET A 120 -6.137 -6.872 3.261 1.00 0.00 O ATOM 1918 CB MET A 120 -8.787 -5.379 4.577 1.00 0.00 C ATOM 1919 CG MET A 120 -10.218 -5.048 4.186 1.00 0.00 C ATOM 1920 SD MET A 120 -10.441 -3.307 3.774 1.00 0.00 S ATOM 1921 CE MET A 120 -9.744 -2.524 5.227 1.00 0.00 C ATOM 0 H MET A 120 -7.458 -6.897 6.062 1.00 0.00 H new ATOM 0 HA MET A 120 -9.225 -7.337 3.816 1.00 0.00 H new ATOM 0 HB2 MET A 120 -8.681 -5.274 5.657 1.00 0.00 H new ATOM 0 HB3 MET A 120 -8.116 -4.652 4.119 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.508 -5.659 3.331 1.00 0.00 H new ATOM 0 HG3 MET A 120 -10.885 -5.311 5.007 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.596 -1.462 5.032 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.426 -2.647 6.069 1.00 0.00 H new ATOM 0 HE3 MET A 120 -8.786 -2.986 5.465 1.00 0.00 H new ATOM 1931 N THR A 121 -7.814 -6.467 1.821 1.00 0.00 N ATOM 1932 CA THR A 121 -6.937 -6.371 0.658 1.00 0.00 C ATOM 1933 C THR A 121 -6.854 -4.934 0.157 1.00 0.00 C ATOM 1934 O THR A 121 -7.758 -4.133 0.393 1.00 0.00 O ATOM 1935 CB THR A 121 -7.438 -7.287 -0.460 1.00 0.00 C ATOM 1936 OG1 THR A 121 -8.855 -7.295 -0.504 1.00 0.00 O ATOM 1937 CG2 THR A 121 -6.976 -8.720 -0.310 1.00 0.00 C ATOM 0 H THR A 121 -8.804 -6.331 1.616 1.00 0.00 H new ATOM 0 HA THR A 121 -5.939 -6.689 0.958 1.00 0.00 H new ATOM 0 HB THR A 121 -7.016 -6.880 -1.379 1.00 0.00 H new ATOM 0 HG1 THR A 121 -9.157 -7.885 -1.226 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.366 -9.316 -1.135 1.00 0.00 H new ATOM 0 HG22 THR A 121 -5.887 -8.754 -0.321 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.342 -9.123 0.634 1.00 0.00 H new ATOM 1945 N LEU A 122 -5.764 -4.611 -0.536 1.00 0.00 N ATOM 1946 CA LEU A 122 -5.571 -3.266 -1.067 1.00 0.00 C ATOM 1947 C LEU A 122 -6.724 -2.873 -1.986 1.00 0.00 C ATOM 1948 O LEU A 122 -7.294 -1.790 -1.853 1.00 0.00 O ATOM 1949 CB LEU A 122 -4.243 -3.180 -1.824 1.00 0.00 C ATOM 1950 CG LEU A 122 -3.225 -2.204 -1.231 1.00 0.00 C ATOM 1951 CD1 LEU A 122 -1.917 -2.262 -2.006 1.00 0.00 C ATOM 1952 CD2 LEU A 122 -3.782 -0.788 -1.222 1.00 0.00 C ATOM 0 H LEU A 122 -5.005 -5.260 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.548 -2.570 -0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -3.795 -4.173 -1.857 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.447 -2.888 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.026 -2.498 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.205 -1.561 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.509 -3.272 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.099 -1.995 -3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.043 -0.109 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.012 -0.481 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.691 -0.758 -0.621 1.00 0.00 H new ATOM 1964 N GLN A 123 -7.062 -3.760 -2.918 1.00 0.00 N ATOM 1965 CA GLN A 123 -8.148 -3.507 -3.863 1.00 0.00 C ATOM 1966 C GLN A 123 -9.409 -3.032 -3.142 1.00 0.00 C ATOM 1967 O GLN A 123 -10.134 -2.173 -3.643 1.00 0.00 O ATOM 1968 CB GLN A 123 -8.455 -4.774 -4.664 1.00 0.00 C ATOM 1969 CG GLN A 123 -8.844 -5.962 -3.798 1.00 0.00 C ATOM 1970 CD GLN A 123 -9.229 -7.178 -4.617 1.00 0.00 C ATOM 1971 OE1 GLN A 123 -9.761 -7.056 -5.719 1.00 0.00 O ATOM 1972 NE2 GLN A 123 -8.958 -8.363 -4.079 1.00 0.00 N ATOM 0 H GLN A 123 -6.600 -4.661 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 123 -7.825 -2.718 -4.543 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -9.264 -4.564 -5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.581 -5.039 -5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.011 -6.218 -3.143 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -9.679 -5.681 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.516 -8.417 -3.162 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -9.192 -9.218 -4.584 1.00 0.00 H new ATOM 1981 N SER A 124 -9.660 -3.594 -1.964 1.00 0.00 N ATOM 1982 CA SER A 124 -10.831 -3.226 -1.174 1.00 0.00 C ATOM 1983 C SER A 124 -10.698 -1.810 -0.611 1.00 0.00 C ATOM 1984 O SER A 124 -11.677 -1.224 -0.150 1.00 0.00 O ATOM 1985 CB SER A 124 -11.036 -4.224 -0.032 1.00 0.00 C ATOM 1986 OG SER A 124 -12.397 -4.604 0.075 1.00 0.00 O ATOM 0 H SER A 124 -9.069 -4.306 -1.535 1.00 0.00 H new ATOM 0 HA SER A 124 -11.699 -3.251 -1.833 1.00 0.00 H new ATOM 0 HB2 SER A 124 -10.421 -5.108 -0.202 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.704 -3.780 0.907 1.00 0.00 H new ATOM 0 HG SER A 124 -12.501 -5.243 0.811 1.00 0.00 H new ATOM 1992 N GLN A 125 -9.484 -1.267 -0.655 1.00 0.00 N ATOM 1993 CA GLN A 125 -9.227 0.081 -0.151 1.00 0.00 C ATOM 1994 C GLN A 125 -9.381 1.123 -1.260 1.00 0.00 C ATOM 1995 O GLN A 125 -8.961 2.270 -1.107 1.00 0.00 O ATOM 1996 CB GLN A 125 -7.816 0.177 0.444 1.00 0.00 C ATOM 1997 CG GLN A 125 -7.295 -1.121 1.043 1.00 0.00 C ATOM 1998 CD GLN A 125 -7.909 -1.433 2.392 1.00 0.00 C ATOM 1999 OE1 GLN A 125 -9.010 -0.979 2.706 1.00 0.00 O ATOM 2000 NE2 GLN A 125 -7.197 -2.210 3.198 1.00 0.00 N ATOM 0 H GLN A 125 -8.663 -1.739 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 125 -9.962 0.285 0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.128 0.505 -0.335 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -7.812 0.946 1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.502 -1.942 0.356 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -6.212 -1.059 1.148 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -6.289 -2.563 2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -7.557 -2.454 4.120 1.00 0.00 H new ATOM 2009 N LYS A 126 -9.976 0.712 -2.376 1.00 0.00 N ATOM 2010 CA LYS A 126 -10.178 1.606 -3.515 1.00 0.00 C ATOM 2011 C LYS A 126 -8.843 2.051 -4.114 1.00 0.00 C ATOM 2012 O LYS A 126 -8.797 2.978 -4.923 1.00 0.00 O ATOM 2013 CB LYS A 126 -10.996 2.832 -3.097 1.00 0.00 C ATOM 2014 CG LYS A 126 -12.469 2.532 -2.872 1.00 0.00 C ATOM 2015 CD LYS A 126 -13.024 3.312 -1.690 1.00 0.00 C ATOM 2016 CE LYS A 126 -12.893 2.528 -0.395 1.00 0.00 C ATOM 2017 NZ LYS A 126 -13.640 3.171 0.722 1.00 0.00 N ATOM 0 H LYS A 126 -10.327 -0.235 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 126 -10.728 1.053 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -10.574 3.245 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -10.903 3.600 -3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -13.033 2.781 -3.771 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -12.601 1.464 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -12.495 4.260 -1.598 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -14.073 3.549 -1.869 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -13.266 1.515 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -11.840 2.444 -0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -13.525 2.605 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -13.268 4.129 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -14.649 3.228 0.477 1.00 0.00 H new ATOM 2031 N PHE A 127 -7.758 1.386 -3.717 1.00 0.00 N ATOM 2032 CA PHE A 127 -6.432 1.717 -4.223 1.00 0.00 C ATOM 2033 C PHE A 127 -6.254 1.200 -5.647 1.00 0.00 C ATOM 2034 O PHE A 127 -6.949 0.279 -6.075 1.00 0.00 O ATOM 2035 CB PHE A 127 -5.357 1.122 -3.310 1.00 0.00 C ATOM 2036 CG PHE A 127 -3.954 1.381 -3.782 1.00 0.00 C ATOM 2037 CD1 PHE A 127 -3.355 2.613 -3.572 1.00 0.00 C ATOM 2038 CD2 PHE A 127 -3.235 0.394 -4.433 1.00 0.00 C ATOM 2039 CE1 PHE A 127 -2.066 2.854 -4.005 1.00 0.00 C ATOM 2040 CE2 PHE A 127 -1.945 0.628 -4.869 1.00 0.00 C ATOM 2041 CZ PHE A 127 -1.360 1.861 -4.654 1.00 0.00 C ATOM 0 H PHE A 127 -7.774 0.617 -3.048 1.00 0.00 H new ATOM 0 HA PHE A 127 -6.329 2.802 -4.234 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -5.476 1.533 -2.308 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -5.513 0.046 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -3.902 3.393 -3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.688 -0.572 -4.602 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.611 3.819 -3.836 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.395 -0.151 -5.377 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.352 2.048 -4.993 1.00 0.00 H new ATOM 2051 N GLN A 128 -5.318 1.797 -6.375 1.00 0.00 N ATOM 2052 CA GLN A 128 -5.046 1.396 -7.750 1.00 0.00 C ATOM 2053 C GLN A 128 -3.569 1.569 -8.084 1.00 0.00 C ATOM 2054 O GLN A 128 -2.824 2.201 -7.336 1.00 0.00 O ATOM 2055 CB GLN A 128 -5.900 2.215 -8.720 1.00 0.00 C ATOM 2056 CG GLN A 128 -5.787 3.716 -8.512 1.00 0.00 C ATOM 2057 CD GLN A 128 -7.127 4.420 -8.600 1.00 0.00 C ATOM 2058 OE1 GLN A 128 -7.760 4.444 -9.655 1.00 0.00 O ATOM 2059 NE2 GLN A 128 -7.567 4.997 -7.488 1.00 0.00 N ATOM 0 H GLN A 128 -4.734 2.561 -6.036 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.302 0.341 -7.853 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.606 1.975 -9.742 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -6.943 1.919 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -5.342 3.911 -7.536 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -5.112 4.133 -9.260 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.009 4.952 -6.635 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -8.463 5.485 -7.487 1.00 0.00 H new ATOM 2068 N ILE A 129 -3.152 1.004 -9.211 1.00 0.00 N ATOM 2069 CA ILE A 129 -1.763 1.097 -9.643 1.00 0.00 C ATOM 2070 C ILE A 129 -1.378 2.544 -9.932 1.00 0.00 C ATOM 2071 O ILE A 129 -1.836 3.135 -10.910 1.00 0.00 O ATOM 2072 CB ILE A 129 -1.505 0.243 -10.901 1.00 0.00 C ATOM 2073 CG1 ILE A 129 -1.975 -1.195 -10.672 1.00 0.00 C ATOM 2074 CG2 ILE A 129 -0.029 0.272 -11.275 1.00 0.00 C ATOM 2075 CD1 ILE A 129 -1.842 -2.077 -11.894 1.00 0.00 C ATOM 0 H ILE A 129 -3.756 0.477 -9.842 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.149 0.716 -8.827 1.00 0.00 H new ATOM 0 HB ILE A 129 -2.074 0.665 -11.729 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -1.400 -1.631 -9.855 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.018 -1.182 -10.356 1.00 0.00 H new ATOM 0 HG21 ILE A 129 0.133 -0.336 -12.165 1.00 0.00 H new ATOM 0 HG22 ILE A 129 0.275 1.299 -11.477 1.00 0.00 H new ATOM 0 HG23 ILE A 129 0.563 -0.126 -10.451 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.194 -3.081 -11.658 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -2.440 -1.665 -12.707 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -0.796 -2.121 -12.199 1.00 0.00 H new ATOM 2087 N GLY A 130 -0.532 3.109 -9.076 1.00 0.00 N ATOM 2088 CA GLY A 130 -0.102 4.482 -9.257 1.00 0.00 C ATOM 2089 C GLY A 130 -0.682 5.424 -8.218 1.00 0.00 C ATOM 2090 O GLY A 130 -0.255 6.573 -8.109 1.00 0.00 O ATOM 0 H GLY A 130 -0.137 2.640 -8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 130 0.986 4.526 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -0.394 4.821 -10.251 1.00 0.00 H new ATOM 2094 N ASP A 131 -1.658 4.943 -7.451 1.00 0.00 N ATOM 2095 CA ASP A 131 -2.291 5.760 -6.422 1.00 0.00 C ATOM 2096 C ASP A 131 -1.287 6.152 -5.347 1.00 0.00 C ATOM 2097 O ASP A 131 -0.205 5.572 -5.244 1.00 0.00 O ATOM 2098 CB ASP A 131 -3.471 5.012 -5.796 1.00 0.00 C ATOM 2099 CG ASP A 131 -4.777 5.771 -5.943 1.00 0.00 C ATOM 2100 OD1 ASP A 131 -5.158 6.081 -7.091 1.00 0.00 O ATOM 2101 OD2 ASP A 131 -5.416 6.056 -4.908 1.00 0.00 O ATOM 0 H ASP A 131 -2.026 3.994 -7.523 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.662 6.670 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.568 4.033 -6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.270 4.841 -4.739 1.00 0.00 H new ATOM 2106 N TYR A 132 -1.646 7.150 -4.550 1.00 0.00 N ATOM 2107 CA TYR A 132 -0.769 7.632 -3.485 1.00 0.00 C ATOM 2108 C TYR A 132 -1.268 7.199 -2.104 1.00 0.00 C ATOM 2109 O TYR A 132 -2.242 7.743 -1.579 1.00 0.00 O ATOM 2110 CB TYR A 132 -0.637 9.163 -3.534 1.00 0.00 C ATOM 2111 CG TYR A 132 -1.541 9.833 -4.548 1.00 0.00 C ATOM 2112 CD1 TYR A 132 -1.168 9.925 -5.884 1.00 0.00 C ATOM 2113 CD2 TYR A 132 -2.764 10.375 -4.170 1.00 0.00 C ATOM 2114 CE1 TYR A 132 -1.989 10.536 -6.813 1.00 0.00 C ATOM 2115 CE2 TYR A 132 -3.589 10.987 -5.094 1.00 0.00 C ATOM 2116 CZ TYR A 132 -3.197 11.066 -6.413 1.00 0.00 C ATOM 2117 OH TYR A 132 -4.017 11.676 -7.336 1.00 0.00 O ATOM 0 H TYR A 132 -2.537 7.642 -4.619 1.00 0.00 H new ATOM 0 HA TYR A 132 0.211 7.185 -3.650 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -0.856 9.567 -2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.398 9.420 -3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.222 9.512 -6.201 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -3.074 10.317 -3.137 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -1.685 10.598 -7.848 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -4.537 11.402 -4.784 1.00 0.00 H new ATOM 0 HH TYR A 132 -4.830 11.995 -6.891 1.00 0.00 H new ATOM 2127 N LEU A 133 -0.575 6.225 -1.519 1.00 0.00 N ATOM 2128 CA LEU A 133 -0.922 5.713 -0.198 1.00 0.00 C ATOM 2129 C LEU A 133 0.009 6.308 0.852 1.00 0.00 C ATOM 2130 O LEU A 133 1.228 6.245 0.713 1.00 0.00 O ATOM 2131 CB LEU A 133 -0.796 4.186 -0.171 1.00 0.00 C ATOM 2132 CG LEU A 133 -2.082 3.393 -0.420 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -1.853 1.927 -0.093 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -3.234 3.942 0.407 1.00 0.00 C ATOM 0 H LEU A 133 0.235 5.773 -1.943 1.00 0.00 H new ATOM 0 HA LEU A 133 -1.952 5.995 0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.062 3.890 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -0.396 3.893 0.800 1.00 0.00 H new ATOM 0 HG LEU A 133 -2.348 3.491 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -2.771 1.367 -0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -1.058 1.533 -0.726 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.566 1.828 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -4.134 3.359 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -2.985 3.877 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.410 4.984 0.139 1.00 0.00 H new ATOM 2146 N ASP A 134 -0.560 6.882 1.903 1.00 0.00 N ATOM 2147 CA ASP A 134 0.243 7.480 2.964 1.00 0.00 C ATOM 2148 C ASP A 134 0.135 6.676 4.253 1.00 0.00 C ATOM 2149 O ASP A 134 -0.882 6.728 4.946 1.00 0.00 O ATOM 2150 CB ASP A 134 -0.192 8.925 3.214 1.00 0.00 C ATOM 2151 CG ASP A 134 -1.699 9.074 3.262 1.00 0.00 C ATOM 2152 OD1 ASP A 134 -2.362 8.699 2.274 1.00 0.00 O ATOM 2153 OD2 ASP A 134 -2.214 9.564 4.289 1.00 0.00 O ATOM 0 H ASP A 134 -1.568 6.947 2.045 1.00 0.00 H new ATOM 0 HA ASP A 134 1.284 7.472 2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 134 0.235 9.273 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 134 0.209 9.564 2.427 1.00 0.00 H new ATOM 2158 N ILE A 135 1.189 5.932 4.571 1.00 0.00 N ATOM 2159 CA ILE A 135 1.213 5.122 5.780 1.00 0.00 C ATOM 2160 C ILE A 135 1.752 5.924 6.963 1.00 0.00 C ATOM 2161 O ILE A 135 2.761 6.618 6.846 1.00 0.00 O ATOM 2162 CB ILE A 135 2.070 3.851 5.589 1.00 0.00 C ATOM 2163 CG1 ILE A 135 1.490 2.981 4.470 1.00 0.00 C ATOM 2164 CG2 ILE A 135 2.158 3.060 6.889 1.00 0.00 C ATOM 2165 CD1 ILE A 135 2.476 2.676 3.364 1.00 0.00 C ATOM 0 H ILE A 135 2.037 5.874 4.007 1.00 0.00 H new ATOM 0 HA ILE A 135 0.185 4.824 5.987 1.00 0.00 H new ATOM 0 HB ILE A 135 3.078 4.155 5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.136 2.043 4.898 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.623 3.484 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 135 2.766 2.169 6.732 1.00 0.00 H new ATOM 0 HG22 ILE A 135 2.614 3.679 7.661 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.157 2.765 7.204 1.00 0.00 H new ATOM 0 HD11 ILE A 135 1.994 2.056 2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.812 3.608 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.333 2.144 3.777 1.00 0.00 H new ATOM 2177 N ALA A 136 1.075 5.820 8.100 1.00 0.00 N ATOM 2178 CA ALA A 136 1.489 6.531 9.304 1.00 0.00 C ATOM 2179 C ALA A 136 2.098 5.566 10.314 1.00 0.00 C ATOM 2180 O ALA A 136 1.379 4.895 11.050 1.00 0.00 O ATOM 2181 CB ALA A 136 0.303 7.264 9.917 1.00 0.00 C ATOM 0 H ALA A 136 0.237 5.250 8.214 1.00 0.00 H new ATOM 0 HA ALA A 136 2.248 7.263 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.626 7.791 10.815 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.093 7.981 9.198 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.474 6.545 10.177 1.00 0.00 H new ATOM 2187 N ILE A 137 3.428 5.494 10.339 1.00 0.00 N ATOM 2188 CA ILE A 137 4.123 4.596 11.255 1.00 0.00 C ATOM 2189 C ILE A 137 4.365 5.251 12.613 1.00 0.00 C ATOM 2190 O ILE A 137 4.931 6.340 12.702 1.00 0.00 O ATOM 2191 CB ILE A 137 5.468 4.126 10.669 1.00 0.00 C ATOM 2192 CG1 ILE A 137 5.269 3.594 9.247 1.00 0.00 C ATOM 2193 CG2 ILE A 137 6.091 3.059 11.557 1.00 0.00 C ATOM 2194 CD1 ILE A 137 6.541 3.080 8.609 1.00 0.00 C ATOM 0 H ILE A 137 4.042 6.044 9.738 1.00 0.00 H new ATOM 0 HA ILE A 137 3.474 3.731 11.394 1.00 0.00 H new ATOM 0 HB ILE A 137 6.148 4.977 10.629 1.00 0.00 H new ATOM 0 HG12 ILE A 137 4.533 2.790 9.268 1.00 0.00 H new ATOM 0 HG13 ILE A 137 4.856 4.388 8.625 1.00 0.00 H new ATOM 0 HG21 ILE A 137 7.040 2.738 11.129 1.00 0.00 H new ATOM 0 HG22 ILE A 137 6.262 3.469 12.553 1.00 0.00 H new ATOM 0 HG23 ILE A 137 5.417 2.205 11.627 1.00 0.00 H new ATOM 0 HD11 ILE A 137 6.324 2.719 7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 137 7.273 3.886 8.555 1.00 0.00 H new ATOM 0 HD13 ILE A 137 6.944 2.264 9.208 1.00 0.00 H new ATOM 2206 N THR A 138 3.930 4.567 13.669 1.00 0.00 N ATOM 2207 CA THR A 138 4.089 5.059 15.032 1.00 0.00 C ATOM 2208 C THR A 138 5.077 4.187 15.808 1.00 0.00 C ATOM 2209 O THR A 138 4.785 3.028 16.104 1.00 0.00 O ATOM 2210 CB THR A 138 2.739 5.070 15.750 1.00 0.00 C ATOM 2211 OG1 THR A 138 1.688 5.337 14.839 1.00 0.00 O ATOM 2212 CG2 THR A 138 2.659 6.095 16.860 1.00 0.00 C ATOM 0 H THR A 138 3.461 3.663 13.603 1.00 0.00 H new ATOM 0 HA THR A 138 4.479 6.076 14.985 1.00 0.00 H new ATOM 0 HB THR A 138 2.637 4.077 16.188 1.00 0.00 H new ATOM 0 HG1 THR A 138 0.833 5.338 15.317 1.00 0.00 H new ATOM 0 HG21 THR A 138 1.675 6.049 17.327 1.00 0.00 H new ATOM 0 HG22 THR A 138 3.425 5.884 17.606 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.819 7.091 16.448 1.00 0.00 H new ATOM 2220 N PRO A 139 6.261 4.726 16.154 1.00 0.00 N ATOM 2221 CA PRO A 139 7.276 3.974 16.900 1.00 0.00 C ATOM 2222 C PRO A 139 6.758 3.494 18.254 1.00 0.00 C ATOM 2223 O PRO A 139 5.887 4.125 18.853 1.00 0.00 O ATOM 2224 CB PRO A 139 8.418 4.981 17.087 1.00 0.00 C ATOM 2225 CG PRO A 139 7.802 6.318 16.855 1.00 0.00 C ATOM 2226 CD PRO A 139 6.704 6.097 15.855 1.00 0.00 C ATOM 0 HA PRO A 139 7.579 3.070 16.371 1.00 0.00 H new ATOM 0 HB2 PRO A 139 8.844 4.912 18.088 1.00 0.00 H new ATOM 0 HB3 PRO A 139 9.228 4.793 16.382 1.00 0.00 H new ATOM 0 HG2 PRO A 139 7.408 6.733 17.783 1.00 0.00 H new ATOM 0 HG3 PRO A 139 8.538 7.027 16.476 1.00 0.00 H new ATOM 0 HD2 PRO A 139 5.896 6.818 15.976 1.00 0.00 H new ATOM 0 HD3 PRO A 139 7.065 6.191 14.831 1.00 0.00 H new ATOM 2234 N PRO A 140 7.284 2.361 18.752 1.00 0.00 N ATOM 2235 CA PRO A 140 6.865 1.791 20.033 1.00 0.00 C ATOM 2236 C PRO A 140 7.586 2.408 21.232 1.00 0.00 C ATOM 2237 O PRO A 140 7.459 1.921 22.355 1.00 0.00 O ATOM 2238 CB PRO A 140 7.247 0.323 19.882 1.00 0.00 C ATOM 2239 CG PRO A 140 8.460 0.341 19.013 1.00 0.00 C ATOM 2240 CD PRO A 140 8.319 1.535 18.100 1.00 0.00 C ATOM 0 HA PRO A 140 5.808 1.969 20.232 1.00 0.00 H new ATOM 0 HB2 PRO A 140 7.458 -0.134 20.849 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.441 -0.252 19.427 1.00 0.00 H new ATOM 0 HG2 PRO A 140 9.366 0.418 19.614 1.00 0.00 H new ATOM 0 HG3 PRO A 140 8.537 -0.581 18.436 1.00 0.00 H new ATOM 0 HD2 PRO A 140 9.260 2.077 18.003 1.00 0.00 H new ATOM 0 HD3 PRO A 140 8.018 1.237 17.096 1.00 0.00 H new