USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=26 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 -150:sc= -2.16 (180deg=-1.78) USER MOD Set 1.2: A 121 THR OG1 : rot 180:sc= 0.207 USER MOD Set 1.3: A 124 SER OG : rot -95:sc= -0.945 USER MOD Set 1.4: A 125 GLN : amide:sc= -9.11 K(o=-12,f=-13!) USER MOD Set 2.1: A 70 THR OG1 : rot 60:sc= 0.135 USER MOD Set 2.2: A 109 THR OG1 : rot -108:sc= 0.843! USER MOD Set 3.1: A 88 ASN : amide:sc= -1.75 K(o=-0.79,f=-2.4!) USER MOD Set 3.2: A 108 SER OG : rot 43:sc= 0.958 USER MOD Set 4.1: A 86 HIS : no HD1:sc= -2.03 K(o=-7.1,f=-8!) USER MOD Set 4.2: A 110 MET CE :methyl -112:sc= -5.03 (180deg=-10.4!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 110:sc= -2.21 USER MOD Single : A 26 SER OG : rot 180:sc=-0.00748 USER MOD Single : A 34 THR OG1 : rot 117:sc= -1.43! USER MOD Single : A 35 THR OG1 : rot 130:sc= 0.00903 USER MOD Single : A 36 ASN : amide:sc= -1.11 X(o=-1.1,f=-0.79) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 15:sc= -3.11 USER MOD Single : A 62 MET CE :methyl -169:sc= -6.66! (180deg=-7.33!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0994 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 74 LYS NZ :NH3+ 159:sc=-0.00853 (180deg=-0.249) USER MOD Single : A 77 TYR OH : 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+ 169:sc= 0 (180deg=-0.0433) USER MOD Single : A 85 THR OG1 : rot 125:sc= 1.18 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 30:sc= 0.12 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.0288 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN :FLIP amide:sc= -2.41 F(o=-3.5,f=-2.4) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 GLN : amide:sc= -0.181 K(o=-0.18,f=-1!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot 79:sc= -0.793 USER MOD ----------------------------------------------------------------- ATOM 318 N ASP A 21 -4.979 -13.203 -8.768 1.00 0.00 N ATOM 319 CA ASP A 21 -4.712 -14.334 -7.886 1.00 0.00 C ATOM 320 C ASP A 21 -3.898 -13.901 -6.672 1.00 0.00 C ATOM 321 O ASP A 21 -2.693 -13.670 -6.769 1.00 0.00 O ATOM 322 CB ASP A 21 -3.973 -15.435 -8.650 1.00 0.00 C ATOM 323 CG ASP A 21 -4.644 -16.786 -8.512 1.00 0.00 C ATOM 324 OD1 ASP A 21 -5.579 -17.067 -9.292 1.00 0.00 O ATOM 325 OD2 ASP A 21 -4.235 -17.565 -7.624 1.00 0.00 O ATOM 0 HA ASP A 21 -5.667 -14.723 -7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.917 -15.166 -9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.949 -15.502 -8.284 1.00 0.00 H new ATOM 330 N ARG A 22 -4.566 -13.790 -5.525 1.00 0.00 N ATOM 331 CA ARG A 22 -3.917 -13.383 -4.280 1.00 0.00 C ATOM 332 C ARG A 22 -2.584 -14.106 -4.073 1.00 0.00 C ATOM 333 O ARG A 22 -1.681 -13.582 -3.421 1.00 0.00 O ATOM 334 CB ARG A 22 -4.846 -13.660 -3.094 1.00 0.00 C ATOM 335 CG ARG A 22 -5.506 -12.410 -2.531 1.00 0.00 C ATOM 336 CD ARG A 22 -6.560 -11.859 -3.478 1.00 0.00 C ATOM 337 NE ARG A 22 -7.822 -12.592 -3.379 1.00 0.00 N ATOM 338 CZ ARG A 22 -8.889 -12.159 -2.708 1.00 0.00 C ATOM 339 NH1 ARG A 22 -8.861 -10.995 -2.069 1.00 0.00 N ATOM 340 NH2 ARG A 22 -9.991 -12.895 -2.675 1.00 0.00 N ATOM 0 H ARG A 22 -5.564 -13.978 -5.432 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.711 -12.315 -4.346 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.621 -14.360 -3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.276 -14.147 -2.303 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.965 -12.642 -1.570 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.748 -11.649 -2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.734 -10.806 -3.254 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.190 -11.911 -4.502 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.890 -13.492 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.017 -10.423 -2.089 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.684 -10.673 -1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.021 -13.790 -3.162 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.809 -12.566 -2.162 1.00 0.00 H new ATOM 354 N GLU A 23 -2.472 -15.313 -4.621 1.00 0.00 N ATOM 355 CA GLU A 23 -1.253 -16.106 -4.482 1.00 0.00 C ATOM 356 C GLU A 23 -0.341 -15.955 -5.701 1.00 0.00 C ATOM 357 O GLU A 23 0.845 -15.661 -5.564 1.00 0.00 O ATOM 358 CB GLU A 23 -1.602 -17.580 -4.275 1.00 0.00 C ATOM 359 CG GLU A 23 -1.895 -17.937 -2.826 1.00 0.00 C ATOM 360 CD GLU A 23 -3.261 -18.567 -2.644 1.00 0.00 C ATOM 361 OE1 GLU A 23 -3.367 -19.805 -2.778 1.00 0.00 O ATOM 362 OE2 GLU A 23 -4.226 -17.823 -2.368 1.00 0.00 O ATOM 0 H GLU A 23 -3.209 -15.763 -5.164 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.715 -15.734 -3.610 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.471 -17.828 -4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.776 -18.194 -4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.131 -18.625 -2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.830 -17.037 -2.214 1.00 0.00 H new ATOM 369 N LYS A 24 -0.900 -16.170 -6.888 1.00 0.00 N ATOM 370 CA LYS A 24 -0.129 -16.068 -8.126 1.00 0.00 C ATOM 371 C LYS A 24 -0.204 -14.662 -8.719 1.00 0.00 C ATOM 372 O LYS A 24 -0.114 -14.485 -9.934 1.00 0.00 O ATOM 373 CB LYS A 24 -0.635 -17.090 -9.147 1.00 0.00 C ATOM 374 CG LYS A 24 -0.220 -18.518 -8.834 1.00 0.00 C ATOM 375 CD LYS A 24 -0.868 -19.509 -9.788 1.00 0.00 C ATOM 376 CE LYS A 24 -0.491 -20.943 -9.445 1.00 0.00 C ATOM 377 NZ LYS A 24 -0.077 -21.712 -10.650 1.00 0.00 N ATOM 0 H LYS A 24 -1.881 -16.415 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 24 0.913 -16.278 -7.887 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.723 -17.038 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.262 -16.820 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.865 -18.605 -8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.499 -18.763 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.952 -19.398 -9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.561 -19.286 -10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.322 -20.941 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.339 -21.438 -8.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.172 -22.683 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.861 -21.736 -11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.748 -21.255 -11.087 1.00 0.00 H new ATOM 391 N THR A 25 -0.369 -13.666 -7.856 1.00 0.00 N ATOM 392 CA THR A 25 -0.456 -12.277 -8.292 1.00 0.00 C ATOM 393 C THR A 25 0.901 -11.757 -8.759 1.00 0.00 C ATOM 394 O THR A 25 1.940 -12.351 -8.472 1.00 0.00 O ATOM 395 CB THR A 25 -0.972 -11.398 -7.154 1.00 0.00 C ATOM 396 OG1 THR A 25 -0.877 -10.028 -7.500 1.00 0.00 O ATOM 397 CG2 THR A 25 -0.213 -11.597 -5.859 1.00 0.00 C ATOM 0 H THR A 25 -0.445 -13.795 -6.847 1.00 0.00 H new ATOM 0 HA THR A 25 -1.151 -12.236 -9.131 1.00 0.00 H new ATOM 0 HB THR A 25 -2.009 -11.696 -7.001 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.776 -9.663 -7.640 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.627 -10.945 -5.090 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.303 -12.636 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.838 -11.354 -6.013 1.00 0.00 H new ATOM 405 N SER A 26 0.880 -10.633 -9.470 1.00 0.00 N ATOM 406 CA SER A 26 2.103 -10.017 -9.969 1.00 0.00 C ATOM 407 C SER A 26 2.437 -8.760 -9.166 1.00 0.00 C ATOM 408 O SER A 26 1.545 -7.985 -8.818 1.00 0.00 O ATOM 409 CB SER A 26 1.958 -9.667 -11.450 1.00 0.00 C ATOM 410 OG SER A 26 3.179 -9.856 -12.144 1.00 0.00 O ATOM 0 H SER A 26 0.027 -10.130 -9.713 1.00 0.00 H new ATOM 0 HA SER A 26 2.917 -10.732 -9.854 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.182 -10.287 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.636 -8.631 -11.551 1.00 0.00 H new ATOM 0 HG SER A 26 3.057 -9.626 -13.089 1.00 0.00 H new ATOM 416 N PRO A 27 3.725 -8.539 -8.852 1.00 0.00 N ATOM 417 CA PRO A 27 4.158 -7.371 -8.081 1.00 0.00 C ATOM 418 C PRO A 27 4.161 -6.089 -8.908 1.00 0.00 C ATOM 419 O PRO A 27 4.577 -6.085 -10.066 1.00 0.00 O ATOM 420 CB PRO A 27 5.581 -7.737 -7.662 1.00 0.00 C ATOM 421 CG PRO A 27 6.066 -8.652 -8.734 1.00 0.00 C ATOM 422 CD PRO A 27 4.859 -9.412 -9.218 1.00 0.00 C ATOM 0 HA PRO A 27 3.488 -7.165 -7.247 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.211 -6.851 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.594 -8.226 -6.688 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.524 -8.090 -9.548 1.00 0.00 H new ATOM 0 HG3 PRO A 27 6.826 -9.333 -8.350 1.00 0.00 H new ATOM 0 HD2 PRO A 27 4.900 -9.585 -10.293 1.00 0.00 H new ATOM 0 HD3 PRO A 27 4.783 -10.389 -8.740 1.00 0.00 H new ATOM 430 N LEU A 28 3.700 -5.001 -8.299 1.00 0.00 N ATOM 431 CA LEU A 28 3.652 -3.706 -8.970 1.00 0.00 C ATOM 432 C LEU A 28 4.365 -2.644 -8.139 1.00 0.00 C ATOM 433 O LEU A 28 4.311 -2.664 -6.909 1.00 0.00 O ATOM 434 CB LEU A 28 2.202 -3.288 -9.221 1.00 0.00 C ATOM 435 CG LEU A 28 1.411 -2.911 -7.965 1.00 0.00 C ATOM 436 CD1 LEU A 28 1.057 -1.431 -7.977 1.00 0.00 C ATOM 437 CD2 LEU A 28 0.157 -3.759 -7.850 1.00 0.00 C ATOM 0 H LEU A 28 3.354 -4.990 -7.340 1.00 0.00 H new ATOM 0 HA LEU A 28 4.162 -3.800 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.198 -2.438 -9.904 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.686 -4.105 -9.726 1.00 0.00 H new ATOM 0 HG LEU A 28 2.038 -3.105 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.495 -1.184 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.971 -0.838 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.450 -1.209 -8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.392 -3.477 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.472 -3.598 -8.725 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.434 -4.812 -7.790 1.00 0.00 H new ATOM 449 N LEU A 29 5.035 -1.721 -8.820 1.00 0.00 N ATOM 450 CA LEU A 29 5.764 -0.653 -8.145 1.00 0.00 C ATOM 451 C LEU A 29 4.864 0.552 -7.892 1.00 0.00 C ATOM 452 O LEU A 29 4.326 1.143 -8.827 1.00 0.00 O ATOM 453 CB LEU A 29 6.972 -0.231 -8.982 1.00 0.00 C ATOM 454 CG LEU A 29 7.868 0.826 -8.335 1.00 0.00 C ATOM 455 CD1 LEU A 29 8.418 0.318 -7.013 1.00 0.00 C ATOM 456 CD2 LEU A 29 8.999 1.211 -9.276 1.00 0.00 C ATOM 0 H LEU A 29 5.089 -1.691 -9.838 1.00 0.00 H new ATOM 0 HA LEU A 29 6.106 -1.034 -7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.574 -1.114 -9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.617 0.152 -9.939 1.00 0.00 H new ATOM 0 HG LEU A 29 7.270 1.715 -8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.054 1.082 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.592 0.092 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.003 -0.585 -7.185 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.627 1.964 -8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.598 0.330 -9.504 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.583 1.616 -10.199 1.00 0.00 H new ATOM 468 N LEU A 30 4.710 0.913 -6.621 1.00 0.00 N ATOM 469 CA LEU A 30 3.879 2.053 -6.250 1.00 0.00 C ATOM 470 C LEU A 30 4.612 2.967 -5.272 1.00 0.00 C ATOM 471 O LEU A 30 5.597 2.563 -4.645 1.00 0.00 O ATOM 472 CB LEU A 30 2.558 1.578 -5.636 1.00 0.00 C ATOM 473 CG LEU A 30 2.680 0.895 -4.273 1.00 0.00 C ATOM 474 CD1 LEU A 30 2.879 1.925 -3.173 1.00 0.00 C ATOM 475 CD2 LEU A 30 1.446 0.051 -3.991 1.00 0.00 C ATOM 0 H LEU A 30 5.148 0.434 -5.834 1.00 0.00 H new ATOM 0 HA LEU A 30 3.663 2.620 -7.156 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.893 2.436 -5.536 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.082 0.885 -6.330 1.00 0.00 H new ATOM 0 HG LEU A 30 3.552 0.242 -4.293 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.963 1.419 -2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.790 2.492 -3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.027 2.604 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.548 -0.429 -3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.562 0.688 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.343 -0.712 -4.762 1.00 0.00 H new ATOM 487 N ARG A 31 4.126 4.201 -5.152 1.00 0.00 N ATOM 488 CA ARG A 31 4.732 5.183 -4.258 1.00 0.00 C ATOM 489 C ARG A 31 4.063 5.173 -2.884 1.00 0.00 C ATOM 490 O ARG A 31 2.833 5.154 -2.774 1.00 0.00 O ATOM 491 CB ARG A 31 4.641 6.582 -4.870 1.00 0.00 C ATOM 492 CG ARG A 31 5.867 6.972 -5.680 1.00 0.00 C ATOM 493 CD ARG A 31 5.577 8.147 -6.598 1.00 0.00 C ATOM 494 NE ARG A 31 4.994 7.720 -7.868 1.00 0.00 N ATOM 495 CZ ARG A 31 4.821 8.527 -8.912 1.00 0.00 C ATOM 496 NH1 ARG A 31 5.184 9.802 -8.844 1.00 0.00 N ATOM 497 NH2 ARG A 31 4.282 8.057 -10.030 1.00 0.00 N ATOM 0 H ARG A 31 3.313 4.544 -5.664 1.00 0.00 H new ATOM 0 HA ARG A 31 5.780 4.913 -4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.761 6.633 -5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.496 7.310 -4.072 1.00 0.00 H new ATOM 0 HG2 ARG A 31 6.684 7.229 -5.005 1.00 0.00 H new ATOM 0 HG3 ARG A 31 6.199 6.119 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.895 8.836 -6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 31 6.500 8.694 -6.789 1.00 0.00 H new ATOM 0 HE ARG A 31 4.703 6.747 -7.960 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.599 10.169 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.048 10.414 -9.648 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.001 7.078 -10.088 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.149 8.675 -10.831 1.00 0.00 H new ATOM 511 N VAL A 32 4.886 5.189 -1.839 1.00 0.00 N ATOM 512 CA VAL A 32 4.390 5.184 -0.468 1.00 0.00 C ATOM 513 C VAL A 32 5.047 6.283 0.357 1.00 0.00 C ATOM 514 O VAL A 32 6.226 6.577 0.186 1.00 0.00 O ATOM 515 CB VAL A 32 4.645 3.832 0.231 1.00 0.00 C ATOM 516 CG1 VAL A 32 3.412 2.949 0.151 1.00 0.00 C ATOM 517 CG2 VAL A 32 5.856 3.128 -0.367 1.00 0.00 C ATOM 0 H VAL A 32 5.903 5.206 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 32 3.316 5.357 -0.530 1.00 0.00 H new ATOM 0 HB VAL A 32 4.858 4.028 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.611 2.000 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.575 3.447 0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.164 2.765 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.013 2.178 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.684 2.946 -1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.739 3.756 -0.245 1.00 0.00 H new ATOM 527 N PHE A 33 4.276 6.871 1.260 1.00 0.00 N ATOM 528 CA PHE A 33 4.777 7.928 2.130 1.00 0.00 C ATOM 529 C PHE A 33 4.596 7.519 3.584 1.00 0.00 C ATOM 530 O PHE A 33 3.479 7.488 4.098 1.00 0.00 O ATOM 531 CB PHE A 33 4.050 9.240 1.841 1.00 0.00 C ATOM 532 CG PHE A 33 3.944 9.542 0.373 1.00 0.00 C ATOM 533 CD1 PHE A 33 3.150 8.758 -0.448 1.00 0.00 C ATOM 534 CD2 PHE A 33 4.645 10.598 -0.184 1.00 0.00 C ATOM 535 CE1 PHE A 33 3.055 9.025 -1.800 1.00 0.00 C ATOM 536 CE2 PHE A 33 4.554 10.868 -1.536 1.00 0.00 C ATOM 537 CZ PHE A 33 3.758 10.080 -2.345 1.00 0.00 C ATOM 0 H PHE A 33 3.296 6.633 1.411 1.00 0.00 H new ATOM 0 HA PHE A 33 5.839 8.081 1.938 1.00 0.00 H new ATOM 0 HB2 PHE A 33 3.049 9.196 2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.575 10.057 2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.600 7.930 -0.027 1.00 0.00 H new ATOM 0 HD2 PHE A 33 5.269 11.217 0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.431 8.409 -2.430 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.105 11.695 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.686 10.289 -3.402 1.00 0.00 H new ATOM 547 N THR A 34 5.700 7.166 4.231 1.00 0.00 N ATOM 548 CA THR A 34 5.662 6.713 5.611 1.00 0.00 C ATOM 549 C THR A 34 6.246 7.736 6.576 1.00 0.00 C ATOM 550 O THR A 34 7.267 8.367 6.300 1.00 0.00 O ATOM 551 CB THR A 34 6.425 5.397 5.735 1.00 0.00 C ATOM 552 OG1 THR A 34 7.531 5.380 4.850 1.00 0.00 O ATOM 553 CG2 THR A 34 5.579 4.182 5.428 1.00 0.00 C ATOM 0 H THR A 34 6.633 7.186 3.819 1.00 0.00 H new ATOM 0 HA THR A 34 4.615 6.573 5.881 1.00 0.00 H new ATOM 0 HB THR A 34 6.744 5.344 6.776 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.362 5.323 5.366 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.183 3.281 5.535 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.738 4.140 6.121 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.204 4.248 4.407 1.00 0.00 H new ATOM 561 N THR A 35 5.594 7.859 7.722 1.00 0.00 N ATOM 562 CA THR A 35 6.030 8.769 8.779 1.00 0.00 C ATOM 563 C THR A 35 6.549 7.951 9.960 1.00 0.00 C ATOM 564 O THR A 35 6.268 6.757 10.039 1.00 0.00 O ATOM 565 CB THR A 35 4.871 9.671 9.225 1.00 0.00 C ATOM 566 OG1 THR A 35 4.164 9.089 10.306 1.00 0.00 O ATOM 567 CG2 THR A 35 3.867 9.958 8.128 1.00 0.00 C ATOM 0 H THR A 35 4.749 7.334 7.949 1.00 0.00 H new ATOM 0 HA THR A 35 6.828 9.407 8.398 1.00 0.00 H new ATOM 0 HB THR A 35 5.343 10.609 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.066 9.748 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 35 3.077 10.601 8.517 1.00 0.00 H new ATOM 0 HG22 THR A 35 4.367 10.458 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.433 9.021 7.778 1.00 0.00 H new ATOM 575 N ASN A 36 7.302 8.573 10.872 1.00 0.00 N ATOM 576 CA ASN A 36 7.836 7.852 12.017 1.00 0.00 C ATOM 577 C ASN A 36 7.107 8.233 13.304 1.00 0.00 C ATOM 578 O ASN A 36 7.633 8.049 14.400 1.00 0.00 O ATOM 579 CB ASN A 36 9.333 8.131 12.159 1.00 0.00 C ATOM 580 CG ASN A 36 9.971 7.313 13.263 1.00 0.00 C ATOM 581 OD1 ASN A 36 10.707 7.842 14.098 1.00 0.00 O ATOM 582 ND2 ASN A 36 9.695 6.014 13.275 1.00 0.00 N ATOM 0 H ASN A 36 7.550 9.562 10.836 1.00 0.00 H new ATOM 0 HA ASN A 36 7.682 6.787 11.847 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.832 7.913 11.215 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.485 9.191 12.362 1.00 0.00 H new ATOM 0 HD21 ASN A 36 10.098 5.414 13.995 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.080 5.617 12.565 1.00 0.00 H new ATOM 589 N ASN A 37 5.892 8.758 13.167 1.00 0.00 N ATOM 590 CA ASN A 37 5.099 9.151 14.330 1.00 0.00 C ATOM 591 C ASN A 37 3.623 8.808 14.133 1.00 0.00 C ATOM 592 O ASN A 37 2.766 9.217 14.918 1.00 0.00 O ATOM 593 CB ASN A 37 5.256 10.649 14.599 1.00 0.00 C ATOM 594 CG ASN A 37 5.368 10.960 16.079 1.00 0.00 C ATOM 595 OD1 ASN A 37 6.363 10.626 16.721 1.00 0.00 O ATOM 596 ND2 ASN A 37 4.342 11.600 16.628 1.00 0.00 N ATOM 0 H ASN A 37 5.437 8.921 12.269 1.00 0.00 H new ATOM 0 HA ASN A 37 5.468 8.593 15.191 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.144 11.017 14.085 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.402 11.182 14.182 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.359 11.834 17.621 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.537 11.858 16.057 1.00 0.00 H new ATOM 603 N GLY A 38 3.334 8.053 13.079 1.00 0.00 N ATOM 604 CA GLY A 38 1.961 7.663 12.792 1.00 0.00 C ATOM 605 C GLY A 38 1.007 8.842 12.822 1.00 0.00 C ATOM 606 O GLY A 38 0.036 8.843 13.579 1.00 0.00 O ATOM 0 H GLY A 38 4.025 7.702 12.416 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.918 7.189 11.811 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.638 6.919 13.520 1.00 0.00 H new ATOM 610 N ARG A 39 1.292 9.852 12.008 1.00 0.00 N ATOM 611 CA ARG A 39 0.458 11.048 11.959 1.00 0.00 C ATOM 612 C ARG A 39 -0.098 11.276 10.555 1.00 0.00 C ATOM 613 O ARG A 39 0.613 11.727 9.658 1.00 0.00 O ATOM 614 CB ARG A 39 1.256 12.272 12.406 1.00 0.00 C ATOM 615 CG ARG A 39 1.338 12.425 13.918 1.00 0.00 C ATOM 616 CD ARG A 39 0.647 13.694 14.394 1.00 0.00 C ATOM 617 NE ARG A 39 -0.415 13.409 15.358 1.00 0.00 N ATOM 618 CZ ARG A 39 -1.440 14.224 15.596 1.00 0.00 C ATOM 619 NH1 ARG A 39 -1.546 15.377 14.948 1.00 0.00 N ATOM 620 NH2 ARG A 39 -2.362 13.885 16.488 1.00 0.00 N ATOM 0 H ARG A 39 2.091 9.867 11.375 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.380 10.898 12.640 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.266 12.206 12.000 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.801 13.167 11.982 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.879 11.560 14.397 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.384 12.443 14.226 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.382 14.358 14.849 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.228 14.222 13.538 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.367 12.533 15.879 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.839 15.644 14.262 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.334 15.997 15.135 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.285 13.001 16.990 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.148 14.509 16.671 1.00 0.00 H new ATOM 864 N GLU A 55 9.132 9.327 1.145 1.00 0.00 N ATOM 865 CA GLU A 55 8.457 8.353 0.296 1.00 0.00 C ATOM 866 C GLU A 55 9.391 7.223 -0.123 1.00 0.00 C ATOM 867 O GLU A 55 10.582 7.432 -0.356 1.00 0.00 O ATOM 868 CB GLU A 55 7.883 9.036 -0.946 1.00 0.00 C ATOM 869 CG GLU A 55 8.898 9.881 -1.700 1.00 0.00 C ATOM 870 CD GLU A 55 9.116 9.403 -3.123 1.00 0.00 C ATOM 871 OE1 GLU A 55 8.240 9.658 -3.977 1.00 0.00 O ATOM 872 OE2 GLU A 55 10.163 8.775 -3.384 1.00 0.00 O ATOM 0 HA GLU A 55 7.645 7.920 0.881 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.485 8.275 -1.618 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.046 9.668 -0.649 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.561 10.917 -1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.848 9.863 -1.166 1.00 0.00 H new ATOM 879 N LEU A 56 8.827 6.025 -0.233 1.00 0.00 N ATOM 880 CA LEU A 56 9.587 4.847 -0.643 1.00 0.00 C ATOM 881 C LEU A 56 8.853 4.080 -1.741 1.00 0.00 C ATOM 882 O LEU A 56 7.821 4.528 -2.242 1.00 0.00 O ATOM 883 CB LEU A 56 9.864 3.916 0.549 1.00 0.00 C ATOM 884 CG LEU A 56 9.056 4.195 1.826 1.00 0.00 C ATOM 885 CD1 LEU A 56 7.959 3.154 2.011 1.00 0.00 C ATOM 886 CD2 LEU A 56 9.975 4.214 3.038 1.00 0.00 C ATOM 0 H LEU A 56 7.842 5.843 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 56 10.542 5.197 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.668 2.890 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.924 3.978 0.793 1.00 0.00 H new ATOM 0 HG LEU A 56 8.586 5.173 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.400 3.372 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.284 3.181 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.407 2.163 2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.389 4.413 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.470 3.248 3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.725 4.995 2.914 1.00 0.00 H new ATOM 898 N GLN A 57 9.394 2.924 -2.117 1.00 0.00 N ATOM 899 CA GLN A 57 8.788 2.103 -3.159 1.00 0.00 C ATOM 900 C GLN A 57 8.521 0.688 -2.655 1.00 0.00 C ATOM 901 O GLN A 57 9.337 0.109 -1.936 1.00 0.00 O ATOM 902 CB GLN A 57 9.697 2.054 -4.387 1.00 0.00 C ATOM 903 CG GLN A 57 9.551 3.258 -5.303 1.00 0.00 C ATOM 904 CD GLN A 57 10.734 4.205 -5.214 1.00 0.00 C ATOM 905 OE1 GLN A 57 11.813 3.916 -5.728 1.00 0.00 O ATOM 906 NE2 GLN A 57 10.533 5.341 -4.557 1.00 0.00 N ATOM 0 H GLN A 57 10.248 2.536 -1.717 1.00 0.00 H new ATOM 0 HA GLN A 57 7.835 2.555 -3.434 1.00 0.00 H new ATOM 0 HB2 GLN A 57 10.734 1.982 -4.058 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.479 1.149 -4.954 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.441 2.916 -6.332 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.639 3.797 -5.047 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.620 5.538 -4.147 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.291 6.017 -4.463 1.00 0.00 H new ATOM 915 N ILE A 58 7.375 0.132 -3.040 1.00 0.00 N ATOM 916 CA ILE A 58 7.005 -1.222 -2.627 1.00 0.00 C ATOM 917 C ILE A 58 6.430 -2.021 -3.788 1.00 0.00 C ATOM 918 O ILE A 58 5.583 -1.529 -4.536 1.00 0.00 O ATOM 919 CB ILE A 58 5.968 -1.223 -1.485 1.00 0.00 C ATOM 920 CG1 ILE A 58 5.106 0.039 -1.512 1.00 0.00 C ATOM 921 CG2 ILE A 58 6.665 -1.369 -0.146 1.00 0.00 C ATOM 922 CD1 ILE A 58 3.660 -0.218 -1.150 1.00 0.00 C ATOM 0 H ILE A 58 6.688 0.595 -3.635 1.00 0.00 H new ATOM 0 HA ILE A 58 7.927 -1.684 -2.275 1.00 0.00 H new ATOM 0 HB ILE A 58 5.305 -2.076 -1.631 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.523 0.770 -0.819 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.151 0.481 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.923 -1.368 0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.220 -2.307 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.354 -0.537 -0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.103 0.718 -1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.228 -0.926 -1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.605 -0.632 -0.143 1.00 0.00 H new ATOM 934 N TYR A 59 6.876 -3.264 -3.914 1.00 0.00 N ATOM 935 CA TYR A 59 6.382 -4.144 -4.961 1.00 0.00 C ATOM 936 C TYR A 59 5.255 -5.004 -4.407 1.00 0.00 C ATOM 937 O TYR A 59 5.466 -6.155 -4.024 1.00 0.00 O ATOM 938 CB TYR A 59 7.510 -5.029 -5.497 1.00 0.00 C ATOM 939 CG TYR A 59 8.473 -4.299 -6.404 1.00 0.00 C ATOM 940 CD1 TYR A 59 8.076 -3.861 -7.661 1.00 0.00 C ATOM 941 CD2 TYR A 59 9.779 -4.047 -6.005 1.00 0.00 C ATOM 942 CE1 TYR A 59 8.952 -3.192 -8.495 1.00 0.00 C ATOM 943 CE2 TYR A 59 10.661 -3.378 -6.831 1.00 0.00 C ATOM 944 CZ TYR A 59 10.242 -2.953 -8.074 1.00 0.00 C ATOM 945 OH TYR A 59 11.119 -2.287 -8.901 1.00 0.00 O ATOM 0 H TYR A 59 7.578 -3.684 -3.304 1.00 0.00 H new ATOM 0 HA TYR A 59 6.004 -3.539 -5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.063 -5.448 -4.656 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.075 -5.867 -6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.065 -4.046 -7.993 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.111 -4.380 -5.033 1.00 0.00 H new ATOM 0 HE1 TYR A 59 8.628 -2.859 -9.470 1.00 0.00 H new ATOM 0 HE2 TYR A 59 11.673 -3.189 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 59 11.987 -2.199 -8.454 1.00 0.00 H new ATOM 955 N THR A 60 4.059 -4.428 -4.349 1.00 0.00 N ATOM 956 CA THR A 60 2.899 -5.131 -3.818 1.00 0.00 C ATOM 957 C THR A 60 1.889 -5.438 -4.922 1.00 0.00 C ATOM 958 O THR A 60 2.125 -5.132 -6.090 1.00 0.00 O ATOM 959 CB THR A 60 2.241 -4.300 -2.711 1.00 0.00 C ATOM 960 OG1 THR A 60 1.456 -5.127 -1.866 1.00 0.00 O ATOM 961 CG2 THR A 60 1.353 -3.186 -3.231 1.00 0.00 C ATOM 0 H THR A 60 3.869 -3.477 -4.663 1.00 0.00 H new ATOM 0 HA THR A 60 3.237 -6.078 -3.398 1.00 0.00 H new ATOM 0 HB THR A 60 3.067 -3.845 -2.164 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.688 -6.067 -2.021 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.922 -2.642 -2.391 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.945 -2.503 -3.840 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.552 -3.611 -3.836 1.00 0.00 H new ATOM 969 N TRP A 61 0.762 -6.043 -4.548 1.00 0.00 N ATOM 970 CA TRP A 61 -0.268 -6.380 -5.523 1.00 0.00 C ATOM 971 C TRP A 61 -1.654 -5.942 -5.068 1.00 0.00 C ATOM 972 O TRP A 61 -2.133 -6.334 -4.008 1.00 0.00 O ATOM 973 CB TRP A 61 -0.266 -7.878 -5.824 1.00 0.00 C ATOM 974 CG TRP A 61 -0.365 -8.746 -4.607 1.00 0.00 C ATOM 975 CD1 TRP A 61 -1.465 -9.433 -4.179 1.00 0.00 C ATOM 976 CD2 TRP A 61 0.678 -9.034 -3.671 1.00 0.00 C ATOM 977 NE1 TRP A 61 -1.167 -10.136 -3.036 1.00 0.00 N ATOM 978 CE2 TRP A 61 0.143 -9.903 -2.701 1.00 0.00 C ATOM 979 CE3 TRP A 61 2.014 -8.640 -3.559 1.00 0.00 C ATOM 980 CZ2 TRP A 61 0.899 -10.386 -1.635 1.00 0.00 C ATOM 981 CZ3 TRP A 61 2.763 -9.118 -2.500 1.00 0.00 C ATOM 982 CH2 TRP A 61 2.204 -9.983 -1.551 1.00 0.00 C ATOM 0 H TRP A 61 0.543 -6.306 -3.587 1.00 0.00 H new ATOM 0 HA TRP A 61 -0.029 -5.833 -6.435 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.100 -8.105 -6.488 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.648 -8.128 -6.362 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.428 -9.425 -4.667 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -1.814 -10.733 -2.521 1.00 0.00 H new ATOM 0 HE3 TRP A 61 2.454 -7.974 -4.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 0.471 -11.054 -0.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 3.796 -8.819 -2.403 1.00 0.00 H new ATOM 0 HH2 TRP A 61 2.816 -10.340 -0.736 1.00 0.00 H new ATOM 993 N MET A 62 -2.268 -5.101 -5.888 1.00 0.00 N ATOM 994 CA MET A 62 -3.611 -4.550 -5.627 1.00 0.00 C ATOM 995 C MET A 62 -4.498 -5.521 -4.839 1.00 0.00 C ATOM 996 O MET A 62 -5.297 -5.100 -4.002 1.00 0.00 O ATOM 997 CB MET A 62 -4.309 -4.190 -6.945 1.00 0.00 C ATOM 998 CG MET A 62 -3.398 -3.535 -7.971 1.00 0.00 C ATOM 999 SD MET A 62 -2.496 -2.125 -7.301 1.00 0.00 S ATOM 1000 CE MET A 62 -3.842 -1.000 -6.957 1.00 0.00 C ATOM 0 H MET A 62 -1.855 -4.773 -6.761 1.00 0.00 H new ATOM 0 HA MET A 62 -3.468 -3.655 -5.022 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.734 -5.096 -7.378 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.140 -3.518 -6.732 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.687 -4.273 -8.343 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.993 -3.208 -8.824 1.00 0.00 H new ATOM 0 HE1 MET A 62 -3.441 -0.014 -6.723 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.490 -0.930 -7.831 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.417 -1.369 -6.107 1.00 0.00 H new ATOM 1010 N ASP A 63 -4.357 -6.815 -5.112 1.00 0.00 N ATOM 1011 CA ASP A 63 -5.149 -7.835 -4.424 1.00 0.00 C ATOM 1012 C ASP A 63 -4.428 -8.366 -3.184 1.00 0.00 C ATOM 1013 O ASP A 63 -4.612 -9.520 -2.798 1.00 0.00 O ATOM 1014 CB ASP A 63 -5.460 -8.992 -5.378 1.00 0.00 C ATOM 1015 CG ASP A 63 -6.894 -9.471 -5.263 1.00 0.00 C ATOM 1016 OD1 ASP A 63 -7.588 -9.049 -4.314 1.00 0.00 O ATOM 1017 OD2 ASP A 63 -7.324 -10.266 -6.124 1.00 0.00 O ATOM 0 H ASP A 63 -3.704 -7.184 -5.803 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.079 -7.369 -4.099 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.267 -8.675 -6.403 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.785 -9.822 -5.169 1.00 0.00 H new ATOM 1022 N ALA A 64 -3.607 -7.523 -2.567 1.00 0.00 N ATOM 1023 CA ALA A 64 -2.860 -7.914 -1.375 1.00 0.00 C ATOM 1024 C ALA A 64 -3.585 -7.490 -0.107 1.00 0.00 C ATOM 1025 O ALA A 64 -4.234 -6.444 -0.071 1.00 0.00 O ATOM 1026 CB ALA A 64 -1.463 -7.309 -1.405 1.00 0.00 C ATOM 0 H ALA A 64 -3.441 -6.564 -2.872 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.778 -9.001 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.917 -7.609 -0.510 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.932 -7.662 -2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.538 -6.222 -1.437 1.00 0.00 H new ATOM 1032 N THR A 65 -3.465 -8.302 0.939 1.00 0.00 N ATOM 1033 CA THR A 65 -4.105 -7.999 2.212 1.00 0.00 C ATOM 1034 C THR A 65 -3.247 -7.041 3.028 1.00 0.00 C ATOM 1035 O THR A 65 -2.022 -7.022 2.892 1.00 0.00 O ATOM 1036 CB THR A 65 -4.370 -9.282 3.004 1.00 0.00 C ATOM 1037 OG1 THR A 65 -3.700 -10.385 2.419 1.00 0.00 O ATOM 1038 CG2 THR A 65 -5.840 -9.634 3.097 1.00 0.00 C ATOM 0 H THR A 65 -2.932 -9.172 0.929 1.00 0.00 H new ATOM 0 HA THR A 65 -5.061 -7.518 2.005 1.00 0.00 H new ATOM 0 HB THR A 65 -3.995 -9.082 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.882 -11.193 2.942 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.958 -10.553 3.671 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.377 -8.825 3.592 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.244 -9.777 2.095 1.00 0.00 H new ATOM 1046 N LEU A 66 -3.897 -6.249 3.882 1.00 0.00 N ATOM 1047 CA LEU A 66 -3.200 -5.283 4.730 1.00 0.00 C ATOM 1048 C LEU A 66 -1.929 -5.888 5.320 1.00 0.00 C ATOM 1049 O LEU A 66 -0.950 -5.185 5.565 1.00 0.00 O ATOM 1050 CB LEU A 66 -4.128 -4.798 5.850 1.00 0.00 C ATOM 1051 CG LEU A 66 -4.920 -3.512 5.556 1.00 0.00 C ATOM 1052 CD1 LEU A 66 -4.281 -2.319 6.249 1.00 0.00 C ATOM 1053 CD2 LEU A 66 -5.028 -3.257 4.056 1.00 0.00 C ATOM 0 H LEU A 66 -4.910 -6.259 4.004 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.914 -4.432 4.113 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.837 -5.594 6.079 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.530 -4.636 6.747 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.928 -3.647 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.856 -1.419 6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.269 -2.487 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.259 -2.194 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.593 -2.341 3.882 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.029 -3.153 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.539 -4.094 3.580 1.00 0.00 H new ATOM 1065 N LYS A 67 -1.949 -7.201 5.535 1.00 0.00 N ATOM 1066 CA LYS A 67 -0.794 -7.899 6.083 1.00 0.00 C ATOM 1067 C LYS A 67 0.411 -7.760 5.153 1.00 0.00 C ATOM 1068 O LYS A 67 1.475 -7.298 5.562 1.00 0.00 O ATOM 1069 CB LYS A 67 -1.123 -9.378 6.302 1.00 0.00 C ATOM 1070 CG LYS A 67 -0.404 -9.987 7.496 1.00 0.00 C ATOM 1071 CD LYS A 67 0.789 -10.821 7.061 1.00 0.00 C ATOM 1072 CE LYS A 67 1.628 -11.256 8.253 1.00 0.00 C ATOM 1073 NZ LYS A 67 3.049 -11.494 7.875 1.00 0.00 N ATOM 0 H LYS A 67 -2.751 -7.800 5.338 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.544 -7.447 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.199 -9.486 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.860 -9.938 5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.070 -9.194 8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.098 -10.609 8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.441 -11.700 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.406 -10.244 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.582 -10.491 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.208 -12.167 8.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.587 -11.789 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 3.096 -12.242 7.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.458 -10.618 7.492 1.00 0.00 H new ATOM 1087 N GLU A 68 0.232 -8.161 3.895 1.00 0.00 N ATOM 1088 CA GLU A 68 1.300 -8.081 2.903 1.00 0.00 C ATOM 1089 C GLU A 68 1.923 -6.689 2.872 1.00 0.00 C ATOM 1090 O GLU A 68 3.142 -6.545 2.789 1.00 0.00 O ATOM 1091 CB GLU A 68 0.760 -8.440 1.518 1.00 0.00 C ATOM 1092 CG GLU A 68 0.251 -9.868 1.422 1.00 0.00 C ATOM 1093 CD GLU A 68 1.372 -10.892 1.424 1.00 0.00 C ATOM 1094 OE1 GLU A 68 2.551 -10.483 1.476 1.00 0.00 O ATOM 1095 OE2 GLU A 68 1.068 -12.102 1.374 1.00 0.00 O ATOM 0 H GLU A 68 -0.644 -8.545 3.540 1.00 0.00 H new ATOM 0 HA GLU A 68 2.074 -8.794 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.049 -7.756 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.548 -8.292 0.779 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.419 -10.067 2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.336 -9.980 0.510 1.00 0.00 H new ATOM 1102 N LEU A 69 1.079 -5.667 2.944 1.00 0.00 N ATOM 1103 CA LEU A 69 1.554 -4.288 2.931 1.00 0.00 C ATOM 1104 C LEU A 69 2.307 -3.973 4.218 1.00 0.00 C ATOM 1105 O LEU A 69 3.217 -3.144 4.232 1.00 0.00 O ATOM 1106 CB LEU A 69 0.384 -3.314 2.746 1.00 0.00 C ATOM 1107 CG LEU A 69 -0.533 -3.600 1.549 1.00 0.00 C ATOM 1108 CD1 LEU A 69 0.251 -4.198 0.389 1.00 0.00 C ATOM 1109 CD2 LEU A 69 -1.670 -4.521 1.961 1.00 0.00 C ATOM 0 H LEU A 69 0.066 -5.766 3.012 1.00 0.00 H new ATOM 0 HA LEU A 69 2.237 -4.169 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.220 -3.322 3.654 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.786 -2.307 2.640 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.957 -2.654 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.424 -4.391 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.026 -3.499 0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.713 -5.133 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.311 -4.714 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.261 -5.463 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.254 -4.047 2.750 1.00 0.00 H new ATOM 1121 N THR A 70 1.928 -4.653 5.297 1.00 0.00 N ATOM 1122 CA THR A 70 2.572 -4.463 6.590 1.00 0.00 C ATOM 1123 C THR A 70 4.057 -4.784 6.499 1.00 0.00 C ATOM 1124 O THR A 70 4.886 -4.104 7.102 1.00 0.00 O ATOM 1125 CB THR A 70 1.909 -5.353 7.642 1.00 0.00 C ATOM 1126 OG1 THR A 70 0.499 -5.222 7.591 1.00 0.00 O ATOM 1127 CG2 THR A 70 2.346 -5.042 9.055 1.00 0.00 C ATOM 0 H THR A 70 1.176 -5.342 5.299 1.00 0.00 H new ATOM 0 HA THR A 70 2.459 -3.419 6.883 1.00 0.00 H new ATOM 0 HB THR A 70 2.223 -6.368 7.399 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.177 -5.490 6.705 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.837 -5.711 9.749 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.424 -5.181 9.142 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.093 -4.009 9.295 1.00 0.00 H new ATOM 1135 N SER A 71 4.385 -5.821 5.735 1.00 0.00 N ATOM 1136 CA SER A 71 5.774 -6.231 5.558 1.00 0.00 C ATOM 1137 C SER A 71 6.461 -5.368 4.505 1.00 0.00 C ATOM 1138 O SER A 71 7.619 -4.986 4.658 1.00 0.00 O ATOM 1139 CB SER A 71 5.847 -7.705 5.152 1.00 0.00 C ATOM 1140 OG SER A 71 5.311 -8.540 6.162 1.00 0.00 O ATOM 0 H SER A 71 3.709 -6.393 5.229 1.00 0.00 H new ATOM 0 HA SER A 71 6.291 -6.099 6.508 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.299 -7.857 4.222 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.884 -7.981 4.960 1.00 0.00 H new ATOM 0 HG SER A 71 5.368 -9.476 5.877 1.00 0.00 H new ATOM 1146 N LEU A 72 5.734 -5.060 3.439 1.00 0.00 N ATOM 1147 CA LEU A 72 6.258 -4.237 2.353 1.00 0.00 C ATOM 1148 C LEU A 72 6.820 -2.915 2.881 1.00 0.00 C ATOM 1149 O LEU A 72 7.921 -2.508 2.510 1.00 0.00 O ATOM 1150 CB LEU A 72 5.149 -3.982 1.332 1.00 0.00 C ATOM 1151 CG LEU A 72 5.005 -5.066 0.262 1.00 0.00 C ATOM 1152 CD1 LEU A 72 3.547 -5.247 -0.124 1.00 0.00 C ATOM 1153 CD2 LEU A 72 5.844 -4.727 -0.960 1.00 0.00 C ATOM 0 H LEU A 72 4.772 -5.370 3.301 1.00 0.00 H new ATOM 0 HA LEU A 72 7.078 -4.771 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.201 -3.885 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.339 -3.028 0.840 1.00 0.00 H new ATOM 0 HG LEU A 72 5.368 -6.006 0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.466 -6.022 -0.886 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.972 -5.540 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.156 -4.309 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.728 -5.510 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.514 -3.775 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.893 -4.653 -0.672 1.00 0.00 H new ATOM 1165 N VAL A 73 6.060 -2.254 3.748 1.00 0.00 N ATOM 1166 CA VAL A 73 6.482 -0.979 4.327 1.00 0.00 C ATOM 1167 C VAL A 73 7.525 -1.183 5.430 1.00 0.00 C ATOM 1168 O VAL A 73 8.543 -0.492 5.471 1.00 0.00 O ATOM 1169 CB VAL A 73 5.275 -0.207 4.906 1.00 0.00 C ATOM 1170 CG1 VAL A 73 5.733 0.992 5.724 1.00 0.00 C ATOM 1171 CG2 VAL A 73 4.346 0.234 3.787 1.00 0.00 C ATOM 0 H VAL A 73 5.147 -2.579 4.067 1.00 0.00 H new ATOM 0 HA VAL A 73 6.930 -0.397 3.522 1.00 0.00 H new ATOM 0 HB VAL A 73 4.730 -0.877 5.571 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.863 1.517 6.119 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.358 0.652 6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.307 1.668 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.500 0.777 4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.887 0.884 3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.983 -0.642 3.249 1.00 0.00 H new ATOM 1181 N LYS A 74 7.255 -2.122 6.329 1.00 0.00 N ATOM 1182 CA LYS A 74 8.162 -2.403 7.438 1.00 0.00 C ATOM 1183 C LYS A 74 9.527 -2.889 6.937 1.00 0.00 C ATOM 1184 O LYS A 74 10.546 -2.663 7.588 1.00 0.00 O ATOM 1185 CB LYS A 74 7.515 -3.431 8.381 1.00 0.00 C ATOM 1186 CG LYS A 74 8.495 -4.313 9.142 1.00 0.00 C ATOM 1187 CD LYS A 74 8.589 -5.693 8.513 1.00 0.00 C ATOM 1188 CE LYS A 74 8.670 -6.785 9.568 1.00 0.00 C ATOM 1189 NZ LYS A 74 9.690 -7.813 9.228 1.00 0.00 N ATOM 0 H LYS A 74 6.416 -2.702 6.313 1.00 0.00 H new ATOM 0 HA LYS A 74 8.339 -1.479 7.989 1.00 0.00 H new ATOM 0 HB2 LYS A 74 6.893 -2.900 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.852 -4.070 7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.480 -3.845 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.177 -4.404 10.181 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.720 -5.864 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.468 -5.741 7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.912 -6.340 10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.695 -7.262 9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.971 -8.322 10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.290 -8.486 8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.523 -7.351 8.812 1.00 0.00 H new ATOM 1203 N GLU A 75 9.542 -3.551 5.784 1.00 0.00 N ATOM 1204 CA GLU A 75 10.786 -4.058 5.212 1.00 0.00 C ATOM 1205 C GLU A 75 11.558 -2.944 4.513 1.00 0.00 C ATOM 1206 O GLU A 75 12.789 -2.939 4.499 1.00 0.00 O ATOM 1207 CB GLU A 75 10.502 -5.192 4.226 1.00 0.00 C ATOM 1208 CG GLU A 75 11.666 -6.155 4.058 1.00 0.00 C ATOM 1209 CD GLU A 75 11.678 -7.242 5.115 1.00 0.00 C ATOM 1210 OE1 GLU A 75 10.802 -8.129 5.065 1.00 0.00 O ATOM 1211 OE2 GLU A 75 12.564 -7.203 5.995 1.00 0.00 O ATOM 0 H GLU A 75 8.710 -3.749 5.228 1.00 0.00 H new ATOM 0 HA GLU A 75 11.396 -4.444 6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.627 -5.747 4.565 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.251 -4.764 3.255 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.614 -6.614 3.071 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.603 -5.599 4.103 1.00 0.00 H new ATOM 1218 N VAL A 76 10.823 -2.001 3.932 1.00 0.00 N ATOM 1219 CA VAL A 76 11.438 -0.874 3.242 1.00 0.00 C ATOM 1220 C VAL A 76 11.875 0.188 4.245 1.00 0.00 C ATOM 1221 O VAL A 76 12.810 0.949 3.995 1.00 0.00 O ATOM 1222 CB VAL A 76 10.470 -0.241 2.220 1.00 0.00 C ATOM 1223 CG1 VAL A 76 9.173 0.156 2.897 1.00 0.00 C ATOM 1224 CG2 VAL A 76 11.096 0.962 1.536 1.00 0.00 C ATOM 0 H VAL A 76 9.803 -1.995 3.925 1.00 0.00 H new ATOM 0 HA VAL A 76 12.308 -1.254 2.707 1.00 0.00 H new ATOM 0 HB VAL A 76 10.257 -0.988 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.501 0.601 2.163 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.704 -0.727 3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.381 0.880 3.685 1.00 0.00 H new ATOM 0 HG21 VAL A 76 10.388 1.384 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.350 1.714 2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 76 12.000 0.653 1.011 1.00 0.00 H new ATOM 1234 N TYR A 77 11.188 0.230 5.384 1.00 0.00 N ATOM 1235 CA TYR A 77 11.496 1.191 6.433 1.00 0.00 C ATOM 1236 C TYR A 77 12.128 0.493 7.639 1.00 0.00 C ATOM 1237 O TYR A 77 11.534 -0.413 8.221 1.00 0.00 O ATOM 1238 CB TYR A 77 10.225 1.927 6.855 1.00 0.00 C ATOM 1239 CG TYR A 77 10.418 3.414 7.032 1.00 0.00 C ATOM 1240 CD1 TYR A 77 11.362 3.914 7.920 1.00 0.00 C ATOM 1241 CD2 TYR A 77 9.654 4.319 6.310 1.00 0.00 C ATOM 1242 CE1 TYR A 77 11.539 5.274 8.082 1.00 0.00 C ATOM 1243 CE2 TYR A 77 9.826 5.682 6.464 1.00 0.00 C ATOM 1244 CZ TYR A 77 10.769 6.154 7.351 1.00 0.00 C ATOM 1245 OH TYR A 77 10.943 7.510 7.509 1.00 0.00 O ATOM 0 H TYR A 77 10.411 -0.394 5.602 1.00 0.00 H new ATOM 0 HA TYR A 77 12.213 1.913 6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.451 1.756 6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 77 9.863 1.502 7.791 1.00 0.00 H new ATOM 0 HD1 TYR A 77 11.968 3.228 8.493 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.912 3.953 5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 77 12.277 5.646 8.778 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.225 6.373 5.892 1.00 0.00 H new ATOM 0 HH TYR A 77 10.324 7.990 6.921 1.00 0.00 H new ATOM 1255 N PRO A 78 13.352 0.903 8.028 1.00 0.00 N ATOM 1256 CA PRO A 78 14.060 0.305 9.165 1.00 0.00 C ATOM 1257 C PRO A 78 13.359 0.558 10.497 1.00 0.00 C ATOM 1258 O PRO A 78 13.174 -0.360 11.296 1.00 0.00 O ATOM 1259 CB PRO A 78 15.432 0.993 9.150 1.00 0.00 C ATOM 1260 CG PRO A 78 15.544 1.642 7.813 1.00 0.00 C ATOM 1261 CD PRO A 78 14.143 1.969 7.392 1.00 0.00 C ATOM 0 HA PRO A 78 14.111 -0.780 9.072 1.00 0.00 H new ATOM 0 HB2 PRO A 78 15.509 1.729 9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.234 0.271 9.303 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.155 2.543 7.867 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.021 0.975 7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.838 2.958 7.735 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.035 1.960 6.307 1.00 0.00 H new ATOM 1269 N GLU A 79 12.983 1.810 10.736 1.00 0.00 N ATOM 1270 CA GLU A 79 12.314 2.188 11.976 1.00 0.00 C ATOM 1271 C GLU A 79 10.997 1.434 12.164 1.00 0.00 C ATOM 1272 O GLU A 79 10.467 1.370 13.272 1.00 0.00 O ATOM 1273 CB GLU A 79 12.055 3.696 11.997 1.00 0.00 C ATOM 1274 CG GLU A 79 13.284 4.529 11.674 1.00 0.00 C ATOM 1275 CD GLU A 79 13.247 5.899 12.321 1.00 0.00 C ATOM 1276 OE1 GLU A 79 13.664 6.014 13.492 1.00 0.00 O ATOM 1277 OE2 GLU A 79 12.801 6.859 11.657 1.00 0.00 O ATOM 0 H GLU A 79 13.131 2.582 10.086 1.00 0.00 H new ATOM 0 HA GLU A 79 12.975 1.919 12.800 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.268 3.931 11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.683 3.979 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.176 3.998 12.007 1.00 0.00 H new ATOM 0 HG3 GLU A 79 13.367 4.644 10.593 1.00 0.00 H new ATOM 1284 N ALA A 80 10.472 0.870 11.082 1.00 0.00 N ATOM 1285 CA ALA A 80 9.216 0.130 11.143 1.00 0.00 C ATOM 1286 C ALA A 80 9.434 -1.315 11.585 1.00 0.00 C ATOM 1287 O ALA A 80 8.595 -1.895 12.274 1.00 0.00 O ATOM 1288 CB ALA A 80 8.517 0.168 9.794 1.00 0.00 C ATOM 0 H ALA A 80 10.895 0.910 10.155 1.00 0.00 H new ATOM 0 HA ALA A 80 8.583 0.612 11.888 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.581 -0.388 9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.308 1.202 9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 80 9.160 -0.283 9.038 1.00 0.00 H new ATOM 1294 N ARG A 81 10.559 -1.892 11.179 1.00 0.00 N ATOM 1295 CA ARG A 81 10.884 -3.275 11.527 1.00 0.00 C ATOM 1296 C ARG A 81 10.847 -3.501 13.039 1.00 0.00 C ATOM 1297 O ARG A 81 10.728 -4.637 13.498 1.00 0.00 O ATOM 1298 CB ARG A 81 12.262 -3.649 10.977 1.00 0.00 C ATOM 1299 CG ARG A 81 12.202 -4.508 9.723 1.00 0.00 C ATOM 1300 CD ARG A 81 13.008 -5.787 9.876 1.00 0.00 C ATOM 1301 NE ARG A 81 14.309 -5.698 9.217 1.00 0.00 N ATOM 1302 CZ ARG A 81 15.004 -6.753 8.799 1.00 0.00 C ATOM 1303 NH1 ARG A 81 14.535 -7.983 8.974 1.00 0.00 N ATOM 1304 NH2 ARG A 81 16.176 -6.580 8.203 1.00 0.00 N ATOM 0 H ARG A 81 11.264 -1.425 10.608 1.00 0.00 H new ATOM 0 HA ARG A 81 10.127 -3.915 11.074 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.816 -2.737 10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.819 -4.183 11.747 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.164 -4.757 9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.581 -3.939 8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.152 -6.000 10.935 1.00 0.00 H new ATOM 0 HD3 ARG A 81 12.446 -6.622 9.457 1.00 0.00 H new ATOM 0 HE ARG A 81 14.709 -4.771 9.068 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.635 -8.125 9.432 1.00 0.00 H new ATOM 0 HH12 ARG A 81 15.075 -8.786 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.544 -5.639 8.065 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.709 -7.388 7.882 1.00 0.00 H new ATOM 1318 N LYS A 82 10.953 -2.422 13.810 1.00 0.00 N ATOM 1319 CA LYS A 82 10.935 -2.521 15.265 1.00 0.00 C ATOM 1320 C LYS A 82 9.630 -3.144 15.752 1.00 0.00 C ATOM 1321 O LYS A 82 8.552 -2.814 15.262 1.00 0.00 O ATOM 1322 CB LYS A 82 11.122 -1.140 15.894 1.00 0.00 C ATOM 1323 CG LYS A 82 12.580 -0.762 16.108 1.00 0.00 C ATOM 1324 CD LYS A 82 12.815 -0.190 17.498 1.00 0.00 C ATOM 1325 CE LYS A 82 14.088 -0.743 18.120 1.00 0.00 C ATOM 1326 NZ LYS A 82 14.182 -0.427 19.572 1.00 0.00 N ATOM 0 H LYS A 82 11.052 -1.472 13.452 1.00 0.00 H new ATOM 0 HA LYS A 82 11.760 -3.165 15.571 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.651 -0.392 15.256 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.604 -1.113 16.852 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.209 -1.641 15.965 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.880 -0.030 15.358 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.880 0.897 17.439 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.964 -0.425 18.138 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.119 -1.824 17.981 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.954 -0.330 17.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.064 -0.822 19.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.178 0.605 19.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.370 -0.843 20.071 1.00 0.00 H new ATOM 1340 N LYS A 83 9.739 -4.047 16.722 1.00 0.00 N ATOM 1341 CA LYS A 83 8.567 -4.714 17.278 1.00 0.00 C ATOM 1342 C LYS A 83 7.722 -3.739 18.089 1.00 0.00 C ATOM 1343 O LYS A 83 8.251 -2.919 18.841 1.00 0.00 O ATOM 1344 CB LYS A 83 8.994 -5.896 18.152 1.00 0.00 C ATOM 1345 CG LYS A 83 8.302 -7.200 17.787 1.00 0.00 C ATOM 1346 CD LYS A 83 9.135 -8.019 16.814 1.00 0.00 C ATOM 1347 CE LYS A 83 10.254 -8.761 17.526 1.00 0.00 C ATOM 1348 NZ LYS A 83 9.748 -9.942 18.280 1.00 0.00 N ATOM 0 H LYS A 83 10.625 -4.333 17.138 1.00 0.00 H new ATOM 0 HA LYS A 83 7.962 -5.086 16.451 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.072 -6.030 18.067 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.783 -5.661 19.195 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.119 -7.782 18.691 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.329 -6.986 17.344 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.495 -8.734 16.297 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.558 -7.363 16.054 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.995 -9.087 16.796 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.760 -8.082 18.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.551 -10.523 18.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 9.209 -9.620 19.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.131 -10.509 17.664 1.00 0.00 H new ATOM 1362 N GLY A 84 6.407 -3.832 17.931 1.00 0.00 N ATOM 1363 CA GLY A 84 5.509 -2.951 18.656 1.00 0.00 C ATOM 1364 C GLY A 84 5.183 -1.686 17.884 1.00 0.00 C ATOM 1365 O GLY A 84 4.583 -0.759 18.429 1.00 0.00 O ATOM 0 H GLY A 84 5.946 -4.501 17.314 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.585 -3.484 18.879 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.961 -2.683 19.611 1.00 0.00 H new ATOM 1369 N THR A 85 5.576 -1.643 16.613 1.00 0.00 N ATOM 1370 CA THR A 85 5.320 -0.480 15.773 1.00 0.00 C ATOM 1371 C THR A 85 3.990 -0.618 15.037 1.00 0.00 C ATOM 1372 O THR A 85 3.834 -1.481 14.174 1.00 0.00 O ATOM 1373 CB THR A 85 6.455 -0.298 14.767 1.00 0.00 C ATOM 1374 OG1 THR A 85 7.714 -0.479 15.392 1.00 0.00 O ATOM 1375 CG2 THR A 85 6.461 1.064 14.110 1.00 0.00 C ATOM 0 H THR A 85 6.073 -2.401 16.144 1.00 0.00 H new ATOM 0 HA THR A 85 5.266 0.398 16.417 1.00 0.00 H new ATOM 0 HB THR A 85 6.283 -1.053 13.999 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.222 -1.166 14.911 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.292 1.125 13.408 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.523 1.214 13.576 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.572 1.835 14.872 1.00 0.00 H new ATOM 1383 N HIS A 86 3.037 0.245 15.375 1.00 0.00 N ATOM 1384 CA HIS A 86 1.723 0.225 14.737 1.00 0.00 C ATOM 1385 C HIS A 86 1.649 1.269 13.628 1.00 0.00 C ATOM 1386 O HIS A 86 1.813 2.463 13.875 1.00 0.00 O ATOM 1387 CB HIS A 86 0.599 0.466 15.757 1.00 0.00 C ATOM 1388 CG HIS A 86 1.040 1.154 17.013 1.00 0.00 C ATOM 1389 ND1 HIS A 86 0.753 2.474 17.289 1.00 0.00 N ATOM 1390 CD2 HIS A 86 1.744 0.695 18.075 1.00 0.00 C ATOM 1391 CE1 HIS A 86 1.263 2.797 18.464 1.00 0.00 C ATOM 1392 NE2 HIS A 86 1.869 1.736 18.962 1.00 0.00 N ATOM 0 H HIS A 86 3.149 0.967 16.087 1.00 0.00 H new ATOM 0 HA HIS A 86 1.584 -0.766 14.305 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.181 1.063 15.285 1.00 0.00 H new ATOM 0 HB3 HIS A 86 0.152 -0.493 16.020 1.00 0.00 H new ATOM 0 HD2 HIS A 86 2.135 -0.304 18.201 1.00 0.00 H new ATOM 0 HE1 HIS A 86 1.195 3.766 18.937 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.352 1.696 19.860 1.00 0.00 H new ATOM 1400 N PHE A 87 1.399 0.811 12.406 1.00 0.00 N ATOM 1401 CA PHE A 87 1.304 1.710 11.256 1.00 0.00 C ATOM 1402 C PHE A 87 -0.114 1.731 10.697 1.00 0.00 C ATOM 1403 O PHE A 87 -0.818 0.721 10.721 1.00 0.00 O ATOM 1404 CB PHE A 87 2.296 1.314 10.148 1.00 0.00 C ATOM 1405 CG PHE A 87 3.004 0.010 10.382 1.00 0.00 C ATOM 1406 CD1 PHE A 87 2.290 -1.170 10.502 1.00 0.00 C ATOM 1407 CD2 PHE A 87 4.386 -0.036 10.479 1.00 0.00 C ATOM 1408 CE1 PHE A 87 2.937 -2.369 10.718 1.00 0.00 C ATOM 1409 CE2 PHE A 87 5.039 -1.233 10.694 1.00 0.00 C ATOM 1410 CZ PHE A 87 4.313 -2.402 10.813 1.00 0.00 C ATOM 0 H PHE A 87 1.258 -0.175 12.184 1.00 0.00 H new ATOM 0 HA PHE A 87 1.561 2.710 11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.759 1.257 9.201 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.040 2.104 10.045 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.213 -1.152 10.426 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.958 0.875 10.385 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.367 -3.281 10.813 1.00 0.00 H new ATOM 0 HE2 PHE A 87 6.116 -1.255 10.769 1.00 0.00 H new ATOM 0 HZ PHE A 87 4.821 -3.340 10.980 1.00 0.00 H new ATOM 1420 N ASN A 88 -0.523 2.889 10.189 1.00 0.00 N ATOM 1421 CA ASN A 88 -1.856 3.046 9.618 1.00 0.00 C ATOM 1422 C ASN A 88 -1.781 3.299 8.117 1.00 0.00 C ATOM 1423 O ASN A 88 -0.899 4.012 7.641 1.00 0.00 O ATOM 1424 CB ASN A 88 -2.594 4.199 10.302 1.00 0.00 C ATOM 1425 CG ASN A 88 -2.722 4.004 11.800 1.00 0.00 C ATOM 1426 OD1 ASN A 88 -1.728 3.804 12.500 1.00 0.00 O ATOM 1427 ND2 ASN A 88 -3.950 4.060 12.301 1.00 0.00 N ATOM 0 H ASN A 88 0.050 3.733 10.161 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.405 2.119 9.785 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -2.065 5.131 10.105 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.588 4.298 9.866 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.098 3.935 13.302 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.745 4.228 11.685 1.00 0.00 H new ATOM 1434 N PHE A 89 -2.718 2.718 7.377 1.00 0.00 N ATOM 1435 CA PHE A 89 -2.762 2.889 5.929 1.00 0.00 C ATOM 1436 C PHE A 89 -3.858 3.870 5.532 1.00 0.00 C ATOM 1437 O PHE A 89 -5.021 3.707 5.910 1.00 0.00 O ATOM 1438 CB PHE A 89 -2.990 1.544 5.236 1.00 0.00 C ATOM 1439 CG PHE A 89 -2.039 0.472 5.684 1.00 0.00 C ATOM 1440 CD1 PHE A 89 -2.241 -0.191 6.880 1.00 0.00 C ATOM 1441 CD2 PHE A 89 -0.943 0.128 4.908 1.00 0.00 C ATOM 1442 CE1 PHE A 89 -1.375 -1.177 7.300 1.00 0.00 C ATOM 1443 CE2 PHE A 89 -0.069 -0.860 5.322 1.00 0.00 C ATOM 1444 CZ PHE A 89 -0.285 -1.514 6.520 1.00 0.00 C ATOM 0 H PHE A 89 -3.457 2.125 7.755 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.801 3.293 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.012 1.215 5.426 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.893 1.678 4.159 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.091 0.068 7.495 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.770 0.637 3.971 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.548 -1.686 8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.782 -1.120 4.710 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.396 -2.286 6.846 1.00 0.00 H new ATOM 1454 N ALA A 90 -3.472 4.894 4.775 1.00 0.00 N ATOM 1455 CA ALA A 90 -4.407 5.914 4.326 1.00 0.00 C ATOM 1456 C ALA A 90 -4.025 6.421 2.943 1.00 0.00 C ATOM 1457 O ALA A 90 -2.845 6.483 2.603 1.00 0.00 O ATOM 1458 CB ALA A 90 -4.449 7.075 5.312 1.00 0.00 C ATOM 0 H ALA A 90 -2.512 5.037 4.460 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.398 5.463 4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.154 7.827 4.958 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.766 6.711 6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.457 7.518 5.395 1.00 0.00 H new ATOM 1464 N ILE A 91 -5.025 6.794 2.154 1.00 0.00 N ATOM 1465 CA ILE A 91 -4.780 7.311 0.813 1.00 0.00 C ATOM 1466 C ILE A 91 -4.701 8.829 0.851 1.00 0.00 C ATOM 1467 O ILE A 91 -5.675 9.492 1.204 1.00 0.00 O ATOM 1468 CB ILE A 91 -5.878 6.895 -0.196 1.00 0.00 C ATOM 1469 CG1 ILE A 91 -6.651 5.666 0.295 1.00 0.00 C ATOM 1470 CG2 ILE A 91 -5.262 6.626 -1.563 1.00 0.00 C ATOM 1471 CD1 ILE A 91 -5.785 4.443 0.501 1.00 0.00 C ATOM 0 H ILE A 91 -6.009 6.749 2.418 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.836 6.882 0.478 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.586 7.719 -0.283 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.147 5.911 1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.433 5.429 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.044 6.334 -2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.770 7.529 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.531 5.822 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.402 3.615 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.310 4.171 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.018 4.661 1.244 1.00 0.00 H new ATOM 1483 N VAL A 92 -3.543 9.378 0.501 1.00 0.00 N ATOM 1484 CA VAL A 92 -3.360 10.826 0.512 1.00 0.00 C ATOM 1485 C VAL A 92 -2.668 11.302 -0.764 1.00 0.00 C ATOM 1486 O VAL A 92 -2.061 10.513 -1.483 1.00 0.00 O ATOM 1487 CB VAL A 92 -2.565 11.303 1.760 1.00 0.00 C ATOM 1488 CG1 VAL A 92 -2.700 10.313 2.911 1.00 0.00 C ATOM 1489 CG2 VAL A 92 -1.097 11.539 1.431 1.00 0.00 C ATOM 0 H VAL A 92 -2.722 8.848 0.208 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.355 11.269 0.560 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.997 12.254 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.133 10.674 3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.750 10.215 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.313 9.342 2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.572 11.871 2.327 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.651 10.611 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.016 12.303 0.658 1.00 0.00 H new ATOM 1673 N VAL A 103 -8.761 12.108 0.842 1.00 0.00 N ATOM 1674 CA VAL A 103 -7.641 11.568 1.601 1.00 0.00 C ATOM 1675 C VAL A 103 -8.086 11.117 2.990 1.00 0.00 C ATOM 1676 O VAL A 103 -8.475 11.933 3.825 1.00 0.00 O ATOM 1677 CB VAL A 103 -6.496 12.601 1.726 1.00 0.00 C ATOM 1678 CG1 VAL A 103 -7.042 13.960 2.132 1.00 0.00 C ATOM 1679 CG2 VAL A 103 -5.430 12.132 2.711 1.00 0.00 C ATOM 0 HA VAL A 103 -7.268 10.702 1.054 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.025 12.696 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -6.221 14.672 2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.750 14.308 1.379 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.548 13.876 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.640 12.880 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.879 11.993 3.694 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.008 11.187 2.368 1.00 0.00 H new ATOM 1689 N LYS A 104 -8.028 9.808 3.228 1.00 0.00 N ATOM 1690 CA LYS A 104 -8.428 9.244 4.514 1.00 0.00 C ATOM 1691 C LYS A 104 -7.799 7.868 4.731 1.00 0.00 C ATOM 1692 O LYS A 104 -7.215 7.290 3.815 1.00 0.00 O ATOM 1693 CB LYS A 104 -9.953 9.143 4.598 1.00 0.00 C ATOM 1694 CG LYS A 104 -10.531 9.717 5.883 1.00 0.00 C ATOM 1695 CD LYS A 104 -11.328 10.986 5.624 1.00 0.00 C ATOM 1696 CE LYS A 104 -10.926 12.102 6.577 1.00 0.00 C ATOM 1697 NZ LYS A 104 -11.737 12.086 7.825 1.00 0.00 N ATOM 0 H LYS A 104 -7.708 9.119 2.547 1.00 0.00 H new ATOM 0 HA LYS A 104 -8.071 9.910 5.299 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -10.391 9.665 3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.245 8.096 4.514 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -11.173 8.974 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -9.722 9.931 6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.172 11.311 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -12.392 10.777 5.735 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -9.870 12.001 6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -11.045 13.065 6.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.432 12.862 8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -12.742 12.208 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.604 11.178 8.314 1.00 0.00 H new ATOM 1711 N GLU A 105 -7.927 7.350 5.951 1.00 0.00 N ATOM 1712 CA GLU A 105 -7.375 6.040 6.290 1.00 0.00 C ATOM 1713 C GLU A 105 -8.420 4.945 6.089 1.00 0.00 C ATOM 1714 O GLU A 105 -9.615 5.169 6.284 1.00 0.00 O ATOM 1715 CB GLU A 105 -6.855 6.045 7.733 1.00 0.00 C ATOM 1716 CG GLU A 105 -6.421 4.679 8.250 1.00 0.00 C ATOM 1717 CD GLU A 105 -6.745 4.484 9.718 1.00 0.00 C ATOM 1718 OE1 GLU A 105 -6.166 5.207 10.555 1.00 0.00 O ATOM 1719 OE2 GLU A 105 -7.577 3.607 10.030 1.00 0.00 O ATOM 0 H GLU A 105 -8.407 7.817 6.720 1.00 0.00 H new ATOM 0 HA GLU A 105 -6.539 5.829 5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -6.010 6.730 7.800 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.635 6.436 8.386 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -6.912 3.900 7.666 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -5.348 4.561 8.099 1.00 0.00 H new ATOM 1726 N ILE A 106 -7.958 3.764 5.686 1.00 0.00 N ATOM 1727 CA ILE A 106 -8.850 2.635 5.444 1.00 0.00 C ATOM 1728 C ILE A 106 -8.587 1.481 6.412 1.00 0.00 C ATOM 1729 O ILE A 106 -9.445 0.620 6.608 1.00 0.00 O ATOM 1730 CB ILE A 106 -8.723 2.115 3.998 1.00 0.00 C ATOM 1731 CG1 ILE A 106 -7.253 2.065 3.567 1.00 0.00 C ATOM 1732 CG2 ILE A 106 -9.529 2.990 3.049 1.00 0.00 C ATOM 1733 CD1 ILE A 106 -6.460 0.967 4.242 1.00 0.00 C ATOM 0 H ILE A 106 -6.971 3.565 5.520 1.00 0.00 H new ATOM 0 HA ILE A 106 -9.862 3.007 5.606 1.00 0.00 H new ATOM 0 HB ILE A 106 -9.123 1.102 3.960 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.204 1.925 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.786 3.025 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -9.430 2.611 2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -10.579 2.973 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -9.156 4.013 3.093 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.429 0.993 3.888 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.477 1.117 5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.902 -0.000 4.003 1.00 0.00 H new ATOM 1745 N GLY A 107 -7.402 1.462 7.013 1.00 0.00 N ATOM 1746 CA GLY A 107 -7.065 0.401 7.950 1.00 0.00 C ATOM 1747 C GLY A 107 -5.629 0.486 8.422 1.00 0.00 C ATOM 1748 O GLY A 107 -4.777 1.015 7.714 1.00 0.00 O ATOM 0 H GLY A 107 -6.670 2.158 6.870 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.732 0.454 8.811 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.233 -0.566 7.476 1.00 0.00 H new ATOM 1752 N SER A 108 -5.362 -0.013 9.631 1.00 0.00 N ATOM 1753 CA SER A 108 -4.020 0.030 10.199 1.00 0.00 C ATOM 1754 C SER A 108 -3.586 -1.345 10.705 1.00 0.00 C ATOM 1755 O SER A 108 -4.390 -2.097 11.255 1.00 0.00 O ATOM 1756 CB SER A 108 -3.977 1.039 11.346 1.00 0.00 C ATOM 1757 OG SER A 108 -2.828 0.851 12.153 1.00 0.00 O ATOM 0 H SER A 108 -6.060 -0.451 10.233 1.00 0.00 H new ATOM 0 HA SER A 108 -3.329 0.336 9.413 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.979 2.052 10.943 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.874 0.937 11.957 1.00 0.00 H new ATOM 0 HG SER A 108 -2.050 0.687 11.581 1.00 0.00 H new ATOM 1763 N THR A 109 -2.305 -1.658 10.526 1.00 0.00 N ATOM 1764 CA THR A 109 -1.755 -2.937 10.973 1.00 0.00 C ATOM 1765 C THR A 109 -0.669 -2.716 12.024 1.00 0.00 C ATOM 1766 O THR A 109 -0.500 -1.607 12.528 1.00 0.00 O ATOM 1767 CB THR A 109 -1.190 -3.723 9.787 1.00 0.00 C ATOM 1768 OG1 THR A 109 -0.096 -3.042 9.196 1.00 0.00 O ATOM 1769 CG2 THR A 109 -2.212 -3.981 8.701 1.00 0.00 C ATOM 0 H THR A 109 -1.627 -1.044 10.074 1.00 0.00 H new ATOM 0 HA THR A 109 -2.561 -3.517 11.422 1.00 0.00 H new ATOM 0 HB THR A 109 -0.873 -4.679 10.205 1.00 0.00 H new ATOM 0 HG1 THR A 109 -0.366 -2.684 8.325 1.00 0.00 H new ATOM 0 HG21 THR A 109 -1.747 -4.542 7.890 1.00 0.00 H new ATOM 0 HG22 THR A 109 -3.042 -4.557 9.111 1.00 0.00 H new ATOM 0 HG23 THR A 109 -2.584 -3.031 8.318 1.00 0.00 H new ATOM 1777 N MET A 110 0.060 -3.778 12.356 1.00 0.00 N ATOM 1778 CA MET A 110 1.122 -3.692 13.354 1.00 0.00 C ATOM 1779 C MET A 110 2.340 -4.515 12.941 1.00 0.00 C ATOM 1780 O MET A 110 2.230 -5.448 12.147 1.00 0.00 O ATOM 1781 CB MET A 110 0.609 -4.173 14.709 1.00 0.00 C ATOM 1782 CG MET A 110 -0.092 -3.093 15.519 1.00 0.00 C ATOM 1783 SD MET A 110 0.668 -2.834 17.134 1.00 0.00 S ATOM 1784 CE MET A 110 2.399 -2.779 16.681 1.00 0.00 C ATOM 0 H MET A 110 -0.065 -4.705 11.950 1.00 0.00 H new ATOM 0 HA MET A 110 1.426 -2.648 13.430 1.00 0.00 H new ATOM 0 HB2 MET A 110 -0.081 -5.002 14.552 1.00 0.00 H new ATOM 0 HB3 MET A 110 1.447 -4.561 15.287 1.00 0.00 H new ATOM 0 HG2 MET A 110 -0.077 -2.157 14.960 1.00 0.00 H new ATOM 0 HG3 MET A 110 -1.138 -3.367 15.654 1.00 0.00 H new ATOM 0 HE1 MET A 110 2.908 -3.657 17.080 1.00 0.00 H new ATOM 0 HE2 MET A 110 2.491 -2.769 15.595 1.00 0.00 H new ATOM 0 HE3 MET A 110 2.854 -1.878 17.092 1.00 0.00 H new ATOM 1794 N SER A 111 3.497 -4.161 13.491 1.00 0.00 N ATOM 1795 CA SER A 111 4.738 -4.864 13.187 1.00 0.00 C ATOM 1796 C SER A 111 4.708 -6.285 13.742 1.00 0.00 C ATOM 1797 O SER A 111 4.988 -6.507 14.920 1.00 0.00 O ATOM 1798 CB SER A 111 5.935 -4.109 13.765 1.00 0.00 C ATOM 1799 OG SER A 111 6.257 -2.984 12.965 1.00 0.00 O ATOM 0 H SER A 111 3.601 -3.390 14.151 1.00 0.00 H new ATOM 0 HA SER A 111 4.838 -4.915 12.103 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.710 -3.785 14.781 1.00 0.00 H new ATOM 0 HB3 SER A 111 6.795 -4.775 13.826 1.00 0.00 H new ATOM 0 HG SER A 111 5.445 -2.648 12.532 1.00 0.00 H new ATOM 1805 N GLY A 112 4.369 -7.242 12.886 1.00 0.00 N ATOM 1806 CA GLY A 112 4.310 -8.628 13.311 1.00 0.00 C ATOM 1807 C GLY A 112 3.065 -8.940 14.118 1.00 0.00 C ATOM 1808 O GLY A 112 3.039 -9.902 14.885 1.00 0.00 O ATOM 0 H GLY A 112 4.134 -7.083 11.906 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.341 -9.274 12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.192 -8.859 13.908 1.00 0.00 H new ATOM 1812 N ARG A 113 2.029 -8.124 13.946 1.00 0.00 N ATOM 1813 CA ARG A 113 0.774 -8.319 14.664 1.00 0.00 C ATOM 1814 C ARG A 113 -0.407 -8.297 13.699 1.00 0.00 C ATOM 1815 O ARG A 113 -0.464 -7.468 12.791 1.00 0.00 O ATOM 1816 CB ARG A 113 0.602 -7.240 15.736 1.00 0.00 C ATOM 1817 CG ARG A 113 0.885 -7.733 17.146 1.00 0.00 C ATOM 1818 CD ARG A 113 -0.267 -7.424 18.090 1.00 0.00 C ATOM 1819 NE ARG A 113 -0.004 -7.894 19.448 1.00 0.00 N ATOM 1820 CZ ARG A 113 0.626 -7.177 20.377 1.00 0.00 C ATOM 1821 NH1 ARG A 113 1.067 -5.955 20.102 1.00 0.00 N ATOM 1822 NH2 ARG A 113 0.818 -7.683 21.588 1.00 0.00 N ATOM 0 H ARG A 113 2.034 -7.322 13.316 1.00 0.00 H new ATOM 0 HA ARG A 113 0.804 -9.294 15.149 1.00 0.00 H new ATOM 0 HB2 ARG A 113 1.268 -6.407 15.511 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.417 -6.855 15.692 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.062 -8.808 17.127 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.797 -7.266 17.519 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -0.443 -6.348 18.107 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.178 -7.891 17.715 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.323 -8.829 19.700 1.00 0.00 H new ATOM 0 HH11 ARG A 113 0.924 -5.558 19.173 1.00 0.00 H new ATOM 0 HH12 ARG A 113 1.548 -5.413 20.820 1.00 0.00 H new ATOM 0 HH21 ARG A 113 0.483 -8.621 21.808 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.300 -7.134 22.299 1.00 0.00 H new ATOM 1836 N LYS A 114 -1.345 -9.218 13.897 1.00 0.00 N ATOM 1837 CA LYS A 114 -2.521 -9.308 13.039 1.00 0.00 C ATOM 1838 C LYS A 114 -3.640 -8.401 13.540 1.00 0.00 C ATOM 1839 O LYS A 114 -4.348 -8.737 14.490 1.00 0.00 O ATOM 1840 CB LYS A 114 -3.015 -10.753 12.969 1.00 0.00 C ATOM 1841 CG LYS A 114 -2.350 -11.570 11.873 1.00 0.00 C ATOM 1842 CD LYS A 114 -2.972 -12.952 11.754 1.00 0.00 C ATOM 1843 CE LYS A 114 -4.078 -12.978 10.710 1.00 0.00 C ATOM 1844 NZ LYS A 114 -4.576 -14.358 10.463 1.00 0.00 N ATOM 0 H LYS A 114 -1.314 -9.912 14.644 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.234 -8.977 12.041 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -2.837 -11.236 13.930 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.093 -10.752 12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.440 -11.046 10.921 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.285 -11.666 12.084 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -2.202 -13.677 11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.375 -13.255 12.720 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.904 -12.348 11.040 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.707 -12.554 9.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -5.329 -14.332 9.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.794 -14.954 10.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -4.954 -14.754 11.347 1.00 0.00 H new ATOM 1858 N GLY A 115 -3.801 -7.253 12.888 1.00 0.00 N ATOM 1859 CA GLY A 115 -4.842 -6.321 13.278 1.00 0.00 C ATOM 1860 C GLY A 115 -6.211 -6.768 12.812 1.00 0.00 C ATOM 1861 O GLY A 115 -6.397 -7.923 12.425 1.00 0.00 O ATOM 0 H GLY A 115 -3.230 -6.953 12.098 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.846 -6.216 14.363 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -4.622 -5.338 12.863 1.00 0.00 H new ATOM 1865 N THR A 116 -7.181 -5.852 12.822 1.00 0.00 N ATOM 1866 CA THR A 116 -8.530 -6.166 12.382 1.00 0.00 C ATOM 1867 C THR A 116 -8.674 -5.966 10.875 1.00 0.00 C ATOM 1868 O THR A 116 -9.500 -6.611 10.227 1.00 0.00 O ATOM 1869 CB THR A 116 -9.545 -5.290 13.121 1.00 0.00 C ATOM 1870 OG1 THR A 116 -9.090 -3.951 13.199 1.00 0.00 O ATOM 1871 CG2 THR A 116 -9.830 -5.762 14.529 1.00 0.00 C ATOM 0 H THR A 116 -7.052 -4.889 13.131 1.00 0.00 H new ATOM 0 HA THR A 116 -8.725 -7.214 12.612 1.00 0.00 H new ATOM 0 HB THR A 116 -10.464 -5.361 12.539 1.00 0.00 H new ATOM 0 HG1 THR A 116 -9.753 -3.407 13.673 1.00 0.00 H new ATOM 0 HG21 THR A 116 -10.557 -5.097 14.996 1.00 0.00 H new ATOM 0 HG22 THR A 116 -10.232 -6.775 14.499 1.00 0.00 H new ATOM 0 HG23 THR A 116 -8.907 -5.755 15.109 1.00 0.00 H new ATOM 1879 N ASP A 117 -7.870 -5.061 10.324 1.00 0.00 N ATOM 1880 CA ASP A 117 -7.905 -4.768 8.895 1.00 0.00 C ATOM 1881 C ASP A 117 -6.876 -5.597 8.131 1.00 0.00 C ATOM 1882 O ASP A 117 -6.892 -5.640 6.901 1.00 0.00 O ATOM 1883 CB ASP A 117 -7.650 -3.280 8.658 1.00 0.00 C ATOM 1884 CG ASP A 117 -8.770 -2.408 9.191 1.00 0.00 C ATOM 1885 OD1 ASP A 117 -9.942 -2.675 8.850 1.00 0.00 O ATOM 1886 OD2 ASP A 117 -8.476 -1.460 9.948 1.00 0.00 O ATOM 0 H ASP A 117 -7.184 -4.517 10.848 1.00 0.00 H new ATOM 0 HA ASP A 117 -8.896 -5.031 8.524 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.713 -2.995 9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -7.531 -3.101 7.589 1.00 0.00 H new ATOM 1891 N ASP A 118 -5.980 -6.254 8.863 1.00 0.00 N ATOM 1892 CA ASP A 118 -4.941 -7.078 8.253 1.00 0.00 C ATOM 1893 C ASP A 118 -5.529 -8.055 7.234 1.00 0.00 C ATOM 1894 O ASP A 118 -4.846 -8.475 6.300 1.00 0.00 O ATOM 1895 CB ASP A 118 -4.183 -7.850 9.335 1.00 0.00 C ATOM 1896 CG ASP A 118 -5.077 -8.806 10.101 1.00 0.00 C ATOM 1897 OD1 ASP A 118 -6.314 -8.701 9.965 1.00 0.00 O ATOM 1898 OD2 ASP A 118 -4.541 -9.660 10.837 1.00 0.00 O ATOM 0 H ASP A 118 -5.953 -6.231 9.882 1.00 0.00 H new ATOM 0 HA ASP A 118 -4.253 -6.415 7.728 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -3.369 -8.409 8.875 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -3.731 -7.144 10.031 1.00 0.00 H new ATOM 1903 N SER A 119 -6.795 -8.416 7.422 1.00 0.00 N ATOM 1904 CA SER A 119 -7.466 -9.347 6.518 1.00 0.00 C ATOM 1905 C SER A 119 -8.032 -8.631 5.293 1.00 0.00 C ATOM 1906 O SER A 119 -8.417 -9.270 4.314 1.00 0.00 O ATOM 1907 CB SER A 119 -8.586 -10.084 7.254 1.00 0.00 C ATOM 1908 OG SER A 119 -8.061 -11.098 8.096 1.00 0.00 O ATOM 0 H SER A 119 -7.376 -8.080 8.190 1.00 0.00 H new ATOM 0 HA SER A 119 -6.724 -10.067 6.174 1.00 0.00 H new ATOM 0 HB2 SER A 119 -9.163 -9.375 7.848 1.00 0.00 H new ATOM 0 HB3 SER A 119 -9.272 -10.526 6.531 1.00 0.00 H new ATOM 0 HG SER A 119 -8.796 -11.554 8.557 1.00 0.00 H new ATOM 1914 N MET A 120 -8.079 -7.302 5.347 1.00 0.00 N ATOM 1915 CA MET A 120 -8.594 -6.512 4.235 1.00 0.00 C ATOM 1916 C MET A 120 -7.560 -6.432 3.117 1.00 0.00 C ATOM 1917 O MET A 120 -6.366 -6.587 3.360 1.00 0.00 O ATOM 1918 CB MET A 120 -8.991 -5.106 4.728 1.00 0.00 C ATOM 1919 CG MET A 120 -8.240 -3.956 4.064 1.00 0.00 C ATOM 1920 SD MET A 120 -8.175 -2.476 5.092 1.00 0.00 S ATOM 1921 CE MET A 120 -9.894 -2.305 5.554 1.00 0.00 C ATOM 0 H MET A 120 -7.767 -6.752 6.147 1.00 0.00 H new ATOM 0 HA MET A 120 -9.483 -6.998 3.834 1.00 0.00 H new ATOM 0 HB2 MET A 120 -10.059 -4.967 4.562 1.00 0.00 H new ATOM 0 HB3 MET A 120 -8.827 -5.055 5.804 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.224 -4.277 3.833 1.00 0.00 H new ATOM 0 HG3 MET A 120 -8.721 -3.713 3.116 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.127 -1.251 5.705 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.525 -2.706 4.761 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.079 -2.854 6.478 1.00 0.00 H new ATOM 1931 N THR A 121 -8.024 -6.186 1.895 1.00 0.00 N ATOM 1932 CA THR A 121 -7.129 -6.079 0.749 1.00 0.00 C ATOM 1933 C THR A 121 -7.101 -4.652 0.219 1.00 0.00 C ATOM 1934 O THR A 121 -8.022 -3.874 0.465 1.00 0.00 O ATOM 1935 CB THR A 121 -7.560 -7.046 -0.358 1.00 0.00 C ATOM 1936 OG1 THR A 121 -8.970 -7.174 -0.396 1.00 0.00 O ATOM 1937 CG2 THR A 121 -6.975 -8.433 -0.199 1.00 0.00 C ATOM 0 H THR A 121 -9.011 -6.058 1.674 1.00 0.00 H new ATOM 0 HA THR A 121 -6.124 -6.346 1.075 1.00 0.00 H new ATOM 0 HB THR A 121 -7.181 -6.612 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 121 -9.223 -7.795 -1.111 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.319 -9.069 -1.015 1.00 0.00 H new ATOM 0 HG22 THR A 121 -5.887 -8.373 -0.219 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.297 -8.857 0.752 1.00 0.00 H new ATOM 1945 N LEU A 122 -6.040 -4.304 -0.509 1.00 0.00 N ATOM 1946 CA LEU A 122 -5.911 -2.964 -1.063 1.00 0.00 C ATOM 1947 C LEU A 122 -7.053 -2.665 -2.029 1.00 0.00 C ATOM 1948 O LEU A 122 -7.675 -1.606 -1.961 1.00 0.00 O ATOM 1949 CB LEU A 122 -4.563 -2.813 -1.773 1.00 0.00 C ATOM 1950 CG LEU A 122 -3.515 -2.005 -1.002 1.00 0.00 C ATOM 1951 CD1 LEU A 122 -2.141 -2.178 -1.631 1.00 0.00 C ATOM 1952 CD2 LEU A 122 -3.903 -0.533 -0.958 1.00 0.00 C ATOM 0 H LEU A 122 -5.264 -4.930 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 122 -5.960 -2.248 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -4.160 -3.806 -1.972 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -4.729 -2.337 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.474 -2.380 0.021 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -1.409 -1.597 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -1.861 -3.231 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -2.167 -1.830 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.147 0.026 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.972 -0.144 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.868 -0.426 -0.462 1.00 0.00 H new ATOM 1964 N GLN A 123 -7.307 -3.599 -2.941 1.00 0.00 N ATOM 1965 CA GLN A 123 -8.365 -3.443 -3.939 1.00 0.00 C ATOM 1966 C GLN A 123 -9.659 -2.914 -3.316 1.00 0.00 C ATOM 1967 O GLN A 123 -10.345 -2.080 -3.906 1.00 0.00 O ATOM 1968 CB GLN A 123 -8.632 -4.781 -4.631 1.00 0.00 C ATOM 1969 CG GLN A 123 -8.649 -4.690 -6.148 1.00 0.00 C ATOM 1970 CD GLN A 123 -7.662 -5.636 -6.804 1.00 0.00 C ATOM 1971 OE1 GLN A 123 -7.570 -6.854 -6.280 1.00 0.00 O flip ATOM 1972 NE2 GLN A 123 -6.989 -5.279 -7.771 1.00 0.00 N flip ATOM 0 H GLN A 123 -6.792 -4.477 -3.011 1.00 0.00 H new ATOM 0 HA GLN A 123 -8.024 -2.712 -4.672 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.868 -5.496 -4.327 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -9.590 -5.173 -4.288 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.653 -4.912 -6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.420 -3.668 -6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -7.091 -4.334 -8.142 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -6.330 -5.928 -8.201 1.00 0.00 H new ATOM 1981 N SER A 124 -9.991 -3.408 -2.128 1.00 0.00 N ATOM 1982 CA SER A 124 -11.206 -2.988 -1.436 1.00 0.00 C ATOM 1983 C SER A 124 -11.084 -1.561 -0.899 1.00 0.00 C ATOM 1984 O SER A 124 -12.086 -0.926 -0.572 1.00 0.00 O ATOM 1985 CB SER A 124 -11.524 -3.950 -0.288 1.00 0.00 C ATOM 1986 OG SER A 124 -10.358 -4.617 0.157 1.00 0.00 O ATOM 0 H SER A 124 -9.436 -4.100 -1.624 1.00 0.00 H new ATOM 0 HA SER A 124 -12.020 -3.008 -2.161 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.969 -3.398 0.540 1.00 0.00 H new ATOM 0 HB3 SER A 124 -12.262 -4.682 -0.617 1.00 0.00 H new ATOM 0 HG SER A 124 -10.284 -5.483 -0.296 1.00 0.00 H new ATOM 1992 N GLN A 125 -9.853 -1.063 -0.807 1.00 0.00 N ATOM 1993 CA GLN A 125 -9.612 0.288 -0.306 1.00 0.00 C ATOM 1994 C GLN A 125 -9.611 1.311 -1.441 1.00 0.00 C ATOM 1995 O GLN A 125 -9.191 2.453 -1.254 1.00 0.00 O ATOM 1996 CB GLN A 125 -8.282 0.345 0.450 1.00 0.00 C ATOM 1997 CG GLN A 125 -7.991 -0.896 1.284 1.00 0.00 C ATOM 1998 CD GLN A 125 -9.205 -1.388 2.053 1.00 0.00 C ATOM 1999 OE1 GLN A 125 -9.554 -0.844 3.101 1.00 0.00 O ATOM 2000 NE2 GLN A 125 -9.854 -2.424 1.534 1.00 0.00 N ATOM 0 H GLN A 125 -9.010 -1.572 -1.072 1.00 0.00 H new ATOM 0 HA GLN A 125 -10.424 0.539 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -7.474 0.486 -0.267 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.284 1.217 1.104 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.634 -1.692 0.630 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.187 -0.676 1.986 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.530 -2.844 0.663 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -10.676 -2.799 2.006 1.00 0.00 H new ATOM 2009 N LYS A 126 -10.087 0.896 -2.616 1.00 0.00 N ATOM 2010 CA LYS A 126 -10.152 1.769 -3.785 1.00 0.00 C ATOM 2011 C LYS A 126 -8.765 2.102 -4.338 1.00 0.00 C ATOM 2012 O LYS A 126 -8.642 2.893 -5.273 1.00 0.00 O ATOM 2013 CB LYS A 126 -10.905 3.062 -3.453 1.00 0.00 C ATOM 2014 CG LYS A 126 -12.403 2.868 -3.276 1.00 0.00 C ATOM 2015 CD LYS A 126 -12.745 2.408 -1.866 1.00 0.00 C ATOM 2016 CE LYS A 126 -12.634 3.545 -0.862 1.00 0.00 C ATOM 2017 NZ LYS A 126 -13.967 3.956 -0.340 1.00 0.00 N ATOM 0 H LYS A 126 -10.436 -0.048 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 126 -10.694 1.223 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -10.492 3.488 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -10.733 3.787 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -12.920 3.804 -3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -12.763 2.134 -3.996 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -13.758 2.006 -1.850 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -12.076 1.598 -1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -11.999 3.236 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -12.149 4.400 -1.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -13.849 4.733 0.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -14.565 4.275 -1.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -14.419 3.147 0.132 1.00 0.00 H new ATOM 2031 N PHE A 127 -7.720 1.498 -3.770 1.00 0.00 N ATOM 2032 CA PHE A 127 -6.361 1.747 -4.234 1.00 0.00 C ATOM 2033 C PHE A 127 -6.179 1.244 -5.663 1.00 0.00 C ATOM 2034 O PHE A 127 -6.598 0.136 -5.998 1.00 0.00 O ATOM 2035 CB PHE A 127 -5.349 1.067 -3.307 1.00 0.00 C ATOM 2036 CG PHE A 127 -3.920 1.307 -3.700 1.00 0.00 C ATOM 2037 CD1 PHE A 127 -3.384 2.584 -3.666 1.00 0.00 C ATOM 2038 CD2 PHE A 127 -3.114 0.257 -4.106 1.00 0.00 C ATOM 2039 CE1 PHE A 127 -2.068 2.808 -4.028 1.00 0.00 C ATOM 2040 CE2 PHE A 127 -1.799 0.474 -4.470 1.00 0.00 C ATOM 2041 CZ PHE A 127 -1.275 1.751 -4.431 1.00 0.00 C ATOM 0 H PHE A 127 -7.791 0.839 -2.995 1.00 0.00 H new ATOM 0 HA PHE A 127 -6.187 2.823 -4.219 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -5.503 1.426 -2.289 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -5.540 -0.006 -3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -4.001 3.414 -3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 127 -3.518 -0.744 -4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -1.661 3.808 -3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -1.182 -0.354 -4.785 1.00 0.00 H new ATOM 0 HZ PHE A 127 -0.247 1.923 -4.715 1.00 0.00 H new ATOM 2051 N GLN A 128 -5.558 2.065 -6.505 1.00 0.00 N ATOM 2052 CA GLN A 128 -5.329 1.700 -7.900 1.00 0.00 C ATOM 2053 C GLN A 128 -3.838 1.701 -8.230 1.00 0.00 C ATOM 2054 O GLN A 128 -3.001 1.981 -7.373 1.00 0.00 O ATOM 2055 CB GLN A 128 -6.069 2.666 -8.828 1.00 0.00 C ATOM 2056 CG GLN A 128 -7.554 2.779 -8.528 1.00 0.00 C ATOM 2057 CD GLN A 128 -8.403 1.951 -9.472 1.00 0.00 C ATOM 2058 OE1 GLN A 128 -8.091 1.821 -10.655 1.00 0.00 O ATOM 2059 NE2 GLN A 128 -9.488 1.387 -8.952 1.00 0.00 N ATOM 0 H GLN A 128 -5.205 2.986 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 128 -5.713 0.691 -8.052 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.614 3.653 -8.748 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -5.939 2.338 -9.859 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -7.739 2.459 -7.503 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.856 3.824 -8.595 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -9.709 1.521 -7.965 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -10.099 0.820 -9.539 1.00 0.00 H new ATOM 2068 N ILE A 129 -3.517 1.383 -9.481 1.00 0.00 N ATOM 2069 CA ILE A 129 -2.129 1.345 -9.928 1.00 0.00 C ATOM 2070 C ILE A 129 -1.545 2.751 -10.017 1.00 0.00 C ATOM 2071 O ILE A 129 -2.034 3.591 -10.772 1.00 0.00 O ATOM 2072 CB ILE A 129 -1.996 0.661 -11.304 1.00 0.00 C ATOM 2073 CG1 ILE A 129 -2.716 -0.691 -11.300 1.00 0.00 C ATOM 2074 CG2 ILE A 129 -0.529 0.494 -11.675 1.00 0.00 C ATOM 2075 CD1 ILE A 129 -1.958 -1.787 -10.582 1.00 0.00 C ATOM 0 H ILE A 129 -4.199 1.148 -10.202 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.575 0.766 -9.189 1.00 0.00 H new ATOM 0 HB ILE A 129 -2.466 1.295 -12.056 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.692 -0.570 -10.831 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -2.894 -1.000 -12.330 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -0.453 0.010 -12.649 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -0.051 1.473 -11.718 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -0.032 -0.120 -10.924 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -2.532 -2.713 -10.622 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -0.992 -1.937 -11.064 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -1.803 -1.501 -9.542 1.00 0.00 H new ATOM 2087 N GLY A 130 -0.497 3.001 -9.240 1.00 0.00 N ATOM 2088 CA GLY A 130 0.136 4.306 -9.248 1.00 0.00 C ATOM 2089 C GLY A 130 -0.436 5.245 -8.201 1.00 0.00 C ATOM 2090 O GLY A 130 0.072 6.351 -8.012 1.00 0.00 O ATOM 0 H GLY A 130 -0.075 2.323 -8.605 1.00 0.00 H new ATOM 0 HA2 GLY A 130 1.206 4.187 -9.076 1.00 0.00 H new ATOM 0 HA3 GLY A 130 0.019 4.755 -10.234 1.00 0.00 H new ATOM 2094 N ASP A 131 -1.490 4.808 -7.515 1.00 0.00 N ATOM 2095 CA ASP A 131 -2.118 5.626 -6.485 1.00 0.00 C ATOM 2096 C ASP A 131 -1.110 6.009 -5.406 1.00 0.00 C ATOM 2097 O ASP A 131 -0.077 5.358 -5.248 1.00 0.00 O ATOM 2098 CB ASP A 131 -3.305 4.886 -5.861 1.00 0.00 C ATOM 2099 CG ASP A 131 -4.635 5.529 -6.203 1.00 0.00 C ATOM 2100 OD1 ASP A 131 -4.961 5.618 -7.406 1.00 0.00 O ATOM 2101 OD2 ASP A 131 -5.350 5.946 -5.268 1.00 0.00 O ATOM 0 H ASP A 131 -1.924 3.896 -7.654 1.00 0.00 H new ATOM 0 HA ASP A 131 -2.483 6.539 -6.955 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -3.306 3.852 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -3.185 4.861 -4.778 1.00 0.00 H new ATOM 2106 N TYR A 132 -1.421 7.068 -4.669 1.00 0.00 N ATOM 2107 CA TYR A 132 -0.543 7.545 -3.607 1.00 0.00 C ATOM 2108 C TYR A 132 -1.017 7.073 -2.236 1.00 0.00 C ATOM 2109 O TYR A 132 -2.023 7.558 -1.710 1.00 0.00 O ATOM 2110 CB TYR A 132 -0.466 9.072 -3.634 1.00 0.00 C ATOM 2111 CG TYR A 132 -0.288 9.646 -5.019 1.00 0.00 C ATOM 2112 CD1 TYR A 132 -1.363 9.738 -5.893 1.00 0.00 C ATOM 2113 CD2 TYR A 132 0.954 10.094 -5.453 1.00 0.00 C ATOM 2114 CE1 TYR A 132 -1.205 10.262 -7.163 1.00 0.00 C ATOM 2115 CE2 TYR A 132 1.119 10.619 -6.721 1.00 0.00 C ATOM 2116 CZ TYR A 132 0.036 10.700 -7.572 1.00 0.00 C ATOM 2117 OH TYR A 132 0.196 11.224 -8.834 1.00 0.00 O ATOM 0 H TYR A 132 -2.275 7.613 -4.787 1.00 0.00 H new ATOM 0 HA TYR A 132 0.449 7.129 -3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.376 9.481 -3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.364 9.396 -3.006 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -2.337 9.395 -5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 132 1.804 10.031 -4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.051 10.328 -7.832 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.090 10.964 -7.044 1.00 0.00 H new ATOM 0 HH TYR A 132 1.131 11.486 -8.963 1.00 0.00 H new ATOM 2127 N LEU A 133 -0.277 6.133 -1.653 1.00 0.00 N ATOM 2128 CA LEU A 133 -0.612 5.603 -0.337 1.00 0.00 C ATOM 2129 C LEU A 133 0.285 6.225 0.730 1.00 0.00 C ATOM 2130 O LEU A 133 1.510 6.150 0.634 1.00 0.00 O ATOM 2131 CB LEU A 133 -0.447 4.079 -0.311 1.00 0.00 C ATOM 2132 CG LEU A 133 -1.721 3.253 -0.524 1.00 0.00 C ATOM 2133 CD1 LEU A 133 -1.492 1.821 -0.063 1.00 0.00 C ATOM 2134 CD2 LEU A 133 -2.904 3.859 0.218 1.00 0.00 C ATOM 0 H LEU A 133 0.558 5.724 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 133 -1.652 5.854 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 133 0.274 3.800 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -0.014 3.798 0.649 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.955 3.258 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -2.401 1.239 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -0.677 1.380 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.234 1.817 0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -3.792 3.250 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -2.686 3.891 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.082 4.871 -0.146 1.00 0.00 H new ATOM 2146 N ASP A 134 -0.323 6.830 1.757 1.00 0.00 N ATOM 2147 CA ASP A 134 0.437 7.444 2.829 1.00 0.00 C ATOM 2148 C ASP A 134 0.267 6.653 4.121 1.00 0.00 C ATOM 2149 O ASP A 134 -0.801 6.677 4.739 1.00 0.00 O ATOM 2150 CB ASP A 134 -0.022 8.887 3.044 1.00 0.00 C ATOM 2151 CG ASP A 134 1.096 9.786 3.540 1.00 0.00 C ATOM 2152 OD1 ASP A 134 1.575 9.569 4.675 1.00 0.00 O ATOM 2153 OD2 ASP A 134 1.495 10.704 2.795 1.00 0.00 O ATOM 0 H ASP A 134 -1.335 6.903 1.860 1.00 0.00 H new ATOM 0 HA ASP A 134 1.490 7.443 2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -0.414 9.283 2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -0.841 8.901 3.763 1.00 0.00 H new ATOM 2158 N ILE A 135 1.319 5.955 4.528 1.00 0.00 N ATOM 2159 CA ILE A 135 1.276 5.165 5.749 1.00 0.00 C ATOM 2160 C ILE A 135 1.787 5.961 6.947 1.00 0.00 C ATOM 2161 O ILE A 135 2.706 6.769 6.828 1.00 0.00 O ATOM 2162 CB ILE A 135 2.104 3.868 5.609 1.00 0.00 C ATOM 2163 CG1 ILE A 135 1.524 2.986 4.499 1.00 0.00 C ATOM 2164 CG2 ILE A 135 2.150 3.108 6.929 1.00 0.00 C ATOM 2165 CD1 ILE A 135 2.524 2.644 3.416 1.00 0.00 C ATOM 0 H ILE A 135 2.209 5.920 4.032 1.00 0.00 H new ATOM 0 HA ILE A 135 0.231 4.904 5.917 1.00 0.00 H new ATOM 0 HB ILE A 135 3.125 4.139 5.341 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.147 2.063 4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.672 3.496 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 135 2.738 2.199 6.805 1.00 0.00 H new ATOM 0 HG22 ILE A 135 2.608 3.735 7.694 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.137 2.846 7.233 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.045 2.018 2.663 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.883 3.561 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 135 3.365 2.106 3.854 1.00 0.00 H new ATOM 2177 N ALA A 136 1.184 5.711 8.102 1.00 0.00 N ATOM 2178 CA ALA A 136 1.568 6.384 9.335 1.00 0.00 C ATOM 2179 C ALA A 136 2.137 5.374 10.323 1.00 0.00 C ATOM 2180 O ALA A 136 1.388 4.672 10.998 1.00 0.00 O ATOM 2181 CB ALA A 136 0.371 7.104 9.937 1.00 0.00 C ATOM 0 H ALA A 136 0.422 5.042 8.210 1.00 0.00 H new ATOM 0 HA ALA A 136 2.336 7.124 9.111 1.00 0.00 H new ATOM 0 HB1 ALA A 136 0.672 7.603 10.858 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -0.002 7.844 9.229 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -0.416 6.382 10.156 1.00 0.00 H new ATOM 2187 N ILE A 137 3.462 5.295 10.395 1.00 0.00 N ATOM 2188 CA ILE A 137 4.119 4.357 11.296 1.00 0.00 C ATOM 2189 C ILE A 137 4.309 4.954 12.685 1.00 0.00 C ATOM 2190 O ILE A 137 4.905 6.020 12.839 1.00 0.00 O ATOM 2191 CB ILE A 137 5.490 3.915 10.745 1.00 0.00 C ATOM 2192 CG1 ILE A 137 5.370 3.505 9.276 1.00 0.00 C ATOM 2193 CG2 ILE A 137 6.050 2.771 11.573 1.00 0.00 C ATOM 2194 CD1 ILE A 137 6.688 3.535 8.533 1.00 0.00 C ATOM 0 H ILE A 137 4.099 5.868 9.842 1.00 0.00 H new ATOM 0 HA ILE A 137 3.466 3.488 11.370 1.00 0.00 H new ATOM 0 HB ILE A 137 6.177 4.758 10.812 1.00 0.00 H new ATOM 0 HG12 ILE A 137 4.953 2.499 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 137 4.665 4.170 8.777 1.00 0.00 H new ATOM 0 HG21 ILE A 137 7.018 2.471 11.171 1.00 0.00 H new ATOM 0 HG22 ILE A 137 6.171 3.095 12.607 1.00 0.00 H new ATOM 0 HG23 ILE A 137 5.364 1.925 11.536 1.00 0.00 H new ATOM 0 HD11 ILE A 137 6.529 3.233 7.498 1.00 0.00 H new ATOM 0 HD12 ILE A 137 7.097 4.545 8.558 1.00 0.00 H new ATOM 0 HD13 ILE A 137 7.389 2.848 9.008 1.00 0.00 H new ATOM 2206 N THR A 138 3.795 4.259 13.694 1.00 0.00 N ATOM 2207 CA THR A 138 3.900 4.714 15.074 1.00 0.00 C ATOM 2208 C THR A 138 4.850 3.822 15.874 1.00 0.00 C ATOM 2209 O THR A 138 4.508 2.688 16.211 1.00 0.00 O ATOM 2210 CB THR A 138 2.520 4.719 15.734 1.00 0.00 C ATOM 2211 OG1 THR A 138 1.528 5.153 14.823 1.00 0.00 O ATOM 2212 CG2 THR A 138 2.445 5.607 16.956 1.00 0.00 C ATOM 0 H THR A 138 3.300 3.375 13.580 1.00 0.00 H new ATOM 0 HA THR A 138 4.301 5.728 15.066 1.00 0.00 H new ATOM 0 HB THR A 138 2.345 3.689 16.043 1.00 0.00 H new ATOM 0 HG1 THR A 138 1.298 4.419 14.216 1.00 0.00 H new ATOM 0 HG21 THR A 138 1.440 5.565 17.375 1.00 0.00 H new ATOM 0 HG22 THR A 138 3.163 5.263 17.700 1.00 0.00 H new ATOM 0 HG23 THR A 138 2.678 6.634 16.674 1.00 0.00 H new ATOM 2220 N PRO A 139 6.057 4.322 16.195 1.00 0.00 N ATOM 2221 CA PRO A 139 7.046 3.558 16.961 1.00 0.00 C ATOM 2222 C PRO A 139 6.613 3.346 18.411 1.00 0.00 C ATOM 2223 O PRO A 139 5.841 4.133 18.957 1.00 0.00 O ATOM 2224 CB PRO A 139 8.300 4.429 16.899 1.00 0.00 C ATOM 2225 CG PRO A 139 7.794 5.811 16.672 1.00 0.00 C ATOM 2226 CD PRO A 139 6.552 5.666 15.839 1.00 0.00 C ATOM 0 HA PRO A 139 7.190 2.557 16.555 1.00 0.00 H new ATOM 0 HB2 PRO A 139 8.872 4.365 17.824 1.00 0.00 H new ATOM 0 HB3 PRO A 139 8.962 4.113 16.093 1.00 0.00 H new ATOM 0 HG2 PRO A 139 7.574 6.306 17.618 1.00 0.00 H new ATOM 0 HG3 PRO A 139 8.539 6.420 16.159 1.00 0.00 H new ATOM 0 HD2 PRO A 139 5.819 6.439 16.072 1.00 0.00 H new ATOM 0 HD3 PRO A 139 6.771 5.745 14.774 1.00 0.00 H new ATOM 2234 N PRO A 140 7.102 2.271 19.055 1.00 0.00 N ATOM 2235 CA PRO A 140 6.754 1.957 20.441 1.00 0.00 C ATOM 2236 C PRO A 140 7.507 2.813 21.450 1.00 0.00 C ATOM 2237 O PRO A 140 6.921 3.340 22.396 1.00 0.00 O ATOM 2238 CB PRO A 140 7.155 0.491 20.575 1.00 0.00 C ATOM 2239 CG PRO A 140 8.282 0.317 19.616 1.00 0.00 C ATOM 2240 CD PRO A 140 8.022 1.271 18.477 1.00 0.00 C ATOM 0 HA PRO A 140 5.702 2.151 20.649 1.00 0.00 H new ATOM 0 HB2 PRO A 140 7.463 0.256 21.594 1.00 0.00 H new ATOM 0 HB3 PRO A 140 6.323 -0.171 20.333 1.00 0.00 H new ATOM 0 HG2 PRO A 140 9.237 0.535 20.095 1.00 0.00 H new ATOM 0 HG3 PRO A 140 8.332 -0.711 19.258 1.00 0.00 H new ATOM 0 HD2 PRO A 140 8.944 1.733 18.124 1.00 0.00 H new ATOM 0 HD3 PRO A 140 7.574 0.762 17.624 1.00 0.00 H new