USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 135 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 117 THR OG1 : rot 133:sc= -1.84! USER MOD Set 2.2: A 118 GLN :FLIP amide:sc= -2.36! C(o=-11!,f=-4.2!) USER MOD Set 3.1: A 102 HIS : no HD1:sc= -3.64 K(o=-3.6,f=-6!) USER MOD Set 3.2: A 107 GLN : amide:sc= 0 K(o=-3.6,f=-4.6) USER MOD Set 4.1: A 88 SER OG : rot -89:sc= 0.605 USER MOD Set 4.2: A 89 HIS : no HE2:sc= -2.07 K(o=-1.5,f=-6!) USER MOD Set 5.1: A 80 THR OG1 : rot -90:sc= -0.141 USER MOD Set 5.2: A 120 TYR OH : rot 180:sc= 0.548 USER MOD Single : A 79 MET CE :methyl -170:sc= 0 (180deg=-0.0262) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 142:sc= -0.606 (180deg=-1.28!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= -0.457 USER MOD Single : A 104 GLN : amide:sc= -0.385 X(o=-0.39,f=-0.23) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.0519 X(o=-0.052,f=0) USER MOD Single : A 125 GLN : amide:sc= -3.61! C(o=-3.6!,f=-4.2!) USER MOD Single : A 126 ASN : amide:sc= -2.69! C(o=-2.7!,f=-2.9!) USER MOD Single : A 127 TYR OH : rot 180:sc= -0.221 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -125:sc= 1.36 USER MOD Single : A 142 CYS SG : rot 49:sc= -0.499 USER MOD Single : A 143 TYR OH : rot 180:sc=-0.00466 USER MOD Single : A 144 LYS NZ :NH3+ 156:sc= -5.24! (180deg=-5.7!) USER MOD Single : A 187 SER OG : rot 170:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -0.0414 X(o=-0.041,f=-0.26) USER MOD Single : A 193 HIS : no HD1:sc= -2.69! C(o=-2.7!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.479 -2.496 -9.808 1.00 1.04 N ATOM 275 CA VAL A 74 19.656 -3.383 -9.559 1.00 0.93 C ATOM 276 C VAL A 74 19.190 -4.836 -9.763 1.00 0.86 C ATOM 277 O VAL A 74 18.009 -5.106 -9.674 1.00 0.89 O ATOM 278 CB VAL A 74 20.149 -3.152 -8.111 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.073 -1.656 -7.776 1.00 1.17 C ATOM 280 CG2 VAL A 74 19.280 -3.938 -7.116 1.00 1.38 C ATOM 0 HA VAL A 74 20.480 -3.168 -10.239 1.00 0.93 H new ATOM 0 HB VAL A 74 21.179 -3.499 -8.033 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.420 -1.494 -6.756 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.703 -1.096 -8.467 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.042 -1.315 -7.867 1.00 1.17 H new ATOM 0 HG21 VAL A 74 19.640 -3.764 -6.102 1.00 1.38 H new ATOM 0 HG22 VAL A 74 18.245 -3.605 -7.195 1.00 1.38 H new ATOM 0 HG23 VAL A 74 19.338 -5.002 -7.344 1.00 1.38 H new ATOM 290 N PRO A 75 20.082 -5.768 -10.036 1.00 0.93 N ATOM 291 CA PRO A 75 19.699 -7.193 -10.246 1.00 1.00 C ATOM 292 C PRO A 75 18.527 -7.606 -9.352 1.00 0.88 C ATOM 293 O PRO A 75 18.530 -7.374 -8.159 1.00 0.84 O ATOM 294 CB PRO A 75 20.978 -7.937 -9.882 1.00 1.18 C ATOM 295 CG PRO A 75 22.073 -7.026 -10.349 1.00 1.37 C ATOM 296 CD PRO A 75 21.541 -5.587 -10.180 1.00 1.13 C ATOM 0 HA PRO A 75 19.352 -7.401 -11.258 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.042 -8.120 -8.809 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.029 -8.908 -10.375 1.00 1.18 H new ATOM 0 HG2 PRO A 75 22.980 -7.176 -9.764 1.00 1.37 H new ATOM 0 HG3 PRO A 75 22.328 -7.226 -11.390 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.972 -5.101 -9.305 1.00 1.13 H new ATOM 0 HD3 PRO A 75 21.784 -4.966 -11.042 1.00 1.13 H new ATOM 304 N LEU A 76 17.512 -8.184 -9.929 1.00 0.86 N ATOM 305 CA LEU A 76 16.321 -8.577 -9.121 1.00 0.77 C ATOM 306 C LEU A 76 16.710 -9.633 -8.085 1.00 0.77 C ATOM 307 O LEU A 76 16.775 -10.811 -8.377 1.00 0.85 O ATOM 308 CB LEU A 76 15.238 -9.149 -10.041 1.00 0.84 C ATOM 309 CG LEU A 76 14.786 -8.086 -11.054 1.00 0.87 C ATOM 310 CD1 LEU A 76 13.851 -8.740 -12.078 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.045 -6.938 -10.335 1.00 0.76 C ATOM 0 H LEU A 76 17.454 -8.402 -10.924 1.00 0.86 H new ATOM 0 HA LEU A 76 15.940 -7.694 -8.608 1.00 0.77 H new ATOM 0 HB2 LEU A 76 15.622 -10.023 -10.567 1.00 0.84 H new ATOM 0 HB3 LEU A 76 14.386 -9.482 -9.448 1.00 0.84 H new ATOM 0 HG LEU A 76 15.661 -7.674 -11.557 1.00 0.87 H new ATOM 0 HD11 LEU A 76 13.525 -7.993 -12.802 1.00 1.01 H new ATOM 0 HD12 LEU A 76 14.381 -9.540 -12.596 1.00 1.01 H new ATOM 0 HD13 LEU A 76 12.982 -9.153 -11.566 1.00 1.01 H new ATOM 0 HD21 LEU A 76 13.731 -6.193 -11.066 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.169 -7.335 -9.823 1.00 0.76 H new ATOM 0 HD23 LEU A 76 14.711 -6.474 -9.608 1.00 0.76 H new ATOM 323 N ARG A 77 16.950 -9.221 -6.869 1.00 0.74 N ATOM 324 CA ARG A 77 17.312 -10.198 -5.803 1.00 0.79 C ATOM 325 C ARG A 77 16.019 -10.804 -5.231 1.00 0.71 C ATOM 326 O ARG A 77 14.986 -10.165 -5.245 1.00 0.73 O ATOM 327 CB ARG A 77 18.067 -9.468 -4.685 1.00 0.85 C ATOM 328 CG ARG A 77 17.384 -8.122 -4.398 1.00 1.19 C ATOM 329 CD ARG A 77 17.767 -7.630 -2.999 1.00 1.52 C ATOM 330 NE ARG A 77 19.235 -7.771 -2.799 1.00 2.13 N ATOM 331 CZ ARG A 77 19.822 -7.136 -1.821 1.00 2.66 C ATOM 332 NH1 ARG A 77 19.123 -6.369 -1.031 1.00 2.73 N ATOM 333 NH2 ARG A 77 21.107 -7.267 -1.636 1.00 3.61 N ATOM 0 H ARG A 77 16.911 -8.247 -6.568 1.00 0.74 H new ATOM 0 HA ARG A 77 17.943 -10.985 -6.215 1.00 0.79 H new ATOM 0 HB2 ARG A 77 18.082 -10.080 -3.783 1.00 0.85 H new ATOM 0 HB3 ARG A 77 19.104 -9.306 -4.978 1.00 0.85 H new ATOM 0 HG2 ARG A 77 17.682 -7.387 -5.146 1.00 1.19 H new ATOM 0 HG3 ARG A 77 16.302 -8.231 -4.471 1.00 1.19 H new ATOM 0 HD2 ARG A 77 17.473 -6.588 -2.877 1.00 1.52 H new ATOM 0 HD3 ARG A 77 17.231 -8.203 -2.243 1.00 1.52 H new ATOM 0 HE ARG A 77 19.781 -8.363 -3.425 1.00 2.13 H new ATOM 0 HH11 ARG A 77 18.119 -6.266 -1.178 1.00 2.73 H new ATOM 0 HH12 ARG A 77 19.580 -5.872 -0.266 1.00 2.73 H new ATOM 0 HH21 ARG A 77 21.653 -7.866 -2.256 1.00 3.61 H new ATOM 0 HH22 ARG A 77 21.565 -6.771 -0.872 1.00 3.61 H new ATOM 347 N PRO A 78 16.063 -12.012 -4.714 1.00 0.79 N ATOM 348 CA PRO A 78 14.856 -12.656 -4.123 1.00 0.76 C ATOM 349 C PRO A 78 14.046 -11.659 -3.284 1.00 0.67 C ATOM 350 O PRO A 78 14.600 -10.889 -2.528 1.00 0.69 O ATOM 351 CB PRO A 78 15.445 -13.761 -3.238 1.00 0.86 C ATOM 352 CG PRO A 78 16.730 -14.147 -3.907 1.00 1.18 C ATOM 353 CD PRO A 78 17.244 -12.892 -4.636 1.00 1.06 C ATOM 0 HA PRO A 78 14.165 -13.031 -4.878 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.620 -13.403 -2.223 1.00 0.86 H new ATOM 0 HB3 PRO A 78 14.767 -14.611 -3.164 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.458 -14.495 -3.174 1.00 1.18 H new ATOM 0 HG3 PRO A 78 16.570 -14.965 -4.610 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.059 -12.418 -4.088 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.626 -13.135 -5.627 1.00 1.06 H new ATOM 361 N MET A 79 12.745 -11.657 -3.409 1.00 0.65 N ATOM 362 CA MET A 79 11.932 -10.692 -2.615 1.00 0.61 C ATOM 363 C MET A 79 12.144 -10.965 -1.123 1.00 0.51 C ATOM 364 O MET A 79 12.027 -12.082 -0.657 1.00 0.56 O ATOM 365 CB MET A 79 10.448 -10.844 -2.983 1.00 0.66 C ATOM 366 CG MET A 79 9.568 -10.026 -2.027 1.00 0.74 C ATOM 367 SD MET A 79 10.147 -8.312 -1.965 1.00 1.25 S ATOM 368 CE MET A 79 8.852 -7.675 -0.873 1.00 0.83 C ATOM 0 H MET A 79 12.214 -12.277 -4.021 1.00 0.65 H new ATOM 0 HA MET A 79 12.243 -9.672 -2.838 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.286 -10.512 -4.009 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.163 -11.895 -2.939 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.530 -10.056 -2.359 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.596 -10.464 -1.029 1.00 0.74 H new ATOM 0 HE1 MET A 79 8.908 -6.587 -0.838 1.00 0.83 H new ATOM 0 HE2 MET A 79 7.875 -7.976 -1.253 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.991 -8.078 0.130 1.00 0.83 H new ATOM 378 N THR A 80 12.471 -9.945 -0.376 1.00 0.56 N ATOM 379 CA THR A 80 12.718 -10.110 1.085 1.00 0.60 C ATOM 380 C THR A 80 11.420 -9.942 1.871 1.00 0.56 C ATOM 381 O THR A 80 11.054 -8.856 2.267 1.00 0.50 O ATOM 382 CB THR A 80 13.753 -9.065 1.517 1.00 0.77 C ATOM 383 OG1 THR A 80 13.508 -7.856 0.817 1.00 0.94 O ATOM 384 CG2 THR A 80 15.165 -9.560 1.188 1.00 0.73 C ATOM 0 H THR A 80 12.579 -8.991 -0.721 1.00 0.56 H new ATOM 0 HA THR A 80 13.096 -11.112 1.288 1.00 0.60 H new ATOM 0 HB THR A 80 13.673 -8.900 2.591 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.018 -7.854 -0.020 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.894 -8.812 1.498 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.356 -10.494 1.717 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.251 -9.727 0.114 1.00 0.73 H new ATOM 392 N TYR A 81 10.737 -11.027 2.132 1.00 0.61 N ATOM 393 CA TYR A 81 9.485 -10.940 2.933 1.00 0.60 C ATOM 394 C TYR A 81 9.831 -10.156 4.202 1.00 0.51 C ATOM 395 O TYR A 81 9.102 -9.285 4.636 1.00 0.45 O ATOM 396 CB TYR A 81 8.993 -12.378 3.252 1.00 0.69 C ATOM 397 CG TYR A 81 8.544 -12.514 4.696 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.297 -12.017 5.092 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.379 -13.135 5.634 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.885 -12.142 6.425 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.967 -13.260 6.966 1.00 0.77 C ATOM 402 CZ TYR A 81 7.719 -12.762 7.361 1.00 0.73 C ATOM 403 OH TYR A 81 7.313 -12.884 8.674 1.00 0.90 O ATOM 0 H TYR A 81 10.993 -11.965 1.825 1.00 0.61 H new ATOM 0 HA TYR A 81 8.680 -10.433 2.401 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.167 -12.635 2.589 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.795 -13.089 3.052 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.653 -11.537 4.370 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.342 -13.518 5.329 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.922 -11.759 6.730 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.611 -13.740 7.688 1.00 0.77 H new ATOM 0 HH TYR A 81 8.010 -13.340 9.191 1.00 0.90 H new ATOM 413 N LYS A 82 10.967 -10.448 4.772 1.00 0.52 N ATOM 414 CA LYS A 82 11.396 -9.712 5.982 1.00 0.48 C ATOM 415 C LYS A 82 11.419 -8.223 5.651 1.00 0.40 C ATOM 416 O LYS A 82 11.079 -7.394 6.471 1.00 0.38 O ATOM 417 CB LYS A 82 12.797 -10.163 6.397 1.00 0.55 C ATOM 418 CG LYS A 82 13.190 -9.457 7.698 1.00 0.60 C ATOM 419 CD LYS A 82 14.529 -10.007 8.210 1.00 0.92 C ATOM 420 CE LYS A 82 15.690 -9.415 7.401 1.00 1.49 C ATOM 421 NZ LYS A 82 16.977 -9.727 8.085 1.00 2.32 N ATOM 0 H LYS A 82 11.614 -11.167 4.448 1.00 0.52 H new ATOM 0 HA LYS A 82 10.706 -9.910 6.803 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.818 -11.244 6.536 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.515 -9.929 5.611 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.269 -8.383 7.529 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.415 -9.605 8.450 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.651 -9.764 9.265 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.538 -11.094 8.130 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.692 -9.827 6.392 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.568 -8.336 7.305 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 17.766 -9.327 7.539 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.972 -9.314 9.039 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 17.092 -10.758 8.155 1.00 2.32 H new ATOM 435 N ALA A 83 11.816 -7.865 4.452 1.00 0.42 N ATOM 436 CA ALA A 83 11.843 -6.411 4.109 1.00 0.41 C ATOM 437 C ALA A 83 10.415 -5.862 4.102 1.00 0.35 C ATOM 438 O ALA A 83 10.186 -4.710 4.403 1.00 0.34 O ATOM 439 CB ALA A 83 12.473 -6.193 2.734 1.00 0.52 C ATOM 0 H ALA A 83 12.116 -8.501 3.713 1.00 0.42 H new ATOM 0 HA ALA A 83 12.440 -5.889 4.856 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.483 -5.128 2.503 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.495 -6.573 2.737 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.891 -6.722 1.979 1.00 0.52 H new ATOM 445 N ALA A 84 9.453 -6.677 3.769 1.00 0.34 N ATOM 446 CA ALA A 84 8.045 -6.191 3.748 1.00 0.31 C ATOM 447 C ALA A 84 7.690 -5.643 5.127 1.00 0.28 C ATOM 448 O ALA A 84 7.187 -4.544 5.260 1.00 0.28 O ATOM 449 CB ALA A 84 7.109 -7.351 3.402 1.00 0.34 C ATOM 0 H ALA A 84 9.580 -7.656 3.511 1.00 0.34 H new ATOM 0 HA ALA A 84 7.936 -5.406 2.999 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.079 -6.995 3.387 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.370 -7.749 2.421 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.210 -8.136 4.151 1.00 0.34 H new ATOM 455 N VAL A 85 7.954 -6.395 6.158 1.00 0.29 N ATOM 456 CA VAL A 85 7.635 -5.906 7.529 1.00 0.29 C ATOM 457 C VAL A 85 8.516 -4.700 7.849 1.00 0.29 C ATOM 458 O VAL A 85 8.040 -3.674 8.291 1.00 0.30 O ATOM 459 CB VAL A 85 7.888 -7.026 8.548 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.114 -6.738 9.839 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.421 -8.360 7.960 1.00 0.38 C ATOM 0 H VAL A 85 8.375 -7.323 6.112 1.00 0.29 H new ATOM 0 HA VAL A 85 6.587 -5.612 7.580 1.00 0.29 H new ATOM 0 HB VAL A 85 8.953 -7.076 8.773 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.297 -7.536 10.559 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.446 -5.788 10.258 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.048 -6.685 9.620 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.599 -9.158 8.681 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.356 -8.305 7.735 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.975 -8.568 7.045 1.00 0.38 H new ATOM 471 N ASP A 86 9.796 -4.807 7.622 1.00 0.30 N ATOM 472 CA ASP A 86 10.684 -3.652 7.908 1.00 0.32 C ATOM 473 C ASP A 86 10.232 -2.479 7.043 1.00 0.30 C ATOM 474 O ASP A 86 10.114 -1.361 7.504 1.00 0.31 O ATOM 475 CB ASP A 86 12.132 -4.015 7.569 1.00 0.36 C ATOM 476 CG ASP A 86 12.509 -5.319 8.272 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.685 -5.830 9.012 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.618 -5.784 8.060 1.00 1.23 O ATOM 0 H ASP A 86 10.260 -5.638 7.254 1.00 0.30 H new ATOM 0 HA ASP A 86 10.628 -3.387 8.964 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.248 -4.124 6.491 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.802 -3.214 7.882 1.00 0.36 H new ATOM 483 N LEU A 87 9.962 -2.730 5.792 1.00 0.29 N ATOM 484 CA LEU A 87 9.499 -1.637 4.898 1.00 0.30 C ATOM 485 C LEU A 87 8.181 -1.073 5.431 1.00 0.29 C ATOM 486 O LEU A 87 7.970 0.123 5.436 1.00 0.30 O ATOM 487 CB LEU A 87 9.291 -2.178 3.476 1.00 0.33 C ATOM 488 CG LEU A 87 9.060 -1.011 2.495 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.408 -0.359 2.098 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.338 -1.537 1.240 1.00 0.44 C ATOM 0 H LEU A 87 10.043 -3.646 5.352 1.00 0.29 H new ATOM 0 HA LEU A 87 10.251 -0.848 4.872 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.162 -2.756 3.167 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.436 -2.854 3.457 1.00 0.33 H new ATOM 0 HG LEU A 87 8.444 -0.254 2.981 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.225 0.462 1.405 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.904 0.023 2.990 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.045 -1.103 1.619 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.173 -0.715 0.544 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.951 -2.301 0.761 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.379 -1.968 1.526 1.00 0.44 H new ATOM 502 N SER A 88 7.285 -1.917 5.875 1.00 0.30 N ATOM 503 CA SER A 88 5.992 -1.398 6.395 1.00 0.34 C ATOM 504 C SER A 88 6.256 -0.287 7.418 1.00 0.33 C ATOM 505 O SER A 88 5.716 0.797 7.323 1.00 0.36 O ATOM 506 CB SER A 88 5.215 -2.534 7.060 1.00 0.40 C ATOM 507 OG SER A 88 5.760 -2.785 8.348 1.00 0.44 O ATOM 0 H SER A 88 7.394 -2.931 5.899 1.00 0.30 H new ATOM 0 HA SER A 88 5.407 -0.995 5.569 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.161 -2.269 7.144 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.269 -3.434 6.448 1.00 0.40 H new ATOM 0 HG SER A 88 6.475 -3.451 8.276 1.00 0.44 H new ATOM 513 N HIS A 89 7.079 -0.551 8.397 1.00 0.34 N ATOM 514 CA HIS A 89 7.371 0.485 9.431 1.00 0.36 C ATOM 515 C HIS A 89 8.275 1.579 8.857 1.00 0.36 C ATOM 516 O HIS A 89 8.176 2.730 9.235 1.00 0.41 O ATOM 517 CB HIS A 89 8.072 -0.171 10.627 1.00 0.41 C ATOM 518 CG HIS A 89 7.073 -0.935 11.452 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.521 -0.414 12.614 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.523 -2.183 11.303 1.00 1.01 C ATOM 521 CE1 HIS A 89 5.680 -1.338 13.111 1.00 1.27 C ATOM 522 NE2 HIS A 89 5.644 -2.435 12.352 1.00 0.82 N ATOM 0 H HIS A 89 7.562 -1.440 8.526 1.00 0.34 H new ATOM 0 HA HIS A 89 6.430 0.935 9.749 1.00 0.36 H new ATOM 0 HB2 HIS A 89 8.856 -0.842 10.276 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.555 0.591 11.239 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.717 0.502 13.017 1.00 1.43 H new ATOM 0 HD2 HIS A 89 6.739 -2.866 10.495 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.103 -1.208 14.015 1.00 1.27 H new ATOM 530 N PHE A 90 9.160 1.245 7.961 1.00 0.34 N ATOM 531 CA PHE A 90 10.055 2.294 7.399 1.00 0.37 C ATOM 532 C PHE A 90 9.200 3.427 6.832 1.00 0.40 C ATOM 533 O PHE A 90 9.372 4.579 7.174 1.00 0.47 O ATOM 534 CB PHE A 90 10.919 1.699 6.287 1.00 0.38 C ATOM 535 CG PHE A 90 11.948 2.718 5.857 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.145 2.851 6.572 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.704 3.530 4.743 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.098 3.796 6.172 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.656 4.475 4.344 1.00 0.70 C ATOM 540 CZ PHE A 90 13.853 4.609 5.058 1.00 0.72 C ATOM 0 H PHE A 90 9.302 0.303 7.597 1.00 0.34 H new ATOM 0 HA PHE A 90 10.704 2.678 8.185 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.412 0.793 6.639 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.296 1.414 5.439 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.333 2.225 7.432 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.781 3.427 4.192 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.022 3.898 6.722 1.00 0.69 H new ATOM 0 HE2 PHE A 90 12.467 5.101 3.485 1.00 0.70 H new ATOM 0 HZ PHE A 90 14.587 5.339 4.750 1.00 0.72 H new ATOM 550 N LEU A 91 8.277 3.108 5.971 1.00 0.37 N ATOM 551 CA LEU A 91 7.407 4.165 5.386 1.00 0.42 C ATOM 552 C LEU A 91 6.607 4.861 6.493 1.00 0.47 C ATOM 553 O LEU A 91 6.362 6.049 6.435 1.00 0.57 O ATOM 554 CB LEU A 91 6.434 3.524 4.389 1.00 0.41 C ATOM 555 CG LEU A 91 7.208 2.966 3.176 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.399 1.844 2.518 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.449 4.077 2.143 1.00 0.54 C ATOM 0 H LEU A 91 8.087 2.160 5.646 1.00 0.37 H new ATOM 0 HA LEU A 91 8.031 4.901 4.879 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.878 2.722 4.876 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.704 4.262 4.056 1.00 0.41 H new ATOM 0 HG LEU A 91 8.166 2.579 3.523 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.949 1.453 1.662 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.233 1.044 3.239 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.438 2.236 2.184 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.996 3.670 1.292 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.492 4.472 1.804 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.031 4.878 2.599 1.00 0.54 H new ATOM 569 N LYS A 92 6.176 4.130 7.491 1.00 0.45 N ATOM 570 CA LYS A 92 5.371 4.760 8.578 1.00 0.53 C ATOM 571 C LYS A 92 6.237 5.754 9.376 1.00 0.63 C ATOM 572 O LYS A 92 5.723 6.561 10.125 1.00 0.85 O ATOM 573 CB LYS A 92 4.780 3.639 9.484 1.00 0.54 C ATOM 574 CG LYS A 92 5.312 3.714 10.931 1.00 0.73 C ATOM 575 CD LYS A 92 4.760 2.539 11.765 1.00 1.20 C ATOM 576 CE LYS A 92 3.365 2.869 12.322 1.00 1.61 C ATOM 577 NZ LYS A 92 2.353 2.803 11.230 1.00 2.27 N ATOM 0 H LYS A 92 6.346 3.130 7.598 1.00 0.45 H new ATOM 0 HA LYS A 92 4.544 5.329 8.153 1.00 0.53 H new ATOM 0 HB2 LYS A 92 3.693 3.719 9.494 1.00 0.54 H new ATOM 0 HB3 LYS A 92 5.024 2.665 9.059 1.00 0.54 H new ATOM 0 HG2 LYS A 92 6.402 3.686 10.927 1.00 0.73 H new ATOM 0 HG3 LYS A 92 5.019 4.661 11.385 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.707 1.643 11.147 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.442 2.319 12.587 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.105 2.166 13.114 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.368 3.864 12.767 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 1.472 2.392 11.598 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 2.165 3.761 10.872 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 2.715 2.210 10.456 1.00 2.27 H new ATOM 591 N GLU A 93 7.534 5.708 9.233 1.00 0.62 N ATOM 592 CA GLU A 93 8.384 6.657 10.000 1.00 0.76 C ATOM 593 C GLU A 93 8.223 8.059 9.423 1.00 0.77 C ATOM 594 O GLU A 93 7.442 8.859 9.898 1.00 1.05 O ATOM 595 CB GLU A 93 9.852 6.233 9.905 1.00 0.94 C ATOM 596 CG GLU A 93 10.087 4.998 10.777 1.00 1.22 C ATOM 597 CD GLU A 93 11.429 4.362 10.411 1.00 2.00 C ATOM 598 OE1 GLU A 93 12.320 5.093 10.014 1.00 2.54 O ATOM 599 OE2 GLU A 93 11.542 3.153 10.532 1.00 2.73 O ATOM 0 H GLU A 93 8.036 5.061 8.625 1.00 0.62 H new ATOM 0 HA GLU A 93 8.076 6.652 11.046 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.111 6.014 8.869 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.498 7.048 10.230 1.00 0.94 H new ATOM 0 HG2 GLU A 93 10.080 5.277 11.831 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.281 4.279 10.633 1.00 1.22 H new ATOM 606 N LYS A 94 8.969 8.361 8.401 1.00 0.80 N ATOM 607 CA LYS A 94 8.884 9.714 7.777 1.00 1.02 C ATOM 608 C LYS A 94 7.720 9.770 6.784 1.00 0.96 C ATOM 609 O LYS A 94 7.144 10.813 6.549 1.00 1.41 O ATOM 610 CB LYS A 94 10.193 10.020 7.046 1.00 1.39 C ATOM 611 CG LYS A 94 10.437 8.961 5.969 1.00 1.63 C ATOM 612 CD LYS A 94 11.868 9.089 5.444 1.00 2.18 C ATOM 613 CE LYS A 94 12.059 8.154 4.249 1.00 2.61 C ATOM 614 NZ LYS A 94 13.486 8.184 3.820 1.00 2.96 N ATOM 0 H LYS A 94 9.639 7.727 7.966 1.00 0.80 H new ATOM 0 HA LYS A 94 8.716 10.454 8.559 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.146 11.010 6.593 1.00 1.39 H new ATOM 0 HB3 LYS A 94 11.022 10.032 7.753 1.00 1.39 H new ATOM 0 HG2 LYS A 94 10.277 7.964 6.381 1.00 1.63 H new ATOM 0 HG3 LYS A 94 9.726 9.087 5.152 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.067 10.119 5.149 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.579 8.840 6.232 1.00 2.18 H new ATOM 0 HE2 LYS A 94 11.770 7.138 4.518 1.00 2.61 H new ATOM 0 HE3 LYS A 94 11.414 8.461 3.426 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.618 7.549 3.007 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.746 9.153 3.547 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.091 7.871 4.606 1.00 2.96 H new ATOM 628 N GLY A 95 7.379 8.661 6.186 1.00 1.12 N ATOM 629 CA GLY A 95 6.264 8.660 5.195 1.00 1.51 C ATOM 630 C GLY A 95 4.918 8.861 5.905 1.00 1.10 C ATOM 631 O GLY A 95 4.510 9.976 6.164 1.00 1.71 O ATOM 0 H GLY A 95 7.824 7.756 6.340 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.419 9.453 4.463 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.256 7.718 4.647 1.00 1.51 H new ATOM 635 N GLY A 96 4.219 7.793 6.217 1.00 1.17 N ATOM 636 CA GLY A 96 2.890 7.919 6.903 1.00 0.99 C ATOM 637 C GLY A 96 1.769 7.611 5.906 1.00 0.81 C ATOM 638 O GLY A 96 0.941 8.448 5.608 1.00 0.83 O ATOM 0 H GLY A 96 4.513 6.835 6.025 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.838 7.232 7.748 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.769 8.926 7.303 1.00 0.99 H new ATOM 642 N LEU A 97 1.739 6.411 5.389 1.00 0.67 N ATOM 643 CA LEU A 97 0.677 6.031 4.409 1.00 0.55 C ATOM 644 C LEU A 97 -0.588 5.618 5.177 1.00 0.46 C ATOM 645 O LEU A 97 -1.675 5.574 4.638 1.00 0.49 O ATOM 646 CB LEU A 97 1.202 4.857 3.564 1.00 0.54 C ATOM 647 CG LEU A 97 0.217 4.496 2.432 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.434 5.412 1.223 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.457 3.044 1.999 1.00 0.66 C ATOM 0 H LEU A 97 2.409 5.672 5.605 1.00 0.67 H new ATOM 0 HA LEU A 97 0.431 6.868 3.756 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.170 5.118 3.137 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.359 3.988 4.203 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.802 4.621 2.800 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.268 5.145 0.433 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.271 6.449 1.518 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.454 5.295 0.856 1.00 0.65 H new ATOM 0 HD21 LEU A 97 -0.236 2.783 1.199 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.481 2.936 1.641 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.297 2.380 2.848 1.00 0.66 H new ATOM 661 N GLU A 98 -0.456 5.318 6.436 1.00 0.44 N ATOM 662 CA GLU A 98 -1.646 4.909 7.235 1.00 0.40 C ATOM 663 C GLU A 98 -2.784 5.917 7.055 1.00 0.40 C ATOM 664 O GLU A 98 -2.570 7.102 6.890 1.00 0.58 O ATOM 665 CB GLU A 98 -1.268 4.838 8.718 1.00 0.49 C ATOM 666 CG GLU A 98 -2.516 4.560 9.563 1.00 0.48 C ATOM 667 CD GLU A 98 -2.099 4.205 10.990 1.00 1.26 C ATOM 668 OE1 GLU A 98 -1.461 5.032 11.622 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.424 3.114 11.429 1.00 1.94 O ATOM 0 H GLU A 98 0.425 5.338 6.949 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.979 3.931 6.888 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.529 4.053 8.876 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.809 5.776 9.030 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -3.165 5.435 9.570 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -3.089 3.742 9.126 1.00 0.48 H new ATOM 676 N GLY A 99 -3.993 5.440 7.119 1.00 0.39 N ATOM 677 CA GLY A 99 -5.185 6.330 6.993 1.00 0.42 C ATOM 678 C GLY A 99 -5.086 7.230 5.754 1.00 0.42 C ATOM 679 O GLY A 99 -5.886 8.126 5.571 1.00 0.46 O ATOM 0 H GLY A 99 -4.213 4.453 7.256 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -6.089 5.723 6.932 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.275 6.948 7.887 1.00 0.42 H new ATOM 683 N LEU A 100 -4.127 7.009 4.900 1.00 0.41 N ATOM 684 CA LEU A 100 -4.012 7.866 3.680 1.00 0.43 C ATOM 685 C LEU A 100 -5.079 7.432 2.669 1.00 0.42 C ATOM 686 O LEU A 100 -4.970 6.390 2.053 1.00 0.44 O ATOM 687 CB LEU A 100 -2.606 7.686 3.080 1.00 0.45 C ATOM 688 CG LEU A 100 -2.289 8.753 2.008 1.00 0.55 C ATOM 689 CD1 LEU A 100 -3.219 8.596 0.794 1.00 1.15 C ATOM 690 CD2 LEU A 100 -2.417 10.171 2.599 1.00 1.17 C ATOM 0 H LEU A 100 -3.421 6.278 4.989 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.163 8.916 3.932 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.863 7.741 3.876 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.526 6.693 2.637 1.00 0.45 H new ATOM 0 HG LEU A 100 -1.261 8.606 1.677 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -2.979 9.357 0.051 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -3.083 7.607 0.357 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -4.255 8.713 1.112 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -2.190 10.908 1.829 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -3.434 10.324 2.960 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.718 10.284 3.427 1.00 1.17 H new ATOM 702 N ILE A 101 -6.123 8.206 2.502 1.00 0.44 N ATOM 703 CA ILE A 101 -7.192 7.801 1.542 1.00 0.45 C ATOM 704 C ILE A 101 -6.584 7.541 0.159 1.00 0.46 C ATOM 705 O ILE A 101 -6.273 8.450 -0.585 1.00 0.49 O ATOM 706 CB ILE A 101 -8.286 8.889 1.476 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.225 8.755 2.703 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.101 8.761 0.178 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.289 7.650 2.494 1.00 0.52 C ATOM 0 H ILE A 101 -6.279 9.091 2.984 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.655 6.877 1.888 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.808 9.868 1.487 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.634 8.527 3.590 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.722 9.708 2.887 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.866 9.537 0.151 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.439 8.875 -0.680 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.576 7.781 0.142 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.927 7.588 3.376 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.897 7.891 1.622 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.793 6.692 2.337 1.00 0.52 H new ATOM 721 N HIS A 102 -6.432 6.286 -0.183 1.00 0.47 N ATOM 722 CA HIS A 102 -5.868 5.919 -1.510 1.00 0.51 C ATOM 723 C HIS A 102 -6.820 6.386 -2.608 1.00 0.58 C ATOM 724 O HIS A 102 -7.904 5.846 -2.774 1.00 0.64 O ATOM 725 CB HIS A 102 -5.715 4.397 -1.598 1.00 0.57 C ATOM 726 CG HIS A 102 -5.184 4.023 -2.954 1.00 0.64 C ATOM 727 ND1 HIS A 102 -4.606 4.952 -3.805 1.00 1.41 N ATOM 728 CD2 HIS A 102 -5.150 2.827 -3.626 1.00 0.64 C ATOM 729 CE1 HIS A 102 -4.254 4.306 -4.932 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.562 3.008 -4.874 1.00 0.70 N ATOM 0 H HIS A 102 -6.679 5.494 0.410 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.895 6.394 -1.634 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -5.038 4.044 -0.821 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.677 3.914 -1.427 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -5.523 1.888 -3.244 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -3.780 4.779 -5.779 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.401 2.301 -5.591 1.00 0.70 H new ATOM 738 N SER A 103 -6.424 7.380 -3.356 1.00 0.60 N ATOM 739 CA SER A 103 -7.292 7.889 -4.455 1.00 0.69 C ATOM 740 C SER A 103 -7.293 6.881 -5.607 1.00 0.76 C ATOM 741 O SER A 103 -8.134 6.009 -5.689 1.00 0.85 O ATOM 742 CB SER A 103 -6.751 9.230 -4.954 1.00 0.74 C ATOM 743 OG SER A 103 -7.190 9.443 -6.289 1.00 1.49 O ATOM 0 H SER A 103 -5.532 7.863 -3.252 1.00 0.60 H new ATOM 0 HA SER A 103 -8.308 8.023 -4.084 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.099 10.038 -4.311 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.662 9.235 -4.911 1.00 0.74 H new ATOM 0 HG SER A 103 -6.847 10.302 -6.613 1.00 1.49 H new ATOM 749 N GLN A 104 -6.347 7.000 -6.498 1.00 0.81 N ATOM 750 CA GLN A 104 -6.271 6.060 -7.651 1.00 0.92 C ATOM 751 C GLN A 104 -4.933 6.271 -8.365 1.00 0.93 C ATOM 752 O GLN A 104 -4.830 6.155 -9.570 1.00 1.37 O ATOM 753 CB GLN A 104 -7.430 6.339 -8.617 1.00 1.06 C ATOM 754 CG GLN A 104 -7.648 5.130 -9.531 1.00 1.76 C ATOM 755 CD GLN A 104 -8.297 3.996 -8.734 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.488 4.008 -8.499 1.00 2.64 O ATOM 757 NE2 GLN A 104 -7.556 3.011 -8.305 1.00 2.70 N ATOM 0 H GLN A 104 -5.618 7.714 -6.476 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.344 5.030 -7.302 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.340 6.550 -8.056 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.212 7.224 -9.215 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -8.283 5.407 -10.372 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.696 4.798 -9.946 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -6.555 3.002 -8.503 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -7.977 2.250 -7.772 1.00 2.70 H new ATOM 766 N ARG A 105 -3.906 6.591 -7.625 1.00 0.83 N ATOM 767 CA ARG A 105 -2.575 6.819 -8.251 1.00 0.87 C ATOM 768 C ARG A 105 -1.490 6.744 -7.169 1.00 0.74 C ATOM 769 O ARG A 105 -0.340 6.467 -7.445 1.00 0.70 O ATOM 770 CB ARG A 105 -2.566 8.209 -8.920 1.00 1.06 C ATOM 771 CG ARG A 105 -1.560 8.242 -10.094 1.00 1.71 C ATOM 772 CD ARG A 105 -2.223 7.763 -11.397 1.00 1.99 C ATOM 773 NE ARG A 105 -2.395 6.283 -11.364 1.00 2.86 N ATOM 774 CZ ARG A 105 -3.206 5.700 -12.205 1.00 3.60 C ATOM 775 NH1 ARG A 105 -3.884 6.415 -13.061 1.00 3.73 N ATOM 776 NH2 ARG A 105 -3.342 4.402 -12.186 1.00 4.61 N ATOM 0 H ARG A 105 -3.933 6.704 -6.612 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.378 6.057 -9.005 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -3.565 8.450 -9.283 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -2.301 8.970 -8.186 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -1.181 9.255 -10.225 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -0.704 7.609 -9.863 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -3.191 8.248 -11.522 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.611 8.048 -12.253 1.00 1.99 H new ATOM 0 HE ARG A 105 -1.879 5.725 -10.684 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -3.780 7.430 -13.073 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -4.517 5.959 -13.718 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -2.815 3.844 -11.514 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -3.975 3.946 -12.843 1.00 4.61 H new ATOM 790 N ARG A 106 -1.853 6.987 -5.938 1.00 0.71 N ATOM 791 CA ARG A 106 -0.851 6.927 -4.836 1.00 0.65 C ATOM 792 C ARG A 106 -0.196 5.542 -4.819 1.00 0.54 C ATOM 793 O ARG A 106 0.949 5.393 -4.443 1.00 0.50 O ATOM 794 CB ARG A 106 -1.552 7.183 -3.493 1.00 0.70 C ATOM 795 CG ARG A 106 -1.734 8.689 -3.278 1.00 1.01 C ATOM 796 CD ARG A 106 -2.484 9.300 -4.463 1.00 1.24 C ATOM 797 NE ARG A 106 -3.022 10.633 -4.070 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.431 11.470 -4.985 1.00 2.48 C ATOM 799 NH1 ARG A 106 -3.367 11.142 -6.246 1.00 2.86 N ATOM 800 NH2 ARG A 106 -3.903 12.635 -4.637 1.00 3.29 N ATOM 0 H ARG A 106 -2.802 7.225 -5.648 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.086 7.687 -4.995 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.521 6.685 -3.478 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -0.964 6.759 -2.679 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -2.286 8.869 -2.356 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.762 9.169 -3.166 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -1.815 9.402 -5.318 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -3.297 8.643 -4.771 1.00 1.24 H new ATOM 0 HE ARG A 106 -3.071 10.892 -3.085 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -2.997 10.231 -6.518 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -3.687 11.796 -6.960 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -3.952 12.891 -3.651 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.223 13.290 -5.351 1.00 3.29 H new ATOM 814 N GLN A 107 -0.914 4.529 -5.219 1.00 0.55 N ATOM 815 CA GLN A 107 -0.327 3.158 -5.219 1.00 0.52 C ATOM 816 C GLN A 107 0.878 3.119 -6.162 1.00 0.49 C ATOM 817 O GLN A 107 1.907 2.557 -5.846 1.00 0.44 O ATOM 818 CB GLN A 107 -1.378 2.152 -5.690 1.00 0.63 C ATOM 819 CG GLN A 107 -0.847 0.728 -5.503 1.00 1.11 C ATOM 820 CD GLN A 107 -1.836 -0.269 -6.108 1.00 1.53 C ATOM 821 OE1 GLN A 107 -3.031 -0.046 -6.089 1.00 2.13 O ATOM 822 NE2 GLN A 107 -1.387 -1.368 -6.649 1.00 2.12 N ATOM 0 H GLN A 107 -1.879 4.590 -5.545 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.006 2.900 -4.210 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.301 2.284 -5.125 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.619 2.326 -6.739 1.00 0.63 H new ATOM 0 HG2 GLN A 107 0.127 0.626 -5.981 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.705 0.518 -4.443 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -0.385 -1.556 -6.665 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -2.038 -2.039 -7.056 1.00 2.12 H new ATOM 831 N ASP A 108 0.760 3.711 -7.321 1.00 0.56 N ATOM 832 CA ASP A 108 1.902 3.703 -8.278 1.00 0.59 C ATOM 833 C ASP A 108 3.126 4.346 -7.621 1.00 0.54 C ATOM 834 O ASP A 108 4.205 3.788 -7.616 1.00 0.54 O ATOM 835 CB ASP A 108 1.525 4.497 -9.532 1.00 0.72 C ATOM 836 CG ASP A 108 0.247 3.918 -10.141 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.547 3.369 -9.393 1.00 1.42 O ATOM 838 OD2 ASP A 108 0.082 4.032 -11.344 1.00 1.33 O ATOM 0 H ASP A 108 -0.076 4.198 -7.645 1.00 0.56 H new ATOM 0 HA ASP A 108 2.134 2.674 -8.553 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.376 5.547 -9.279 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.337 4.456 -10.258 1.00 0.72 H new ATOM 843 N ILE A 109 2.967 5.519 -7.070 1.00 0.55 N ATOM 844 CA ILE A 109 4.122 6.200 -6.417 1.00 0.54 C ATOM 845 C ILE A 109 4.831 5.227 -5.472 1.00 0.47 C ATOM 846 O ILE A 109 6.034 5.271 -5.310 1.00 0.53 O ATOM 847 CB ILE A 109 3.620 7.404 -5.614 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.669 8.244 -6.477 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.810 8.262 -5.174 1.00 0.63 C ATOM 850 CD1 ILE A 109 3.327 8.578 -7.821 1.00 1.47 C ATOM 0 H ILE A 109 2.088 6.035 -7.044 1.00 0.55 H new ATOM 0 HA ILE A 109 4.819 6.534 -7.185 1.00 0.54 H new ATOM 0 HB ILE A 109 3.085 7.049 -4.733 1.00 0.59 H new ATOM 0 HG12 ILE A 109 1.741 7.698 -6.644 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.408 9.164 -5.953 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.450 9.118 -4.603 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.478 7.666 -4.552 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.350 8.614 -6.053 1.00 0.63 H new ATOM 0 HD11 ILE A 109 2.642 9.174 -8.423 1.00 1.47 H new ATOM 0 HD12 ILE A 109 4.243 9.143 -7.647 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.565 7.655 -8.349 1.00 1.47 H new ATOM 862 N LEU A 110 4.095 4.354 -4.838 1.00 0.43 N ATOM 863 CA LEU A 110 4.731 3.391 -3.895 1.00 0.39 C ATOM 864 C LEU A 110 5.443 2.284 -4.681 1.00 0.38 C ATOM 865 O LEU A 110 6.653 2.188 -4.672 1.00 0.38 O ATOM 866 CB LEU A 110 3.652 2.770 -3.001 1.00 0.42 C ATOM 867 CG LEU A 110 4.298 1.916 -1.896 1.00 0.44 C ATOM 868 CD1 LEU A 110 5.004 2.810 -0.861 1.00 0.56 C ATOM 869 CD2 LEU A 110 3.207 1.093 -1.204 1.00 0.66 C ATOM 0 H LEU A 110 3.083 4.267 -4.932 1.00 0.43 H new ATOM 0 HA LEU A 110 5.460 3.918 -3.280 1.00 0.39 H new ATOM 0 HB2 LEU A 110 3.045 3.557 -2.553 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.983 2.154 -3.602 1.00 0.42 H new ATOM 0 HG LEU A 110 5.041 1.256 -2.344 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.454 2.187 -0.088 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.781 3.394 -1.354 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.278 3.484 -0.406 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.654 0.484 -0.419 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.468 1.764 -0.766 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.722 0.445 -1.934 1.00 0.66 H new ATOM 881 N ASP A 111 4.702 1.444 -5.351 1.00 0.40 N ATOM 882 CA ASP A 111 5.335 0.336 -6.123 1.00 0.42 C ATOM 883 C ASP A 111 6.521 0.869 -6.933 1.00 0.43 C ATOM 884 O ASP A 111 7.583 0.279 -6.957 1.00 0.42 O ATOM 885 CB ASP A 111 4.303 -0.274 -7.073 1.00 0.50 C ATOM 886 CG ASP A 111 3.276 -1.073 -6.269 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.634 -2.126 -5.767 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.148 -0.618 -6.165 1.00 1.19 O ATOM 0 H ASP A 111 3.684 1.477 -5.397 1.00 0.40 H new ATOM 0 HA ASP A 111 5.692 -0.424 -5.428 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.805 0.513 -7.639 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.798 -0.922 -7.796 1.00 0.50 H new ATOM 893 N LEU A 112 6.350 1.976 -7.600 1.00 0.48 N ATOM 894 CA LEU A 112 7.471 2.538 -8.410 1.00 0.52 C ATOM 895 C LEU A 112 8.619 2.928 -7.477 1.00 0.48 C ATOM 896 O LEU A 112 9.749 2.524 -7.670 1.00 0.47 O ATOM 897 CB LEU A 112 6.960 3.770 -9.181 1.00 0.60 C ATOM 898 CG LEU A 112 8.016 4.317 -10.173 1.00 0.70 C ATOM 899 CD1 LEU A 112 9.210 4.944 -9.425 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.509 3.199 -11.111 1.00 1.26 C ATOM 0 H LEU A 112 5.485 2.516 -7.621 1.00 0.48 H new ATOM 0 HA LEU A 112 7.834 1.797 -9.122 1.00 0.52 H new ATOM 0 HB2 LEU A 112 6.054 3.505 -9.726 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.689 4.553 -8.473 1.00 0.60 H new ATOM 0 HG LEU A 112 7.539 5.094 -10.770 1.00 0.70 H new ATOM 0 HD11 LEU A 112 9.935 5.319 -10.147 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.858 5.767 -8.803 1.00 1.45 H new ATOM 0 HD13 LEU A 112 9.682 4.189 -8.796 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.250 3.603 -11.800 1.00 1.26 H new ATOM 0 HD22 LEU A 112 8.959 2.401 -10.521 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.667 2.801 -11.677 1.00 1.26 H new ATOM 912 N TRP A 113 8.346 3.703 -6.463 1.00 0.48 N ATOM 913 CA TRP A 113 9.433 4.108 -5.527 1.00 0.48 C ATOM 914 C TRP A 113 10.235 2.868 -5.116 1.00 0.43 C ATOM 915 O TRP A 113 11.448 2.854 -5.185 1.00 0.45 O ATOM 916 CB TRP A 113 8.822 4.763 -4.285 1.00 0.52 C ATOM 917 CG TRP A 113 9.903 5.076 -3.301 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.719 6.153 -3.353 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.294 4.324 -2.118 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.588 6.106 -2.278 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.366 4.997 -1.487 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.827 3.134 -1.540 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.953 4.504 -0.322 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.413 2.633 -0.370 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.475 3.317 0.241 1.00 0.67 C ATOM 0 H TRP A 113 7.421 4.072 -6.243 1.00 0.48 H new ATOM 0 HA TRP A 113 10.094 4.821 -6.020 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.295 5.675 -4.564 1.00 0.52 H new ATOM 0 HB3 TRP A 113 8.087 4.096 -3.834 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.696 6.923 -4.110 1.00 0.66 H new ATOM 0 HE1 TRP A 113 12.306 6.806 -2.092 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.009 2.600 -2.001 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.771 5.035 0.142 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.045 1.715 0.064 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.922 2.928 1.144 1.00 0.67 H new ATOM 936 N ILE A 114 9.571 1.823 -4.700 1.00 0.39 N ATOM 937 CA ILE A 114 10.307 0.589 -4.302 1.00 0.37 C ATOM 938 C ILE A 114 11.135 0.092 -5.493 1.00 0.39 C ATOM 939 O ILE A 114 12.163 -0.534 -5.331 1.00 0.44 O ATOM 940 CB ILE A 114 9.313 -0.503 -3.885 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.383 0.032 -2.794 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.075 -1.711 -3.338 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.337 -1.029 -2.448 1.00 1.00 C ATOM 0 H ILE A 114 8.556 1.771 -4.619 1.00 0.39 H new ATOM 0 HA ILE A 114 10.962 0.816 -3.461 1.00 0.37 H new ATOM 0 HB ILE A 114 8.727 -0.799 -4.755 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.959 0.293 -1.906 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.892 0.944 -3.135 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.366 -2.485 -3.043 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.739 -2.102 -4.109 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.663 -1.408 -2.472 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.675 -0.647 -1.671 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.753 -1.268 -3.337 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.836 -1.929 -2.089 1.00 1.00 H new ATOM 955 N TYR A 115 10.690 0.354 -6.688 1.00 0.40 N ATOM 956 CA TYR A 115 11.449 -0.111 -7.884 1.00 0.46 C ATOM 957 C TYR A 115 12.792 0.638 -7.976 1.00 0.51 C ATOM 958 O TYR A 115 13.847 0.039 -8.009 1.00 0.54 O ATOM 959 CB TYR A 115 10.598 0.152 -9.141 1.00 0.53 C ATOM 960 CG TYR A 115 10.947 -0.839 -10.237 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.730 -2.212 -10.039 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.482 -0.385 -11.450 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.048 -3.123 -11.052 1.00 0.65 C ATOM 964 CE2 TYR A 115 11.800 -1.298 -12.461 1.00 0.82 C ATOM 965 CZ TYR A 115 11.584 -2.667 -12.263 1.00 0.77 C ATOM 966 OH TYR A 115 11.897 -3.567 -13.262 1.00 0.87 O ATOM 0 H TYR A 115 9.834 0.870 -6.890 1.00 0.40 H new ATOM 0 HA TYR A 115 11.658 -1.178 -7.803 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.539 0.072 -8.894 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.767 1.169 -9.495 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.318 -2.565 -9.105 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.649 0.671 -11.604 1.00 0.74 H new ATOM 0 HE1 TYR A 115 10.880 -4.179 -10.900 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.213 -0.946 -13.395 1.00 0.82 H new ATOM 0 HH TYR A 115 12.257 -3.085 -14.035 1.00 0.87 H new ATOM 976 N HIS A 116 12.751 1.942 -8.032 1.00 0.58 N ATOM 977 CA HIS A 116 14.013 2.743 -8.140 1.00 0.67 C ATOM 978 C HIS A 116 14.905 2.546 -6.906 1.00 0.67 C ATOM 979 O HIS A 116 15.958 3.144 -6.811 1.00 0.81 O ATOM 980 CB HIS A 116 13.653 4.230 -8.268 1.00 0.79 C ATOM 981 CG HIS A 116 13.176 4.523 -9.666 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.215 5.799 -10.206 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.650 3.717 -10.644 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.726 5.724 -11.458 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.367 4.477 -11.775 1.00 2.74 N ATOM 0 H HIS A 116 11.893 2.494 -8.008 1.00 0.58 H new ATOM 0 HA HIS A 116 14.562 2.404 -9.018 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.877 4.489 -7.548 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.522 4.845 -8.034 1.00 0.79 H new ATOM 0 HD2 HIS A 116 12.481 2.654 -10.550 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.635 6.569 -12.125 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.971 4.152 -12.657 1.00 2.74 H new ATOM 993 N THR A 117 14.510 1.727 -5.959 1.00 0.63 N ATOM 994 CA THR A 117 15.367 1.521 -4.741 1.00 0.68 C ATOM 995 C THR A 117 16.167 0.225 -4.879 1.00 0.66 C ATOM 996 O THR A 117 17.146 0.162 -5.599 1.00 0.73 O ATOM 997 CB THR A 117 14.491 1.446 -3.486 1.00 0.80 C ATOM 998 OG1 THR A 117 13.413 0.552 -3.706 1.00 0.85 O ATOM 999 CG2 THR A 117 13.948 2.837 -3.159 1.00 0.91 C ATOM 0 H THR A 117 13.640 1.195 -5.974 1.00 0.63 H new ATOM 0 HA THR A 117 16.053 2.363 -4.651 1.00 0.68 H new ATOM 0 HB THR A 117 15.089 1.085 -2.650 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.332 -0.057 -2.943 1.00 0.85 H new ATOM 0 HG21 THR A 117 13.325 2.784 -2.266 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.779 3.519 -2.981 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.352 3.201 -3.996 1.00 0.91 H new ATOM 1007 N GLN A 118 15.769 -0.808 -4.188 1.00 0.73 N ATOM 1008 CA GLN A 118 16.517 -2.098 -4.272 1.00 0.83 C ATOM 1009 C GLN A 118 16.101 -2.857 -5.534 1.00 0.72 C ATOM 1010 O GLN A 118 16.548 -3.960 -5.781 1.00 0.91 O ATOM 1011 CB GLN A 118 16.226 -2.949 -3.028 1.00 1.06 C ATOM 1012 CG GLN A 118 16.132 -2.051 -1.786 1.00 1.48 C ATOM 1013 CD GLN A 118 14.742 -1.401 -1.690 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.816 -1.694 -2.567 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 14.499 -0.610 -0.801 1.00 2.13 N flip ATOM 0 H GLN A 118 14.959 -0.816 -3.569 1.00 0.73 H new ATOM 0 HA GLN A 118 17.586 -1.891 -4.319 1.00 0.83 H new ATOM 0 HB2 GLN A 118 15.293 -3.496 -3.162 1.00 1.06 H new ATOM 0 HB3 GLN A 118 17.014 -3.690 -2.892 1.00 1.06 H new ATOM 0 HG2 GLN A 118 16.326 -2.640 -0.890 1.00 1.48 H new ATOM 0 HG3 GLN A 118 16.898 -1.277 -1.831 1.00 1.48 H new ATOM 0 HE21 GLN A 118 15.217 -0.378 -0.115 1.00 2.13 H new ATOM 0 HE22 GLN A 118 13.577 -0.178 -0.741 1.00 2.13 H new ATOM 1024 N GLY A 119 15.261 -2.273 -6.340 1.00 0.86 N ATOM 1025 CA GLY A 119 14.832 -2.953 -7.594 1.00 0.85 C ATOM 1026 C GLY A 119 13.996 -4.197 -7.282 1.00 0.65 C ATOM 1027 O GLY A 119 14.059 -5.179 -7.990 1.00 0.67 O ATOM 0 H GLY A 119 14.852 -1.352 -6.185 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.251 -2.263 -8.206 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.708 -3.236 -8.177 1.00 0.85 H new ATOM 1031 N TYR A 120 13.202 -4.173 -6.247 1.00 0.54 N ATOM 1032 CA TYR A 120 12.370 -5.373 -5.948 1.00 0.44 C ATOM 1033 C TYR A 120 11.234 -5.435 -6.969 1.00 0.49 C ATOM 1034 O TYR A 120 10.547 -4.463 -7.209 1.00 0.70 O ATOM 1035 CB TYR A 120 11.778 -5.272 -4.533 1.00 0.48 C ATOM 1036 CG TYR A 120 12.773 -5.770 -3.503 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.221 -7.097 -3.539 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.243 -4.904 -2.508 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.139 -7.550 -2.585 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.160 -5.359 -1.555 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.609 -6.682 -1.595 1.00 0.75 C ATOM 1042 OH TYR A 120 15.514 -7.132 -0.656 1.00 0.91 O ATOM 0 H TYR A 120 13.094 -3.388 -5.605 1.00 0.54 H new ATOM 0 HA TYR A 120 12.986 -6.270 -6.004 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.510 -4.238 -4.318 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.861 -5.858 -4.474 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.858 -7.770 -4.302 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.896 -3.882 -2.476 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.485 -8.573 -2.614 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.521 -4.689 -0.789 1.00 0.71 H new ATOM 0 HH TYR A 120 15.738 -6.402 -0.041 1.00 0.91 H new ATOM 1052 N PHE A 121 11.027 -6.572 -7.565 1.00 0.48 N ATOM 1053 CA PHE A 121 9.931 -6.698 -8.564 1.00 0.57 C ATOM 1054 C PHE A 121 8.602 -6.858 -7.804 1.00 0.55 C ATOM 1055 O PHE A 121 8.539 -7.590 -6.836 1.00 0.59 O ATOM 1056 CB PHE A 121 10.187 -7.935 -9.439 1.00 0.68 C ATOM 1057 CG PHE A 121 9.420 -7.820 -10.737 1.00 1.42 C ATOM 1058 CD1 PHE A 121 8.099 -8.275 -10.814 1.00 2.33 C ATOM 1059 CD2 PHE A 121 10.034 -7.263 -11.865 1.00 2.32 C ATOM 1060 CE1 PHE A 121 7.390 -8.173 -12.017 1.00 3.43 C ATOM 1061 CE2 PHE A 121 9.327 -7.160 -13.069 1.00 3.44 C ATOM 1062 CZ PHE A 121 8.005 -7.616 -13.145 1.00 3.85 C ATOM 0 H PHE A 121 11.569 -7.421 -7.405 1.00 0.48 H new ATOM 0 HA PHE A 121 9.889 -5.815 -9.202 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.253 -8.030 -9.645 1.00 0.68 H new ATOM 0 HB3 PHE A 121 9.883 -8.836 -8.906 1.00 0.68 H new ATOM 0 HD1 PHE A 121 7.626 -8.706 -9.944 1.00 2.33 H new ATOM 0 HD2 PHE A 121 11.054 -6.912 -11.806 1.00 2.32 H new ATOM 0 HE1 PHE A 121 6.370 -8.523 -12.075 1.00 3.43 H new ATOM 0 HE2 PHE A 121 9.801 -6.729 -13.939 1.00 3.44 H new ATOM 0 HZ PHE A 121 7.460 -7.538 -14.074 1.00 3.85 H new ATOM 1072 N PRO A 122 7.549 -6.182 -8.208 1.00 0.64 N ATOM 1073 CA PRO A 122 6.234 -6.281 -7.506 1.00 0.67 C ATOM 1074 C PRO A 122 5.510 -7.607 -7.779 1.00 0.73 C ATOM 1075 O PRO A 122 4.310 -7.641 -7.968 1.00 1.19 O ATOM 1076 CB PRO A 122 5.445 -5.090 -8.066 1.00 0.80 C ATOM 1077 CG PRO A 122 5.989 -4.899 -9.443 1.00 1.05 C ATOM 1078 CD PRO A 122 7.476 -5.259 -9.360 1.00 0.87 C ATOM 0 HA PRO A 122 6.347 -6.258 -6.422 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.375 -5.297 -8.087 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.586 -4.198 -7.456 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.472 -5.537 -10.159 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.854 -3.870 -9.777 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.825 -5.734 -10.277 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.094 -4.375 -9.204 1.00 0.87 H new ATOM 1086 N ASP A 123 6.221 -8.701 -7.781 1.00 0.56 N ATOM 1087 CA ASP A 123 5.556 -10.013 -8.017 1.00 0.64 C ATOM 1088 C ASP A 123 4.961 -10.492 -6.693 1.00 0.58 C ATOM 1089 O ASP A 123 4.432 -11.581 -6.589 1.00 0.65 O ATOM 1090 CB ASP A 123 6.585 -11.034 -8.513 1.00 0.74 C ATOM 1091 CG ASP A 123 7.872 -10.898 -7.700 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.825 -10.270 -6.654 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.883 -11.425 -8.133 1.00 1.38 O ATOM 0 H ASP A 123 7.229 -8.743 -7.630 1.00 0.56 H new ATOM 0 HA ASP A 123 4.774 -9.907 -8.769 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.186 -12.044 -8.416 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.792 -10.873 -9.571 1.00 0.74 H new ATOM 1098 N TRP A 124 5.052 -9.673 -5.675 1.00 0.53 N ATOM 1099 CA TRP A 124 4.509 -10.043 -4.332 1.00 0.52 C ATOM 1100 C TRP A 124 3.242 -9.244 -4.058 1.00 0.51 C ATOM 1101 O TRP A 124 2.411 -9.616 -3.255 1.00 0.55 O ATOM 1102 CB TRP A 124 5.554 -9.706 -3.268 1.00 0.49 C ATOM 1103 CG TRP A 124 5.979 -8.282 -3.441 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.972 -7.861 -4.261 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.439 -7.086 -2.807 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.076 -6.486 -4.167 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.154 -5.962 -3.284 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.411 -6.868 -1.872 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.859 -4.669 -2.853 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.111 -5.567 -1.436 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.833 -4.471 -1.926 1.00 0.55 C ATOM 0 H TRP A 124 5.486 -8.751 -5.719 1.00 0.53 H new ATOM 0 HA TRP A 124 4.279 -11.108 -4.308 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.140 -9.857 -2.271 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.414 -10.370 -3.360 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.582 -8.496 -4.886 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.752 -5.927 -4.687 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.849 -7.706 -1.487 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.419 -3.827 -3.233 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.319 -5.411 -0.719 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.596 -3.473 -1.587 1.00 0.55 H new ATOM 1122 N GLN A 125 3.106 -8.147 -4.723 1.00 0.53 N ATOM 1123 CA GLN A 125 1.906 -7.287 -4.527 1.00 0.60 C ATOM 1124 C GLN A 125 0.710 -7.898 -5.265 1.00 0.66 C ATOM 1125 O GLN A 125 0.610 -7.828 -6.475 1.00 0.84 O ATOM 1126 CB GLN A 125 2.200 -5.880 -5.068 1.00 0.69 C ATOM 1127 CG GLN A 125 0.994 -4.961 -4.832 1.00 1.56 C ATOM 1128 CD GLN A 125 -0.077 -5.220 -5.897 1.00 2.18 C ATOM 1129 OE1 GLN A 125 -1.123 -5.762 -5.603 1.00 2.78 O ATOM 1130 NE2 GLN A 125 0.143 -4.851 -7.129 1.00 2.82 N ATOM 0 H GLN A 125 3.779 -7.797 -5.405 1.00 0.53 H new ATOM 0 HA GLN A 125 1.668 -7.221 -3.465 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.082 -5.470 -4.576 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.425 -5.931 -6.133 1.00 0.69 H new ATOM 0 HG2 GLN A 125 0.581 -5.137 -3.839 1.00 1.56 H new ATOM 0 HG3 GLN A 125 1.309 -3.918 -4.867 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.022 -4.396 -7.376 1.00 2.82 H new ATOM 0 HE22 GLN A 125 -0.564 -5.018 -7.845 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.200 -8.494 -4.542 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.396 -9.107 -5.190 1.00 0.72 C ATOM 1141 C ASN A 126 -2.508 -9.244 -4.149 1.00 0.69 C ATOM 1142 O ASN A 126 -2.633 -10.248 -3.484 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.036 -10.490 -5.737 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.063 -10.340 -6.908 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.431 -9.858 -7.961 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.173 -10.735 -6.768 1.00 0.88 N ATOM 0 H ASN A 126 -0.166 -8.583 -3.526 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.732 -8.475 -6.012 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.585 -11.097 -4.952 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.937 -11.009 -6.064 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.830 -10.639 -7.542 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.482 -11.140 -5.884 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.300 -8.227 -3.984 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.391 -8.285 -2.973 1.00 0.61 C ATOM 1155 C TYR A 127 -5.521 -9.216 -3.436 1.00 0.63 C ATOM 1156 O TYR A 127 -5.641 -9.537 -4.601 1.00 0.75 O ATOM 1157 CB TYR A 127 -4.941 -6.873 -2.749 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.822 -5.860 -2.904 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -2.609 -6.045 -2.228 1.00 0.98 C ATOM 1160 CD2 TYR A 127 -3.997 -4.739 -3.728 1.00 0.93 C ATOM 1161 CE1 TYR A 127 -1.575 -5.110 -2.373 1.00 1.19 C ATOM 1162 CE2 TYR A 127 -2.962 -3.806 -3.872 1.00 1.14 C ATOM 1163 CZ TYR A 127 -1.752 -3.991 -3.195 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.732 -3.072 -3.337 1.00 1.48 O ATOM 0 H TYR A 127 -3.240 -7.353 -4.507 1.00 0.69 H new ATOM 0 HA TYR A 127 -3.987 -8.681 -2.041 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.736 -6.664 -3.465 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.379 -6.796 -1.754 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -2.471 -6.909 -1.595 1.00 0.98 H new ATOM 0 HD2 TYR A 127 -4.930 -4.595 -4.252 1.00 0.93 H new ATOM 0 HE1 TYR A 127 -0.641 -5.253 -1.850 1.00 1.19 H new ATOM 0 HE2 TYR A 127 -3.098 -2.943 -4.507 1.00 1.14 H new ATOM 0 HH TYR A 127 -1.018 -2.357 -3.943 1.00 1.48 H new ATOM 1174 N THR A 128 -6.362 -9.633 -2.521 1.00 0.62 N ATOM 1175 CA THR A 128 -7.500 -10.523 -2.892 1.00 0.68 C ATOM 1176 C THR A 128 -8.540 -9.714 -3.690 1.00 0.75 C ATOM 1177 O THR A 128 -8.754 -8.551 -3.411 1.00 0.97 O ATOM 1178 CB THR A 128 -8.162 -11.058 -1.617 1.00 0.86 C ATOM 1179 OG1 THR A 128 -8.577 -9.964 -0.809 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.170 -11.920 -0.834 1.00 0.90 C ATOM 0 H THR A 128 -6.307 -9.393 -1.531 1.00 0.62 H new ATOM 0 HA THR A 128 -7.131 -11.352 -3.495 1.00 0.68 H new ATOM 0 HB THR A 128 -9.025 -11.665 -1.889 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.002 -10.302 0.006 1.00 1.22 H new ATOM 0 HG21 THR A 128 -7.649 -12.296 0.070 1.00 0.90 H new ATOM 0 HG22 THR A 128 -6.851 -12.760 -1.452 1.00 0.90 H new ATOM 0 HG23 THR A 128 -6.302 -11.320 -0.562 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.893 -5.489 1.327 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.008 -6.476 0.639 1.00 0.49 C ATOM 1251 C ARG A 134 -7.757 -6.738 1.483 1.00 0.40 C ATOM 1252 O ARG A 134 -7.031 -5.824 1.861 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.605 -5.947 -0.753 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.533 -4.406 -0.733 1.00 1.06 C ATOM 1255 CD ARG A 134 -7.450 -3.900 -1.702 1.00 1.37 C ATOM 1256 NE ARG A 134 -6.130 -4.585 -1.452 1.00 1.86 N ATOM 1257 CZ ARG A 134 -5.567 -4.630 -0.265 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -6.033 -3.938 0.725 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -4.491 -5.343 -0.085 1.00 3.36 N ATOM 0 HA ARG A 134 -9.553 -7.412 0.516 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -7.639 -6.360 -1.042 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -9.328 -6.276 -1.499 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -9.501 -3.988 -1.011 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -8.315 -4.060 0.277 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -7.766 -4.078 -2.730 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -7.331 -2.823 -1.588 1.00 1.37 H new ATOM 0 HE ARG A 134 -5.655 -5.032 -2.236 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -6.851 -3.344 0.592 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -5.582 -3.987 1.638 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -4.088 -5.864 -0.864 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -4.052 -5.380 0.835 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.512 -7.995 1.765 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.323 -8.400 2.566 1.00 0.39 C ATOM 1275 C TYR A 135 -5.173 -8.724 1.601 1.00 0.36 C ATOM 1276 O TYR A 135 -5.409 -9.150 0.487 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.675 -9.658 3.378 1.00 0.46 C ATOM 1278 CG TYR A 135 -7.777 -9.339 4.363 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.081 -9.108 3.907 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.495 -9.272 5.735 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.101 -8.812 4.818 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.516 -8.975 6.646 1.00 0.85 C ATOM 1283 CZ TYR A 135 -9.818 -8.745 6.188 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.825 -8.451 7.086 1.00 1.17 O ATOM 0 H TYR A 135 -8.102 -8.771 1.465 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.028 -7.598 3.242 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -6.993 -10.457 2.708 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -5.794 -10.018 3.908 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.300 -9.158 2.851 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.490 -9.449 6.089 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.106 -8.635 4.465 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.298 -8.923 7.703 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.461 -8.445 7.996 1.00 1.17 H new ATOM 1294 N PRO A 136 -3.941 -8.544 2.009 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.766 -8.846 1.137 1.00 0.38 C ATOM 1296 C PRO A 136 -2.514 -10.358 1.033 1.00 0.37 C ATOM 1297 O PRO A 136 -2.397 -11.042 2.030 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.607 -8.145 1.852 1.00 0.42 C ATOM 1299 CG PRO A 136 -1.995 -8.153 3.297 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.522 -8.032 3.328 1.00 0.44 C ATOM 0 HA PRO A 136 -2.906 -8.507 0.111 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.666 -8.671 1.691 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.471 -7.128 1.484 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.667 -9.072 3.783 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.528 -7.325 3.831 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -3.954 -8.617 4.140 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.839 -7.000 3.476 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.431 -10.887 -0.160 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.188 -12.352 -0.297 1.00 0.43 C ATOM 1310 C LEU A 137 -0.836 -12.694 0.331 1.00 0.41 C ATOM 1311 O LEU A 137 -0.740 -13.542 1.197 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.171 -12.754 -1.779 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.578 -12.617 -2.394 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.504 -12.766 -3.933 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.521 -13.701 -1.831 1.00 0.92 C ATOM 0 H LEU A 137 -2.520 -10.373 -1.037 1.00 0.40 H new ATOM 0 HA LEU A 137 -2.987 -12.895 0.208 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.467 -12.125 -2.324 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.823 -13.782 -1.879 1.00 0.51 H new ATOM 0 HG LEU A 137 -3.966 -11.631 -2.138 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.503 -12.668 -4.357 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.858 -11.990 -4.343 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.098 -13.746 -4.185 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.510 -13.590 -2.276 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.125 -14.688 -2.070 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.595 -13.592 -0.749 1.00 0.92 H new ATOM 1327 N THR A 138 0.208 -12.042 -0.097 1.00 0.50 N ATOM 1328 CA THR A 138 1.550 -12.332 0.478 1.00 0.55 C ATOM 1329 C THR A 138 1.552 -11.951 1.958 1.00 0.47 C ATOM 1330 O THR A 138 0.792 -11.111 2.396 1.00 0.50 O ATOM 1331 CB THR A 138 2.619 -11.529 -0.279 1.00 0.73 C ATOM 1332 OG1 THR A 138 2.076 -10.276 -0.671 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.062 -12.305 -1.520 1.00 1.04 C ATOM 0 H THR A 138 0.190 -11.322 -0.819 1.00 0.50 H new ATOM 0 HA THR A 138 1.775 -13.394 0.380 1.00 0.55 H new ATOM 0 HB THR A 138 3.479 -11.367 0.370 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.179 -10.163 -1.639 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.820 -11.733 -2.055 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.478 -13.266 -1.219 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.204 -12.469 -2.172 1.00 1.04 H new ATOM 1341 N PHE A 139 2.394 -12.580 2.731 1.00 0.51 N ATOM 1342 CA PHE A 139 2.447 -12.282 4.194 1.00 0.49 C ATOM 1343 C PHE A 139 3.565 -11.279 4.489 1.00 0.65 C ATOM 1344 O PHE A 139 4.457 -11.070 3.693 1.00 1.43 O ATOM 1345 CB PHE A 139 2.710 -13.587 4.955 1.00 0.52 C ATOM 1346 CG PHE A 139 2.497 -13.378 6.441 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.236 -13.004 6.925 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.560 -13.564 7.337 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.040 -12.819 8.295 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.360 -13.377 8.710 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.099 -13.006 9.188 1.00 0.66 C ATOM 0 H PHE A 139 3.052 -13.292 2.412 1.00 0.51 H new ATOM 0 HA PHE A 139 1.498 -11.849 4.512 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.044 -14.369 4.591 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.730 -13.925 4.770 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.415 -12.859 6.238 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.533 -13.852 6.968 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.067 -12.531 8.666 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.179 -13.519 9.400 1.00 0.62 H new ATOM 0 HZ PHE A 139 1.943 -12.864 10.247 1.00 0.66 H new ATOM 1361 N GLY A 140 3.512 -10.652 5.635 1.00 0.46 N ATOM 1362 CA GLY A 140 4.558 -9.655 6.013 1.00 0.43 C ATOM 1363 C GLY A 140 4.047 -8.248 5.716 1.00 0.35 C ATOM 1364 O GLY A 140 4.238 -7.328 6.488 1.00 0.32 O ATOM 0 H GLY A 140 2.781 -10.790 6.333 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.801 -9.750 7.071 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.476 -9.846 5.457 1.00 0.43 H new ATOM 1368 N TRP A 141 3.388 -8.077 4.607 1.00 0.34 N ATOM 1369 CA TRP A 141 2.848 -6.731 4.257 1.00 0.29 C ATOM 1370 C TRP A 141 1.601 -6.486 5.103 1.00 0.32 C ATOM 1371 O TRP A 141 0.527 -6.965 4.808 1.00 0.40 O ATOM 1372 CB TRP A 141 2.523 -6.703 2.759 1.00 0.33 C ATOM 1373 CG TRP A 141 2.204 -5.314 2.278 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.099 -4.999 1.561 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.963 -4.065 2.423 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.123 -3.652 1.260 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.244 -3.031 1.768 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.183 -3.720 3.048 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.712 -1.717 1.734 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.653 -2.396 3.012 1.00 0.31 C ATOM 1381 CH2 TRP A 141 3.920 -1.400 2.358 1.00 0.33 C ATOM 0 H TRP A 141 3.198 -8.811 3.925 1.00 0.34 H new ATOM 0 HA TRP A 141 3.574 -5.944 4.462 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.370 -7.096 2.197 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.676 -7.359 2.559 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.323 -5.691 1.271 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.398 -3.173 0.726 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.758 -4.479 3.557 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.144 -0.950 1.228 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.587 -2.146 3.493 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.289 -0.385 2.336 1.00 0.33 H new ATOM 1392 N CYS A 142 1.759 -5.776 6.186 1.00 0.31 N ATOM 1393 CA CYS A 142 0.613 -5.525 7.106 1.00 0.40 C ATOM 1394 C CYS A 142 -0.229 -4.332 6.658 1.00 0.39 C ATOM 1395 O CYS A 142 -0.582 -3.488 7.457 1.00 0.48 O ATOM 1396 CB CYS A 142 1.165 -5.248 8.493 1.00 0.47 C ATOM 1397 SG CYS A 142 2.156 -6.660 9.041 1.00 1.45 S ATOM 0 H CYS A 142 2.642 -5.355 6.476 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.030 -6.405 7.103 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.775 -4.345 8.479 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.348 -5.070 9.192 1.00 0.47 H new ATOM 0 HG CYS A 142 2.995 -6.990 8.105 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.565 -4.257 5.400 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.405 -3.114 4.900 1.00 0.40 C ATOM 1405 C TYR A 143 -2.749 -3.668 4.393 1.00 0.43 C ATOM 1406 O TYR A 143 -2.790 -4.539 3.548 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.658 -2.412 3.748 1.00 0.55 C ATOM 1408 CG TYR A 143 0.117 -1.218 4.267 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.558 -0.030 4.564 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.504 -1.297 4.441 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.154 1.081 5.034 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.214 -0.186 4.909 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.540 1.002 5.206 1.00 3.52 C ATOM 1414 OH TYR A 143 2.242 2.097 5.666 1.00 4.57 O ATOM 0 H TYR A 143 -0.297 -4.937 4.689 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.588 -2.398 5.701 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.023 -3.114 3.267 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.370 -2.089 2.989 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.628 0.031 4.431 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.026 -2.215 4.214 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.367 1.999 5.264 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.284 -0.246 5.041 1.00 3.14 H new ATOM 0 HH TYR A 143 3.194 1.872 5.729 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.843 -3.157 4.905 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.199 -3.633 4.462 1.00 0.51 C ATOM 1426 C LYS A 144 -6.054 -2.417 4.102 1.00 0.43 C ATOM 1427 O LYS A 144 -6.239 -1.524 4.906 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.872 -4.397 5.606 1.00 0.70 C ATOM 1429 CG LYS A 144 -7.178 -5.018 5.110 1.00 1.21 C ATOM 1430 CD LYS A 144 -7.725 -5.975 6.173 1.00 1.24 C ATOM 1431 CE LYS A 144 -7.919 -5.231 7.498 1.00 1.57 C ATOM 1432 NZ LYS A 144 -8.435 -3.858 7.233 1.00 2.32 N ATOM 0 H LYS A 144 -3.858 -2.426 5.616 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.095 -4.290 3.598 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.206 -5.175 5.978 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.071 -3.723 6.439 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -7.908 -4.236 4.899 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -7.007 -5.554 4.177 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -8.674 -6.397 5.841 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -7.037 -6.809 6.312 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -8.617 -5.776 8.133 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.973 -5.177 8.037 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -8.939 -3.508 8.073 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -7.639 -3.224 7.017 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -9.088 -3.883 6.424 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.583 -2.363 2.905 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.424 -1.179 2.530 1.00 0.37 C ATOM 1448 C LEU A 145 -8.842 -1.375 3.069 1.00 0.38 C ATOM 1449 O LEU A 145 -9.358 -2.479 3.109 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.457 -0.992 1.000 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.183 -0.248 0.526 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.842 -0.645 -0.918 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.407 1.274 0.598 1.00 0.52 C ATOM 0 H LEU A 145 -6.473 -3.073 2.181 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.987 -0.282 2.969 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.524 -1.963 0.509 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.345 -0.428 0.714 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.355 -0.525 1.178 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.945 -0.115 -1.239 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.666 -1.720 -0.968 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.672 -0.382 -1.573 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.507 1.790 0.263 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -7.244 1.549 -0.044 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.629 1.561 1.626 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.468 -0.299 3.472 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.853 -0.363 4.022 1.00 0.50 C ATOM 1467 C VAL A 146 -11.471 1.039 3.868 1.00 0.59 C ATOM 1468 O VAL A 146 -10.811 2.026 4.125 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.796 -0.714 5.528 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.207 -0.763 6.136 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -10.128 -2.079 5.736 1.00 0.56 C ATOM 0 H VAL A 146 -9.068 0.639 3.442 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.439 -1.118 3.498 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.215 0.064 6.023 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.138 -1.012 7.195 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.686 0.209 6.022 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.798 -1.521 5.623 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -10.096 -2.310 6.801 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.700 -2.847 5.215 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -9.113 -2.051 5.340 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.717 1.148 3.457 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.372 2.480 3.292 1.00 0.81 C ATOM 1483 C PRO A 147 -13.623 3.152 4.648 1.00 0.91 C ATOM 1484 O PRO A 147 -13.430 2.558 5.689 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.692 2.156 2.574 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.990 0.736 2.933 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.634 0.044 3.108 1.00 0.75 C ATOM 0 HA PRO A 147 -12.754 3.183 2.734 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.492 2.821 2.899 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.595 2.278 1.495 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.576 0.681 3.851 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.576 0.252 2.152 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.669 -0.711 3.894 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -13.322 -0.461 2.194 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.615 4.469 -0.825 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.171 3.525 0.260 1.00 0.52 C ATOM 1782 C LEU A 181 -8.900 4.042 0.936 1.00 0.47 C ATOM 1783 O LEU A 181 -8.044 4.612 0.300 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.881 2.152 -0.358 1.00 0.60 C ATOM 1785 CG LEU A 181 -11.094 1.661 -1.172 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.647 0.591 -2.171 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.146 1.059 -0.233 1.00 0.87 C ATOM 0 HA LEU A 181 -10.963 3.449 1.005 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -9.004 2.214 -1.002 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.648 1.434 0.429 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.524 2.508 -1.706 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.508 0.246 -2.744 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.905 1.013 -2.849 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.210 -0.250 -1.632 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -13.000 0.715 -0.816 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.712 0.217 0.307 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.475 1.816 0.479 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.774 3.841 2.228 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.553 4.311 2.967 1.00 0.45 C ATOM 1801 C GLU A 182 -6.694 3.127 3.397 1.00 0.42 C ATOM 1802 O GLU A 182 -7.184 2.074 3.753 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.978 5.099 4.208 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.000 4.284 5.003 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.310 4.999 6.319 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.114 6.201 6.377 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -9.739 4.332 7.247 1.00 1.49 O ATOM 0 H GLU A 182 -9.468 3.369 2.807 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.970 4.947 2.301 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.109 5.318 4.829 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.409 6.056 3.914 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.913 4.159 4.421 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.610 3.286 5.202 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.403 3.311 3.363 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.468 2.228 3.762 1.00 0.38 C ATOM 1816 C TRP A 183 -4.524 2.065 5.286 1.00 0.37 C ATOM 1817 O TRP A 183 -4.130 2.945 6.025 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.040 2.623 3.327 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.753 2.136 1.940 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.544 0.843 1.600 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.626 2.909 0.711 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.294 0.773 0.241 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.335 2.021 -0.352 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.734 4.282 0.419 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.155 2.480 -1.658 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.554 4.746 -0.895 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.264 3.846 -1.931 1.00 0.41 C ATOM 0 H TRP A 183 -4.953 4.179 3.071 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.745 1.287 3.287 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.929 3.707 3.367 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.314 2.203 4.023 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.568 0.003 2.278 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.103 -0.094 -0.262 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.957 4.983 1.210 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.933 1.783 -2.453 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.639 5.801 -1.108 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.125 4.209 -2.939 1.00 0.41 H new ATOM 1838 N ARG A 184 -5.010 0.947 5.763 1.00 0.35 N ATOM 1839 CA ARG A 184 -5.088 0.734 7.240 1.00 0.35 C ATOM 1840 C ARG A 184 -3.839 -0.004 7.717 1.00 0.31 C ATOM 1841 O ARG A 184 -3.726 -1.208 7.598 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.326 -0.097 7.578 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.547 -0.077 9.098 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.777 -0.935 9.477 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.629 -0.202 10.470 1.00 1.57 N ATOM 1846 CZ ARG A 184 -8.104 0.387 11.516 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -6.832 0.268 11.776 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -8.867 1.076 12.320 1.00 2.61 N ATOM 0 H ARG A 184 -5.356 0.174 5.195 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.154 1.701 7.738 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.200 0.305 7.066 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.197 -1.122 7.231 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.660 -0.457 9.606 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.693 0.949 9.437 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.360 -1.164 8.585 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.451 -1.886 9.898 1.00 1.51 H new ATOM 0 HE ARG A 184 -9.638 -0.161 10.328 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -6.236 -0.288 11.163 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -6.433 0.731 12.593 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -9.867 1.154 12.133 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -8.464 1.537 13.136 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.900 0.717 8.256 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.643 0.083 8.751 1.00 0.31 C ATOM 1864 C PHE A 185 -1.951 -0.789 9.976 1.00 0.31 C ATOM 1865 O PHE A 185 -2.664 -0.383 10.873 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.672 1.203 9.133 1.00 0.40 C ATOM 1867 CG PHE A 185 0.641 0.642 9.632 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.745 0.133 10.932 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.764 0.654 8.796 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.971 -0.367 11.392 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.987 0.161 9.255 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.092 -0.351 10.552 1.00 0.71 C ATOM 0 H PHE A 185 -2.947 1.729 8.377 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.203 -0.550 7.980 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.492 1.843 8.269 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -1.120 1.829 9.905 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.119 0.126 11.580 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.684 1.046 7.793 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.051 -0.764 12.393 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.852 0.175 8.608 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.038 -0.734 10.906 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.430 -1.990 10.017 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.703 -2.892 11.172 1.00 0.32 C ATOM 1884 C ASP A 186 -0.549 -3.897 11.325 1.00 0.30 C ATOM 1885 O ASP A 186 -0.732 -5.091 11.198 1.00 0.32 O ATOM 1886 CB ASP A 186 -3.006 -3.635 10.885 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.610 -4.172 12.186 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.450 -3.524 13.207 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.226 -5.224 12.137 1.00 1.23 O ATOM 0 H ASP A 186 -0.825 -2.384 9.296 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.789 -2.320 12.096 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.714 -2.966 10.397 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.819 -4.459 10.196 1.00 0.37 H new ATOM 1894 N SER A 187 0.637 -3.405 11.582 1.00 0.33 N ATOM 1895 CA SER A 187 1.837 -4.291 11.729 1.00 0.34 C ATOM 1896 C SER A 187 1.534 -5.547 12.557 1.00 0.35 C ATOM 1897 O SER A 187 2.333 -6.461 12.602 1.00 0.37 O ATOM 1898 CB SER A 187 2.950 -3.506 12.423 1.00 0.40 C ATOM 1899 OG SER A 187 2.424 -2.866 13.579 1.00 1.32 O ATOM 0 H SER A 187 0.829 -2.410 11.698 1.00 0.33 H new ATOM 0 HA SER A 187 2.138 -4.610 10.731 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.763 -4.176 12.703 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.367 -2.765 11.741 1.00 0.40 H new ATOM 0 HG SER A 187 3.159 -2.498 14.112 1.00 1.32 H new ATOM 1905 N ARG A 188 0.414 -5.619 13.222 1.00 0.40 N ATOM 1906 CA ARG A 188 0.139 -6.841 14.032 1.00 0.46 C ATOM 1907 C ARG A 188 0.052 -8.055 13.102 1.00 0.42 C ATOM 1908 O ARG A 188 0.399 -9.159 13.469 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.172 -6.672 14.817 1.00 0.58 C ATOM 1910 CG ARG A 188 -2.381 -6.832 13.888 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.650 -6.399 14.626 1.00 1.75 C ATOM 1912 NE ARG A 188 -4.848 -6.848 13.862 1.00 2.37 N ATOM 1913 CZ ARG A 188 -6.017 -6.877 14.440 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -6.136 -6.529 15.693 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -7.069 -7.260 13.767 1.00 3.87 N ATOM 0 H ARG A 188 -0.310 -4.901 13.241 1.00 0.40 H new ATOM 0 HA ARG A 188 0.948 -6.993 14.746 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.221 -7.411 15.617 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.196 -5.689 15.288 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.246 -6.229 12.990 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -2.471 -7.869 13.565 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.664 -6.826 15.629 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.664 -5.315 14.741 1.00 1.75 H new ATOM 0 HE ARG A 188 -4.754 -7.133 12.887 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -5.314 -6.234 16.221 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -7.051 -6.552 16.144 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -6.976 -7.536 12.790 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -7.983 -7.283 14.219 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.398 -7.851 11.894 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.499 -8.982 10.932 1.00 0.46 C ATOM 1931 C LEU A 189 0.898 -9.543 10.666 1.00 0.41 C ATOM 1932 O LEU A 189 1.072 -10.457 9.885 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.109 -8.486 9.616 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.610 -8.206 9.797 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.140 -7.510 8.539 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.385 -9.522 10.030 1.00 1.78 C ATOM 0 H LEU A 189 -0.701 -6.947 11.532 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.134 -9.762 11.352 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.600 -7.579 9.290 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.963 -9.232 8.835 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.752 -7.566 10.667 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.204 -7.307 8.657 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.606 -6.572 8.390 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.987 -8.156 7.674 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.445 -9.302 10.156 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -3.250 -10.181 9.172 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.007 -10.013 10.927 1.00 1.78 H new ATOM 1948 N ALA A 190 1.898 -9.009 11.315 1.00 0.37 N ATOM 1949 CA ALA A 190 3.277 -9.523 11.099 1.00 0.42 C ATOM 1950 C ALA A 190 3.402 -10.874 11.796 1.00 0.44 C ATOM 1951 O ALA A 190 4.367 -11.592 11.623 1.00 0.53 O ATOM 1952 CB ALA A 190 4.291 -8.541 11.693 1.00 0.47 C ATOM 0 H ALA A 190 1.818 -8.242 11.983 1.00 0.37 H new ATOM 0 HA ALA A 190 3.474 -9.632 10.033 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.301 -8.920 11.534 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.186 -7.571 11.207 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.109 -8.432 12.762 1.00 0.47 H new ATOM 1958 N PHE A 191 2.413 -11.230 12.576 1.00 0.42 N ATOM 1959 CA PHE A 191 2.437 -12.546 13.288 1.00 0.51 C ATOM 1960 C PHE A 191 1.034 -13.158 13.244 1.00 0.56 C ATOM 1961 O PHE A 191 0.864 -14.333 12.989 1.00 0.96 O ATOM 1962 CB PHE A 191 2.884 -12.343 14.741 1.00 0.58 C ATOM 1963 CG PHE A 191 1.797 -11.652 15.532 1.00 1.14 C ATOM 1964 CD1 PHE A 191 0.806 -12.410 16.166 1.00 1.98 C ATOM 1965 CD2 PHE A 191 1.782 -10.256 15.634 1.00 1.81 C ATOM 1966 CE1 PHE A 191 -0.200 -11.774 16.902 1.00 2.87 C ATOM 1967 CE2 PHE A 191 0.776 -9.619 16.370 1.00 2.75 C ATOM 1968 CZ PHE A 191 -0.215 -10.378 17.005 1.00 3.15 C ATOM 0 H PHE A 191 1.584 -10.662 12.752 1.00 0.42 H new ATOM 0 HA PHE A 191 3.142 -13.219 12.801 1.00 0.51 H new ATOM 0 HB2 PHE A 191 3.117 -13.306 15.195 1.00 0.58 H new ATOM 0 HB3 PHE A 191 3.797 -11.748 14.768 1.00 0.58 H new ATOM 0 HD1 PHE A 191 0.818 -13.487 16.087 1.00 1.98 H new ATOM 0 HD2 PHE A 191 2.546 -9.670 15.145 1.00 1.81 H new ATOM 0 HE1 PHE A 191 -0.965 -12.360 17.390 1.00 2.87 H new ATOM 0 HE2 PHE A 191 0.764 -8.542 16.448 1.00 2.75 H new ATOM 0 HZ PHE A 191 -0.990 -9.887 17.574 1.00 3.15 H new ATOM 1978 N HIS A 192 0.026 -12.361 13.479 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.368 -12.887 13.440 1.00 0.72 C ATOM 1980 C HIS A 192 -1.766 -13.123 11.982 1.00 0.67 C ATOM 1981 O HIS A 192 -2.151 -12.210 11.280 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.318 -11.864 14.072 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.744 -12.308 13.879 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.122 -13.638 13.969 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -4.892 -11.609 13.596 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.448 -13.698 13.744 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -5.967 -12.489 13.511 1.00 3.35 N ATOM 0 H HIS A 192 0.109 -11.368 13.696 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.428 -13.823 13.996 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.100 -11.759 15.135 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.167 -10.885 13.618 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -4.951 -10.539 13.460 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -6.023 -14.612 13.751 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -6.941 -12.260 13.313 1.00 3.35 H new ATOM 1995 N HIS A 193 -1.671 -14.338 11.519 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.040 -14.620 10.106 1.00 0.85 C ATOM 1997 C HIS A 193 -3.564 -14.610 9.959 1.00 0.74 C ATOM 1998 O HIS A 193 -4.221 -15.622 10.100 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.478 -15.982 9.691 1.00 1.28 C ATOM 2000 CG HIS A 193 -0.099 -16.154 10.268 1.00 2.09 C ATOM 2001 ND1 HIS A 193 0.109 -16.589 11.568 1.00 2.84 N ATOM 2002 CD2 HIS A 193 1.150 -15.959 9.733 1.00 2.99 C ATOM 2003 CE1 HIS A 193 1.440 -16.641 11.769 1.00 3.75 C ATOM 2004 NE2 HIS A 193 2.120 -16.267 10.683 1.00 3.87 N ATOM 0 H HIS A 193 -1.355 -15.145 12.057 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.618 -13.850 9.459 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.133 -16.780 10.042 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -1.441 -16.056 8.604 1.00 1.28 H new ATOM 0 HD2 HIS A 193 1.350 -15.618 8.728 1.00 2.99 H new ATOM 0 HE1 HIS A 193 1.901 -16.948 12.696 1.00 3.75 H new ATOM 0 HE2 HIS A 193 3.133 -16.217 10.573 1.00 3.87 H new ATOM 2012 N MET A 194 -4.126 -13.466 9.674 1.00 0.73 N ATOM 2013 CA MET A 194 -5.604 -13.374 9.513 1.00 0.79 C ATOM 2014 C MET A 194 -5.993 -13.867 8.117 1.00 0.75 C ATOM 2015 O MET A 194 -6.869 -14.694 7.963 1.00 0.90 O ATOM 2016 CB MET A 194 -6.043 -11.915 9.686 1.00 0.91 C ATOM 2017 CG MET A 194 -7.551 -11.859 9.942 1.00 1.47 C ATOM 2018 SD MET A 194 -8.046 -10.149 10.267 1.00 2.35 S ATOM 2019 CE MET A 194 -9.815 -10.366 9.954 1.00 2.94 C ATOM 0 H MET A 194 -3.622 -12.589 9.545 1.00 0.73 H new ATOM 0 HA MET A 194 -6.096 -13.992 10.265 1.00 0.79 H new ATOM 0 HB2 MET A 194 -5.506 -11.459 10.518 1.00 0.91 H new ATOM 0 HB3 MET A 194 -5.794 -11.342 8.793 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.092 -12.247 9.079 1.00 1.47 H new ATOM 0 HG3 MET A 194 -7.810 -12.491 10.791 1.00 1.47 H new ATOM 0 HE1 MET A 194 -10.329 -9.416 10.099 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.964 -10.707 8.929 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.219 -11.106 10.645 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.343 -13.370 7.097 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.676 -13.814 5.712 1.00 0.76 C ATOM 2031 C ALA A 195 -5.734 -15.343 5.673 1.00 0.90 C ATOM 2032 O ALA A 195 -6.338 -15.933 4.799 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.598 -13.321 4.745 1.00 0.82 C ATOM 0 H ALA A 195 -4.597 -12.677 7.163 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.642 -13.403 5.418 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.841 -13.645 3.733 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.552 -12.232 4.776 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.632 -13.734 5.036 1.00 0.82 H new