USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 796 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 NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.15 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.321 USER MOD Single : A 15 GLN : amide:sc= -0.39 X(o=-0.39,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -140:sc= -2.08 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -160:sc= -0.385 USER MOD Single : A 49 SER OG : rot 25:sc= 0.674 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -160:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= 0.724 K(o=0.72,f=-3!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 136:sc= -4.29! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 153:sc= -0.102 (180deg=-0.567) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -55:sc= 1.15 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -151:sc= 1.75 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 HEM CMA :methyl 150:sc= -0.221 (180deg=-0.221) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -4.69! (180deg=-9.54!) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -2.22! (180deg=-5.11!) USER MOD Single : A 233 HEM CMD :methyl -30:sc= -5.83! (180deg=-7.62!) USER MOD Single : A 251 HEM CMA :methyl 150:sc= -0.814 (180deg=-0.814) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -0.0305 (180deg=-0.477) USER MOD Single : A 251 HEM CMC :methyl 150:sc= -5.14! (180deg=-5.14!) USER MOD Single : A 251 HEM CMD :methyl -30:sc= -0.186 (180deg=-0.379) USER MOD Single : A 282 HEM CMA :methyl -30:sc= -1.83! (180deg=-1.92!) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -1.76 (180deg=-4.17!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -7.59! (180deg=-8.7!) USER MOD Single : A 282 HEM CMD :methyl 150:sc= -0.148 (180deg=-0.148) USER MOD Single : A 305 HEM CMA :methyl 150:sc= -0.26 (180deg=-0.26) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.978 (180deg=-0.978) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -7.57! (180deg=-9.61!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.338 (180deg=-0.528) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.780 15.621 -11.593 1.00 1.00 N ATOM 2 CA ALA A 1 2.407 14.399 -11.117 1.00 1.00 C ATOM 3 C ALA A 1 2.898 13.583 -12.314 1.00 1.00 C ATOM 4 O ALA A 1 2.744 13.966 -13.472 1.00 1.00 O ATOM 5 CB ALA A 1 1.415 13.622 -10.249 1.00 1.00 C ATOM 0 H1 ALA A 1 2.307 16.443 -11.236 1.00 1.00 H new ATOM 0 H2 ALA A 1 1.785 15.631 -12.633 1.00 1.00 H new ATOM 0 H3 ALA A 1 0.799 15.664 -11.251 1.00 1.00 H new ATOM 0 HA ALA A 1 3.274 14.628 -10.497 1.00 1.00 H new ATOM 0 HB1 ALA A 1 1.884 12.705 -9.892 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.120 14.234 -9.397 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.533 13.372 -10.839 1.00 1.00 H new ATOM 11 N PRO A 2 3.501 12.433 -12.003 1.00 1.00 N ATOM 12 CA PRO A 2 4.040 11.507 -12.975 1.00 1.00 C ATOM 13 C PRO A 2 2.900 10.787 -13.681 1.00 1.00 C ATOM 14 O PRO A 2 1.827 10.653 -13.094 1.00 1.00 O ATOM 15 CB PRO A 2 4.882 10.529 -12.159 1.00 1.00 C ATOM 16 CG PRO A 2 4.994 11.147 -10.707 1.00 1.00 C ATOM 17 CD PRO A 2 3.698 11.953 -10.653 1.00 1.00 C ATOM 0 HA PRO A 2 4.632 11.999 -13.746 1.00 1.00 H new ATOM 0 HB2 PRO A 2 4.415 9.545 -12.128 1.00 1.00 H new ATOM 0 HB3 PRO A 2 5.869 10.399 -12.604 1.00 1.00 H new ATOM 0 HG2 PRO A 2 5.040 10.382 -9.932 1.00 1.00 H new ATOM 0 HG3 PRO A 2 5.878 11.773 -10.589 1.00 1.00 H new ATOM 0 HD2 PRO A 2 2.861 11.334 -10.328 1.00 1.00 H new ATOM 0 HD3 PRO A 2 3.776 12.780 -9.947 1.00 1.00 H new ATOM 25 N ALA A 3 3.144 10.346 -14.906 1.00 1.00 N ATOM 26 CA ALA A 3 2.122 9.647 -15.668 1.00 1.00 C ATOM 27 C ALA A 3 1.789 8.325 -14.973 1.00 1.00 C ATOM 28 O ALA A 3 2.666 7.487 -14.773 1.00 1.00 O ATOM 29 CB ALA A 3 2.606 9.444 -17.105 1.00 1.00 C ATOM 0 H ALA A 3 4.035 10.459 -15.390 1.00 1.00 H new ATOM 0 HA ALA A 3 1.206 10.236 -15.713 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.840 8.920 -17.676 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.801 10.413 -17.564 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.522 8.854 -17.100 1.00 1.00 H new ATOM 35 N VAL A 4 0.519 8.181 -14.625 1.00 1.00 N ATOM 36 CA VAL A 4 0.059 6.976 -13.956 1.00 1.00 C ATOM 37 C VAL A 4 0.257 5.775 -14.884 1.00 1.00 C ATOM 38 O VAL A 4 -0.264 5.716 -15.995 1.00 1.00 O ATOM 39 CB VAL A 4 -1.393 7.149 -13.506 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.348 7.097 -14.700 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.770 6.101 -12.456 1.00 1.00 C ATOM 0 H VAL A 4 -0.206 8.879 -14.794 1.00 1.00 H new ATOM 0 HA VAL A 4 0.645 6.792 -13.056 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.486 8.133 -13.046 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.373 7.223 -14.352 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -2.101 7.897 -15.398 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.251 6.134 -15.202 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.807 6.246 -12.153 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.652 5.103 -12.879 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -1.120 6.206 -11.587 1.00 1.00 H new ATOM 51 N PRO A 5 1.035 4.807 -14.396 1.00 1.00 N ATOM 52 CA PRO A 5 1.356 3.584 -15.101 1.00 1.00 C ATOM 53 C PRO A 5 0.162 2.641 -15.055 1.00 1.00 C ATOM 54 O PRO A 5 -0.321 2.346 -13.963 1.00 1.00 O ATOM 55 CB PRO A 5 2.546 2.997 -14.345 1.00 1.00 C ATOM 56 CG PRO A 5 2.388 3.505 -12.967 1.00 1.00 C ATOM 57 CD PRO A 5 1.665 4.844 -13.093 1.00 1.00 C ATOM 0 HA PRO A 5 1.592 3.749 -16.152 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.536 1.907 -14.371 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.492 3.317 -14.781 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.814 2.807 -12.357 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.357 3.629 -12.483 1.00 1.00 H new ATOM 0 HD2 PRO A 5 0.927 4.970 -12.301 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.362 5.678 -13.015 1.00 1.00 H new ATOM 65 N ASP A 6 -0.285 2.193 -16.219 1.00 1.00 N ATOM 66 CA ASP A 6 -1.421 1.289 -16.287 1.00 1.00 C ATOM 67 C ASP A 6 -0.927 -0.153 -16.158 1.00 1.00 C ATOM 68 O ASP A 6 -1.682 -1.095 -16.396 1.00 1.00 O ATOM 69 CB ASP A 6 -2.151 1.421 -17.625 1.00 1.00 C ATOM 70 CG ASP A 6 -1.429 0.795 -18.820 1.00 1.00 C ATOM 71 OD1 ASP A 6 -1.522 -0.419 -19.057 1.00 1.00 O ATOM 72 OD2 ASP A 6 -0.738 1.618 -19.533 1.00 1.00 O ATOM 0 H ASP A 6 0.119 2.439 -17.123 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.104 1.544 -15.477 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.135 0.961 -17.532 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.312 2.479 -17.831 1.00 1.00 H new ATOM 78 N LYS A 7 0.336 -0.281 -15.781 1.00 1.00 N ATOM 79 CA LYS A 7 0.939 -1.593 -15.617 1.00 1.00 C ATOM 80 C LYS A 7 1.324 -1.793 -14.150 1.00 1.00 C ATOM 81 O LYS A 7 2.433 -1.489 -13.718 1.00 1.00 O ATOM 82 CB LYS A 7 2.108 -1.770 -16.588 1.00 1.00 C ATOM 83 CG LYS A 7 2.970 -0.507 -16.645 1.00 1.00 C ATOM 84 CD LYS A 7 4.449 -0.861 -16.819 1.00 1.00 C ATOM 85 CE LYS A 7 4.982 -0.346 -18.157 1.00 1.00 C ATOM 86 NZ LYS A 7 6.415 0.006 -18.044 1.00 1.00 N ATOM 0 H LYS A 7 0.959 0.502 -15.584 1.00 1.00 H new ATOM 0 HA LYS A 7 0.223 -2.375 -15.869 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.719 -2.618 -16.277 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.727 -2.000 -17.583 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.643 0.124 -17.472 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.836 0.071 -15.731 1.00 1.00 H new ATOM 0 HD2 LYS A 7 5.028 -0.430 -16.002 1.00 1.00 H new ATOM 0 HD3 LYS A 7 4.577 -1.942 -16.764 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.848 -1.107 -18.926 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.411 0.528 -18.471 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 6.760 0.354 -18.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 6.535 0.748 -17.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 6.958 -0.836 -17.766 1.00 1.00 H new ATOM 99 N PRO A 8 0.366 -2.319 -13.382 1.00 1.00 N ATOM 100 CA PRO A 8 0.512 -2.595 -11.969 1.00 1.00 C ATOM 101 C PRO A 8 1.890 -3.186 -11.705 1.00 1.00 C ATOM 102 O PRO A 8 2.382 -3.942 -12.541 1.00 1.00 O ATOM 103 CB PRO A 8 -0.587 -3.606 -11.652 1.00 1.00 C ATOM 104 CG PRO A 8 -1.735 -3.051 -12.599 1.00 1.00 C ATOM 105 CD PRO A 8 -0.950 -2.688 -13.857 1.00 1.00 C ATOM 0 HA PRO A 8 0.424 -1.702 -11.350 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.299 -4.628 -11.897 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -0.872 -3.599 -10.600 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.501 -3.801 -12.797 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.239 -2.186 -12.167 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.899 -3.530 -14.547 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.422 -1.864 -14.393 1.00 1.00 H new ATOM 113 N VAL A 9 2.477 -2.838 -10.569 1.00 1.00 N ATOM 114 CA VAL A 9 3.793 -3.345 -10.221 1.00 1.00 C ATOM 115 C VAL A 9 3.659 -4.371 -9.095 1.00 1.00 C ATOM 116 O VAL A 9 2.790 -4.243 -8.234 1.00 1.00 O ATOM 117 CB VAL A 9 4.724 -2.184 -9.864 1.00 1.00 C ATOM 118 CG1 VAL A 9 5.458 -1.669 -11.103 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.953 -1.056 -9.175 1.00 1.00 C ATOM 0 H VAL A 9 2.065 -2.211 -9.878 1.00 1.00 H new ATOM 0 HA VAL A 9 4.243 -3.855 -11.073 1.00 1.00 H new ATOM 0 HB VAL A 9 5.471 -2.557 -9.163 1.00 1.00 H new ATOM 0 HG11 VAL A 9 6.113 -0.844 -10.821 1.00 1.00 H new ATOM 0 HG12 VAL A 9 6.053 -2.474 -11.534 1.00 1.00 H new ATOM 0 HG13 VAL A 9 4.732 -1.321 -11.838 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.637 -0.243 -8.932 1.00 1.00 H new ATOM 0 HG22 VAL A 9 3.174 -0.687 -9.842 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.497 -1.433 -8.259 1.00 1.00 H new ATOM 129 N GLU A 10 4.531 -5.367 -9.138 1.00 1.00 N ATOM 130 CA GLU A 10 4.521 -6.415 -8.131 1.00 1.00 C ATOM 131 C GLU A 10 5.285 -5.963 -6.885 1.00 1.00 C ATOM 132 O GLU A 10 6.314 -5.296 -6.992 1.00 1.00 O ATOM 133 CB GLU A 10 5.102 -7.716 -8.688 1.00 1.00 C ATOM 134 CG GLU A 10 3.989 -8.681 -9.103 1.00 1.00 C ATOM 135 CD GLU A 10 3.306 -8.209 -10.389 1.00 1.00 C ATOM 136 OE1 GLU A 10 2.804 -7.077 -10.444 1.00 1.00 O ATOM 137 OE2 GLU A 10 3.308 -9.066 -11.353 1.00 1.00 O ATOM 0 H GLU A 10 5.250 -5.471 -9.854 1.00 1.00 H new ATOM 0 HA GLU A 10 3.486 -6.609 -7.848 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.737 -7.497 -9.547 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.735 -8.187 -7.936 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.404 -9.678 -9.252 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.253 -8.758 -8.303 1.00 1.00 H new ATOM 145 N VAL A 11 4.753 -6.342 -5.733 1.00 1.00 N ATOM 146 CA VAL A 11 5.372 -5.984 -4.468 1.00 1.00 C ATOM 147 C VAL A 11 5.775 -7.258 -3.724 1.00 1.00 C ATOM 148 O VAL A 11 5.078 -7.693 -2.808 1.00 1.00 O ATOM 149 CB VAL A 11 4.429 -5.091 -3.659 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.151 -4.478 -2.457 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.811 -4.004 -4.540 1.00 1.00 C ATOM 0 H VAL A 11 3.899 -6.894 -5.649 1.00 1.00 H new ATOM 0 HA VAL A 11 6.280 -5.406 -4.637 1.00 1.00 H new ATOM 0 HB VAL A 11 3.619 -5.715 -3.281 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.458 -3.848 -1.899 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.520 -5.274 -1.810 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.990 -3.875 -2.805 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.145 -3.384 -3.940 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.602 -3.384 -4.962 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.245 -4.468 -5.347 1.00 1.00 H new ATOM 161 N LYS A 12 6.899 -7.820 -4.144 1.00 1.00 N ATOM 162 CA LYS A 12 7.403 -9.036 -3.528 1.00 1.00 C ATOM 163 C LYS A 12 7.795 -8.743 -2.078 1.00 1.00 C ATOM 164 O LYS A 12 8.882 -8.231 -1.816 1.00 1.00 O ATOM 165 CB LYS A 12 8.539 -9.628 -4.364 1.00 1.00 C ATOM 166 CG LYS A 12 9.629 -8.586 -4.626 1.00 1.00 C ATOM 167 CD LYS A 12 9.920 -8.462 -6.123 1.00 1.00 C ATOM 168 CE LYS A 12 11.060 -7.473 -6.379 1.00 1.00 C ATOM 169 NZ LYS A 12 11.335 -7.364 -7.829 1.00 1.00 N ATOM 0 H LYS A 12 7.475 -7.456 -4.903 1.00 1.00 H new ATOM 0 HA LYS A 12 6.626 -9.800 -3.501 1.00 1.00 H new ATOM 0 HB2 LYS A 12 8.968 -10.485 -3.845 1.00 1.00 H new ATOM 0 HB3 LYS A 12 8.145 -9.993 -5.312 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.316 -7.619 -4.231 1.00 1.00 H new ATOM 0 HG3 LYS A 12 10.540 -8.866 -4.097 1.00 1.00 H new ATOM 0 HD2 LYS A 12 10.183 -9.439 -6.528 1.00 1.00 H new ATOM 0 HD3 LYS A 12 9.022 -8.131 -6.646 1.00 1.00 H new ATOM 0 HE2 LYS A 12 10.797 -6.494 -5.978 1.00 1.00 H new ATOM 0 HE3 LYS A 12 11.958 -7.801 -5.856 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 12.111 -6.689 -7.985 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 11.606 -8.296 -8.202 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 10.481 -7.030 -8.320 1.00 1.00 H new ATOM 182 N GLY A 13 6.887 -9.081 -1.174 1.00 1.00 N ATOM 183 CA GLY A 13 7.124 -8.861 0.243 1.00 1.00 C ATOM 184 C GLY A 13 8.119 -9.883 0.797 1.00 1.00 C ATOM 185 O GLY A 13 9.012 -10.336 0.083 1.00 1.00 O ATOM 0 H GLY A 13 5.986 -9.505 -1.395 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.508 -7.853 0.399 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.183 -8.932 0.788 1.00 1.00 H new ATOM 189 N SER A 14 7.932 -10.215 2.066 1.00 1.00 N ATOM 190 CA SER A 14 8.802 -11.175 2.724 1.00 1.00 C ATOM 191 C SER A 14 8.816 -12.490 1.943 1.00 1.00 C ATOM 192 O SER A 14 9.845 -12.877 1.391 1.00 1.00 O ATOM 193 CB SER A 14 8.358 -11.420 4.168 1.00 1.00 C ATOM 194 OG SER A 14 8.210 -12.808 4.453 1.00 1.00 O ATOM 0 H SER A 14 7.191 -9.836 2.656 1.00 1.00 H new ATOM 0 HA SER A 14 9.811 -10.763 2.747 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.089 -10.986 4.850 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.412 -10.910 4.348 1.00 1.00 H new ATOM 0 HG SER A 14 7.927 -12.922 5.384 1.00 1.00 H new ATOM 200 N GLN A 15 7.662 -13.142 1.922 1.00 1.00 N ATOM 201 CA GLN A 15 7.530 -14.405 1.217 1.00 1.00 C ATOM 202 C GLN A 15 6.153 -14.503 0.558 1.00 1.00 C ATOM 203 O GLN A 15 5.491 -15.537 0.644 1.00 1.00 O ATOM 204 CB GLN A 15 7.771 -15.586 2.159 1.00 1.00 C ATOM 205 CG GLN A 15 8.917 -16.465 1.654 1.00 1.00 C ATOM 206 CD GLN A 15 9.160 -17.646 2.597 1.00 1.00 C ATOM 207 OE1 GLN A 15 10.266 -17.898 3.045 1.00 1.00 O ATOM 208 NE2 GLN A 15 8.067 -18.351 2.873 1.00 1.00 N ATOM 0 H GLN A 15 6.811 -12.819 2.382 1.00 1.00 H new ATOM 0 HA GLN A 15 8.289 -14.444 0.436 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.004 -15.217 3.158 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.861 -16.181 2.243 1.00 1.00 H new ATOM 0 HG2 GLN A 15 8.684 -16.835 0.655 1.00 1.00 H new ATOM 0 HG3 GLN A 15 9.826 -15.870 1.569 1.00 1.00 H new ATOM 0 HE21 GLN A 15 7.172 -18.085 2.464 1.00 1.00 H new ATOM 0 HE22 GLN A 15 8.124 -19.158 3.494 1.00 1.00 H new ATOM 217 N LYS A 16 5.761 -13.413 -0.086 1.00 1.00 N ATOM 218 CA LYS A 16 4.475 -13.363 -0.760 1.00 1.00 C ATOM 219 C LYS A 16 4.484 -12.228 -1.784 1.00 1.00 C ATOM 220 O LYS A 16 4.907 -11.114 -1.478 1.00 1.00 O ATOM 221 CB LYS A 16 3.339 -13.262 0.261 1.00 1.00 C ATOM 222 CG LYS A 16 2.046 -13.859 -0.297 1.00 1.00 C ATOM 223 CD LYS A 16 1.720 -15.191 0.381 1.00 1.00 C ATOM 224 CE LYS A 16 0.236 -15.273 0.744 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.309 -16.606 0.402 1.00 1.00 N ATOM 0 H LYS A 16 6.312 -12.557 -0.155 1.00 1.00 H new ATOM 0 HA LYS A 16 4.297 -14.287 -1.310 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.620 -13.784 1.176 1.00 1.00 H new ATOM 0 HB3 LYS A 16 3.176 -12.218 0.527 1.00 1.00 H new ATOM 0 HG2 LYS A 16 1.224 -13.159 -0.147 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.145 -14.009 -1.372 1.00 1.00 H new ATOM 0 HD2 LYS A 16 1.982 -16.015 -0.283 1.00 1.00 H new ATOM 0 HD3 LYS A 16 2.325 -15.303 1.281 1.00 1.00 H new ATOM 0 HE2 LYS A 16 0.105 -15.083 1.809 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -0.318 -14.500 0.212 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -1.317 -16.644 0.655 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -0.202 -16.773 -0.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 0.208 -17.338 0.929 1.00 1.00 H new ATOM 238 N THR A 17 4.014 -12.549 -2.981 1.00 1.00 N ATOM 239 CA THR A 17 3.963 -11.569 -4.052 1.00 1.00 C ATOM 240 C THR A 17 2.580 -10.917 -4.114 1.00 1.00 C ATOM 241 O THR A 17 1.566 -11.610 -4.188 1.00 1.00 O ATOM 242 CB THR A 17 4.363 -12.269 -5.352 1.00 1.00 C ATOM 243 OG1 THR A 17 5.657 -12.800 -5.076 1.00 1.00 O ATOM 244 CG2 THR A 17 4.602 -11.284 -6.499 1.00 1.00 C ATOM 0 H THR A 17 3.665 -13.474 -3.232 1.00 1.00 H new ATOM 0 HA THR A 17 4.664 -10.753 -3.875 1.00 1.00 H new ATOM 0 HB THR A 17 3.584 -12.976 -5.637 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.992 -13.273 -5.866 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.883 -11.833 -7.398 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.689 -10.719 -6.690 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.404 -10.597 -6.228 1.00 1.00 H new ATOM 252 N VAL A 18 2.583 -9.593 -4.082 1.00 1.00 N ATOM 253 CA VAL A 18 1.341 -8.840 -4.134 1.00 1.00 C ATOM 254 C VAL A 18 1.474 -7.715 -5.163 1.00 1.00 C ATOM 255 O VAL A 18 2.404 -6.913 -5.094 1.00 1.00 O ATOM 256 CB VAL A 18 0.979 -8.333 -2.737 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.385 -7.638 -2.743 1.00 1.00 C ATOM 258 CG2 VAL A 18 1.010 -9.471 -1.715 1.00 1.00 C ATOM 0 H VAL A 18 3.426 -9.022 -4.021 1.00 1.00 H new ATOM 0 HA VAL A 18 0.519 -9.479 -4.457 1.00 1.00 H new ATOM 0 HB VAL A 18 1.729 -7.599 -2.442 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.619 -7.287 -1.738 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.358 -6.790 -3.427 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.151 -8.342 -3.069 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.749 -9.083 -0.730 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.293 -10.239 -2.004 1.00 1.00 H new ATOM 0 HG23 VAL A 18 2.010 -9.903 -1.681 1.00 1.00 H new ATOM 268 N MET A 19 0.530 -7.693 -6.093 1.00 1.00 N ATOM 269 CA MET A 19 0.530 -6.680 -7.134 1.00 1.00 C ATOM 270 C MET A 19 -0.553 -5.630 -6.878 1.00 1.00 C ATOM 271 O MET A 19 -1.689 -5.971 -6.553 1.00 1.00 O ATOM 272 CB MET A 19 0.287 -7.343 -8.491 1.00 1.00 C ATOM 273 CG MET A 19 -1.138 -7.891 -8.587 1.00 1.00 C ATOM 274 SD MET A 19 -1.153 -9.392 -9.552 1.00 1.00 S ATOM 275 CE MET A 19 -2.514 -9.041 -10.652 1.00 1.00 C ATOM 0 H MET A 19 -0.240 -8.360 -6.147 1.00 1.00 H new ATOM 0 HA MET A 19 1.500 -6.183 -7.131 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.457 -6.620 -9.289 1.00 1.00 H new ATOM 0 HB3 MET A 19 1.002 -8.152 -8.637 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.529 -8.087 -7.589 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.792 -7.148 -9.045 1.00 1.00 H new ATOM 0 HE1 MET A 19 -2.662 -9.883 -11.328 1.00 1.00 H new ATOM 0 HE2 MET A 19 -3.421 -8.881 -10.069 1.00 1.00 H new ATOM 0 HE3 MET A 19 -2.292 -8.145 -11.231 1.00 1.00 H new ATOM 285 N PHE A 20 -0.162 -4.374 -7.033 1.00 1.00 N ATOM 286 CA PHE A 20 -1.086 -3.272 -6.823 1.00 1.00 C ATOM 287 C PHE A 20 -1.372 -2.538 -8.134 1.00 1.00 C ATOM 288 O PHE A 20 -0.474 -2.070 -8.830 1.00 1.00 O ATOM 289 CB PHE A 20 -0.412 -2.304 -5.848 1.00 1.00 C ATOM 290 CG PHE A 20 -1.003 -0.893 -5.863 1.00 1.00 C ATOM 291 CD1 PHE A 20 -2.107 -0.610 -5.121 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.426 0.079 -6.619 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.657 0.699 -5.135 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.975 1.388 -6.633 1.00 1.00 C ATOM 295 CZ PHE A 20 -2.079 1.671 -5.891 1.00 1.00 C ATOM 0 H PHE A 20 0.782 -4.095 -7.301 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.032 -3.649 -6.435 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.489 -2.708 -4.839 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.650 -2.245 -6.087 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.566 -1.382 -4.521 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.450 -0.145 -7.209 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.534 0.923 -4.546 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.516 2.160 -7.233 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.497 2.667 -5.902 1.00 1.00 H new ATOM 305 N PRO A 21 -2.664 -2.449 -8.460 1.00 1.00 N ATOM 306 CA PRO A 21 -3.162 -1.798 -9.653 1.00 1.00 C ATOM 307 C PRO A 21 -3.375 -0.317 -9.375 1.00 1.00 C ATOM 308 O PRO A 21 -3.868 0.028 -8.303 1.00 1.00 O ATOM 309 CB PRO A 21 -4.487 -2.495 -9.955 1.00 1.00 C ATOM 310 CG PRO A 21 -5.008 -2.716 -8.480 1.00 1.00 C ATOM 311 CD PRO A 21 -3.746 -2.988 -7.665 1.00 1.00 C ATOM 0 HA PRO A 21 -2.472 -1.868 -10.494 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.160 -1.876 -10.549 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.354 -3.431 -10.497 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.537 -1.838 -8.110 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.703 -3.554 -8.426 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.796 -2.507 -6.688 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.612 -4.055 -7.488 1.00 1.00 H new ATOM 319 N HIS A 22 -3.004 0.531 -10.335 1.00 1.00 N ATOM 320 CA HIS A 22 -3.145 1.977 -10.212 1.00 1.00 C ATOM 321 C HIS A 22 -4.547 2.405 -10.685 1.00 1.00 C ATOM 322 O HIS A 22 -5.120 3.350 -10.144 1.00 1.00 O ATOM 323 CB HIS A 22 -1.990 2.655 -10.964 1.00 1.00 C ATOM 324 CG HIS A 22 -0.759 2.994 -10.156 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.378 2.297 -10.250 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.525 3.984 -9.232 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.284 2.832 -9.417 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.779 3.877 -8.764 1.00 1.00 N ATOM 0 H HIS A 22 -2.597 0.231 -11.221 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.072 2.298 -9.173 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.689 2.003 -11.784 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.368 3.575 -11.410 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.532 1.491 -10.856 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.242 4.728 -8.919 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.291 2.463 -9.292 1.00 1.00 H new ATOM 336 N ALA A 23 -5.051 1.692 -11.681 1.00 1.00 N ATOM 337 CA ALA A 23 -6.366 1.989 -12.223 1.00 1.00 C ATOM 338 C ALA A 23 -7.363 2.150 -11.073 1.00 1.00 C ATOM 339 O ALA A 23 -8.047 3.162 -10.938 1.00 1.00 O ATOM 340 CB ALA A 23 -6.777 0.886 -13.200 1.00 1.00 C ATOM 0 H ALA A 23 -4.573 0.909 -12.127 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.349 2.927 -12.778 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.763 1.109 -13.606 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -6.053 0.832 -14.013 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.808 -0.070 -12.677 1.00 1.00 H new ATOM 346 N PRO A 24 -7.429 1.113 -10.235 1.00 1.00 N ATOM 347 CA PRO A 24 -8.299 1.051 -9.080 1.00 1.00 C ATOM 348 C PRO A 24 -7.892 2.120 -8.076 1.00 1.00 C ATOM 349 O PRO A 24 -8.576 2.289 -7.069 1.00 1.00 O ATOM 350 CB PRO A 24 -8.089 -0.348 -8.506 1.00 1.00 C ATOM 351 CG PRO A 24 -7.449 -1.172 -9.648 1.00 1.00 C ATOM 352 CD PRO A 24 -6.639 -0.093 -10.363 1.00 1.00 C ATOM 0 HA PRO A 24 -9.346 1.229 -9.327 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.440 -0.320 -7.631 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.034 -0.787 -8.187 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.820 -1.979 -9.272 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.196 -1.626 -10.298 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.656 0.029 -9.909 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.477 -0.350 -11.410 1.00 1.00 H new ATOM 360 N HIS A 25 -6.792 2.819 -8.360 1.00 1.00 N ATOM 361 CA HIS A 25 -6.278 3.873 -7.493 1.00 1.00 C ATOM 362 C HIS A 25 -5.904 5.105 -8.337 1.00 1.00 C ATOM 363 O HIS A 25 -4.885 5.744 -8.080 1.00 1.00 O ATOM 364 CB HIS A 25 -5.123 3.307 -6.654 1.00 1.00 C ATOM 365 CG HIS A 25 -5.445 2.132 -5.760 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.336 0.864 -6.171 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.878 2.075 -4.457 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.688 0.050 -5.164 1.00 1.00 C ATOM 369 NE2 HIS A 25 -6.031 0.746 -4.081 1.00 1.00 N ATOM 0 H HIS A 25 -6.233 2.668 -9.200 1.00 1.00 H new ATOM 0 HA HIS A 25 -7.036 4.216 -6.789 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.324 3.009 -7.333 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.729 4.110 -6.031 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -5.035 0.565 -7.098 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.069 2.929 -3.824 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.693 -1.028 -5.224 1.00 1.00 H new ATOM 377 N GLU A 26 -6.745 5.396 -9.319 1.00 1.00 N ATOM 378 CA GLU A 26 -6.511 6.534 -10.192 1.00 1.00 C ATOM 379 C GLU A 26 -7.431 7.695 -9.808 1.00 1.00 C ATOM 380 O GLU A 26 -7.519 8.686 -10.531 1.00 1.00 O ATOM 381 CB GLU A 26 -6.699 6.147 -11.660 1.00 1.00 C ATOM 382 CG GLU A 26 -5.430 6.425 -12.468 1.00 1.00 C ATOM 383 CD GLU A 26 -5.761 7.138 -13.781 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.233 8.284 -13.763 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.510 6.458 -14.848 1.00 1.00 O ATOM 0 H GLU A 26 -7.589 4.863 -9.529 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.478 6.858 -10.066 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.955 5.090 -11.731 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.533 6.706 -12.083 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.747 7.038 -11.880 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.916 5.487 -12.679 1.00 1.00 H new ATOM 393 N LYS A 27 -8.093 7.533 -8.672 1.00 1.00 N ATOM 394 CA LYS A 27 -9.003 8.555 -8.184 1.00 1.00 C ATOM 395 C LYS A 27 -8.557 9.006 -6.791 1.00 1.00 C ATOM 396 O LYS A 27 -9.151 9.911 -6.208 1.00 1.00 O ATOM 397 CB LYS A 27 -10.448 8.055 -8.235 1.00 1.00 C ATOM 398 CG LYS A 27 -11.095 8.387 -9.581 1.00 1.00 C ATOM 399 CD LYS A 27 -12.614 8.214 -9.516 1.00 1.00 C ATOM 400 CE LYS A 27 -13.324 9.293 -10.336 1.00 1.00 C ATOM 401 NZ LYS A 27 -13.429 10.549 -9.560 1.00 1.00 N ATOM 0 H LYS A 27 -8.017 6.709 -8.075 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.971 9.433 -8.829 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.470 6.977 -8.073 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -11.023 8.510 -7.429 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.854 9.412 -9.862 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -10.684 7.739 -10.356 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -12.888 7.228 -9.891 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.945 8.264 -8.479 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -12.776 9.475 -11.261 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -14.319 8.948 -10.617 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -13.913 11.271 -10.131 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.971 10.375 -8.690 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -12.476 10.885 -9.313 1.00 1.00 H new ATOM 414 N VAL A 28 -7.514 8.353 -6.299 1.00 1.00 N ATOM 415 CA VAL A 28 -6.982 8.675 -4.986 1.00 1.00 C ATOM 416 C VAL A 28 -5.711 9.512 -5.146 1.00 1.00 C ATOM 417 O VAL A 28 -4.773 9.099 -5.826 1.00 1.00 O ATOM 418 CB VAL A 28 -6.755 7.392 -4.184 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.285 7.710 -2.763 1.00 1.00 C ATOM 420 CG2 VAL A 28 -8.018 6.528 -4.163 1.00 1.00 C ATOM 0 H VAL A 28 -7.024 7.603 -6.786 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.697 9.274 -4.421 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.968 6.823 -4.678 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.131 6.781 -2.214 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.348 8.266 -2.805 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.040 8.310 -2.256 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.830 5.622 -3.587 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.834 7.087 -3.704 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.291 6.259 -5.183 1.00 1.00 H new ATOM 430 N GLU A 29 -5.722 10.674 -4.509 1.00 1.00 N ATOM 431 CA GLU A 29 -4.582 11.573 -4.573 1.00 1.00 C ATOM 432 C GLU A 29 -3.278 10.790 -4.404 1.00 1.00 C ATOM 433 O GLU A 29 -3.122 10.037 -3.443 1.00 1.00 O ATOM 434 CB GLU A 29 -4.697 12.680 -3.523 1.00 1.00 C ATOM 435 CG GLU A 29 -4.765 14.058 -4.184 1.00 1.00 C ATOM 436 CD GLU A 29 -4.527 15.170 -3.161 1.00 1.00 C ATOM 437 OE1 GLU A 29 -4.307 14.883 -1.974 1.00 1.00 O ATOM 438 OE2 GLU A 29 -4.575 16.368 -3.636 1.00 1.00 O ATOM 0 H GLU A 29 -6.502 11.014 -3.946 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.573 12.048 -5.554 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.588 12.519 -2.916 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.841 12.638 -2.850 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.019 14.122 -4.976 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.740 14.193 -4.652 1.00 1.00 H new ATOM 446 N CYS A 30 -2.375 10.993 -5.352 1.00 1.00 N ATOM 447 CA CYS A 30 -1.090 10.315 -5.319 1.00 1.00 C ATOM 448 C CYS A 30 -0.532 10.412 -3.898 1.00 1.00 C ATOM 449 O CYS A 30 -0.301 9.394 -3.248 1.00 1.00 O ATOM 450 CB CYS A 30 -0.121 10.891 -6.354 1.00 1.00 C ATOM 451 SG CYS A 30 -0.851 11.194 -8.004 1.00 1.00 S ATOM 0 H CYS A 30 -2.508 11.617 -6.148 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.222 9.266 -5.585 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.281 11.830 -5.972 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.720 10.206 -6.464 1.00 1.00 H new ATOM 456 N VAL A 31 -0.331 11.646 -3.458 1.00 1.00 N ATOM 457 CA VAL A 31 0.196 11.888 -2.126 1.00 1.00 C ATOM 458 C VAL A 31 -0.449 10.911 -1.141 1.00 1.00 C ATOM 459 O VAL A 31 0.248 10.226 -0.394 1.00 1.00 O ATOM 460 CB VAL A 31 -0.015 13.353 -1.739 1.00 1.00 C ATOM 461 CG1 VAL A 31 -0.006 13.526 -0.219 1.00 1.00 C ATOM 462 CG2 VAL A 31 1.032 14.252 -2.399 1.00 1.00 C ATOM 0 H VAL A 31 -0.524 12.488 -4.000 1.00 1.00 H new ATOM 0 HA VAL A 31 1.271 11.710 -2.103 1.00 1.00 H new ATOM 0 HB VAL A 31 -0.996 13.657 -2.105 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -0.158 14.577 0.029 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -0.806 12.930 0.220 1.00 1.00 H new ATOM 0 HG13 VAL A 31 0.953 13.194 0.179 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.858 15.288 -2.107 1.00 1.00 H new ATOM 0 HG22 VAL A 31 2.028 13.947 -2.078 1.00 1.00 H new ATOM 0 HG23 VAL A 31 0.957 14.163 -3.483 1.00 1.00 H new ATOM 472 N THR A 32 -1.773 10.877 -1.172 1.00 1.00 N ATOM 473 CA THR A 32 -2.520 9.995 -0.291 1.00 1.00 C ATOM 474 C THR A 32 -1.788 8.661 -0.127 1.00 1.00 C ATOM 475 O THR A 32 -1.872 8.027 0.924 1.00 1.00 O ATOM 476 CB THR A 32 -3.933 9.847 -0.858 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.274 11.161 -1.289 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.968 9.530 0.225 1.00 1.00 C ATOM 0 H THR A 32 -2.348 11.446 -1.793 1.00 1.00 H new ATOM 0 HA THR A 32 -2.599 10.412 0.713 1.00 1.00 H new ATOM 0 HB THR A 32 -3.941 9.059 -1.611 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.212 11.344 -1.070 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.954 9.435 -0.230 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.704 8.594 0.718 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.984 10.335 0.960 1.00 1.00 H new ATOM 486 N CYS A 33 -1.087 8.274 -1.183 1.00 1.00 N ATOM 487 CA CYS A 33 -0.341 7.027 -1.169 1.00 1.00 C ATOM 488 C CYS A 33 1.153 7.360 -1.170 1.00 1.00 C ATOM 489 O CYS A 33 1.912 6.856 -0.345 1.00 1.00 O ATOM 490 CB CYS A 33 -0.725 6.125 -2.343 1.00 1.00 C ATOM 491 SG CYS A 33 -1.668 4.677 -1.739 1.00 1.00 S ATOM 0 H CYS A 33 -1.020 8.802 -2.053 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.586 6.464 -0.268 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.323 6.685 -3.062 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.172 5.793 -2.865 1.00 1.00 H new ATOM 496 N HIS A 34 1.538 8.217 -2.116 1.00 1.00 N ATOM 497 CA HIS A 34 2.921 8.654 -2.274 1.00 1.00 C ATOM 498 C HIS A 34 3.196 9.854 -1.350 1.00 1.00 C ATOM 499 O HIS A 34 3.302 10.988 -1.815 1.00 1.00 O ATOM 500 CB HIS A 34 3.189 8.926 -3.761 1.00 1.00 C ATOM 501 CG HIS A 34 3.172 7.730 -4.685 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.215 6.904 -4.812 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.197 7.248 -5.526 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.902 5.944 -5.698 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.668 6.109 -6.169 1.00 1.00 N ATOM 0 H HIS A 34 0.896 8.627 -2.795 1.00 1.00 H new ATOM 0 HA HIS A 34 3.623 7.878 -1.967 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.446 9.640 -4.115 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.162 9.409 -3.848 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.103 6.989 -4.317 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.219 7.685 -5.665 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.565 5.143 -5.990 1.00 1.00 H new ATOM 513 N HIS A 35 3.306 9.564 -0.054 1.00 1.00 N ATOM 514 CA HIS A 35 3.567 10.574 0.965 1.00 1.00 C ATOM 515 C HIS A 35 4.775 11.432 0.549 1.00 1.00 C ATOM 516 O HIS A 35 5.573 11.013 -0.289 1.00 1.00 O ATOM 517 CB HIS A 35 3.724 9.879 2.326 1.00 1.00 C ATOM 518 CG HIS A 35 5.008 9.118 2.556 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.213 9.676 2.404 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.235 7.816 2.934 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.154 8.758 2.676 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.604 7.591 3.009 1.00 1.00 N ATOM 0 H HIS A 35 3.216 8.618 0.318 1.00 1.00 H new ATOM 0 HA HIS A 35 2.732 11.267 1.063 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.632 10.635 3.106 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.891 9.187 2.453 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.389 10.642 2.127 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.469 7.083 3.140 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.217 8.941 2.631 1.00 1.00 H new ATOM 530 N LEU A 36 4.870 12.608 1.152 1.00 1.00 N ATOM 531 CA LEU A 36 5.963 13.517 0.853 1.00 1.00 C ATOM 532 C LEU A 36 7.186 13.130 1.688 1.00 1.00 C ATOM 533 O LEU A 36 7.048 12.565 2.772 1.00 1.00 O ATOM 534 CB LEU A 36 5.522 14.969 1.047 1.00 1.00 C ATOM 535 CG LEU A 36 4.061 15.276 0.712 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.862 16.770 0.444 1.00 1.00 C ATOM 537 CD2 LEU A 36 3.573 14.415 -0.454 1.00 1.00 C ATOM 0 H LEU A 36 4.207 12.952 1.847 1.00 1.00 H new ATOM 0 HA LEU A 36 6.251 13.433 -0.195 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.702 15.247 2.085 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.157 15.606 0.431 1.00 1.00 H new ATOM 0 HG LEU A 36 3.451 15.020 1.578 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.815 16.961 0.208 1.00 1.00 H new ATOM 0 HD12 LEU A 36 4.144 17.339 1.330 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.485 17.075 -0.397 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.532 14.653 -0.671 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.183 14.616 -1.335 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.656 13.361 -0.188 1.00 1.00 H new ATOM 549 N VAL A 37 8.354 13.448 1.151 1.00 1.00 N ATOM 550 CA VAL A 37 9.600 13.140 1.833 1.00 1.00 C ATOM 551 C VAL A 37 10.389 14.432 2.053 1.00 1.00 C ATOM 552 O VAL A 37 10.871 15.040 1.098 1.00 1.00 O ATOM 553 CB VAL A 37 10.382 12.089 1.043 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.765 11.860 1.657 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.599 10.778 0.951 1.00 1.00 C ATOM 0 H VAL A 37 8.464 13.916 0.251 1.00 1.00 H new ATOM 0 HA VAL A 37 9.402 12.709 2.815 1.00 1.00 H new ATOM 0 HB VAL A 37 10.523 12.466 0.030 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.301 11.109 1.077 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.327 12.794 1.647 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.654 11.514 2.685 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.177 10.048 0.384 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.413 10.394 1.954 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.648 10.957 0.449 1.00 1.00 H new ATOM 565 N ASP A 38 10.496 14.815 3.316 1.00 1.00 N ATOM 566 CA ASP A 38 11.218 16.024 3.674 1.00 1.00 C ATOM 567 C ASP A 38 10.685 17.195 2.846 1.00 1.00 C ATOM 568 O ASP A 38 11.455 18.034 2.382 1.00 1.00 O ATOM 569 CB ASP A 38 12.713 15.880 3.380 1.00 1.00 C ATOM 570 CG ASP A 38 13.288 14.483 3.622 1.00 1.00 C ATOM 571 OD1 ASP A 38 12.770 13.713 4.444 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.325 14.190 2.913 1.00 1.00 O ATOM 0 H ASP A 38 10.094 14.309 4.105 1.00 1.00 H new ATOM 0 HA ASP A 38 11.075 16.199 4.740 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.892 16.155 2.340 1.00 1.00 H new ATOM 0 HB3 ASP A 38 13.260 16.593 3.997 1.00 1.00 H new ATOM 578 N GLY A 39 9.369 17.215 2.688 1.00 1.00 N ATOM 579 CA GLY A 39 8.724 18.270 1.924 1.00 1.00 C ATOM 580 C GLY A 39 9.287 18.341 0.503 1.00 1.00 C ATOM 581 O GLY A 39 9.374 19.421 -0.080 1.00 1.00 O ATOM 0 H GLY A 39 8.733 16.518 3.076 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.650 18.091 1.885 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.869 19.227 2.425 1.00 1.00 H new ATOM 585 N LYS A 40 9.655 17.178 -0.013 1.00 1.00 N ATOM 586 CA LYS A 40 10.208 17.096 -1.354 1.00 1.00 C ATOM 587 C LYS A 40 9.459 16.021 -2.144 1.00 1.00 C ATOM 588 O LYS A 40 9.609 14.830 -1.875 1.00 1.00 O ATOM 589 CB LYS A 40 11.721 16.875 -1.297 1.00 1.00 C ATOM 590 CG LYS A 40 12.463 17.966 -2.073 1.00 1.00 C ATOM 591 CD LYS A 40 13.747 17.417 -2.697 1.00 1.00 C ATOM 592 CE LYS A 40 14.933 17.576 -1.743 1.00 1.00 C ATOM 593 NZ LYS A 40 16.117 16.857 -2.264 1.00 1.00 N ATOM 0 H LYS A 40 9.581 16.284 0.473 1.00 1.00 H new ATOM 0 HA LYS A 40 10.067 18.038 -1.883 1.00 1.00 H new ATOM 0 HB2 LYS A 40 12.053 16.872 -0.259 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.966 15.897 -1.713 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.816 18.365 -2.854 1.00 1.00 H new ATOM 0 HG3 LYS A 40 12.704 18.793 -1.405 1.00 1.00 H new ATOM 0 HD2 LYS A 40 13.614 16.364 -2.944 1.00 1.00 H new ATOM 0 HD3 LYS A 40 13.954 17.940 -3.631 1.00 1.00 H new ATOM 0 HE2 LYS A 40 15.168 18.633 -1.618 1.00 1.00 H new ATOM 0 HE3 LYS A 40 14.670 17.190 -0.758 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 16.913 16.975 -1.605 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 15.894 15.846 -2.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 16.377 17.244 -3.193 1.00 1.00 H new ATOM 606 N GLU A 41 8.669 16.479 -3.103 1.00 1.00 N ATOM 607 CA GLU A 41 7.896 15.572 -3.934 1.00 1.00 C ATOM 608 C GLU A 41 8.767 14.401 -4.394 1.00 1.00 C ATOM 609 O GLU A 41 9.799 14.604 -5.032 1.00 1.00 O ATOM 610 CB GLU A 41 7.289 16.307 -5.131 1.00 1.00 C ATOM 611 CG GLU A 41 5.970 16.981 -4.749 1.00 1.00 C ATOM 612 CD GLU A 41 5.241 17.502 -5.990 1.00 1.00 C ATOM 613 OE1 GLU A 41 5.825 18.260 -6.779 1.00 1.00 O ATOM 614 OE2 GLU A 41 4.025 17.092 -6.120 1.00 1.00 O ATOM 0 H GLU A 41 8.547 17.467 -3.324 1.00 1.00 H new ATOM 0 HA GLU A 41 7.074 15.176 -3.338 1.00 1.00 H new ATOM 0 HB2 GLU A 41 7.992 17.056 -5.497 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.119 15.604 -5.946 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.334 16.271 -4.221 1.00 1.00 H new ATOM 0 HG3 GLU A 41 6.164 17.806 -4.064 1.00 1.00 H new ATOM 622 N SER A 42 8.319 13.202 -4.053 1.00 1.00 N ATOM 623 CA SER A 42 9.045 11.999 -4.422 1.00 1.00 C ATOM 624 C SER A 42 8.074 10.946 -4.959 1.00 1.00 C ATOM 625 O SER A 42 6.874 10.970 -4.695 1.00 1.00 O ATOM 626 CB SER A 42 9.829 11.441 -3.233 1.00 1.00 C ATOM 627 OG SER A 42 10.742 10.420 -3.626 1.00 1.00 O ATOM 0 H SER A 42 7.462 13.038 -3.525 1.00 1.00 H new ATOM 0 HA SER A 42 9.760 12.258 -5.203 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.376 12.250 -2.748 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.133 11.041 -2.496 1.00 1.00 H new ATOM 0 HG SER A 42 11.224 10.091 -2.839 1.00 1.00 H new ATOM 633 N TYR A 43 8.628 10.007 -5.729 1.00 1.00 N ATOM 634 CA TYR A 43 7.843 8.940 -6.315 1.00 1.00 C ATOM 635 C TYR A 43 8.719 7.714 -6.532 1.00 1.00 C ATOM 636 O TYR A 43 8.801 7.234 -7.662 1.00 1.00 O ATOM 637 CB TYR A 43 7.245 9.417 -7.635 1.00 1.00 C ATOM 638 CG TYR A 43 6.161 10.454 -7.466 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.502 11.799 -7.277 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.815 10.071 -7.497 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.497 12.761 -7.120 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.809 11.034 -7.340 1.00 1.00 C ATOM 643 CZ TYR A 43 4.151 12.378 -7.152 1.00 1.00 C ATOM 644 OH TYR A 43 3.172 13.316 -6.999 1.00 1.00 O ATOM 0 H TYR A 43 9.622 9.972 -5.957 1.00 1.00 H new ATOM 0 HA TYR A 43 7.032 8.667 -5.640 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.039 9.831 -8.256 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.836 8.560 -8.170 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.541 12.094 -7.252 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.552 9.034 -7.642 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.760 13.798 -6.974 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.770 10.739 -7.364 1.00 1.00 H new ATOM 0 HH TYR A 43 2.294 12.883 -7.047 1.00 1.00 H new ATOM 654 N ALA A 44 9.346 7.237 -5.467 1.00 1.00 N ATOM 655 CA ALA A 44 10.206 6.070 -5.565 1.00 1.00 C ATOM 656 C ALA A 44 9.546 4.893 -4.845 1.00 1.00 C ATOM 657 O ALA A 44 8.788 5.087 -3.896 1.00 1.00 O ATOM 658 CB ALA A 44 11.586 6.403 -4.993 1.00 1.00 C ATOM 0 H ALA A 44 9.276 7.638 -4.532 1.00 1.00 H new ATOM 0 HA ALA A 44 10.345 5.783 -6.607 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.231 5.528 -5.066 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.025 7.226 -5.557 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.486 6.693 -3.947 1.00 1.00 H new ATOM 664 N LYS A 45 9.857 3.697 -5.324 1.00 1.00 N ATOM 665 CA LYS A 45 9.303 2.489 -4.738 1.00 1.00 C ATOM 666 C LYS A 45 9.574 2.487 -3.232 1.00 1.00 C ATOM 667 O LYS A 45 10.538 3.094 -2.770 1.00 1.00 O ATOM 668 CB LYS A 45 9.836 1.250 -5.460 1.00 1.00 C ATOM 669 CG LYS A 45 8.729 0.212 -5.658 1.00 1.00 C ATOM 670 CD LYS A 45 9.100 -0.781 -6.762 1.00 1.00 C ATOM 671 CE LYS A 45 9.743 -2.039 -6.174 1.00 1.00 C ATOM 672 NZ LYS A 45 10.077 -3.000 -7.249 1.00 1.00 N ATOM 0 H LYS A 45 10.486 3.539 -6.112 1.00 1.00 H new ATOM 0 HA LYS A 45 8.221 2.465 -4.868 1.00 1.00 H new ATOM 0 HB2 LYS A 45 10.247 1.537 -6.428 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.651 0.812 -4.884 1.00 1.00 H new ATOM 0 HG2 LYS A 45 8.557 -0.324 -4.725 1.00 1.00 H new ATOM 0 HG3 LYS A 45 7.796 0.714 -5.914 1.00 1.00 H new ATOM 0 HD2 LYS A 45 8.208 -1.054 -7.326 1.00 1.00 H new ATOM 0 HD3 LYS A 45 9.789 -0.310 -7.463 1.00 1.00 H new ATOM 0 HE2 LYS A 45 10.645 -1.771 -5.624 1.00 1.00 H new ATOM 0 HE3 LYS A 45 9.062 -2.504 -5.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 10.512 -3.848 -6.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 9.210 -3.269 -7.756 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 10.744 -2.559 -7.914 1.00 1.00 H new ATOM 685 N CYS A 46 8.705 1.796 -2.508 1.00 1.00 N ATOM 686 CA CYS A 46 8.839 1.707 -1.064 1.00 1.00 C ATOM 687 C CYS A 46 10.251 1.217 -0.741 1.00 1.00 C ATOM 688 O CYS A 46 10.849 1.640 0.247 1.00 1.00 O ATOM 689 CB CYS A 46 7.767 0.804 -0.451 1.00 1.00 C ATOM 690 SG CYS A 46 6.063 1.129 -1.035 1.00 1.00 S ATOM 0 H CYS A 46 7.906 1.293 -2.894 1.00 1.00 H new ATOM 0 HA CYS A 46 8.688 2.692 -0.621 1.00 1.00 H new ATOM 0 HB2 CYS A 46 8.019 -0.234 -0.668 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.792 0.918 0.633 1.00 1.00 H new ATOM 695 N GLY A 47 10.744 0.330 -1.594 1.00 1.00 N ATOM 696 CA GLY A 47 12.076 -0.223 -1.412 1.00 1.00 C ATOM 697 C GLY A 47 13.110 0.561 -2.221 1.00 1.00 C ATOM 698 O GLY A 47 13.825 -0.012 -3.042 1.00 1.00 O ATOM 0 H GLY A 47 10.245 -0.019 -2.412 1.00 1.00 H new ATOM 0 HA2 GLY A 47 12.342 -0.200 -0.355 1.00 1.00 H new ATOM 0 HA3 GLY A 47 12.085 -1.269 -1.720 1.00 1.00 H new ATOM 702 N SER A 48 13.157 1.860 -1.962 1.00 1.00 N ATOM 703 CA SER A 48 14.092 2.728 -2.657 1.00 1.00 C ATOM 704 C SER A 48 15.250 3.099 -1.728 1.00 1.00 C ATOM 705 O SER A 48 15.177 2.879 -0.520 1.00 1.00 O ATOM 706 CB SER A 48 13.396 3.991 -3.168 1.00 1.00 C ATOM 707 OG SER A 48 14.325 4.944 -3.678 1.00 1.00 O ATOM 0 H SER A 48 12.563 2.332 -1.281 1.00 1.00 H new ATOM 0 HA SER A 48 14.484 2.188 -3.519 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.686 3.722 -3.950 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.822 4.442 -2.358 1.00 1.00 H new ATOM 0 HG SER A 48 13.907 5.830 -3.697 1.00 1.00 H new ATOM 713 N SER A 49 16.292 3.656 -2.328 1.00 1.00 N ATOM 714 CA SER A 49 17.464 4.059 -1.570 1.00 1.00 C ATOM 715 C SER A 49 17.046 4.936 -0.387 1.00 1.00 C ATOM 716 O SER A 49 16.428 5.983 -0.574 1.00 1.00 O ATOM 717 CB SER A 49 18.464 4.805 -2.456 1.00 1.00 C ATOM 718 OG SER A 49 18.036 6.134 -2.741 1.00 1.00 O ATOM 0 H SER A 49 16.349 3.838 -3.330 1.00 1.00 H new ATOM 0 HA SER A 49 17.953 3.161 -1.194 1.00 1.00 H new ATOM 0 HB2 SER A 49 19.435 4.835 -1.961 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.599 4.259 -3.390 1.00 1.00 H new ATOM 0 HG SER A 49 17.426 6.439 -2.037 1.00 1.00 H new ATOM 724 N GLY A 50 17.400 4.475 0.804 1.00 1.00 N ATOM 725 CA GLY A 50 17.069 5.204 2.016 1.00 1.00 C ATOM 726 C GLY A 50 15.554 5.290 2.208 1.00 1.00 C ATOM 727 O GLY A 50 15.002 6.382 2.340 1.00 1.00 O ATOM 0 H GLY A 50 17.912 3.606 0.955 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.521 4.710 2.876 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.490 6.208 1.967 1.00 1.00 H new ATOM 731 N CYS A 51 14.924 4.125 2.218 1.00 1.00 N ATOM 732 CA CYS A 51 13.483 4.054 2.392 1.00 1.00 C ATOM 733 C CYS A 51 13.148 2.743 3.105 1.00 1.00 C ATOM 734 O CYS A 51 13.883 2.298 3.985 1.00 1.00 O ATOM 735 CB CYS A 51 12.745 4.183 1.058 1.00 1.00 C ATOM 736 SG CYS A 51 13.413 5.597 0.107 1.00 1.00 S ATOM 0 H CYS A 51 15.385 3.222 2.108 1.00 1.00 H new ATOM 0 HA CYS A 51 13.147 4.893 3.001 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.853 3.264 0.483 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.679 4.324 1.235 1.00 1.00 H new ATOM 741 N HIS A 52 12.026 2.149 2.696 1.00 1.00 N ATOM 742 CA HIS A 52 11.545 0.892 3.258 1.00 1.00 C ATOM 743 C HIS A 52 12.080 -0.288 2.427 1.00 1.00 C ATOM 744 O HIS A 52 11.391 -0.777 1.533 1.00 1.00 O ATOM 745 CB HIS A 52 10.014 0.949 3.364 1.00 1.00 C ATOM 746 CG HIS A 52 9.411 2.263 3.805 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.397 2.654 5.083 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.799 3.265 3.091 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.799 3.854 5.162 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.411 4.277 3.960 1.00 1.00 N ATOM 0 H HIS A 52 11.426 2.529 1.964 1.00 1.00 H new ATOM 0 HA HIS A 52 11.922 0.736 4.269 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.596 0.693 2.390 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.693 0.176 4.062 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.778 2.128 5.869 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.644 3.266 2.022 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.652 4.404 6.080 1.00 1.00 H new ATOM 758 N ASP A 53 13.294 -0.706 2.753 1.00 1.00 N ATOM 759 CA ASP A 53 13.918 -1.814 2.049 1.00 1.00 C ATOM 760 C ASP A 53 14.507 -2.793 3.066 1.00 1.00 C ATOM 761 O ASP A 53 15.715 -3.025 3.083 1.00 1.00 O ATOM 762 CB ASP A 53 15.056 -1.325 1.150 1.00 1.00 C ATOM 763 CG ASP A 53 16.281 -0.788 1.893 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.156 -0.041 2.875 1.00 1.00 O ATOM 765 OD2 ASP A 53 17.417 -1.172 1.418 1.00 1.00 O ATOM 0 H ASP A 53 13.862 -0.298 3.495 1.00 1.00 H new ATOM 0 HA ASP A 53 13.156 -2.296 1.437 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.371 -2.148 0.508 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.672 -0.540 0.498 1.00 1.00 H new ATOM 771 N ASP A 54 13.626 -3.341 3.890 1.00 1.00 N ATOM 772 CA ASP A 54 14.043 -4.290 4.909 1.00 1.00 C ATOM 773 C ASP A 54 12.836 -5.115 5.357 1.00 1.00 C ATOM 774 O ASP A 54 12.048 -4.668 6.189 1.00 1.00 O ATOM 775 CB ASP A 54 14.605 -3.569 6.136 1.00 1.00 C ATOM 776 CG ASP A 54 16.043 -3.940 6.503 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.690 -4.744 5.814 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.504 -3.360 7.559 1.00 1.00 O ATOM 0 H ASP A 54 12.625 -3.146 3.873 1.00 1.00 H new ATOM 0 HA ASP A 54 14.816 -4.927 4.480 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.557 -2.494 5.961 1.00 1.00 H new ATOM 0 HB3 ASP A 54 13.962 -3.782 6.990 1.00 1.00 H new ATOM 784 N LEU A 55 12.727 -6.305 4.784 1.00 1.00 N ATOM 785 CA LEU A 55 11.628 -7.196 5.114 1.00 1.00 C ATOM 786 C LEU A 55 12.045 -8.106 6.271 1.00 1.00 C ATOM 787 O LEU A 55 11.402 -9.122 6.530 1.00 1.00 O ATOM 788 CB LEU A 55 11.164 -7.958 3.870 1.00 1.00 C ATOM 789 CG LEU A 55 9.977 -7.352 3.118 1.00 1.00 C ATOM 790 CD1 LEU A 55 8.696 -7.448 3.948 1.00 1.00 C ATOM 791 CD2 LEU A 55 10.276 -5.915 2.688 1.00 1.00 C ATOM 0 H LEU A 55 13.382 -6.673 4.094 1.00 1.00 H new ATOM 0 HA LEU A 55 10.763 -6.625 5.452 1.00 1.00 H new ATOM 0 HB2 LEU A 55 12.005 -8.035 3.181 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.901 -8.973 4.167 1.00 1.00 H new ATOM 0 HG LEU A 55 9.816 -7.932 2.209 1.00 1.00 H new ATOM 0 HD11 LEU A 55 7.868 -7.010 3.391 1.00 1.00 H new ATOM 0 HD12 LEU A 55 8.478 -8.495 4.160 1.00 1.00 H new ATOM 0 HD13 LEU A 55 8.828 -6.908 4.885 1.00 1.00 H new ATOM 0 HD21 LEU A 55 9.416 -5.508 2.156 1.00 1.00 H new ATOM 0 HD22 LEU A 55 10.479 -5.306 3.569 1.00 1.00 H new ATOM 0 HD23 LEU A 55 11.147 -5.905 2.032 1.00 1.00 H new ATOM 803 N THR A 56 13.120 -7.708 6.937 1.00 1.00 N ATOM 804 CA THR A 56 13.630 -8.475 8.061 1.00 1.00 C ATOM 805 C THR A 56 13.295 -7.775 9.380 1.00 1.00 C ATOM 806 O THR A 56 12.879 -8.421 10.340 1.00 1.00 O ATOM 807 CB THR A 56 15.130 -8.684 7.848 1.00 1.00 C ATOM 808 OG1 THR A 56 15.225 -9.999 7.309 1.00 1.00 O ATOM 809 CG2 THR A 56 15.903 -8.765 9.166 1.00 1.00 C ATOM 0 H THR A 56 13.651 -6.865 6.720 1.00 1.00 H new ATOM 0 HA THR A 56 13.156 -9.455 8.120 1.00 1.00 H new ATOM 0 HB THR A 56 15.527 -7.869 7.244 1.00 1.00 H new ATOM 0 HG1 THR A 56 16.165 -10.216 7.139 1.00 1.00 H new ATOM 0 HG21 THR A 56 16.963 -8.914 8.958 1.00 1.00 H new ATOM 0 HG22 THR A 56 15.769 -7.838 9.724 1.00 1.00 H new ATOM 0 HG23 THR A 56 15.528 -9.601 9.757 1.00 1.00 H new ATOM 817 N ALA A 57 13.488 -6.465 9.383 1.00 1.00 N ATOM 818 CA ALA A 57 13.212 -5.671 10.568 1.00 1.00 C ATOM 819 C ALA A 57 11.961 -6.214 11.261 1.00 1.00 C ATOM 820 O ALA A 57 12.000 -6.559 12.441 1.00 1.00 O ATOM 821 CB ALA A 57 13.068 -4.199 10.175 1.00 1.00 C ATOM 0 H ALA A 57 13.832 -5.933 8.584 1.00 1.00 H new ATOM 0 HA ALA A 57 14.038 -5.740 11.276 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.861 -3.604 11.064 1.00 1.00 H new ATOM 0 HB2 ALA A 57 13.993 -3.853 9.714 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.247 -4.090 9.466 1.00 1.00 H new ATOM 827 N LYS A 58 10.879 -6.274 10.497 1.00 1.00 N ATOM 828 CA LYS A 58 9.619 -6.770 11.022 1.00 1.00 C ATOM 829 C LYS A 58 8.816 -5.601 11.597 1.00 1.00 C ATOM 830 O LYS A 58 7.593 -5.562 11.469 1.00 1.00 O ATOM 831 CB LYS A 58 9.863 -7.900 12.025 1.00 1.00 C ATOM 832 CG LYS A 58 8.715 -8.911 12.002 1.00 1.00 C ATOM 833 CD LYS A 58 7.484 -8.359 12.724 1.00 1.00 C ATOM 834 CE LYS A 58 6.216 -8.586 11.898 1.00 1.00 C ATOM 835 NZ LYS A 58 5.881 -10.027 11.850 1.00 1.00 N ATOM 0 H LYS A 58 10.850 -5.987 9.519 1.00 1.00 H new ATOM 0 HA LYS A 58 9.020 -7.208 10.223 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.801 -8.404 11.790 1.00 1.00 H new ATOM 0 HB3 LYS A 58 9.967 -7.485 13.028 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.458 -9.152 10.970 1.00 1.00 H new ATOM 0 HG3 LYS A 58 9.034 -9.839 12.476 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.381 -8.842 13.696 1.00 1.00 H new ATOM 0 HD3 LYS A 58 7.615 -7.293 12.910 1.00 1.00 H new ATOM 0 HE2 LYS A 58 5.387 -8.028 12.333 1.00 1.00 H new ATOM 0 HE3 LYS A 58 6.361 -8.206 10.887 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 5.018 -10.164 11.286 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 6.666 -10.552 11.415 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 5.723 -10.379 12.816 1.00 1.00 H new ATOM 848 N LYS A 59 9.536 -4.679 12.217 1.00 1.00 N ATOM 849 CA LYS A 59 8.906 -3.512 12.812 1.00 1.00 C ATOM 850 C LYS A 59 9.913 -2.362 12.860 1.00 1.00 C ATOM 851 O LYS A 59 11.064 -2.556 13.250 1.00 1.00 O ATOM 852 CB LYS A 59 8.307 -3.863 14.176 1.00 1.00 C ATOM 853 CG LYS A 59 9.394 -3.928 15.251 1.00 1.00 C ATOM 854 CD LYS A 59 8.780 -3.918 16.653 1.00 1.00 C ATOM 855 CE LYS A 59 8.771 -5.323 17.257 1.00 1.00 C ATOM 856 NZ LYS A 59 7.577 -5.512 18.112 1.00 1.00 N ATOM 0 H LYS A 59 10.550 -4.716 12.321 1.00 1.00 H new ATOM 0 HA LYS A 59 8.069 -3.177 12.199 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.561 -3.118 14.452 1.00 1.00 H new ATOM 0 HB3 LYS A 59 7.792 -4.822 14.115 1.00 1.00 H new ATOM 0 HG2 LYS A 59 9.989 -4.831 15.117 1.00 1.00 H new ATOM 0 HG3 LYS A 59 10.071 -3.081 15.140 1.00 1.00 H new ATOM 0 HD2 LYS A 59 9.346 -3.245 17.297 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.762 -3.532 16.605 1.00 1.00 H new ATOM 0 HE2 LYS A 59 8.777 -6.068 16.461 1.00 1.00 H new ATOM 0 HE3 LYS A 59 9.675 -5.478 17.845 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 7.586 -6.471 18.514 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 7.588 -4.813 18.882 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 6.717 -5.385 17.541 1.00 1.00 H new ATOM 869 N GLY A 60 9.445 -1.190 12.459 1.00 1.00 N ATOM 870 CA GLY A 60 10.291 -0.008 12.451 1.00 1.00 C ATOM 871 C GLY A 60 10.034 0.842 11.205 1.00 1.00 C ATOM 872 O GLY A 60 9.174 0.512 10.390 1.00 1.00 O ATOM 0 H GLY A 60 8.490 -1.033 12.137 1.00 1.00 H new ATOM 0 HA2 GLY A 60 10.102 0.585 13.346 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.339 -0.306 12.482 1.00 1.00 H new ATOM 876 N GLU A 61 10.797 1.920 11.096 1.00 1.00 N ATOM 877 CA GLU A 61 10.663 2.819 9.963 1.00 1.00 C ATOM 878 C GLU A 61 11.502 2.319 8.786 1.00 1.00 C ATOM 879 O GLU A 61 11.759 3.064 7.841 1.00 1.00 O ATOM 880 CB GLU A 61 11.055 4.247 10.348 1.00 1.00 C ATOM 881 CG GLU A 61 12.336 4.258 11.185 1.00 1.00 C ATOM 882 CD GLU A 61 12.016 4.377 12.676 1.00 1.00 C ATOM 883 OE1 GLU A 61 12.386 5.375 13.312 1.00 1.00 O ATOM 884 OE2 GLU A 61 11.357 3.385 13.173 1.00 1.00 O ATOM 0 H GLU A 61 11.510 2.191 11.774 1.00 1.00 H new ATOM 0 HA GLU A 61 9.617 2.834 9.657 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.200 4.843 9.447 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.245 4.711 10.911 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.902 3.344 11.003 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.968 5.091 10.878 1.00 1.00 H new ATOM 892 N LYS A 62 11.905 1.060 8.880 1.00 1.00 N ATOM 893 CA LYS A 62 12.709 0.451 7.834 1.00 1.00 C ATOM 894 C LYS A 62 12.141 -0.929 7.498 1.00 1.00 C ATOM 895 O LYS A 62 12.893 -1.871 7.252 1.00 1.00 O ATOM 896 CB LYS A 62 14.184 0.427 8.239 1.00 1.00 C ATOM 897 CG LYS A 62 14.708 1.843 8.485 1.00 1.00 C ATOM 898 CD LYS A 62 15.807 2.203 7.483 1.00 1.00 C ATOM 899 CE LYS A 62 17.173 2.272 8.168 1.00 1.00 C ATOM 900 NZ LYS A 62 17.317 3.543 8.911 1.00 1.00 N ATOM 0 H LYS A 62 11.690 0.445 9.665 1.00 1.00 H new ATOM 0 HA LYS A 62 12.662 1.046 6.922 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.307 -0.172 9.141 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.772 -0.051 7.456 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.889 2.557 8.403 1.00 1.00 H new ATOM 0 HG3 LYS A 62 15.097 1.919 9.500 1.00 1.00 H new ATOM 0 HD2 LYS A 62 15.834 1.461 6.685 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.580 3.163 7.019 1.00 1.00 H new ATOM 0 HE2 LYS A 62 17.287 1.430 8.851 1.00 1.00 H new ATOM 0 HE3 LYS A 62 17.964 2.188 7.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 18.250 3.573 9.370 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 17.229 4.342 8.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 16.573 3.608 9.635 1.00 1.00 H new ATOM 913 N SER A 63 10.818 -1.006 7.500 1.00 1.00 N ATOM 914 CA SER A 63 10.140 -2.255 7.198 1.00 1.00 C ATOM 915 C SER A 63 8.975 -2.000 6.240 1.00 1.00 C ATOM 916 O SER A 63 8.295 -0.981 6.341 1.00 1.00 O ATOM 917 CB SER A 63 9.639 -2.932 8.476 1.00 1.00 C ATOM 918 OG SER A 63 9.526 -4.344 8.323 1.00 1.00 O ATOM 0 H SER A 63 10.197 -0.223 7.706 1.00 1.00 H new ATOM 0 HA SER A 63 10.854 -2.925 6.720 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.322 -2.710 9.296 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.668 -2.518 8.749 1.00 1.00 H new ATOM 0 HG SER A 63 8.925 -4.700 9.010 1.00 1.00 H new ATOM 924 N LEU A 64 8.781 -2.945 5.331 1.00 1.00 N ATOM 925 CA LEU A 64 7.710 -2.836 4.356 1.00 1.00 C ATOM 926 C LEU A 64 6.550 -3.741 4.775 1.00 1.00 C ATOM 927 O LEU A 64 5.898 -4.389 3.958 1.00 1.00 O ATOM 928 CB LEU A 64 8.236 -3.123 2.948 1.00 1.00 C ATOM 929 CG LEU A 64 7.242 -2.909 1.804 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.798 -1.447 1.729 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.821 -3.401 0.476 1.00 1.00 C ATOM 0 H LEU A 64 9.348 -3.789 5.250 1.00 1.00 H new ATOM 0 HA LEU A 64 7.325 -1.817 4.326 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.106 -2.490 2.770 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.581 -4.156 2.914 1.00 1.00 H new ATOM 0 HG LEU A 64 6.353 -3.505 2.008 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.092 -1.323 0.908 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.318 -1.164 2.666 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.667 -0.811 1.560 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.095 -3.237 -0.320 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.735 -2.852 0.252 1.00 1.00 H new ATOM 0 HD23 LEU A 64 8.046 -4.465 0.549 1.00 1.00 H new ATOM 943 N TYR A 65 6.303 -3.771 6.086 1.00 1.00 N ATOM 944 CA TYR A 65 5.239 -4.581 6.644 1.00 1.00 C ATOM 945 C TYR A 65 4.406 -3.747 7.608 1.00 1.00 C ATOM 946 O TYR A 65 3.194 -3.924 7.699 1.00 1.00 O ATOM 947 CB TYR A 65 5.841 -5.790 7.356 1.00 1.00 C ATOM 948 CG TYR A 65 4.944 -6.368 8.425 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.972 -7.317 8.085 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.086 -5.955 9.755 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.141 -7.852 9.076 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.255 -6.491 10.746 1.00 1.00 C ATOM 953 CZ TYR A 65 3.282 -7.439 10.407 1.00 1.00 C ATOM 954 OH TYR A 65 2.472 -7.961 11.373 1.00 1.00 O ATOM 0 H TYR A 65 6.832 -3.239 6.777 1.00 1.00 H new ATOM 0 HA TYR A 65 4.588 -4.934 5.844 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.060 -6.563 6.620 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.790 -5.501 7.807 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.864 -7.636 7.059 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.836 -5.223 10.016 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.391 -8.584 8.814 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.365 -6.173 11.772 1.00 1.00 H new ATOM 0 HH TYR A 65 2.703 -7.568 12.241 1.00 1.00 H new ATOM 964 N TYR A 66 5.062 -2.835 8.329 1.00 1.00 N ATOM 965 CA TYR A 66 4.380 -1.982 9.281 1.00 1.00 C ATOM 966 C TYR A 66 3.874 -0.729 8.581 1.00 1.00 C ATOM 967 O TYR A 66 3.247 0.105 9.233 1.00 1.00 O ATOM 968 CB TYR A 66 5.337 -1.619 10.413 1.00 1.00 C ATOM 969 CG TYR A 66 4.729 -0.702 11.446 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.915 -1.228 12.457 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.978 0.675 11.394 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.352 -0.378 13.416 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.414 1.525 12.353 1.00 1.00 C ATOM 974 CZ TYR A 66 3.601 0.999 13.364 1.00 1.00 C ATOM 975 OH TYR A 66 3.052 1.827 14.298 1.00 1.00 O ATOM 0 H TYR A 66 6.067 -2.675 8.265 1.00 1.00 H new ATOM 0 HA TYR A 66 3.524 -2.510 9.701 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.671 -2.534 10.903 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.222 -1.142 9.991 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.722 -2.290 12.497 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.605 1.081 10.614 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.725 -0.784 14.196 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.606 2.587 12.313 1.00 1.00 H new ATOM 0 HH TYR A 66 3.326 2.751 14.118 1.00 1.00 H new ATOM 985 N VAL A 67 4.148 -0.619 7.289 1.00 1.00 N ATOM 986 CA VAL A 67 3.709 0.538 6.527 1.00 1.00 C ATOM 987 C VAL A 67 2.773 0.080 5.407 1.00 1.00 C ATOM 988 O VAL A 67 2.308 0.894 4.610 1.00 1.00 O ATOM 989 CB VAL A 67 4.922 1.315 6.012 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.875 1.666 7.156 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.648 0.535 4.914 1.00 1.00 C ATOM 0 H VAL A 67 4.668 -1.312 6.751 1.00 1.00 H new ATOM 0 HA VAL A 67 3.146 1.223 7.161 1.00 1.00 H new ATOM 0 HB VAL A 67 4.562 2.248 5.578 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.728 2.218 6.762 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.353 2.280 7.889 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.224 0.750 7.633 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.506 1.110 4.566 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.989 -0.421 5.312 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.967 0.359 4.081 1.00 1.00 H new ATOM 1001 N VAL A 68 2.524 -1.221 5.381 1.00 1.00 N ATOM 1002 CA VAL A 68 1.652 -1.796 4.372 1.00 1.00 C ATOM 1003 C VAL A 68 0.270 -2.044 4.980 1.00 1.00 C ATOM 1004 O VAL A 68 -0.749 -1.671 4.403 1.00 1.00 O ATOM 1005 CB VAL A 68 2.286 -3.062 3.793 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.213 -4.056 3.342 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.236 -2.723 2.643 1.00 1.00 C ATOM 0 H VAL A 68 2.911 -1.893 6.043 1.00 1.00 H new ATOM 0 HA VAL A 68 1.522 -1.104 3.540 1.00 1.00 H new ATOM 0 HB VAL A 68 2.870 -3.535 4.582 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.691 -4.947 2.934 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.593 -4.334 4.195 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.590 -3.596 2.575 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.673 -3.641 2.250 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.683 -2.216 1.852 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.029 -2.070 3.007 1.00 1.00 H new ATOM 1017 N HIS A 69 0.276 -2.679 6.153 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.944 -3.003 6.884 1.00 1.00 C ATOM 1019 C HIS A 69 -1.242 -1.898 7.914 1.00 1.00 C ATOM 1020 O HIS A 69 -2.081 -1.033 7.668 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.804 -4.409 7.487 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.310 -5.498 6.563 1.00 1.00 C ATOM 1023 ND1 HIS A 69 0.988 -5.766 6.396 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.990 -6.382 5.759 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.113 -6.778 5.522 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.078 -7.195 5.097 1.00 1.00 N ATOM 0 H HIS A 69 1.130 -2.982 6.621 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.810 -3.032 6.223 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -0.123 -4.349 8.336 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.776 -4.710 7.878 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.758 -5.281 6.857 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -2.064 -6.436 5.658 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.056 -7.199 5.205 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.542 -1.967 9.037 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.724 -0.986 10.093 1.00 1.00 C ATOM 1036 C ALA A 70 -2.004 -0.190 9.829 1.00 1.00 C ATOM 1037 O ALA A 70 -1.963 0.866 9.198 1.00 1.00 O ATOM 1038 CB ALA A 70 0.513 -0.090 10.177 1.00 1.00 C ATOM 0 H ALA A 70 0.152 -2.687 9.238 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.835 -1.479 11.059 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.376 0.646 10.969 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.390 -0.700 10.396 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.656 0.423 9.226 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.109 -0.725 10.324 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.398 -0.078 10.149 1.00 1.00 C ATOM 1046 C ARG A 71 -4.663 0.896 11.299 1.00 1.00 C ATOM 1047 O ARG A 71 -5.812 1.245 11.570 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.529 -1.108 10.091 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.840 -1.659 11.484 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.820 -2.722 11.894 1.00 1.00 C ATOM 1051 NE ARG A 71 -5.483 -3.780 12.689 1.00 1.00 N ATOM 1052 CZ ARG A 71 -4.940 -4.991 12.939 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.719 -5.307 12.459 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -5.622 -5.861 13.661 1.00 1.00 N ATOM 0 H ARG A 71 -3.139 -1.600 10.847 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.370 0.467 9.205 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.423 -0.648 9.670 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.248 -1.925 9.427 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.835 -0.846 12.210 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -6.842 -2.088 11.494 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -4.359 -3.157 11.007 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.020 -2.265 12.477 1.00 1.00 H new ATOM 0 HE ARG A 71 -6.407 -3.582 13.072 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.199 -4.629 11.903 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.317 -6.224 12.653 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -6.544 -5.614 14.020 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -5.227 -6.780 13.859 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.582 1.307 11.945 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.684 2.234 13.060 1.00 1.00 C ATOM 1066 C GLY A 72 -3.286 3.649 12.634 1.00 1.00 C ATOM 1067 O GLY A 72 -3.136 3.924 11.445 1.00 1.00 O ATOM 0 H GLY A 72 -2.631 1.015 11.718 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.705 2.239 13.442 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.041 1.901 13.875 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.126 4.509 13.630 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.749 5.888 13.373 1.00 1.00 C ATOM 1073 C GLU A 73 -1.252 5.981 13.068 1.00 1.00 C ATOM 1074 O GLU A 73 -0.424 5.897 13.974 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.125 6.788 14.553 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.497 7.429 14.337 1.00 1.00 C ATOM 1077 CD GLU A 73 -4.356 8.873 13.850 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -3.473 9.168 13.031 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -5.207 9.703 14.351 1.00 1.00 O ATOM 0 H GLU A 73 -3.251 4.277 14.615 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.300 6.239 12.501 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.133 6.203 15.473 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.371 7.566 14.677 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -5.063 6.849 13.608 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -5.063 7.409 15.269 1.00 1.00 H new ATOM 1087 N LEU A 74 -0.951 6.154 11.790 1.00 1.00 N ATOM 1088 CA LEU A 74 0.431 6.259 11.354 1.00 1.00 C ATOM 1089 C LEU A 74 0.709 7.692 10.894 1.00 1.00 C ATOM 1090 O LEU A 74 -0.219 8.473 10.690 1.00 1.00 O ATOM 1091 CB LEU A 74 0.740 5.202 10.292 1.00 1.00 C ATOM 1092 CG LEU A 74 0.496 3.748 10.702 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.664 2.806 9.508 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.392 3.351 11.876 1.00 1.00 C ATOM 0 H LEU A 74 -1.641 6.224 11.042 1.00 1.00 H new ATOM 0 HA LEU A 74 1.108 6.052 12.183 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.138 5.416 9.409 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.784 5.305 9.998 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.536 3.658 11.041 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.485 1.779 9.827 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.051 3.074 8.730 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.677 2.893 9.116 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.198 2.313 12.147 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.438 3.462 11.589 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.180 3.995 12.730 1.00 1.00 H new ATOM 1106 N LYS A 75 1.990 7.994 10.745 1.00 1.00 N ATOM 1107 CA LYS A 75 2.402 9.318 10.314 1.00 1.00 C ATOM 1108 C LYS A 75 1.637 9.697 9.043 1.00 1.00 C ATOM 1109 O LYS A 75 1.355 10.871 8.811 1.00 1.00 O ATOM 1110 CB LYS A 75 3.922 9.383 10.158 1.00 1.00 C ATOM 1111 CG LYS A 75 4.584 9.880 11.445 1.00 1.00 C ATOM 1112 CD LYS A 75 5.361 11.175 11.198 1.00 1.00 C ATOM 1113 CE LYS A 75 4.540 12.396 11.617 1.00 1.00 C ATOM 1114 NZ LYS A 75 5.093 12.993 12.853 1.00 1.00 N ATOM 0 H LYS A 75 2.757 7.343 10.915 1.00 1.00 H new ATOM 0 HA LYS A 75 2.151 10.060 11.072 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.308 8.396 9.904 1.00 1.00 H new ATOM 0 HB3 LYS A 75 4.179 10.047 9.333 1.00 1.00 H new ATOM 0 HG2 LYS A 75 3.824 10.048 12.208 1.00 1.00 H new ATOM 0 HG3 LYS A 75 5.258 9.115 11.830 1.00 1.00 H new ATOM 0 HD2 LYS A 75 6.297 11.153 11.756 1.00 1.00 H new ATOM 0 HD3 LYS A 75 5.620 11.252 10.142 1.00 1.00 H new ATOM 0 HE2 LYS A 75 4.543 13.136 10.816 1.00 1.00 H new ATOM 0 HE3 LYS A 75 3.502 12.105 11.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 4.524 13.821 13.123 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 5.068 12.290 13.619 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 6.076 13.288 12.686 1.00 1.00 H new ATOM 1127 N HIS A 76 1.323 8.679 8.255 1.00 1.00 N ATOM 1128 CA HIS A 76 0.597 8.890 7.014 1.00 1.00 C ATOM 1129 C HIS A 76 -0.675 8.040 7.013 1.00 1.00 C ATOM 1130 O HIS A 76 -1.294 7.841 8.058 1.00 1.00 O ATOM 1131 CB HIS A 76 1.494 8.616 5.806 1.00 1.00 C ATOM 1132 CG HIS A 76 2.859 9.257 5.896 1.00 1.00 C ATOM 1133 ND1 HIS A 76 4.027 8.523 6.000 1.00 1.00 N ATOM 1134 CD2 HIS A 76 3.228 10.570 5.896 1.00 1.00 C ATOM 1135 CE1 HIS A 76 5.047 9.366 6.060 1.00 1.00 C ATOM 1136 NE2 HIS A 76 4.550 10.634 5.996 1.00 1.00 N ATOM 0 H HIS A 76 1.558 7.706 8.452 1.00 1.00 H new ATOM 0 HA HIS A 76 0.295 9.935 6.939 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.617 7.539 5.694 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.994 8.975 4.906 1.00 1.00 H new ATOM 0 HD1 HIS A 76 4.092 7.505 6.026 1.00 1.00 H new ATOM 0 HD2 HIS A 76 2.558 11.414 5.826 1.00 1.00 H new ATOM 0 HE1 HIS A 76 6.089 9.096 6.145 1.00 1.00 H new ATOM 1144 N THR A 77 -1.027 7.561 5.829 1.00 1.00 N ATOM 1145 CA THR A 77 -2.214 6.736 5.679 1.00 1.00 C ATOM 1146 C THR A 77 -1.855 5.398 5.030 1.00 1.00 C ATOM 1147 O THR A 77 -1.612 5.333 3.826 1.00 1.00 O ATOM 1148 CB THR A 77 -3.249 7.537 4.886 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.299 8.795 5.554 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.664 6.977 5.038 1.00 1.00 C ATOM 0 H THR A 77 -0.511 7.728 4.965 1.00 1.00 H new ATOM 0 HA THR A 77 -2.647 6.486 6.648 1.00 1.00 H new ATOM 0 HB THR A 77 -2.973 7.544 3.831 1.00 1.00 H new ATOM 0 HG1 THR A 77 -3.945 9.379 5.104 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.359 7.582 4.456 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.689 5.948 4.679 1.00 1.00 H new ATOM 0 HG23 THR A 77 -4.954 7.001 6.088 1.00 1.00 H new ATOM 1158 N SER A 78 -1.833 4.363 5.856 1.00 1.00 N ATOM 1159 CA SER A 78 -1.507 3.030 5.378 1.00 1.00 C ATOM 1160 C SER A 78 -2.627 2.510 4.474 1.00 1.00 C ATOM 1161 O SER A 78 -3.717 3.079 4.441 1.00 1.00 O ATOM 1162 CB SER A 78 -1.277 2.067 6.545 1.00 1.00 C ATOM 1163 OG SER A 78 -1.451 2.706 7.806 1.00 1.00 O ATOM 0 H SER A 78 -2.036 4.420 6.854 1.00 1.00 H new ATOM 0 HA SER A 78 -0.583 3.089 4.804 1.00 1.00 H new ATOM 0 HB2 SER A 78 -1.969 1.229 6.465 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.269 1.656 6.483 1.00 1.00 H new ATOM 0 HG SER A 78 -1.970 2.124 8.399 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.319 1.436 3.763 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.286 0.833 2.861 1.00 1.00 C ATOM 1171 C CYS A 79 -4.488 0.369 3.685 1.00 1.00 C ATOM 1172 O CYS A 79 -5.585 0.911 3.550 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.671 -0.313 2.055 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.049 0.068 1.295 1.00 1.00 S ATOM 0 H CYS A 79 -1.414 0.967 3.793 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.612 1.571 2.128 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.556 -1.178 2.709 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.368 -0.599 1.267 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.242 -0.628 4.522 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.291 -1.171 5.369 1.00 1.00 C ATOM 1181 C LEU A 80 -6.033 -0.022 6.055 1.00 1.00 C ATOM 1182 O LEU A 80 -7.179 -0.179 6.471 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.714 -2.200 6.343 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.842 -3.666 5.924 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.233 -4.211 6.256 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.493 -3.846 4.446 1.00 1.00 C ATOM 0 H LEU A 80 -3.331 -1.074 4.632 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.024 -1.711 4.769 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.658 -1.977 6.493 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.206 -2.074 7.307 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.122 -4.250 6.498 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.298 -5.255 5.948 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.406 -4.138 7.330 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.988 -3.629 5.727 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.592 -4.897 4.174 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.171 -3.248 3.837 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.467 -3.521 4.272 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.348 1.108 6.151 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.927 2.283 6.779 1.00 1.00 C ATOM 1200 C ALA A 81 -7.134 2.750 5.964 1.00 1.00 C ATOM 1201 O ALA A 81 -8.275 2.615 6.404 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.859 3.370 6.913 1.00 1.00 C ATOM 0 H ALA A 81 -4.397 1.235 5.804 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.279 2.046 7.783 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.294 4.251 7.384 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.037 2.999 7.526 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.484 3.635 5.925 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.842 3.288 4.789 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.890 3.775 3.908 1.00 1.00 C ATOM 1210 C CYS A 82 -8.952 2.682 3.775 1.00 1.00 C ATOM 1211 O CYS A 82 -10.116 2.890 4.113 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.333 4.198 2.547 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.691 4.786 1.470 1.00 1.00 S ATOM 0 H CYS A 82 -5.895 3.397 4.427 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.342 4.670 4.336 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.593 4.988 2.677 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.823 3.358 2.077 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.513 1.526 3.276 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.379 0.370 3.076 1.00 1.00 C ATOM 1220 C HIS A 83 -10.348 0.233 4.265 1.00 1.00 C ATOM 1221 O HIS A 83 -11.449 -0.292 4.108 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.505 -0.869 2.828 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.960 -1.046 1.430 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.656 -2.245 0.923 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.673 -0.131 0.445 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.198 -2.083 -0.329 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.188 -0.797 -0.674 1.00 1.00 N ATOM 0 H HIS A 83 -7.544 1.367 2.999 1.00 1.00 H new ATOM 0 HA HIS A 83 -10.008 0.491 2.194 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.663 -0.836 3.520 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.090 -1.754 3.080 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.756 -3.137 1.408 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.804 0.938 0.528 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.879 -2.890 -0.972 1.00 1.00 H new ATOM 1235 N SER A 84 -9.903 0.714 5.417 1.00 1.00 N ATOM 1236 CA SER A 84 -10.717 0.651 6.619 1.00 1.00 C ATOM 1237 C SER A 84 -11.963 1.523 6.453 1.00 1.00 C ATOM 1238 O SER A 84 -13.080 1.067 6.693 1.00 1.00 O ATOM 1239 CB SER A 84 -9.920 1.092 7.848 1.00 1.00 C ATOM 1240 OG SER A 84 -10.498 0.613 9.059 1.00 1.00 O ATOM 0 H SER A 84 -8.989 1.149 5.543 1.00 1.00 H new ATOM 0 HA SER A 84 -11.023 -0.384 6.771 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.896 0.727 7.766 1.00 1.00 H new ATOM 0 HB3 SER A 84 -9.870 2.180 7.876 1.00 1.00 H new ATOM 0 HG SER A 84 -9.959 0.914 9.820 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.729 2.761 6.045 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.819 3.701 5.845 1.00 1.00 C ATOM 1248 C LYS A 85 -13.691 3.224 4.682 1.00 1.00 C ATOM 1249 O LYS A 85 -14.915 3.338 4.732 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.276 5.121 5.665 1.00 1.00 C ATOM 1251 CG LYS A 85 -11.607 5.619 6.947 1.00 1.00 C ATOM 1252 CD LYS A 85 -10.112 5.293 6.947 1.00 1.00 C ATOM 1253 CE LYS A 85 -9.331 6.304 7.790 1.00 1.00 C ATOM 1254 NZ LYS A 85 -8.189 6.847 7.021 1.00 1.00 N ATOM 0 H LYS A 85 -10.801 3.135 5.847 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.457 3.738 6.728 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.558 5.138 4.845 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.089 5.793 5.390 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -11.748 6.696 7.041 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -12.083 5.159 7.813 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -9.955 4.288 7.340 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -9.735 5.298 5.924 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -9.990 7.116 8.097 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -8.970 5.825 8.700 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -7.670 7.531 7.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -7.553 6.070 6.749 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -8.541 7.321 6.165 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.027 2.701 3.662 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.727 2.206 2.489 1.00 1.00 C ATOM 1269 C VAL A 86 -14.758 1.160 2.918 1.00 1.00 C ATOM 1270 O VAL A 86 -15.904 1.195 2.474 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.721 1.670 1.467 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.428 0.874 0.368 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.886 2.805 0.872 1.00 1.00 C ATOM 0 H VAL A 86 -12.012 2.609 3.623 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.270 3.014 1.999 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.043 0.993 1.987 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.691 0.504 -0.345 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.957 0.031 0.812 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.140 1.519 -0.147 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.180 2.397 0.149 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.543 3.518 0.374 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.339 3.310 1.668 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.313 0.255 3.777 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.183 -0.799 4.271 1.00 1.00 C ATOM 1285 C VAL A 87 -16.429 -0.173 4.899 1.00 1.00 C ATOM 1286 O VAL A 87 -17.490 -0.794 4.933 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.415 -1.701 5.238 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.347 -2.722 5.894 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.250 -2.398 4.531 1.00 1.00 C ATOM 0 H VAL A 87 -13.361 0.230 4.144 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.517 -1.435 3.451 1.00 1.00 H new ATOM 0 HB VAL A 87 -14.001 -1.071 6.025 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.775 -3.351 6.577 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -16.126 -2.199 6.449 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.804 -3.344 5.125 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.721 -3.033 5.241 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.633 -3.009 3.714 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.565 -1.649 4.134 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.259 1.050 5.381 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.357 1.767 6.007 1.00 1.00 C ATOM 1301 C ALA A 88 -18.265 2.348 4.921 1.00 1.00 C ATOM 1302 O ALA A 88 -19.238 3.037 5.224 1.00 1.00 O ATOM 1303 CB ALA A 88 -16.798 2.845 6.938 1.00 1.00 C ATOM 0 H ALA A 88 -15.377 1.562 5.350 1.00 1.00 H new ATOM 0 HA ALA A 88 -17.960 1.092 6.615 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -17.622 3.383 7.408 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.184 2.378 7.708 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.190 3.543 6.363 1.00 1.00 H new ATOM 1309 N GLU A 89 -17.916 2.047 3.679 1.00 1.00 N ATOM 1310 CA GLU A 89 -18.688 2.531 2.547 1.00 1.00 C ATOM 1311 C GLU A 89 -19.059 1.370 1.622 1.00 1.00 C ATOM 1312 O GLU A 89 -20.208 1.248 1.202 1.00 1.00 O ATOM 1313 CB GLU A 89 -17.923 3.615 1.785 1.00 1.00 C ATOM 1314 CG GLU A 89 -18.848 4.773 1.403 1.00 1.00 C ATOM 1315 CD GLU A 89 -18.500 6.036 2.193 1.00 1.00 C ATOM 1316 OE1 GLU A 89 -18.352 5.978 3.423 1.00 1.00 O ATOM 1317 OE2 GLU A 89 -18.383 7.107 1.484 1.00 1.00 O ATOM 0 H GLU A 89 -17.109 1.474 3.432 1.00 1.00 H new ATOM 0 HA GLU A 89 -19.608 2.978 2.924 1.00 1.00 H new ATOM 0 HB2 GLU A 89 -17.103 3.987 2.400 1.00 1.00 H new ATOM 0 HB3 GLU A 89 -17.479 3.188 0.886 1.00 1.00 H new ATOM 0 HG2 GLU A 89 -18.764 4.973 0.335 1.00 1.00 H new ATOM 0 HG3 GLU A 89 -19.884 4.494 1.594 1.00 1.00 H new ATOM 1325 N LYS A 90 -18.063 0.545 1.332 1.00 1.00 N ATOM 1326 CA LYS A 90 -18.270 -0.603 0.465 1.00 1.00 C ATOM 1327 C LYS A 90 -17.740 -1.861 1.156 1.00 1.00 C ATOM 1328 O LYS A 90 -16.685 -2.395 0.819 1.00 1.00 O ATOM 1329 CB LYS A 90 -17.654 -0.351 -0.912 1.00 1.00 C ATOM 1330 CG LYS A 90 -18.538 -0.924 -2.022 1.00 1.00 C ATOM 1331 CD LYS A 90 -19.256 0.193 -2.782 1.00 1.00 C ATOM 1332 CE LYS A 90 -20.617 -0.280 -3.296 1.00 1.00 C ATOM 1333 NZ LYS A 90 -21.537 -0.536 -2.165 1.00 1.00 N ATOM 0 H LYS A 90 -17.111 0.649 1.682 1.00 1.00 H new ATOM 0 HA LYS A 90 -19.334 -0.761 0.289 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -17.521 0.720 -1.064 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -16.664 -0.805 -0.960 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -17.928 -1.506 -2.713 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -19.271 -1.606 -1.592 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -19.390 1.055 -2.128 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -18.641 0.521 -3.620 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -21.045 0.474 -3.957 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -20.494 -1.189 -3.886 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -22.519 -0.406 -2.480 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -21.408 -1.511 -1.827 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -21.331 0.129 -1.392 1.00 1.00 H new ATOM 1346 N PRO A 91 -18.506 -2.327 2.144 1.00 1.00 N ATOM 1347 CA PRO A 91 -18.198 -3.503 2.930 1.00 1.00 C ATOM 1348 C PRO A 91 -18.615 -4.751 2.165 1.00 1.00 C ATOM 1349 O PRO A 91 -18.837 -5.786 2.793 1.00 1.00 O ATOM 1350 CB PRO A 91 -19.018 -3.345 4.209 1.00 1.00 C ATOM 1351 CG PRO A 91 -20.160 -2.497 3.819 1.00 1.00 C ATOM 1352 CD PRO A 91 -19.752 -1.724 2.566 1.00 1.00 C ATOM 0 HA PRO A 91 -17.134 -3.603 3.146 1.00 1.00 H new ATOM 0 HB2 PRO A 91 -19.353 -4.311 4.587 1.00 1.00 H new ATOM 0 HB3 PRO A 91 -18.431 -2.879 5.001 1.00 1.00 H new ATOM 0 HG2 PRO A 91 -21.041 -3.108 3.623 1.00 1.00 H new ATOM 0 HG3 PRO A 91 -20.421 -1.811 4.625 1.00 1.00 H new ATOM 0 HD2 PRO A 91 -20.512 -1.803 1.789 1.00 1.00 H new ATOM 0 HD3 PRO A 91 -19.624 -0.663 2.781 1.00 1.00 H new ATOM 1360 N GLU A 92 -18.715 -4.636 0.849 1.00 1.00 N ATOM 1361 CA GLU A 92 -19.107 -5.768 0.027 1.00 1.00 C ATOM 1362 C GLU A 92 -17.875 -6.569 -0.397 1.00 1.00 C ATOM 1363 O GLU A 92 -17.892 -7.245 -1.425 1.00 1.00 O ATOM 1364 CB GLU A 92 -19.908 -5.307 -1.193 1.00 1.00 C ATOM 1365 CG GLU A 92 -19.052 -4.433 -2.112 1.00 1.00 C ATOM 1366 CD GLU A 92 -18.723 -5.165 -3.415 1.00 1.00 C ATOM 1367 OE1 GLU A 92 -17.679 -5.828 -3.507 1.00 1.00 O ATOM 1368 OE2 GLU A 92 -19.597 -5.028 -4.353 1.00 1.00 O ATOM 0 H GLU A 92 -18.531 -3.776 0.332 1.00 1.00 H new ATOM 0 HA GLU A 92 -19.751 -6.417 0.620 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -20.270 -6.175 -1.744 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -20.785 -4.748 -0.867 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -19.581 -3.506 -2.335 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -18.129 -4.158 -1.602 1.00 1.00 H new ATOM 1376 N LEU A 93 -16.834 -6.467 0.417 1.00 1.00 N ATOM 1377 CA LEU A 93 -15.595 -7.174 0.139 1.00 1.00 C ATOM 1378 C LEU A 93 -15.247 -8.070 1.329 1.00 1.00 C ATOM 1379 O LEU A 93 -15.213 -9.293 1.201 1.00 1.00 O ATOM 1380 CB LEU A 93 -14.487 -6.187 -0.233 1.00 1.00 C ATOM 1381 CG LEU A 93 -14.945 -4.784 -0.634 1.00 1.00 C ATOM 1382 CD1 LEU A 93 -14.426 -3.734 0.351 1.00 1.00 C ATOM 1383 CD2 LEU A 93 -14.541 -4.466 -2.075 1.00 1.00 C ATOM 0 H LEU A 93 -16.823 -5.906 1.269 1.00 1.00 H new ATOM 0 HA LEU A 93 -15.713 -7.825 -0.727 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -13.808 -6.097 0.615 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -13.913 -6.610 -1.058 1.00 1.00 H new ATOM 0 HG LEU A 93 -16.034 -4.756 -0.591 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -14.766 -2.746 0.042 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -14.805 -3.953 1.349 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -13.336 -3.755 0.364 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -14.879 -3.463 -2.335 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -13.456 -4.519 -2.169 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -15.000 -5.189 -2.749 1.00 1.00 H new ATOM 1395 N LYS A 94 -14.997 -7.427 2.460 1.00 1.00 N ATOM 1396 CA LYS A 94 -14.652 -8.151 3.672 1.00 1.00 C ATOM 1397 C LYS A 94 -13.255 -8.757 3.519 1.00 1.00 C ATOM 1398 O LYS A 94 -12.255 -8.096 3.793 1.00 1.00 O ATOM 1399 CB LYS A 94 -15.735 -9.178 4.009 1.00 1.00 C ATOM 1400 CG LYS A 94 -15.394 -9.932 5.296 1.00 1.00 C ATOM 1401 CD LYS A 94 -15.946 -11.359 5.258 1.00 1.00 C ATOM 1402 CE LYS A 94 -15.579 -12.122 6.532 1.00 1.00 C ATOM 1403 NZ LYS A 94 -16.753 -12.859 7.051 1.00 1.00 N ATOM 0 H LYS A 94 -15.026 -6.413 2.563 1.00 1.00 H new ATOM 0 HA LYS A 94 -14.613 -7.472 4.524 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -16.696 -8.675 4.121 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -15.840 -9.885 3.186 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -14.313 -9.960 5.430 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -15.808 -9.401 6.153 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -17.030 -11.331 5.146 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -15.549 -11.883 4.389 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -14.767 -12.819 6.324 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -15.216 -11.426 7.288 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -16.487 -13.371 7.916 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -17.517 -12.187 7.268 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -17.082 -13.537 6.334 1.00 1.00 H new ATOM 1416 N LYS A 95 -13.232 -10.008 3.083 1.00 1.00 N ATOM 1417 CA LYS A 95 -11.975 -10.710 2.890 1.00 1.00 C ATOM 1418 C LYS A 95 -11.491 -10.496 1.455 1.00 1.00 C ATOM 1419 O LYS A 95 -10.917 -11.400 0.848 1.00 1.00 O ATOM 1420 CB LYS A 95 -12.120 -12.183 3.277 1.00 1.00 C ATOM 1421 CG LYS A 95 -13.019 -12.925 2.286 1.00 1.00 C ATOM 1422 CD LYS A 95 -14.045 -13.792 3.019 1.00 1.00 C ATOM 1423 CE LYS A 95 -14.066 -15.213 2.452 1.00 1.00 C ATOM 1424 NZ LYS A 95 -13.090 -16.069 3.161 1.00 1.00 N ATOM 0 H LYS A 95 -14.064 -10.553 2.858 1.00 1.00 H new ATOM 0 HA LYS A 95 -11.207 -10.305 3.549 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -11.137 -12.654 3.305 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -12.538 -12.259 4.281 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -13.534 -12.206 1.648 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -12.409 -13.550 1.634 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -13.806 -13.824 4.082 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -15.035 -13.346 2.928 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -15.066 -15.635 2.549 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -13.832 -15.190 1.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -13.118 -17.030 2.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -12.135 -15.674 3.047 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -13.331 -16.106 4.172 1.00 1.00 H new ATOM 1437 N ASP A 96 -11.739 -9.295 0.953 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.335 -8.951 -0.400 1.00 1.00 C ATOM 1439 C ASP A 96 -10.370 -7.765 -0.353 1.00 1.00 C ATOM 1440 O ASP A 96 -9.378 -7.739 -1.080 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.542 -8.545 -1.248 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.903 -9.523 -2.368 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -13.247 -10.687 -2.114 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -12.819 -9.039 -3.562 1.00 1.00 O ATOM 0 H ASP A 96 -12.215 -8.548 1.459 1.00 1.00 H new ATOM 0 HA ASP A 96 -10.860 -9.826 -0.844 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.406 -8.431 -0.593 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.345 -7.568 -1.689 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.694 -6.813 0.509 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.868 -5.627 0.660 1.00 1.00 C ATOM 1452 C LEU A 97 -9.150 -5.680 2.010 1.00 1.00 C ATOM 1453 O LEU A 97 -8.090 -5.077 2.177 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.704 -4.362 0.457 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.391 -4.223 -0.903 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.763 -2.766 -1.183 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.528 -4.819 -2.017 1.00 1.00 C ATOM 0 H LEU A 97 -11.517 -6.839 1.110 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.098 -5.598 -0.111 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.468 -4.327 1.233 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -10.059 -3.496 0.606 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.320 -4.793 -0.876 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.250 -2.695 -2.156 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.444 -2.409 -0.410 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.861 -2.154 -1.183 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.040 -4.707 -2.973 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.571 -4.298 -2.054 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.357 -5.877 -1.819 1.00 1.00 H new ATOM 1469 N THR A 98 -9.755 -6.405 2.938 1.00 1.00 N ATOM 1470 CA THR A 98 -9.187 -6.544 4.268 1.00 1.00 C ATOM 1471 C THR A 98 -9.111 -8.020 4.664 1.00 1.00 C ATOM 1472 O THR A 98 -9.320 -8.367 5.826 1.00 1.00 O ATOM 1473 CB THR A 98 -10.024 -5.699 5.231 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.143 -6.527 5.536 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.640 -4.475 4.551 1.00 1.00 C ATOM 0 H THR A 98 -10.634 -6.903 2.795 1.00 1.00 H new ATOM 0 HA THR A 98 -8.161 -6.178 4.300 1.00 1.00 H new ATOM 0 HB THR A 98 -9.402 -5.376 6.066 1.00 1.00 H new ATOM 0 HG1 THR A 98 -11.588 -6.795 4.705 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.224 -3.910 5.278 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.847 -3.843 4.152 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.289 -4.799 3.738 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.810 -8.850 3.676 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.704 -10.281 3.907 1.00 1.00 C ATOM 1485 C GLY A 99 -7.242 -10.731 3.897 1.00 1.00 C ATOM 1486 O GLY A 99 -6.491 -10.395 2.981 1.00 1.00 O ATOM 0 H GLY A 99 -8.636 -8.559 2.714 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.159 -10.533 4.865 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.259 -10.819 3.139 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.880 -11.484 4.925 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.521 -11.983 5.046 1.00 1.00 C ATOM 1492 C CYS A 100 -5.294 -13.029 3.952 1.00 1.00 C ATOM 1493 O CYS A 100 -4.173 -13.202 3.477 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.248 -12.548 6.441 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.485 -11.358 7.811 1.00 1.00 S ATOM 0 H CYS A 100 -7.505 -11.761 5.682 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.816 -11.162 4.914 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.902 -13.404 6.605 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.223 -12.919 6.473 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.377 -13.699 3.585 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.310 -14.722 2.556 1.00 1.00 C ATOM 1502 C ALA A 101 -7.548 -14.623 1.662 1.00 1.00 C ATOM 1503 O ALA A 101 -8.464 -13.854 1.948 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.174 -16.098 3.212 1.00 1.00 C ATOM 0 H ALA A 101 -7.305 -13.553 3.982 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.434 -14.573 1.924 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.124 -16.866 2.440 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.265 -16.127 3.812 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.037 -16.283 3.852 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.535 -15.412 0.598 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.645 -15.422 -0.339 1.00 1.00 C ATOM 1512 C LYS A 102 -9.072 -13.983 -0.633 1.00 1.00 C ATOM 1513 O LYS A 102 -10.261 -13.669 -0.618 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.780 -16.306 0.183 1.00 1.00 C ATOM 1515 CG LYS A 102 -9.959 -17.545 -0.695 1.00 1.00 C ATOM 1516 CD LYS A 102 -11.169 -18.366 -0.245 1.00 1.00 C ATOM 1517 CE LYS A 102 -11.387 -19.570 -1.164 1.00 1.00 C ATOM 1518 NZ LYS A 102 -12.811 -19.676 -1.551 1.00 1.00 N ATOM 0 H LYS A 102 -6.773 -16.049 0.364 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.338 -15.864 -1.287 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.567 -16.610 1.208 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.708 -15.735 0.206 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -10.086 -17.243 -1.735 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -9.060 -18.160 -0.649 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -11.020 -18.708 0.779 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -12.060 -17.738 -0.245 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -10.768 -19.471 -2.056 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -11.073 -20.483 -0.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -12.941 -20.498 -2.174 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -13.395 -19.792 -0.698 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -13.100 -18.812 -2.053 1.00 1.00 H new ATOM 1531 N SER A 103 -8.078 -13.146 -0.895 1.00 1.00 N ATOM 1532 CA SER A 103 -8.336 -11.748 -1.192 1.00 1.00 C ATOM 1533 C SER A 103 -7.601 -11.340 -2.470 1.00 1.00 C ATOM 1534 O SER A 103 -6.992 -12.178 -3.134 1.00 1.00 O ATOM 1535 CB SER A 103 -7.913 -10.850 -0.027 1.00 1.00 C ATOM 1536 OG SER A 103 -6.496 -10.782 0.107 1.00 1.00 O ATOM 0 H SER A 103 -7.093 -13.410 -0.908 1.00 1.00 H new ATOM 0 HA SER A 103 -9.408 -11.623 -1.341 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.311 -9.847 -0.179 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.347 -11.228 0.899 1.00 1.00 H new ATOM 0 HG SER A 103 -6.263 -10.630 1.047 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.682 -10.054 -2.777 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.032 -9.525 -3.964 1.00 1.00 C ATOM 1544 C LYS A 104 -5.578 -9.181 -3.634 1.00 1.00 C ATOM 1545 O LYS A 104 -4.804 -8.825 -4.521 1.00 1.00 O ATOM 1546 CB LYS A 104 -7.828 -8.348 -4.532 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.325 -8.518 -4.263 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.157 -7.742 -5.286 1.00 1.00 C ATOM 1549 CE LYS A 104 -10.939 -8.694 -6.192 1.00 1.00 C ATOM 1550 NZ LYS A 104 -11.271 -8.034 -7.474 1.00 1.00 N ATOM 0 H LYS A 104 -8.188 -9.362 -2.224 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.011 -10.277 -4.753 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.478 -7.418 -4.085 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -7.654 -8.271 -5.605 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.587 -9.575 -4.302 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -9.560 -8.168 -3.258 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -10.848 -7.077 -4.768 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -9.503 -7.114 -5.891 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -10.350 -9.592 -6.380 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -11.854 -9.012 -5.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -11.802 -8.694 -8.077 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.851 -7.190 -7.290 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -10.394 -7.753 -7.957 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.251 -9.301 -2.356 1.00 1.00 N ATOM 1564 CA CYS A 105 -3.904 -9.008 -1.897 1.00 1.00 C ATOM 1565 C CYS A 105 -3.190 -10.333 -1.624 1.00 1.00 C ATOM 1566 O CYS A 105 -2.047 -10.530 -2.032 1.00 1.00 O ATOM 1567 CB CYS A 105 -3.910 -8.099 -0.667 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.565 -6.371 -1.163 1.00 1.00 S ATOM 0 H CYS A 105 -5.896 -9.597 -1.623 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.366 -8.459 -2.670 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.877 -8.156 -0.167 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.161 -8.437 0.049 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.899 -11.222 -0.927 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.386 -12.539 -0.570 1.00 1.00 C ATOM 1575 C HIS A 106 -4.334 -13.629 -1.102 1.00 1.00 C ATOM 1576 O HIS A 106 -5.176 -14.161 -0.382 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.155 -12.588 0.948 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.110 -11.650 1.507 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.839 -11.660 1.095 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.194 -10.668 2.465 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.157 -10.721 1.769 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.946 -10.079 2.629 1.00 1.00 N ATOM 0 H HIS A 106 -4.847 -11.046 -0.595 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.421 -12.732 -1.039 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.102 -12.376 1.443 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.876 -13.607 1.217 1.00 1.00 H new ATOM 0 HD1 HIS A 106 -0.451 -12.280 0.384 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.089 -10.397 3.005 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.894 -10.513 1.632 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.173 -13.949 -2.388 1.00 1.00 N ATOM 1591 CA PRO A 107 -4.956 -14.946 -3.085 1.00 1.00 C ATOM 1592 C PRO A 107 -4.575 -16.333 -2.587 1.00 1.00 C ATOM 1593 O PRO A 107 -3.509 -16.514 -2.003 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.590 -14.773 -4.557 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.809 -13.422 -4.658 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.193 -13.343 -3.263 1.00 1.00 C ATOM 0 HA PRO A 107 -6.028 -14.833 -2.924 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -3.977 -15.604 -4.906 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.484 -14.753 -5.180 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.053 -13.439 -5.443 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.467 -12.579 -4.868 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.243 -13.875 -3.220 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -2.993 -12.310 -2.977 1.00 1.00 H new TER 1604 PRO A 107 HETATM 1605 CHA HEM A 233 4.563 3.057 -7.729 1.00 1.00 C HETATM 1606 CHB HEM A 233 2.819 6.949 -10.081 1.00 1.00 C HETATM 1607 CHC HEM A 233 -1.001 7.076 -7.063 1.00 1.00 C HETATM 1608 CHD HEM A 233 0.588 2.976 -4.916 1.00 1.00 C HETATM 1609 C1A HEM A 233 4.423 4.124 -8.611 1.00 1.00 C HETATM 1610 C2A HEM A 233 5.395 4.478 -9.618 1.00 1.00 C HETATM 1611 C3A HEM A 233 4.915 5.556 -10.271 1.00 1.00 C HETATM 1612 C4A HEM A 233 3.640 5.881 -9.676 1.00 1.00 C HETATM 1613 CMA HEM A 233 5.549 6.308 -11.406 1.00 1.00 C HETATM 1614 CAA HEM A 233 6.687 3.752 -9.857 1.00 1.00 C HETATM 1615 CBA HEM A 233 7.651 3.794 -8.674 1.00 1.00 C HETATM 1616 CGA HEM A 233 8.425 2.489 -8.551 1.00 1.00 C HETATM 1617 O1A HEM A 233 9.604 2.488 -8.965 1.00 1.00 O HETATM 1618 O2A HEM A 233 7.822 1.517 -8.047 1.00 1.00 O HETATM 1619 C1B HEM A 233 1.648 7.333 -9.436 1.00 1.00 C HETATM 1620 C2B HEM A 233 0.886 8.513 -9.771 1.00 1.00 C HETATM 1621 C3B HEM A 233 -0.173 8.551 -8.936 1.00 1.00 C HETATM 1622 C4B HEM A 233 -0.078 7.395 -8.076 1.00 1.00 C HETATM 1623 CMB HEM A 233 1.245 9.488 -10.854 1.00 1.00 C HETATM 1624 CAB HEM A 233 -1.266 9.578 -8.876 1.00 1.00 C HETATM 1625 CBB HEM A 233 -1.986 9.797 -10.203 1.00 1.00 C HETATM 1626 C1C HEM A 233 -0.909 5.943 -6.210 1.00 1.00 C HETATM 1627 C2C HEM A 233 -1.801 5.662 -5.109 1.00 1.00 C HETATM 1628 C3C HEM A 233 -1.351 4.539 -4.510 1.00 1.00 C HETATM 1629 C4C HEM A 233 -0.176 4.114 -5.233 1.00 1.00 C HETATM 1630 CMC HEM A 233 -2.995 6.492 -4.739 1.00 1.00 C HETATM 1631 CAC HEM A 233 -1.928 3.833 -3.318 1.00 1.00 C HETATM 1632 CBC HEM A 233 -3.439 3.630 -3.389 1.00 1.00 C HETATM 1633 C1D HEM A 233 1.822 2.672 -5.481 1.00 1.00 C HETATM 1634 C2D HEM A 233 2.668 1.585 -5.045 1.00 1.00 C HETATM 1635 C3D HEM A 233 3.771 1.605 -5.824 1.00 1.00 C HETATM 1636 C4D HEM A 233 3.619 2.704 -6.748 1.00 1.00 C HETATM 1637 CMD HEM A 233 2.341 0.635 -3.930 1.00 1.00 C HETATM 1638 CAD HEM A 233 4.953 0.682 -5.774 1.00 1.00 C HETATM 1639 CBD HEM A 233 4.616 -0.736 -5.321 1.00 1.00 C HETATM 1640 CGD HEM A 233 5.134 -1.000 -3.915 1.00 1.00 C HETATM 1641 O1D HEM A 233 6.243 -0.506 -3.617 1.00 1.00 O HETATM 1642 O2D HEM A 233 4.413 -1.692 -3.164 1.00 1.00 O HETATM 1643 NA HEM A 233 3.347 4.993 -8.655 1.00 1.00 N HETATM 1644 NB HEM A 233 1.046 6.652 -8.392 1.00 1.00 N HETATM 1645 NC HEM A 233 0.087 4.984 -6.277 1.00 1.00 N HETATM 1646 ND HEM A 233 2.417 3.353 -6.528 1.00 1.00 N HETATM 1647 FE HEM A 233 1.665 5.051 -7.407 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 6.634 6.245 -11.323 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 5.242 7.353 -11.366 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 5.231 5.873 -12.353 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 2.328 9.514 -10.976 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 0.886 10.481 -10.583 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 0.782 9.178 -11.791 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -2.814 7.532 -5.012 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -3.167 6.424 -3.665 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -3.873 6.124 -5.271 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 1.721 1.142 -3.190 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 3.263 0.295 -3.459 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 1.801 -0.223 -4.330 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -2.797 10.522 -10.270 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -1.689 9.228 -11.084 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -3.960 3.127 -2.574 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -3.997 3.988 -4.254 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 7.095 3.979 -7.755 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 8.348 4.623 -8.798 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 7.179 4.184 -10.729 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 6.468 2.712 -10.097 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 5.052 -1.456 -6.014 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 3.536 -0.882 -5.347 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 5.699 1.100 -5.098 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 5.408 0.638 -6.763 1.00 1.00 H new HETATM 0 HHA HEM A 233 5.459 2.458 -7.803 1.00 1.00 H new HETATM 0 HHB HEM A 233 3.119 7.510 -10.954 1.00 1.00 H new HETATM 0 HHC HEM A 233 -1.841 7.741 -6.924 1.00 1.00 H new HETATM 0 HHD HEM A 233 0.189 2.291 -4.183 1.00 1.00 H new HETATM 0 HAB HEM A 233 -1.522 10.119 -7.965 1.00 1.00 H new HETATM 0 HAC HEM A 233 -1.322 3.495 -2.477 1.00 1.00 H new HETATM 1648 CHA HEM A 251 7.269 6.886 6.796 1.00 1.00 C HETATM 1649 CHB HEM A 251 4.494 4.265 3.771 1.00 1.00 C HETATM 1650 CHC HEM A 251 7.693 5.003 0.173 1.00 1.00 C HETATM 1651 CHD HEM A 251 10.649 7.358 3.320 1.00 1.00 C HETATM 1652 C1A HEM A 251 6.237 6.113 6.273 1.00 1.00 C HETATM 1653 C2A HEM A 251 5.076 5.695 7.023 1.00 1.00 C HETATM 1654 C3A HEM A 251 4.305 4.968 6.187 1.00 1.00 C HETATM 1655 C4A HEM A 251 4.980 4.929 4.911 1.00 1.00 C HETATM 1656 CMA HEM A 251 2.990 4.307 6.483 1.00 1.00 C HETATM 1657 CAA HEM A 251 4.818 6.029 8.463 1.00 1.00 C HETATM 1658 CBA HEM A 251 5.750 5.321 9.442 1.00 1.00 C HETATM 1659 CGA HEM A 251 4.990 4.307 10.285 1.00 1.00 C HETATM 1660 O1A HEM A 251 5.058 3.110 9.930 1.00 1.00 O HETATM 1661 O2A HEM A 251 4.357 4.747 11.269 1.00 1.00 O HETATM 1662 C1B HEM A 251 5.160 4.200 2.551 1.00 1.00 C HETATM 1663 C2B HEM A 251 4.744 3.374 1.442 1.00 1.00 C HETATM 1664 C3B HEM A 251 5.629 3.576 0.444 1.00 1.00 C HETATM 1665 C4B HEM A 251 6.601 4.530 0.924 1.00 1.00 C HETATM 1666 CMB HEM A 251 3.544 2.472 1.446 1.00 1.00 C HETATM 1667 CAB HEM A 251 5.641 2.952 -0.921 1.00 1.00 C HETATM 1668 CBB HEM A 251 4.402 3.263 -1.757 1.00 1.00 C HETATM 1669 C1C HEM A 251 8.819 5.733 0.727 1.00 1.00 C HETATM 1670 C2C HEM A 251 10.098 5.895 0.078 1.00 1.00 C HETATM 1671 C3C HEM A 251 10.915 6.511 0.959 1.00 1.00 C HETATM 1672 C4C HEM A 251 10.149 6.736 2.162 1.00 1.00 C HETATM 1673 CMC HEM A 251 10.416 5.446 -1.319 1.00 1.00 C HETATM 1674 CAC HEM A 251 12.351 6.905 0.768 1.00 1.00 C HETATM 1675 CBC HEM A 251 12.551 8.072 -0.195 1.00 1.00 C HETATM 1676 C1D HEM A 251 9.983 7.402 4.541 1.00 1.00 C HETATM 1677 C2D HEM A 251 10.550 7.941 5.755 1.00 1.00 C HETATM 1678 C3D HEM A 251 9.615 7.811 6.721 1.00 1.00 C HETATM 1679 C4D HEM A 251 8.461 7.191 6.114 1.00 1.00 C HETATM 1680 CMD HEM A 251 11.927 8.526 5.875 1.00 1.00 C HETATM 1681 CAD HEM A 251 9.713 8.219 8.162 1.00 1.00 C HETATM 1682 CBD HEM A 251 8.526 9.041 8.656 1.00 1.00 C HETATM 1683 CGD HEM A 251 8.973 10.411 9.145 1.00 1.00 C HETATM 1684 O1D HEM A 251 9.716 10.440 10.150 1.00 1.00 O HETATM 1685 O2D HEM A 251 8.564 11.403 8.504 1.00 1.00 O HETATM 1686 NA HEM A 251 6.168 5.637 4.975 1.00 1.00 N HETATM 1687 NB HEM A 251 6.303 4.907 2.221 1.00 1.00 N HETATM 1688 NC HEM A 251 8.861 6.254 2.009 1.00 1.00 N HETATM 1689 ND HEM A 251 8.698 6.944 4.773 1.00 1.00 N HETATM 1690 FE HEM A 251 7.513 5.879 3.511 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 2.954 4.022 7.535 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 2.882 3.417 5.862 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 2.177 5.001 6.267 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 3.360 2.116 2.460 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 3.727 1.621 0.790 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 2.673 3.023 1.091 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 11.173 6.102 -1.748 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 9.513 5.487 -1.929 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 10.792 4.423 -1.296 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 12.592 8.041 5.160 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 12.303 8.367 6.886 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 11.887 9.595 5.667 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 4.309 2.859 -2.765 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 3.610 3.889 -1.346 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 13.556 8.439 -0.405 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 11.689 8.539 -0.672 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.226 6.055 10.092 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.546 4.818 8.893 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 3.788 5.770 8.706 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 4.916 7.106 8.598 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 8.023 8.510 9.464 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 7.801 9.158 7.851 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 10.626 8.797 8.304 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 9.803 7.324 8.777 1.00 1.00 H new HETATM 0 HHA HEM A 251 7.146 7.279 7.794 1.00 1.00 H new HETATM 0 HHB HEM A 251 3.537 3.771 3.848 1.00 1.00 H new HETATM 0 HHC HEM A 251 7.693 4.809 -0.890 1.00 1.00 H new HETATM 0 HHD HEM A 251 11.616 7.834 3.257 1.00 1.00 H new HETATM 0 HAB HEM A 251 6.461 2.332 -1.283 1.00 1.00 H new HETATM 0 HAC HEM A 251 13.177 6.403 1.272 1.00 1.00 H new HETATM 1691 CHA HEM A 282 -9.138 -1.684 -4.032 1.00 1.00 C HETATM 1692 CHB HEM A 282 -4.521 -2.717 -2.876 1.00 1.00 C HETATM 1693 CHC HEM A 282 -4.078 1.640 -0.745 1.00 1.00 C HETATM 1694 CHD HEM A 282 -8.706 2.668 -1.888 1.00 1.00 C HETATM 1695 C1A HEM A 282 -7.914 -2.333 -3.902 1.00 1.00 C HETATM 1696 C2A HEM A 282 -7.634 -3.649 -4.425 1.00 1.00 C HETATM 1697 C3A HEM A 282 -6.355 -3.938 -4.106 1.00 1.00 C HETATM 1698 C4A HEM A 282 -5.830 -2.804 -3.383 1.00 1.00 C HETATM 1699 CMA HEM A 282 -5.583 -5.187 -4.421 1.00 1.00 C HETATM 1700 CAA HEM A 282 -8.614 -4.502 -5.176 1.00 1.00 C HETATM 1701 CBA HEM A 282 -8.726 -4.158 -6.659 1.00 1.00 C HETATM 1702 CGA HEM A 282 -7.994 -5.181 -7.515 1.00 1.00 C HETATM 1703 O1A HEM A 282 -6.775 -5.343 -7.288 1.00 1.00 O HETATM 1704 O2A HEM A 282 -8.665 -5.782 -8.381 1.00 1.00 O HETATM 1705 C1B HEM A 282 -4.005 -1.610 -2.209 1.00 1.00 C HETATM 1706 C2B HEM A 282 -2.643 -1.508 -1.740 1.00 1.00 C HETATM 1707 C3B HEM A 282 -2.517 -0.301 -1.148 1.00 1.00 C HETATM 1708 C4B HEM A 282 -3.800 0.356 -1.246 1.00 1.00 C HETATM 1709 CMB HEM A 282 -1.597 -2.572 -1.901 1.00 1.00 C HETATM 1710 CAB HEM A 282 -1.298 0.288 -0.500 1.00 1.00 C HETATM 1711 CBB HEM A 282 -0.006 0.046 -1.275 1.00 1.00 C HETATM 1712 C1C HEM A 282 -5.343 2.254 -0.777 1.00 1.00 C HETATM 1713 C2C HEM A 282 -5.673 3.506 -0.139 1.00 1.00 C HETATM 1714 C3C HEM A 282 -6.947 3.799 -0.475 1.00 1.00 C HETATM 1715 C4C HEM A 282 -7.418 2.731 -1.326 1.00 1.00 C HETATM 1716 CMC HEM A 282 -4.741 4.299 0.730 1.00 1.00 C HETATM 1717 CAC HEM A 282 -7.759 4.993 -0.068 1.00 1.00 C HETATM 1718 CBC HEM A 282 -6.934 6.256 0.163 1.00 1.00 C HETATM 1719 C1D HEM A 282 -9.206 1.578 -2.594 1.00 1.00 C HETATM 1720 C2D HEM A 282 -10.523 1.528 -3.184 1.00 1.00 C HETATM 1721 C3D HEM A 282 -10.646 0.323 -3.779 1.00 1.00 C HETATM 1722 C4D HEM A 282 -9.406 -0.385 -3.563 1.00 1.00 C HETATM 1723 CMD HEM A 282 -11.534 2.636 -3.122 1.00 1.00 C HETATM 1724 CAD HEM A 282 -11.825 -0.219 -4.532 1.00 1.00 C HETATM 1725 CBD HEM A 282 -11.620 -0.287 -6.043 1.00 1.00 C HETATM 1726 CGD HEM A 282 -12.266 0.904 -6.737 1.00 1.00 C HETATM 1727 O1D HEM A 282 -13.512 0.895 -6.837 1.00 1.00 O HETATM 1728 O2D HEM A 282 -11.502 1.801 -7.155 1.00 1.00 O HETATM 1729 NA HEM A 282 -6.798 -1.822 -3.263 1.00 1.00 N HETATM 1730 NB HEM A 282 -4.707 -0.459 -1.901 1.00 1.00 N HETATM 1731 NC HEM A 282 -6.423 1.786 -1.505 1.00 1.00 N HETATM 1732 ND HEM A 282 -8.528 0.396 -2.833 1.00 1.00 N HETATM 1733 FE HEM A 282 -6.636 0.067 -2.298 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -4.526 -4.944 -4.526 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -5.951 -5.617 -5.353 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -5.711 -5.907 -3.613 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -2.073 -3.552 -1.909 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.892 -2.518 -1.071 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -1.064 -2.419 -2.840 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 -4.050 3.623 1.234 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 -5.317 4.849 1.474 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 -4.179 5.001 0.115 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -12.163 2.605 -4.012 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -11.020 3.596 -3.074 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -12.155 2.513 -2.235 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 0.939 0.432 -0.893 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 -0.028 -0.512 -2.211 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 -7.426 7.181 0.462 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 -5.853 6.233 0.029 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -8.311 -3.166 -6.838 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -9.776 -4.121 -6.949 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -9.596 -4.401 -4.715 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -8.321 -5.547 -5.077 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -12.046 -1.213 -6.430 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -10.554 -0.309 -6.268 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -12.695 0.403 -4.322 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -12.051 -1.219 -4.161 1.00 1.00 H new HETATM 0 HHA HEM A 282 -9.938 -2.214 -4.527 1.00 1.00 H new HETATM 0 HHB HEM A 282 -3.871 -3.568 -3.014 1.00 1.00 H new HETATM 0 HHC HEM A 282 -3.262 2.194 -0.304 1.00 1.00 H new HETATM 0 HHD HEM A 282 -9.351 3.525 -1.763 1.00 1.00 H new HETATM 0 HAB HEM A 282 -1.333 0.839 0.440 1.00 1.00 H new HETATM 0 HAC HEM A 282 -8.842 4.961 0.052 1.00 1.00 H new HETATM 1734 CHA HEM A 305 2.840 -8.942 3.018 1.00 1.00 C HETATM 1735 CHB HEM A 305 -0.027 -10.868 6.452 1.00 1.00 C HETATM 1736 CHC HEM A 305 -3.831 -8.391 4.686 1.00 1.00 C HETATM 1737 CHD HEM A 305 -0.901 -6.305 1.353 1.00 1.00 C HETATM 1738 C1A HEM A 305 2.382 -9.666 4.114 1.00 1.00 C HETATM 1739 C2A HEM A 305 3.221 -10.498 4.944 1.00 1.00 C HETATM 1740 C3A HEM A 305 2.429 -11.034 5.897 1.00 1.00 C HETATM 1741 C4A HEM A 305 1.092 -10.538 5.667 1.00 1.00 C HETATM 1742 CMA HEM A 305 2.819 -11.969 7.005 1.00 1.00 C HETATM 1743 CAA HEM A 305 4.695 -10.701 4.747 1.00 1.00 C HETATM 1744 CBA HEM A 305 5.555 -9.559 5.280 1.00 1.00 C HETATM 1745 CGA HEM A 305 6.349 -9.996 6.503 1.00 1.00 C HETATM 1746 O1A HEM A 305 5.694 -10.370 7.500 1.00 1.00 O HETATM 1747 O2A HEM A 305 7.595 -9.947 6.418 1.00 1.00 O HETATM 1748 C1B HEM A 305 -1.295 -10.318 6.289 1.00 1.00 C HETATM 1749 C2B HEM A 305 -2.394 -10.526 7.202 1.00 1.00 C HETATM 1750 C3B HEM A 305 -3.449 -9.841 6.715 1.00 1.00 C HETATM 1751 C4B HEM A 305 -3.015 -9.201 5.496 1.00 1.00 C HETATM 1752 CMB HEM A 305 -2.328 -11.358 8.450 1.00 1.00 C HETATM 1753 CAB HEM A 305 -4.830 -9.734 7.296 1.00 1.00 C HETATM 1754 CBB HEM A 305 -4.940 -8.749 8.456 1.00 1.00 C HETATM 1755 C1C HEM A 305 -3.405 -7.732 3.453 1.00 1.00 C HETATM 1756 C2C HEM A 305 -4.234 -7.028 2.504 1.00 1.00 C HETATM 1757 C3C HEM A 305 -3.407 -6.424 1.625 1.00 1.00 C HETATM 1758 C4C HEM A 305 -2.057 -6.748 2.021 1.00 1.00 C HETATM 1759 CMC HEM A 305 -5.735 -7.002 2.529 1.00 1.00 C HETATM 1760 CAC HEM A 305 -3.774 -5.570 0.447 1.00 1.00 C HETATM 1761 CBC HEM A 305 -5.228 -5.106 0.446 1.00 1.00 C HETATM 1762 C1D HEM A 305 0.371 -6.837 1.539 1.00 1.00 C HETATM 1763 C2D HEM A 305 1.536 -6.437 0.786 1.00 1.00 C HETATM 1764 C3D HEM A 305 2.575 -7.166 1.245 1.00 1.00 C HETATM 1765 C4D HEM A 305 2.063 -8.024 2.287 1.00 1.00 C HETATM 1766 CMD HEM A 305 1.543 -5.399 -0.298 1.00 1.00 C HETATM 1767 CAD HEM A 305 4.004 -7.127 0.789 1.00 1.00 C HETATM 1768 CBD HEM A 305 4.955 -6.471 1.787 1.00 1.00 C HETATM 1769 CGD HEM A 305 4.391 -6.525 3.199 1.00 1.00 C HETATM 1770 O1D HEM A 305 5.076 -7.115 4.062 1.00 1.00 O HETATM 1771 O2D HEM A 305 3.284 -5.976 3.389 1.00 1.00 O HETATM 1772 NA HEM A 305 1.075 -9.698 4.567 1.00 1.00 N HETATM 1773 NB HEM A 305 -1.688 -9.502 5.242 1.00 1.00 N HETATM 1774 NC HEM A 305 -2.067 -7.553 3.147 1.00 1.00 N HETATM 1775 ND HEM A 305 0.706 -7.814 2.460 1.00 1.00 N HETATM 1776 FE HEM A 305 -0.500 -8.660 3.800 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 3.660 -12.584 6.683 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 1.974 -12.611 7.253 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 3.107 -11.392 7.884 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 -3.021 -10.958 9.191 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 -1.315 -11.333 8.850 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 -2.601 -12.387 8.216 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 -6.108 -7.931 2.959 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 -6.114 -6.895 1.513 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 -6.074 -6.161 3.133 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.571 -5.382 -0.792 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 2.317 -5.640 -1.027 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 1.746 -4.420 0.137 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 -5.899 -8.595 8.951 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 -4.060 -8.200 8.790 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 -5.600 -4.480 -0.365 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 -5.895 -5.401 1.256 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 4.920 -8.711 5.538 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 6.238 -9.220 4.501 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 4.895 -10.827 3.683 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 4.993 -11.627 5.239 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 5.128 -5.434 1.501 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 5.921 -6.975 1.759 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 4.058 -6.589 -0.157 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 4.341 -8.145 0.596 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.863 -9.095 2.706 1.00 1.00 H new HETATM 0 HHB HEM A 305 0.107 -11.599 7.236 1.00 1.00 H new HETATM 0 HHC HEM A 305 -4.854 -8.244 5.000 1.00 1.00 H new HETATM 0 HHD HEM A 305 -1.008 -5.495 0.646 1.00 1.00 H new HETATM 0 HAB HEM A 305 -5.678 -10.309 6.922 1.00 1.00 H new HETATM 0 HAC HEM A 305 -3.066 -5.305 -0.338 1.00 1.00 H new