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+ -122:sc= 0.129 (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= -0.902! USER MOD Single : A 15 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.11) 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 -150:sc= -0.618 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0694) 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 -130:sc= -1.28! USER MOD Single : A 49 SER OG : rot 30:sc= 0.0202 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 113:sc= 0.0332 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 :FLIP no HD1:sc= -4.7! C(o=-5.6!,f=-4.7!) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00144 USER MOD Single : A 78 SER OG : rot 136:sc= -4.15! USER MOD Single : A 84 SER OG : rot -86:sc= 0.641 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -63:sc= 0.791 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -149:sc= 0.549 USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= 1.25 (180deg=1.02) USER MOD Single : A 233 HEM CMA :methyl 150:sc= -0.0891 (180deg=-0.0891) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -3.31! (180deg=-5.77!) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -1.82! (180deg=-4.13!) USER MOD Single : A 233 HEM CMD :methyl -30:sc= -7.15! (180deg=-7.82!) USER MOD Single : A 251 HEM CMA :methyl 150:sc= -0.318 (180deg=-0.318) USER MOD Single : A 251 HEM CMB :methyl 150:sc= -1.66 (180deg=-1.66) USER MOD Single : A 251 HEM CMC :methyl 150:sc= -3.54 (180deg=-3.54) USER MOD Single : A 251 HEM CMD :methyl -30:sc= -0.178 (180deg=-0.356) USER MOD Single : A 282 HEM CMA :methyl 150:sc= -0.454 (180deg=-0.454) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -1.42 (180deg=-3.84!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -6.7! (180deg=-8.49!) USER MOD Single : A 282 HEM CMD :methyl 150:sc= -0.128 (180deg=-0.128) USER MOD Single : A 305 HEM CMA :methyl -30:sc= -0.198 (180deg=-0.267) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.0688 (180deg=-0.0688) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -7.91! (180deg=-8.65!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.277 (180deg=-1.73!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.177 15.513 -11.992 1.00 1.00 N ATOM 2 CA ALA A 1 2.948 14.420 -11.423 1.00 1.00 C ATOM 3 C ALA A 1 3.380 13.470 -12.542 1.00 1.00 C ATOM 4 O ALA A 1 3.095 13.676 -13.720 1.00 1.00 O ATOM 5 CB ALA A 1 2.118 13.715 -10.348 1.00 1.00 C ATOM 0 H1 ALA A 1 2.632 16.418 -11.757 1.00 1.00 H new ATOM 0 H2 ALA A 1 2.133 15.405 -13.025 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.213 15.499 -11.601 1.00 1.00 H new ATOM 0 HA ALA A 1 3.851 14.797 -10.943 1.00 1.00 H new ATOM 0 HB1 ALA A 1 2.696 12.895 -9.921 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.861 14.426 -9.562 1.00 1.00 H new ATOM 0 HB3 ALA A 1 1.205 13.321 -10.794 1.00 1.00 H new ATOM 11 N PRO A 2 4.085 12.410 -12.141 1.00 1.00 N ATOM 12 CA PRO A 2 4.593 11.385 -13.028 1.00 1.00 C ATOM 13 C PRO A 2 3.430 10.679 -13.711 1.00 1.00 C ATOM 14 O PRO A 2 2.409 10.453 -13.063 1.00 1.00 O ATOM 15 CB PRO A 2 5.358 10.425 -12.120 1.00 1.00 C ATOM 16 CG PRO A 2 5.642 11.200 -10.845 1.00 1.00 C ATOM 17 CD PRO A 2 4.438 12.136 -10.765 1.00 1.00 C ATOM 0 HA PRO A 2 5.231 11.784 -13.816 1.00 1.00 H new ATOM 0 HB2 PRO A 2 4.770 9.531 -11.912 1.00 1.00 H new ATOM 0 HB3 PRO A 2 6.284 10.095 -12.591 1.00 1.00 H new ATOM 0 HG2 PRO A 2 5.708 10.545 -9.976 1.00 1.00 H new ATOM 0 HG3 PRO A 2 6.582 11.749 -10.902 1.00 1.00 H new ATOM 0 HD2 PRO A 2 3.610 11.670 -10.231 1.00 1.00 H new ATOM 0 HD3 PRO A 2 4.686 13.053 -10.231 1.00 1.00 H new ATOM 25 N ALA A 3 3.599 10.350 -14.983 1.00 1.00 N ATOM 26 CA ALA A 3 2.550 9.675 -15.728 1.00 1.00 C ATOM 27 C ALA A 3 2.177 8.376 -15.011 1.00 1.00 C ATOM 28 O ALA A 3 3.030 7.520 -14.784 1.00 1.00 O ATOM 29 CB ALA A 3 3.018 9.434 -17.165 1.00 1.00 C ATOM 0 H ALA A 3 4.447 10.538 -15.517 1.00 1.00 H new ATOM 0 HA ALA A 3 1.654 10.294 -15.776 1.00 1.00 H new ATOM 0 HB1 ALA A 3 2.231 8.928 -17.724 1.00 1.00 H new ATOM 0 HB2 ALA A 3 3.243 10.389 -17.639 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.914 8.813 -17.157 1.00 1.00 H new ATOM 35 N VAL A 4 0.900 8.270 -14.673 1.00 1.00 N ATOM 36 CA VAL A 4 0.402 7.090 -13.986 1.00 1.00 C ATOM 37 C VAL A 4 0.486 5.885 -14.926 1.00 1.00 C ATOM 38 O VAL A 4 -0.081 5.868 -16.016 1.00 1.00 O ATOM 39 CB VAL A 4 -1.013 7.346 -13.466 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.023 7.376 -14.615 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.408 6.304 -12.417 1.00 1.00 C ATOM 0 H VAL A 4 0.195 8.982 -14.862 1.00 1.00 H new ATOM 0 HA VAL A 4 1.018 6.866 -13.115 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.021 8.325 -12.987 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.021 7.560 -14.217 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.758 8.171 -15.312 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.010 6.418 -15.136 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.419 6.509 -12.063 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.374 5.309 -12.861 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.714 6.351 -11.578 1.00 1.00 H new ATOM 51 N PRO A 5 1.216 4.865 -14.471 1.00 1.00 N ATOM 52 CA PRO A 5 1.428 3.628 -15.192 1.00 1.00 C ATOM 53 C PRO A 5 0.179 2.763 -15.099 1.00 1.00 C ATOM 54 O PRO A 5 -0.261 2.472 -13.988 1.00 1.00 O ATOM 55 CB PRO A 5 2.609 2.962 -14.488 1.00 1.00 C ATOM 56 CG PRO A 5 2.542 3.472 -13.104 1.00 1.00 C ATOM 57 CD PRO A 5 1.896 4.852 -13.193 1.00 1.00 C ATOM 0 HA PRO A 5 1.630 3.783 -16.252 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.528 1.875 -14.516 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.555 3.223 -14.963 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.955 2.807 -12.471 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.537 3.535 -12.663 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.197 5.014 -12.372 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.644 5.643 -13.136 1.00 1.00 H new ATOM 65 N ASP A 6 -0.361 2.375 -16.245 1.00 1.00 N ATOM 66 CA ASP A 6 -1.555 1.548 -16.268 1.00 1.00 C ATOM 67 C ASP A 6 -1.153 0.076 -16.166 1.00 1.00 C ATOM 68 O ASP A 6 -1.983 -0.812 -16.351 1.00 1.00 O ATOM 69 CB ASP A 6 -2.331 1.737 -17.573 1.00 1.00 C ATOM 70 CG ASP A 6 -1.740 1.017 -18.787 1.00 1.00 C ATOM 71 OD1 ASP A 6 -1.827 -0.215 -18.904 1.00 1.00 O ATOM 72 OD2 ASP A 6 -1.162 1.784 -19.648 1.00 1.00 O ATOM 0 H ASP A 6 0.007 2.618 -17.165 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.185 1.842 -15.428 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.353 1.388 -17.424 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.387 2.803 -17.794 1.00 1.00 H new ATOM 78 N LYS A 7 0.121 -0.138 -15.870 1.00 1.00 N ATOM 79 CA LYS A 7 0.643 -1.487 -15.741 1.00 1.00 C ATOM 80 C LYS A 7 1.079 -1.724 -14.294 1.00 1.00 C ATOM 81 O LYS A 7 2.212 -1.455 -13.901 1.00 1.00 O ATOM 82 CB LYS A 7 1.753 -1.733 -16.765 1.00 1.00 C ATOM 83 CG LYS A 7 2.620 -0.485 -16.944 1.00 1.00 C ATOM 84 CD LYS A 7 4.039 -0.861 -17.377 1.00 1.00 C ATOM 85 CE LYS A 7 4.980 -0.924 -16.172 1.00 1.00 C ATOM 86 NZ LYS A 7 6.198 -0.122 -16.424 1.00 1.00 N ATOM 0 H LYS A 7 0.807 0.601 -15.716 1.00 1.00 H new ATOM 0 HA LYS A 7 -0.133 -2.218 -15.965 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.374 -2.568 -16.440 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.314 -2.016 -17.722 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.170 0.171 -17.689 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.657 0.074 -16.009 1.00 1.00 H new ATOM 0 HD2 LYS A 7 4.025 -1.826 -17.883 1.00 1.00 H new ATOM 0 HD3 LYS A 7 4.410 -0.130 -18.095 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.469 -0.551 -15.284 1.00 1.00 H new ATOM 0 HE3 LYS A 7 5.254 -1.960 -15.971 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 6.826 -0.175 -15.597 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 6.693 -0.495 -17.259 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 5.932 0.869 -16.594 1.00 1.00 H new ATOM 99 N PRO A 8 0.139 -2.241 -13.499 1.00 1.00 N ATOM 100 CA PRO A 8 0.334 -2.547 -12.098 1.00 1.00 C ATOM 101 C PRO A 8 1.711 -3.163 -11.896 1.00 1.00 C ATOM 102 O PRO A 8 2.130 -3.966 -12.728 1.00 1.00 O ATOM 103 CB PRO A 8 -0.768 -3.548 -11.759 1.00 1.00 C ATOM 104 CG PRO A 8 -1.942 -2.956 -12.648 1.00 1.00 C ATOM 105 CD PRO A 8 -1.203 -2.569 -13.927 1.00 1.00 C ATOM 0 HA PRO A 8 0.284 -1.664 -11.460 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.506 -4.569 -12.037 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.012 -3.559 -10.697 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.724 -3.692 -12.835 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.419 -2.097 -12.176 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -1.199 -3.390 -14.644 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.680 -1.720 -14.417 1.00 1.00 H new ATOM 113 N VAL A 9 2.379 -2.783 -10.816 1.00 1.00 N ATOM 114 CA VAL A 9 3.703 -3.310 -10.532 1.00 1.00 C ATOM 115 C VAL A 9 3.627 -4.238 -9.318 1.00 1.00 C ATOM 116 O VAL A 9 2.807 -4.032 -8.424 1.00 1.00 O ATOM 117 CB VAL A 9 4.694 -2.160 -10.344 1.00 1.00 C ATOM 118 CG1 VAL A 9 5.406 -1.831 -11.658 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.999 -0.924 -9.772 1.00 1.00 C ATOM 0 H VAL A 9 2.028 -2.117 -10.128 1.00 1.00 H new ATOM 0 HA VAL A 9 4.068 -3.902 -11.372 1.00 1.00 H new ATOM 0 HB VAL A 9 5.448 -2.481 -9.625 1.00 1.00 H new ATOM 0 HG11 VAL A 9 6.105 -1.010 -11.497 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.951 -2.709 -12.006 1.00 1.00 H new ATOM 0 HG13 VAL A 9 4.670 -1.540 -12.407 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.727 -0.122 -9.649 1.00 1.00 H new ATOM 0 HG22 VAL A 9 3.214 -0.600 -10.455 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.561 -1.168 -8.804 1.00 1.00 H new ATOM 129 N GLU A 10 4.494 -5.241 -9.324 1.00 1.00 N ATOM 130 CA GLU A 10 4.536 -6.201 -8.235 1.00 1.00 C ATOM 131 C GLU A 10 5.280 -5.611 -7.035 1.00 1.00 C ATOM 132 O GLU A 10 6.237 -4.857 -7.204 1.00 1.00 O ATOM 133 CB GLU A 10 5.177 -7.514 -8.686 1.00 1.00 C ATOM 134 CG GLU A 10 4.136 -8.451 -9.302 1.00 1.00 C ATOM 135 CD GLU A 10 4.808 -9.563 -10.109 1.00 1.00 C ATOM 136 OE1 GLU A 10 5.638 -10.308 -9.567 1.00 1.00 O ATOM 137 OE2 GLU A 10 4.439 -9.640 -11.343 1.00 1.00 O ATOM 0 H GLU A 10 5.173 -5.409 -10.067 1.00 1.00 H new ATOM 0 HA GLU A 10 3.513 -6.420 -7.931 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.962 -7.308 -9.414 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.652 -8.002 -7.835 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.524 -8.888 -8.514 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.466 -7.882 -9.947 1.00 1.00 H new ATOM 145 N VAL A 11 4.811 -5.976 -5.851 1.00 1.00 N ATOM 146 CA VAL A 11 5.420 -5.492 -4.623 1.00 1.00 C ATOM 147 C VAL A 11 5.998 -6.675 -3.845 1.00 1.00 C ATOM 148 O VAL A 11 5.518 -7.003 -2.761 1.00 1.00 O ATOM 149 CB VAL A 11 4.401 -4.685 -3.816 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.063 -4.017 -2.610 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.697 -3.652 -4.698 1.00 1.00 C ATOM 0 H VAL A 11 4.016 -6.601 -5.716 1.00 1.00 H new ATOM 0 HA VAL A 11 6.245 -4.816 -4.846 1.00 1.00 H new ATOM 0 HB VAL A 11 3.645 -5.376 -3.443 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.317 -3.450 -2.053 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.495 -4.780 -1.963 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.849 -3.344 -2.953 1.00 1.00 H new ATOM 0 HG21 VAL A 11 2.978 -3.092 -4.100 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.435 -2.966 -5.115 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.176 -4.161 -5.509 1.00 1.00 H new ATOM 161 N LYS A 12 7.021 -7.284 -4.428 1.00 1.00 N ATOM 162 CA LYS A 12 7.669 -8.424 -3.802 1.00 1.00 C ATOM 163 C LYS A 12 7.778 -8.179 -2.296 1.00 1.00 C ATOM 164 O LYS A 12 8.178 -7.098 -1.866 1.00 1.00 O ATOM 165 CB LYS A 12 9.011 -8.714 -4.477 1.00 1.00 C ATOM 166 CG LYS A 12 9.777 -9.806 -3.727 1.00 1.00 C ATOM 167 CD LYS A 12 11.288 -9.619 -3.879 1.00 1.00 C ATOM 168 CE LYS A 12 11.831 -8.659 -2.819 1.00 1.00 C ATOM 169 NZ LYS A 12 12.473 -9.412 -1.719 1.00 1.00 N ATOM 0 H LYS A 12 7.417 -7.009 -5.327 1.00 1.00 H new ATOM 0 HA LYS A 12 7.070 -9.325 -3.936 1.00 1.00 H new ATOM 0 HB2 LYS A 12 8.844 -9.025 -5.508 1.00 1.00 H new ATOM 0 HB3 LYS A 12 9.609 -7.803 -4.512 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.509 -9.783 -2.671 1.00 1.00 H new ATOM 0 HG3 LYS A 12 9.488 -10.785 -4.108 1.00 1.00 H new ATOM 0 HD2 LYS A 12 11.788 -10.584 -3.791 1.00 1.00 H new ATOM 0 HD3 LYS A 12 11.512 -9.233 -4.873 1.00 1.00 H new ATOM 0 HE2 LYS A 12 12.552 -7.979 -3.271 1.00 1.00 H new ATOM 0 HE3 LYS A 12 11.020 -8.047 -2.424 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 12.836 -8.746 -1.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 11.775 -10.044 -1.277 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 13.260 -9.977 -2.098 1.00 1.00 H new ATOM 182 N GLY A 13 7.416 -9.201 -1.535 1.00 1.00 N ATOM 183 CA GLY A 13 7.468 -9.111 -0.085 1.00 1.00 C ATOM 184 C GLY A 13 8.302 -10.250 0.505 1.00 1.00 C ATOM 185 O GLY A 13 9.202 -10.770 -0.151 1.00 1.00 O ATOM 0 H GLY A 13 7.085 -10.096 -1.895 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.896 -8.152 0.208 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.457 -9.147 0.322 1.00 1.00 H new ATOM 189 N SER A 14 7.971 -10.604 1.739 1.00 1.00 N ATOM 190 CA SER A 14 8.678 -11.672 2.425 1.00 1.00 C ATOM 191 C SER A 14 8.521 -12.984 1.654 1.00 1.00 C ATOM 192 O SER A 14 9.482 -13.489 1.077 1.00 1.00 O ATOM 193 CB SER A 14 8.172 -11.835 3.860 1.00 1.00 C ATOM 194 OG SER A 14 7.674 -13.148 4.104 1.00 1.00 O ATOM 0 H SER A 14 7.223 -10.170 2.281 1.00 1.00 H new ATOM 0 HA SER A 14 9.735 -11.409 2.469 1.00 1.00 H new ATOM 0 HB2 SER A 14 8.982 -11.619 4.557 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.384 -11.107 4.052 1.00 1.00 H new ATOM 0 HG SER A 14 7.362 -13.213 5.031 1.00 1.00 H new ATOM 200 N GLN A 15 7.300 -13.499 1.670 1.00 1.00 N ATOM 201 CA GLN A 15 7.004 -14.743 0.979 1.00 1.00 C ATOM 202 C GLN A 15 5.569 -14.726 0.447 1.00 1.00 C ATOM 203 O GLN A 15 4.825 -15.688 0.629 1.00 1.00 O ATOM 204 CB GLN A 15 7.235 -15.947 1.895 1.00 1.00 C ATOM 205 CG GLN A 15 8.082 -17.012 1.196 1.00 1.00 C ATOM 206 CD GLN A 15 7.209 -17.934 0.342 1.00 1.00 C ATOM 207 OE1 GLN A 15 7.434 -18.124 -0.842 1.00 1.00 O ATOM 208 NE2 GLN A 15 6.203 -18.494 1.007 1.00 1.00 N ATOM 0 H GLN A 15 6.505 -13.078 2.150 1.00 1.00 H new ATOM 0 HA GLN A 15 7.684 -14.837 0.132 1.00 1.00 H new ATOM 0 HB2 GLN A 15 7.733 -15.623 2.809 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.276 -16.374 2.189 1.00 1.00 H new ATOM 0 HG2 GLN A 15 8.832 -16.531 0.568 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.619 -17.600 1.940 1.00 1.00 H new ATOM 0 HE21 GLN A 15 6.072 -18.292 1.998 1.00 1.00 H new ATOM 0 HE22 GLN A 15 5.563 -19.126 0.526 1.00 1.00 H new ATOM 217 N LYS A 16 5.225 -13.622 -0.199 1.00 1.00 N ATOM 218 CA LYS A 16 3.893 -13.468 -0.759 1.00 1.00 C ATOM 219 C LYS A 16 3.875 -12.258 -1.696 1.00 1.00 C ATOM 220 O LYS A 16 3.763 -11.120 -1.243 1.00 1.00 O ATOM 221 CB LYS A 16 2.848 -13.397 0.356 1.00 1.00 C ATOM 222 CG LYS A 16 1.946 -14.633 0.342 1.00 1.00 C ATOM 223 CD LYS A 16 1.019 -14.649 1.559 1.00 1.00 C ATOM 224 CE LYS A 16 1.804 -14.925 2.842 1.00 1.00 C ATOM 225 NZ LYS A 16 1.134 -15.972 3.645 1.00 1.00 N ATOM 0 H LYS A 16 5.845 -12.826 -0.347 1.00 1.00 H new ATOM 0 HA LYS A 16 3.629 -14.340 -1.358 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.347 -13.317 1.322 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.242 -12.499 0.235 1.00 1.00 H new ATOM 0 HG2 LYS A 16 1.352 -14.644 -0.572 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.559 -15.535 0.335 1.00 1.00 H new ATOM 0 HD2 LYS A 16 0.505 -13.691 1.642 1.00 1.00 H new ATOM 0 HD3 LYS A 16 0.252 -15.412 1.426 1.00 1.00 H new ATOM 0 HE2 LYS A 16 2.817 -15.241 2.594 1.00 1.00 H new ATOM 0 HE3 LYS A 16 1.890 -14.009 3.427 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 1.680 -16.147 4.512 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 0.176 -15.656 3.897 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 1.074 -16.850 3.091 1.00 1.00 H new ATOM 238 N THR A 17 3.988 -12.546 -2.984 1.00 1.00 N ATOM 239 CA THR A 17 3.986 -11.495 -3.988 1.00 1.00 C ATOM 240 C THR A 17 2.590 -10.882 -4.116 1.00 1.00 C ATOM 241 O THR A 17 1.596 -11.602 -4.191 1.00 1.00 O ATOM 242 CB THR A 17 4.509 -12.092 -5.297 1.00 1.00 C ATOM 243 OG1 THR A 17 5.862 -12.432 -5.006 1.00 1.00 O ATOM 244 CG2 THR A 17 4.618 -11.050 -6.412 1.00 1.00 C ATOM 0 H THR A 17 4.081 -13.491 -3.356 1.00 1.00 H new ATOM 0 HA THR A 17 4.643 -10.673 -3.702 1.00 1.00 H new ATOM 0 HB THR A 17 3.851 -12.899 -5.618 1.00 1.00 H new ATOM 0 HG1 THR A 17 6.278 -12.828 -5.800 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.994 -11.525 -7.318 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.635 -10.622 -6.607 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.303 -10.260 -6.106 1.00 1.00 H new ATOM 252 N VAL A 18 2.561 -9.557 -4.136 1.00 1.00 N ATOM 253 CA VAL A 18 1.304 -8.838 -4.253 1.00 1.00 C ATOM 254 C VAL A 18 1.478 -7.670 -5.226 1.00 1.00 C ATOM 255 O VAL A 18 2.387 -6.857 -5.068 1.00 1.00 O ATOM 256 CB VAL A 18 0.822 -8.398 -2.869 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.567 -7.761 -2.949 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.833 -9.570 -1.886 1.00 1.00 C ATOM 0 H VAL A 18 3.388 -8.963 -4.073 1.00 1.00 H new ATOM 0 HA VAL A 18 0.529 -9.487 -4.661 1.00 1.00 H new ATOM 0 HB VAL A 18 1.515 -7.643 -2.497 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.886 -7.457 -1.952 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.530 -6.887 -3.600 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.276 -8.484 -3.352 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.486 -9.230 -0.910 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.174 -10.357 -2.251 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.847 -9.959 -1.795 1.00 1.00 H new ATOM 268 N MET A 19 0.592 -7.624 -6.210 1.00 1.00 N ATOM 269 CA MET A 19 0.636 -6.569 -7.207 1.00 1.00 C ATOM 270 C MET A 19 -0.433 -5.509 -6.933 1.00 1.00 C ATOM 271 O MET A 19 -1.556 -5.839 -6.554 1.00 1.00 O ATOM 272 CB MET A 19 0.415 -7.170 -8.597 1.00 1.00 C ATOM 273 CG MET A 19 -0.985 -7.777 -8.715 1.00 1.00 C ATOM 274 SD MET A 19 -1.286 -8.293 -10.397 1.00 1.00 S ATOM 275 CE MET A 19 -1.568 -10.037 -10.140 1.00 1.00 C ATOM 0 H MET A 19 -0.161 -8.301 -6.338 1.00 1.00 H new ATOM 0 HA MET A 19 1.615 -6.091 -7.159 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.546 -6.399 -9.356 1.00 1.00 H new ATOM 0 HB3 MET A 19 1.165 -7.937 -8.789 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.079 -8.629 -8.042 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.734 -7.046 -8.410 1.00 1.00 H new ATOM 0 HE1 MET A 19 -1.773 -10.517 -11.097 1.00 1.00 H new ATOM 0 HE2 MET A 19 -0.682 -10.486 -9.691 1.00 1.00 H new ATOM 0 HE3 MET A 19 -2.421 -10.174 -9.475 1.00 1.00 H new ATOM 285 N PHE A 20 -0.047 -4.258 -7.136 1.00 1.00 N ATOM 286 CA PHE A 20 -0.959 -3.148 -6.916 1.00 1.00 C ATOM 287 C PHE A 20 -1.254 -2.413 -8.224 1.00 1.00 C ATOM 288 O PHE A 20 -0.360 -1.952 -8.930 1.00 1.00 O ATOM 289 CB PHE A 20 -0.267 -2.186 -5.949 1.00 1.00 C ATOM 290 CG PHE A 20 -0.861 -0.776 -5.942 1.00 1.00 C ATOM 291 CD1 PHE A 20 -1.960 -0.506 -5.187 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.291 0.206 -6.690 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.511 0.803 -5.180 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.843 1.514 -6.683 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.941 1.785 -5.929 1.00 1.00 C ATOM 0 H PHE A 20 0.885 -3.988 -7.451 1.00 1.00 H new ATOM 0 HA PHE A 20 -1.904 -3.517 -6.517 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.323 -2.598 -4.941 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.790 -2.123 -6.210 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.413 -1.286 -4.594 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.581 -0.009 -7.289 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.383 1.019 -4.580 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.390 2.294 -7.277 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.361 2.780 -5.925 1.00 1.00 H new ATOM 305 N PRO A 21 -2.549 -2.313 -8.536 1.00 1.00 N ATOM 306 CA PRO A 21 -3.054 -1.658 -9.724 1.00 1.00 C ATOM 307 C PRO A 21 -3.273 -0.180 -9.437 1.00 1.00 C ATOM 308 O PRO A 21 -3.773 0.156 -8.366 1.00 1.00 O ATOM 309 CB PRO A 21 -4.376 -2.360 -10.025 1.00 1.00 C ATOM 310 CG PRO A 21 -4.892 -2.583 -8.542 1.00 1.00 C ATOM 311 CD PRO A 21 -3.626 -2.844 -7.729 1.00 1.00 C ATOM 0 HA PRO A 21 -2.367 -1.719 -10.568 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.053 -1.744 -10.617 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.240 -3.296 -10.567 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.427 -1.708 -8.173 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.581 -3.426 -8.484 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.672 -2.351 -6.758 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.490 -3.909 -7.540 1.00 1.00 H new ATOM 319 N HIS A 22 -2.898 0.675 -10.389 1.00 1.00 N ATOM 320 CA HIS A 22 -3.044 2.121 -10.257 1.00 1.00 C ATOM 321 C HIS A 22 -4.444 2.548 -10.736 1.00 1.00 C ATOM 322 O HIS A 22 -5.016 3.499 -10.204 1.00 1.00 O ATOM 323 CB HIS A 22 -1.886 2.807 -10.997 1.00 1.00 C ATOM 324 CG HIS A 22 -0.644 3.103 -10.188 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.487 2.405 -10.324 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.395 4.052 -9.224 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.405 2.899 -9.479 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.913 3.917 -8.775 1.00 1.00 N ATOM 0 H HIS A 22 -2.484 0.382 -11.274 1.00 1.00 H new ATOM 0 HA HIS A 22 -2.979 2.436 -9.215 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.601 2.178 -11.840 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.255 3.746 -11.410 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.629 1.625 -10.965 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.104 4.786 -8.872 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.412 2.520 -9.382 1.00 1.00 H new ATOM 336 N ALA A 23 -4.948 1.829 -11.728 1.00 1.00 N ATOM 337 CA ALA A 23 -6.261 2.125 -12.275 1.00 1.00 C ATOM 338 C ALA A 23 -7.262 2.285 -11.130 1.00 1.00 C ATOM 339 O ALA A 23 -7.950 3.294 -11.001 1.00 1.00 O ATOM 340 CB ALA A 23 -6.667 1.021 -13.254 1.00 1.00 C ATOM 0 H ALA A 23 -4.471 1.042 -12.167 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.243 3.063 -12.830 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.652 1.243 -13.664 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -5.940 0.968 -14.064 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.699 0.065 -12.731 1.00 1.00 H new ATOM 346 N PRO A 24 -7.327 1.250 -10.289 1.00 1.00 N ATOM 347 CA PRO A 24 -8.201 1.188 -9.137 1.00 1.00 C ATOM 348 C PRO A 24 -7.801 2.261 -8.135 1.00 1.00 C ATOM 349 O PRO A 24 -8.497 2.439 -7.137 1.00 1.00 O ATOM 350 CB PRO A 24 -7.988 -0.209 -8.558 1.00 1.00 C ATOM 351 CG PRO A 24 -7.343 -1.036 -9.702 1.00 1.00 C ATOM 352 CD PRO A 24 -6.532 0.047 -10.410 1.00 1.00 C ATOM 0 HA PRO A 24 -9.247 1.361 -9.388 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.339 -0.177 -7.683 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -8.932 -0.650 -8.239 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.715 -1.844 -9.326 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.088 -1.489 -10.356 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.553 0.173 -9.947 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.360 -0.209 -11.455 1.00 1.00 H new ATOM 360 N HIS A 25 -6.696 2.954 -8.410 1.00 1.00 N ATOM 361 CA HIS A 25 -6.188 4.011 -7.543 1.00 1.00 C ATOM 362 C HIS A 25 -5.805 5.239 -8.389 1.00 1.00 C ATOM 363 O HIS A 25 -4.793 5.884 -8.120 1.00 1.00 O ATOM 364 CB HIS A 25 -5.040 3.448 -6.692 1.00 1.00 C ATOM 365 CG HIS A 25 -5.362 2.255 -5.821 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.234 0.996 -6.249 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.813 2.174 -4.525 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.592 0.163 -5.259 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.958 0.838 -4.172 1.00 1.00 N ATOM 0 H HIS A 25 -6.128 2.796 -9.243 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.952 4.357 -6.847 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.225 3.171 -7.361 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.668 4.247 -6.051 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.916 0.714 -7.176 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.022 3.016 -3.882 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.584 -0.914 -5.335 1.00 1.00 H new ATOM 377 N GLU A 26 -6.632 5.521 -9.385 1.00 1.00 N ATOM 378 CA GLU A 26 -6.389 6.655 -10.261 1.00 1.00 C ATOM 379 C GLU A 26 -7.246 7.848 -9.835 1.00 1.00 C ATOM 380 O GLU A 26 -7.261 8.878 -10.508 1.00 1.00 O ATOM 381 CB GLU A 26 -6.652 6.284 -11.722 1.00 1.00 C ATOM 382 CG GLU A 26 -5.420 6.560 -12.588 1.00 1.00 C ATOM 383 CD GLU A 26 -5.802 7.323 -13.858 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.095 8.526 -13.794 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.788 6.621 -14.940 1.00 1.00 O ATOM 0 H GLU A 26 -7.471 4.984 -9.605 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.340 6.938 -10.175 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.921 5.230 -11.791 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.501 6.854 -12.099 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.692 7.137 -12.018 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.941 5.618 -12.856 1.00 1.00 H new ATOM 393 N LYS A 27 -7.940 7.670 -8.721 1.00 1.00 N ATOM 394 CA LYS A 27 -8.798 8.719 -8.197 1.00 1.00 C ATOM 395 C LYS A 27 -8.245 9.202 -6.855 1.00 1.00 C ATOM 396 O LYS A 27 -8.566 10.301 -6.406 1.00 1.00 O ATOM 397 CB LYS A 27 -10.249 8.240 -8.127 1.00 1.00 C ATOM 398 CG LYS A 27 -11.077 9.131 -7.200 1.00 1.00 C ATOM 399 CD LYS A 27 -12.522 9.243 -7.692 1.00 1.00 C ATOM 400 CE LYS A 27 -13.509 8.906 -6.573 1.00 1.00 C ATOM 401 NZ LYS A 27 -14.766 9.670 -6.744 1.00 1.00 N ATOM 0 H LYS A 27 -7.926 6.814 -8.166 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.802 9.578 -8.868 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.685 8.244 -9.126 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.279 7.211 -7.770 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -11.064 8.722 -6.190 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -10.629 10.123 -7.148 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -12.709 10.254 -8.055 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.677 8.568 -8.534 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -13.722 7.837 -6.578 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -13.064 9.138 -5.605 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -15.425 9.430 -5.976 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -14.559 10.689 -6.717 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -15.197 9.428 -7.659 1.00 1.00 H new ATOM 414 N VAL A 28 -7.423 8.356 -6.251 1.00 1.00 N ATOM 415 CA VAL A 28 -6.821 8.683 -4.969 1.00 1.00 C ATOM 416 C VAL A 28 -5.540 9.485 -5.201 1.00 1.00 C ATOM 417 O VAL A 28 -4.635 9.029 -5.900 1.00 1.00 O ATOM 418 CB VAL A 28 -6.589 7.405 -4.160 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.189 7.734 -2.720 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.824 6.503 -4.193 1.00 1.00 C ATOM 0 H VAL A 28 -7.160 7.445 -6.626 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.492 9.308 -4.380 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.765 6.861 -4.622 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.030 6.809 -2.166 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.269 8.318 -2.722 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.983 8.310 -2.244 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.632 5.602 -3.610 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.675 7.035 -3.768 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.046 6.228 -5.224 1.00 1.00 H new ATOM 430 N GLU A 29 -5.502 10.666 -4.603 1.00 1.00 N ATOM 431 CA GLU A 29 -4.346 11.536 -4.736 1.00 1.00 C ATOM 432 C GLU A 29 -3.056 10.740 -4.529 1.00 1.00 C ATOM 433 O GLU A 29 -2.982 9.891 -3.643 1.00 1.00 O ATOM 434 CB GLU A 29 -4.428 12.710 -3.758 1.00 1.00 C ATOM 435 CG GLU A 29 -5.024 13.947 -4.434 1.00 1.00 C ATOM 436 CD GLU A 29 -6.296 14.405 -3.717 1.00 1.00 C ATOM 437 OE1 GLU A 29 -7.380 14.410 -4.319 1.00 1.00 O ATOM 438 OE2 GLU A 29 -6.130 14.763 -2.489 1.00 1.00 O ATOM 0 H GLU A 29 -6.254 11.041 -4.025 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.339 11.946 -5.746 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.039 12.431 -2.900 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.433 12.942 -3.379 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.292 14.754 -4.434 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.251 13.722 -5.476 1.00 1.00 H new ATOM 446 N CYS A 30 -2.072 11.043 -5.363 1.00 1.00 N ATOM 447 CA CYS A 30 -0.789 10.366 -5.283 1.00 1.00 C ATOM 448 C CYS A 30 -0.278 10.472 -3.845 1.00 1.00 C ATOM 449 O CYS A 30 -0.109 9.460 -3.166 1.00 1.00 O ATOM 450 CB CYS A 30 0.215 10.935 -6.289 1.00 1.00 C ATOM 451 SG CYS A 30 -0.474 11.281 -7.948 1.00 1.00 S ATOM 0 H CYS A 30 -2.137 11.748 -6.097 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.913 9.316 -5.547 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.631 11.858 -5.884 1.00 1.00 H new ATOM 0 HB3 CYS A 30 1.041 10.232 -6.394 1.00 1.00 H new ATOM 456 N VAL A 31 -0.047 11.706 -3.423 1.00 1.00 N ATOM 457 CA VAL A 31 0.441 11.958 -2.078 1.00 1.00 C ATOM 458 C VAL A 31 -0.211 10.968 -1.110 1.00 1.00 C ATOM 459 O VAL A 31 0.482 10.252 -0.388 1.00 1.00 O ATOM 460 CB VAL A 31 0.194 13.419 -1.696 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.253 13.823 -1.984 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.552 13.670 -0.230 1.00 1.00 C ATOM 0 H VAL A 31 -0.189 12.543 -3.989 1.00 1.00 H new ATOM 0 HA VAL A 31 1.518 11.801 -2.027 1.00 1.00 H new ATOM 0 HB VAL A 31 0.844 14.041 -2.311 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.402 14.866 -1.704 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.460 13.700 -3.047 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.929 13.192 -1.407 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.367 14.716 0.016 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -0.061 13.034 0.408 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.605 13.440 -0.068 1.00 1.00 H new ATOM 472 N THR A 32 -1.536 10.960 -1.126 1.00 1.00 N ATOM 473 CA THR A 32 -2.289 10.070 -0.259 1.00 1.00 C ATOM 474 C THR A 32 -1.545 8.745 -0.078 1.00 1.00 C ATOM 475 O THR A 32 -1.516 8.191 1.019 1.00 1.00 O ATOM 476 CB THR A 32 -3.689 9.904 -0.853 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.083 11.232 -1.189 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.719 9.461 0.188 1.00 1.00 C ATOM 0 H THR A 32 -2.107 11.556 -1.726 1.00 1.00 H new ATOM 0 HA THR A 32 -2.392 10.488 0.742 1.00 1.00 H new ATOM 0 HB THR A 32 -3.655 9.175 -1.662 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.057 11.311 -1.120 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.695 9.358 -0.287 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.419 8.503 0.612 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.778 10.206 0.981 1.00 1.00 H new ATOM 486 N CYS A 33 -0.961 8.277 -1.171 1.00 1.00 N ATOM 487 CA CYS A 33 -0.219 7.028 -1.147 1.00 1.00 C ATOM 488 C CYS A 33 1.275 7.358 -1.120 1.00 1.00 C ATOM 489 O CYS A 33 2.009 6.883 -0.256 1.00 1.00 O ATOM 490 CB CYS A 33 -0.584 6.130 -2.331 1.00 1.00 C ATOM 491 SG CYS A 33 -1.674 4.771 -1.773 1.00 1.00 S ATOM 0 H CYS A 33 -0.987 8.740 -2.079 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.482 6.463 -0.253 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.085 6.716 -3.102 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.321 5.720 -2.780 1.00 1.00 H new ATOM 496 N HIS A 34 1.689 8.178 -2.086 1.00 1.00 N ATOM 497 CA HIS A 34 3.077 8.604 -2.221 1.00 1.00 C ATOM 498 C HIS A 34 3.342 9.813 -1.305 1.00 1.00 C ATOM 499 O HIS A 34 3.513 10.933 -1.782 1.00 1.00 O ATOM 500 CB HIS A 34 3.376 8.860 -3.706 1.00 1.00 C ATOM 501 CG HIS A 34 3.337 7.660 -4.623 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.345 6.787 -4.710 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.371 7.216 -5.495 1.00 1.00 C ATOM 504 CE1 HIS A 34 4.021 5.836 -5.601 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.812 6.053 -6.116 1.00 1.00 N ATOM 0 H HIS A 34 1.068 8.565 -2.797 1.00 1.00 H new ATOM 0 HA HIS A 34 3.767 7.827 -1.892 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.660 9.594 -4.076 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.364 9.313 -3.781 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.218 6.835 -4.185 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.419 7.695 -5.670 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.657 5.004 -5.865 1.00 1.00 H new ATOM 513 N HIS A 35 3.368 9.543 0.001 1.00 1.00 N ATOM 514 CA HIS A 35 3.607 10.564 1.015 1.00 1.00 C ATOM 515 C HIS A 35 4.813 11.431 0.608 1.00 1.00 C ATOM 516 O HIS A 35 5.623 11.014 -0.219 1.00 1.00 O ATOM 517 CB HIS A 35 3.753 9.881 2.383 1.00 1.00 C ATOM 518 CG HIS A 35 5.032 9.116 2.628 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.238 9.687 2.554 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.253 7.798 2.949 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.174 8.762 2.819 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.620 7.577 3.070 1.00 1.00 N ATOM 0 H HIS A 35 3.223 8.608 0.383 1.00 1.00 H new ATOM 0 HA HIS A 35 2.764 11.250 1.096 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.660 10.644 3.156 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.916 9.194 2.511 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.418 10.666 2.332 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.485 7.051 3.086 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.237 8.954 2.828 1.00 1.00 H new ATOM 530 N LEU A 36 4.891 12.610 1.206 1.00 1.00 N ATOM 531 CA LEU A 36 5.980 13.527 0.915 1.00 1.00 C ATOM 532 C LEU A 36 7.192 13.161 1.773 1.00 1.00 C ATOM 533 O LEU A 36 7.042 12.609 2.862 1.00 1.00 O ATOM 534 CB LEU A 36 5.521 14.976 1.084 1.00 1.00 C ATOM 535 CG LEU A 36 4.080 15.277 0.667 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.239 15.707 1.870 1.00 1.00 C ATOM 537 CD2 LEU A 36 4.040 16.311 -0.460 1.00 1.00 C ATOM 0 H LEU A 36 4.217 12.952 1.891 1.00 1.00 H new ATOM 0 HA LEU A 36 6.287 13.435 -0.127 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.641 15.254 2.131 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.187 15.617 0.506 1.00 1.00 H new ATOM 0 HG LEU A 36 3.639 14.360 0.278 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.219 15.915 1.546 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.228 14.908 2.611 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.669 16.606 2.312 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.004 16.507 -0.737 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.506 17.236 -0.122 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.581 15.927 -1.325 1.00 1.00 H new ATOM 549 N VAL A 37 8.366 13.484 1.251 1.00 1.00 N ATOM 550 CA VAL A 37 9.604 13.196 1.957 1.00 1.00 C ATOM 551 C VAL A 37 10.363 14.502 2.200 1.00 1.00 C ATOM 552 O VAL A 37 10.846 15.128 1.257 1.00 1.00 O ATOM 553 CB VAL A 37 10.423 12.165 1.178 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.792 11.949 1.825 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.662 10.844 1.050 1.00 1.00 C ATOM 0 H VAL A 37 8.487 13.942 0.348 1.00 1.00 H new ATOM 0 HA VAL A 37 9.394 12.755 2.932 1.00 1.00 H new ATOM 0 HB VAL A 37 10.586 12.556 0.174 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.353 11.212 1.251 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.340 12.891 1.840 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.660 11.590 2.846 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.266 10.129 0.492 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.454 10.446 2.043 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.723 11.015 0.523 1.00 1.00 H new ATOM 565 N ASP A 38 10.443 14.875 3.468 1.00 1.00 N ATOM 566 CA ASP A 38 11.135 16.095 3.847 1.00 1.00 C ATOM 567 C ASP A 38 10.595 17.261 3.016 1.00 1.00 C ATOM 568 O ASP A 38 11.356 18.132 2.595 1.00 1.00 O ATOM 569 CB ASP A 38 12.638 15.981 3.582 1.00 1.00 C ATOM 570 CG ASP A 38 13.533 16.561 4.679 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.280 16.371 5.878 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.543 17.244 4.254 1.00 1.00 O ATOM 0 H ASP A 38 10.040 14.354 4.247 1.00 1.00 H new ATOM 0 HA ASP A 38 10.968 16.261 4.911 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.889 14.929 3.447 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.866 16.486 2.643 1.00 1.00 H new ATOM 578 N GLY A 39 9.288 17.241 2.806 1.00 1.00 N ATOM 579 CA GLY A 39 8.637 18.285 2.033 1.00 1.00 C ATOM 580 C GLY A 39 9.194 18.341 0.609 1.00 1.00 C ATOM 581 O GLY A 39 9.229 19.405 -0.007 1.00 1.00 O ATOM 0 H GLY A 39 8.661 16.518 3.158 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.563 18.102 2.000 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.782 19.248 2.522 1.00 1.00 H new ATOM 585 N LYS A 40 9.616 17.181 0.127 1.00 1.00 N ATOM 586 CA LYS A 40 10.169 17.084 -1.213 1.00 1.00 C ATOM 587 C LYS A 40 9.461 15.960 -1.972 1.00 1.00 C ATOM 588 O LYS A 40 9.778 14.786 -1.788 1.00 1.00 O ATOM 589 CB LYS A 40 11.690 16.923 -1.155 1.00 1.00 C ATOM 590 CG LYS A 40 12.355 17.556 -2.378 1.00 1.00 C ATOM 591 CD LYS A 40 12.935 18.931 -2.038 1.00 1.00 C ATOM 592 CE LYS A 40 13.502 19.611 -3.286 1.00 1.00 C ATOM 593 NZ LYS A 40 14.712 18.902 -3.757 1.00 1.00 N ATOM 0 H LYS A 40 9.586 16.300 0.641 1.00 1.00 H new ATOM 0 HA LYS A 40 9.990 18.006 -1.766 1.00 1.00 H new ATOM 0 HB2 LYS A 40 12.074 17.387 -0.247 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.946 15.865 -1.105 1.00 1.00 H new ATOM 0 HG2 LYS A 40 13.148 16.903 -2.744 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.626 17.654 -3.183 1.00 1.00 H new ATOM 0 HD2 LYS A 40 12.159 19.558 -1.598 1.00 1.00 H new ATOM 0 HD3 LYS A 40 13.720 18.823 -1.290 1.00 1.00 H new ATOM 0 HE2 LYS A 40 12.750 19.622 -4.075 1.00 1.00 H new ATOM 0 HE3 LYS A 40 13.746 20.650 -3.063 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 15.161 19.450 -4.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 15.380 18.794 -2.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 14.446 17.963 -4.117 1.00 1.00 H new ATOM 606 N GLU A 41 8.515 16.360 -2.810 1.00 1.00 N ATOM 607 CA GLU A 41 7.759 15.401 -3.598 1.00 1.00 C ATOM 608 C GLU A 41 8.696 14.349 -4.195 1.00 1.00 C ATOM 609 O GLU A 41 9.671 14.689 -4.864 1.00 1.00 O ATOM 610 CB GLU A 41 6.955 16.104 -4.693 1.00 1.00 C ATOM 611 CG GLU A 41 5.617 16.612 -4.150 1.00 1.00 C ATOM 612 CD GLU A 41 5.036 17.700 -5.055 1.00 1.00 C ATOM 613 OE1 GLU A 41 4.525 17.394 -6.143 1.00 1.00 O ATOM 614 OE2 GLU A 41 5.128 18.901 -4.593 1.00 1.00 O ATOM 0 H GLU A 41 8.255 17.335 -2.960 1.00 1.00 H new ATOM 0 HA GLU A 41 7.051 14.897 -2.940 1.00 1.00 H new ATOM 0 HB2 GLU A 41 7.530 16.939 -5.092 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.778 15.415 -5.519 1.00 1.00 H new ATOM 0 HG2 GLU A 41 4.913 15.783 -4.074 1.00 1.00 H new ATOM 0 HG3 GLU A 41 5.755 17.007 -3.143 1.00 1.00 H new ATOM 622 N SER A 42 8.368 13.093 -3.933 1.00 1.00 N ATOM 623 CA SER A 42 9.168 11.989 -4.436 1.00 1.00 C ATOM 624 C SER A 42 8.256 10.851 -4.898 1.00 1.00 C ATOM 625 O SER A 42 7.108 10.722 -4.480 1.00 1.00 O ATOM 626 CB SER A 42 10.146 11.487 -3.372 1.00 1.00 C ATOM 627 OG SER A 42 11.035 10.500 -3.887 1.00 1.00 O ATOM 0 H SER A 42 7.558 12.815 -3.378 1.00 1.00 H new ATOM 0 HA SER A 42 9.750 12.347 -5.285 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.722 12.327 -2.984 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.587 11.070 -2.534 1.00 1.00 H new ATOM 0 HG SER A 42 11.644 10.206 -3.178 1.00 1.00 H new ATOM 633 N TYR A 43 8.802 10.015 -5.785 1.00 1.00 N ATOM 634 CA TYR A 43 8.069 8.887 -6.322 1.00 1.00 C ATOM 635 C TYR A 43 9.002 7.694 -6.483 1.00 1.00 C ATOM 636 O TYR A 43 9.111 7.170 -7.590 1.00 1.00 O ATOM 637 CB TYR A 43 7.452 9.275 -7.662 1.00 1.00 C ATOM 638 CG TYR A 43 6.348 10.298 -7.544 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.662 11.660 -7.467 1.00 1.00 C ATOM 640 CD2 TYR A 43 5.011 9.885 -7.510 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.638 12.609 -7.358 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.987 10.834 -7.400 1.00 1.00 C ATOM 643 CZ TYR A 43 4.301 12.196 -7.324 1.00 1.00 C ATOM 644 OH TYR A 43 3.304 13.121 -7.218 1.00 1.00 O ATOM 0 H TYR A 43 9.753 10.107 -6.142 1.00 1.00 H new ATOM 0 HA TYR A 43 7.270 8.607 -5.636 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.233 9.669 -8.312 1.00 1.00 H new ATOM 0 HB3 TYR A 43 7.057 8.380 -8.144 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.694 11.979 -7.492 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.769 8.834 -7.569 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.880 13.660 -7.300 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.955 10.515 -7.374 1.00 1.00 H new ATOM 0 HH TYR A 43 2.436 12.667 -7.209 1.00 1.00 H new ATOM 654 N ALA A 44 9.646 7.294 -5.396 1.00 1.00 N ATOM 655 CA ALA A 44 10.559 6.165 -5.441 1.00 1.00 C ATOM 656 C ALA A 44 9.843 4.914 -4.928 1.00 1.00 C ATOM 657 O ALA A 44 9.052 4.989 -3.989 1.00 1.00 O ATOM 658 CB ALA A 44 11.815 6.492 -4.630 1.00 1.00 C ATOM 0 H ALA A 44 9.553 7.732 -4.479 1.00 1.00 H new ATOM 0 HA ALA A 44 10.874 5.967 -6.465 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.500 5.645 -4.663 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.303 7.370 -5.053 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.538 6.694 -3.595 1.00 1.00 H new ATOM 664 N LYS A 45 10.146 3.794 -5.567 1.00 1.00 N ATOM 665 CA LYS A 45 9.542 2.529 -5.187 1.00 1.00 C ATOM 666 C LYS A 45 9.540 2.407 -3.662 1.00 1.00 C ATOM 667 O LYS A 45 10.391 2.985 -2.988 1.00 1.00 O ATOM 668 CB LYS A 45 10.240 1.367 -5.896 1.00 1.00 C ATOM 669 CG LYS A 45 11.675 1.200 -5.392 1.00 1.00 C ATOM 670 CD LYS A 45 12.669 1.213 -6.556 1.00 1.00 C ATOM 671 CE LYS A 45 13.721 0.115 -6.390 1.00 1.00 C ATOM 672 NZ LYS A 45 14.805 0.281 -7.384 1.00 1.00 N ATOM 0 H LYS A 45 10.802 3.736 -6.346 1.00 1.00 H new ATOM 0 HA LYS A 45 8.502 2.491 -5.511 1.00 1.00 H new ATOM 0 HB2 LYS A 45 9.682 0.446 -5.728 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.247 1.544 -6.972 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.915 2.003 -4.695 1.00 1.00 H new ATOM 0 HG3 LYS A 45 11.765 0.263 -4.843 1.00 1.00 H new ATOM 0 HD2 LYS A 45 12.136 1.072 -7.496 1.00 1.00 H new ATOM 0 HD3 LYS A 45 13.158 2.185 -6.610 1.00 1.00 H new ATOM 0 HE2 LYS A 45 14.135 0.149 -5.382 1.00 1.00 H new ATOM 0 HE3 LYS A 45 13.256 -0.863 -6.510 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 15.511 -0.472 -7.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 14.408 0.226 -8.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 15.260 1.207 -7.251 1.00 1.00 H new ATOM 685 N CYS A 46 8.573 1.651 -3.162 1.00 1.00 N ATOM 686 CA CYS A 46 8.449 1.445 -1.729 1.00 1.00 C ATOM 687 C CYS A 46 9.819 1.042 -1.181 1.00 1.00 C ATOM 688 O CYS A 46 10.145 1.340 -0.033 1.00 1.00 O ATOM 689 CB CYS A 46 7.374 0.409 -1.397 1.00 1.00 C ATOM 690 SG CYS A 46 5.844 1.098 -0.665 1.00 1.00 S ATOM 0 H CYS A 46 7.868 1.174 -3.724 1.00 1.00 H new ATOM 0 HA CYS A 46 8.127 2.371 -1.253 1.00 1.00 H new ATOM 0 HB2 CYS A 46 7.114 -0.129 -2.309 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.794 -0.321 -0.705 1.00 1.00 H new ATOM 695 N GLY A 47 10.585 0.369 -2.028 1.00 1.00 N ATOM 696 CA GLY A 47 11.913 -0.079 -1.643 1.00 1.00 C ATOM 697 C GLY A 47 12.993 0.698 -2.398 1.00 1.00 C ATOM 698 O GLY A 47 13.747 0.120 -3.179 1.00 1.00 O ATOM 0 H GLY A 47 10.311 0.123 -2.979 1.00 1.00 H new ATOM 0 HA2 GLY A 47 12.048 0.053 -0.569 1.00 1.00 H new ATOM 0 HA3 GLY A 47 12.015 -1.144 -1.849 1.00 1.00 H new ATOM 702 N SER A 48 13.034 1.997 -2.137 1.00 1.00 N ATOM 703 CA SER A 48 14.010 2.859 -2.782 1.00 1.00 C ATOM 704 C SER A 48 15.150 3.176 -1.812 1.00 1.00 C ATOM 705 O SER A 48 15.049 2.897 -0.618 1.00 1.00 O ATOM 706 CB SER A 48 13.360 4.151 -3.279 1.00 1.00 C ATOM 707 OG SER A 48 14.328 5.102 -3.716 1.00 1.00 O ATOM 0 H SER A 48 12.407 2.473 -1.488 1.00 1.00 H new ATOM 0 HA SER A 48 14.414 2.332 -3.647 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.680 3.922 -4.100 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.760 4.586 -2.480 1.00 1.00 H new ATOM 0 HG SER A 48 14.146 5.970 -3.298 1.00 1.00 H new ATOM 713 N SER A 49 16.207 3.756 -2.360 1.00 1.00 N ATOM 714 CA SER A 49 17.365 4.115 -1.558 1.00 1.00 C ATOM 715 C SER A 49 16.927 4.945 -0.350 1.00 1.00 C ATOM 716 O SER A 49 16.165 5.900 -0.492 1.00 1.00 O ATOM 717 CB SER A 49 18.392 4.886 -2.388 1.00 1.00 C ATOM 718 OG SER A 49 17.860 6.106 -2.898 1.00 1.00 O ATOM 0 H SER A 49 16.286 3.987 -3.350 1.00 1.00 H new ATOM 0 HA SER A 49 17.837 3.197 -1.208 1.00 1.00 H new ATOM 0 HB2 SER A 49 19.267 5.101 -1.774 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.729 4.263 -3.217 1.00 1.00 H new ATOM 0 HG SER A 49 17.175 6.446 -2.285 1.00 1.00 H new ATOM 724 N GLY A 50 17.427 4.550 0.812 1.00 1.00 N ATOM 725 CA GLY A 50 17.097 5.246 2.044 1.00 1.00 C ATOM 726 C GLY A 50 15.582 5.317 2.245 1.00 1.00 C ATOM 727 O GLY A 50 15.031 6.393 2.469 1.00 1.00 O ATOM 0 H GLY A 50 18.058 3.757 0.926 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.556 4.733 2.889 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.512 6.254 2.019 1.00 1.00 H new ATOM 731 N CYS A 51 14.951 4.155 2.157 1.00 1.00 N ATOM 732 CA CYS A 51 13.510 4.071 2.327 1.00 1.00 C ATOM 733 C CYS A 51 13.181 2.727 2.981 1.00 1.00 C ATOM 734 O CYS A 51 13.926 2.239 3.828 1.00 1.00 O ATOM 735 CB CYS A 51 12.773 4.255 0.999 1.00 1.00 C ATOM 736 SG CYS A 51 13.437 5.711 0.111 1.00 1.00 S ATOM 0 H CYS A 51 15.411 3.264 1.970 1.00 1.00 H new ATOM 0 HA CYS A 51 13.169 4.881 2.972 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.885 3.362 0.385 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.706 4.385 1.181 1.00 1.00 H new ATOM 741 N HIS A 52 12.051 2.158 2.560 1.00 1.00 N ATOM 742 CA HIS A 52 11.573 0.877 3.068 1.00 1.00 C ATOM 743 C HIS A 52 12.099 -0.265 2.179 1.00 1.00 C ATOM 744 O HIS A 52 11.368 -0.775 1.332 1.00 1.00 O ATOM 745 CB HIS A 52 10.043 0.930 3.190 1.00 1.00 C ATOM 746 CG HIS A 52 9.444 2.229 3.678 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.451 2.585 4.966 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.818 3.249 3.002 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.852 3.780 5.088 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.442 4.235 3.905 1.00 1.00 N ATOM 0 H HIS A 52 11.442 2.575 1.856 1.00 1.00 H new ATOM 0 HA HIS A 52 11.959 0.675 4.067 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.616 0.705 2.213 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.728 0.135 3.866 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.847 2.038 5.731 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.646 3.279 1.936 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.720 4.304 6.023 1.00 1.00 H new ATOM 758 N ASP A 53 13.354 -0.627 2.404 1.00 1.00 N ATOM 759 CA ASP A 53 13.974 -1.693 1.636 1.00 1.00 C ATOM 760 C ASP A 53 14.679 -2.659 2.590 1.00 1.00 C ATOM 761 O ASP A 53 15.854 -2.973 2.405 1.00 1.00 O ATOM 762 CB ASP A 53 15.021 -1.137 0.668 1.00 1.00 C ATOM 763 CG ASP A 53 15.181 -1.924 -0.633 1.00 1.00 C ATOM 764 OD1 ASP A 53 14.261 -1.981 -1.463 1.00 1.00 O ATOM 765 OD2 ASP A 53 16.323 -2.505 -0.783 1.00 1.00 O ATOM 0 H ASP A 53 13.958 -0.201 3.107 1.00 1.00 H new ATOM 0 HA ASP A 53 13.192 -2.200 1.070 1.00 1.00 H new ATOM 0 HB2 ASP A 53 14.757 -0.108 0.423 1.00 1.00 H new ATOM 0 HB3 ASP A 53 15.984 -1.106 1.177 1.00 1.00 H new ATOM 771 N ASP A 54 13.932 -3.104 3.590 1.00 1.00 N ATOM 772 CA ASP A 54 14.470 -4.028 4.573 1.00 1.00 C ATOM 773 C ASP A 54 13.321 -4.805 5.219 1.00 1.00 C ATOM 774 O ASP A 54 12.713 -4.336 6.180 1.00 1.00 O ATOM 775 CB ASP A 54 15.217 -3.282 5.680 1.00 1.00 C ATOM 776 CG ASP A 54 16.635 -3.787 5.958 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.830 -4.929 6.400 1.00 1.00 O ATOM 778 OD2 ASP A 54 17.575 -2.943 5.698 1.00 1.00 O ATOM 0 H ASP A 54 12.958 -2.841 3.740 1.00 1.00 H new ATOM 0 HA ASP A 54 15.160 -4.699 4.062 1.00 1.00 H new ATOM 0 HB2 ASP A 54 15.269 -2.226 5.414 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.636 -3.351 6.600 1.00 1.00 H new ATOM 784 N LEU A 55 13.059 -5.980 4.666 1.00 1.00 N ATOM 785 CA LEU A 55 11.993 -6.826 5.176 1.00 1.00 C ATOM 786 C LEU A 55 12.566 -7.784 6.223 1.00 1.00 C ATOM 787 O LEU A 55 11.927 -8.772 6.581 1.00 1.00 O ATOM 788 CB LEU A 55 11.272 -7.532 4.026 1.00 1.00 C ATOM 789 CG LEU A 55 9.750 -7.624 4.144 1.00 1.00 C ATOM 790 CD1 LEU A 55 9.111 -6.234 4.089 1.00 1.00 C ATOM 791 CD2 LEU A 55 9.172 -8.563 3.083 1.00 1.00 C ATOM 0 H LEU A 55 13.566 -6.366 3.870 1.00 1.00 H new ATOM 0 HA LEU A 55 11.234 -6.224 5.675 1.00 1.00 H new ATOM 0 HB2 LEU A 55 11.514 -7.013 3.099 1.00 1.00 H new ATOM 0 HB3 LEU A 55 11.671 -8.542 3.939 1.00 1.00 H new ATOM 0 HG LEU A 55 9.509 -8.052 5.117 1.00 1.00 H new ATOM 0 HD11 LEU A 55 8.028 -6.328 4.175 1.00 1.00 H new ATOM 0 HD12 LEU A 55 9.489 -5.627 4.911 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.360 -5.756 3.141 1.00 1.00 H new ATOM 0 HD21 LEU A 55 8.088 -8.610 3.190 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.423 -8.189 2.090 1.00 1.00 H new ATOM 0 HD23 LEU A 55 9.593 -9.560 3.212 1.00 1.00 H new ATOM 803 N THR A 56 13.764 -7.456 6.686 1.00 1.00 N ATOM 804 CA THR A 56 14.429 -8.275 7.685 1.00 1.00 C ATOM 805 C THR A 56 13.742 -8.123 9.043 1.00 1.00 C ATOM 806 O THR A 56 13.908 -8.964 9.924 1.00 1.00 O ATOM 807 CB THR A 56 15.909 -7.886 7.705 1.00 1.00 C ATOM 808 OG1 THR A 56 16.471 -8.601 6.608 1.00 1.00 O ATOM 809 CG2 THR A 56 16.643 -8.440 8.927 1.00 1.00 C ATOM 0 H THR A 56 14.291 -6.635 6.388 1.00 1.00 H new ATOM 0 HA THR A 56 14.359 -9.334 7.439 1.00 1.00 H new ATOM 0 HB THR A 56 15.999 -6.800 7.689 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.429 -8.405 6.546 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.689 -8.135 8.892 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.182 -8.052 9.835 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.582 -9.528 8.926 1.00 1.00 H new ATOM 817 N ALA A 57 12.985 -7.043 9.169 1.00 1.00 N ATOM 818 CA ALA A 57 12.271 -6.770 10.405 1.00 1.00 C ATOM 819 C ALA A 57 10.782 -7.057 10.204 1.00 1.00 C ATOM 820 O ALA A 57 10.312 -7.149 9.071 1.00 1.00 O ATOM 821 CB ALA A 57 12.533 -5.326 10.837 1.00 1.00 C ATOM 0 H ALA A 57 12.850 -6.347 8.436 1.00 1.00 H new ATOM 0 HA ALA A 57 12.626 -7.420 11.205 1.00 1.00 H new ATOM 0 HB1 ALA A 57 11.998 -5.121 11.764 1.00 1.00 H new ATOM 0 HB2 ALA A 57 13.602 -5.182 10.996 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.187 -4.645 10.060 1.00 1.00 H new ATOM 827 N LYS A 58 10.082 -7.191 11.321 1.00 1.00 N ATOM 828 CA LYS A 58 8.656 -7.466 11.282 1.00 1.00 C ATOM 829 C LYS A 58 7.884 -6.183 11.594 1.00 1.00 C ATOM 830 O LYS A 58 6.655 -6.166 11.546 1.00 1.00 O ATOM 831 CB LYS A 58 8.309 -8.633 12.209 1.00 1.00 C ATOM 832 CG LYS A 58 8.283 -9.956 11.439 1.00 1.00 C ATOM 833 CD LYS A 58 7.451 -11.004 12.180 1.00 1.00 C ATOM 834 CE LYS A 58 8.108 -12.384 12.098 1.00 1.00 C ATOM 835 NZ LYS A 58 7.329 -13.375 12.873 1.00 1.00 N ATOM 0 H LYS A 58 10.476 -7.114 12.259 1.00 1.00 H new ATOM 0 HA LYS A 58 8.357 -7.783 10.283 1.00 1.00 H new ATOM 0 HB2 LYS A 58 9.040 -8.692 13.015 1.00 1.00 H new ATOM 0 HB3 LYS A 58 7.338 -8.458 12.672 1.00 1.00 H new ATOM 0 HG2 LYS A 58 7.868 -9.794 10.444 1.00 1.00 H new ATOM 0 HG3 LYS A 58 9.301 -10.323 11.304 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.338 -10.712 13.224 1.00 1.00 H new ATOM 0 HD3 LYS A 58 6.450 -11.048 11.752 1.00 1.00 H new ATOM 0 HE2 LYS A 58 8.176 -12.700 11.057 1.00 1.00 H new ATOM 0 HE3 LYS A 58 9.127 -12.332 12.483 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 7.788 -14.306 12.807 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 7.286 -13.080 13.869 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 6.365 -13.437 12.488 1.00 1.00 H new ATOM 848 N LYS A 59 8.638 -5.139 11.908 1.00 1.00 N ATOM 849 CA LYS A 59 8.040 -3.854 12.228 1.00 1.00 C ATOM 850 C LYS A 59 9.144 -2.805 12.375 1.00 1.00 C ATOM 851 O LYS A 59 10.132 -3.032 13.072 1.00 1.00 O ATOM 852 CB LYS A 59 7.139 -3.974 13.459 1.00 1.00 C ATOM 853 CG LYS A 59 7.933 -4.449 14.677 1.00 1.00 C ATOM 854 CD LYS A 59 7.446 -3.760 15.953 1.00 1.00 C ATOM 855 CE LYS A 59 8.594 -3.566 16.944 1.00 1.00 C ATOM 856 NZ LYS A 59 8.968 -4.858 17.564 1.00 1.00 N ATOM 0 H LYS A 59 9.657 -5.157 11.948 1.00 1.00 H new ATOM 0 HA LYS A 59 7.391 -3.524 11.417 1.00 1.00 H new ATOM 0 HB2 LYS A 59 6.680 -3.009 13.674 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.329 -4.673 13.254 1.00 1.00 H new ATOM 0 HG2 LYS A 59 7.833 -5.529 14.782 1.00 1.00 H new ATOM 0 HG3 LYS A 59 8.992 -4.240 14.529 1.00 1.00 H new ATOM 0 HD2 LYS A 59 7.009 -2.793 15.704 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.659 -4.356 16.415 1.00 1.00 H new ATOM 0 HE2 LYS A 59 9.456 -3.139 16.432 1.00 1.00 H new ATOM 0 HE3 LYS A 59 8.299 -2.857 17.717 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 9.749 -4.708 18.234 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 8.148 -5.251 18.070 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 9.270 -5.524 16.824 1.00 1.00 H new ATOM 869 N GLY A 60 8.939 -1.679 11.708 1.00 1.00 N ATOM 870 CA GLY A 60 9.905 -0.595 11.756 1.00 1.00 C ATOM 871 C GLY A 60 9.847 0.248 10.480 1.00 1.00 C ATOM 872 O GLY A 60 9.380 -0.221 9.443 1.00 1.00 O ATOM 0 H GLY A 60 8.118 -1.494 11.131 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.706 0.036 12.622 1.00 1.00 H new ATOM 0 HA3 GLY A 60 10.908 -1.002 11.882 1.00 1.00 H new ATOM 876 N GLU A 61 10.329 1.476 10.598 1.00 1.00 N ATOM 877 CA GLU A 61 10.338 2.388 9.467 1.00 1.00 C ATOM 878 C GLU A 61 11.079 1.760 8.284 1.00 1.00 C ATOM 879 O GLU A 61 10.768 2.047 7.129 1.00 1.00 O ATOM 880 CB GLU A 61 10.959 3.733 9.851 1.00 1.00 C ATOM 881 CG GLU A 61 12.159 3.537 10.780 1.00 1.00 C ATOM 882 CD GLU A 61 11.841 4.022 12.196 1.00 1.00 C ATOM 883 OE1 GLU A 61 11.189 3.301 12.966 1.00 1.00 O ATOM 884 OE2 GLU A 61 12.299 5.192 12.487 1.00 1.00 O ATOM 0 H GLU A 61 10.716 1.861 11.460 1.00 1.00 H new ATOM 0 HA GLU A 61 9.307 2.574 9.168 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.273 4.263 8.952 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.212 4.356 10.343 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.435 2.483 10.806 1.00 1.00 H new ATOM 0 HG3 GLU A 61 13.019 4.082 10.390 1.00 1.00 H new ATOM 892 N LYS A 62 12.045 0.915 8.613 1.00 1.00 N ATOM 893 CA LYS A 62 12.832 0.245 7.593 1.00 1.00 C ATOM 894 C LYS A 62 12.193 -1.107 7.268 1.00 1.00 C ATOM 895 O LYS A 62 12.892 -2.065 6.942 1.00 1.00 O ATOM 896 CB LYS A 62 14.296 0.144 8.026 1.00 1.00 C ATOM 897 CG LYS A 62 14.749 1.425 8.731 1.00 1.00 C ATOM 898 CD LYS A 62 14.738 1.248 10.250 1.00 1.00 C ATOM 899 CE LYS A 62 16.127 0.868 10.768 1.00 1.00 C ATOM 900 NZ LYS A 62 16.520 1.747 11.892 1.00 1.00 N ATOM 0 H LYS A 62 12.300 0.679 9.572 1.00 1.00 H new ATOM 0 HA LYS A 62 12.835 0.827 6.671 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.423 -0.708 8.694 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.925 -0.038 7.155 1.00 1.00 H new ATOM 0 HG2 LYS A 62 15.753 1.691 8.400 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.092 2.249 8.453 1.00 1.00 H new ATOM 0 HD2 LYS A 62 14.409 2.172 10.725 1.00 1.00 H new ATOM 0 HD3 LYS A 62 14.020 0.475 10.524 1.00 1.00 H new ATOM 0 HE2 LYS A 62 16.128 -0.172 11.095 1.00 1.00 H new ATOM 0 HE3 LYS A 62 16.857 0.950 9.962 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 17.465 1.475 12.231 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 16.539 2.736 11.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 15.833 1.649 12.666 1.00 1.00 H new ATOM 913 N SER A 63 10.873 -1.140 7.368 1.00 1.00 N ATOM 914 CA SER A 63 10.131 -2.358 7.089 1.00 1.00 C ATOM 915 C SER A 63 8.970 -2.058 6.139 1.00 1.00 C ATOM 916 O SER A 63 8.264 -1.066 6.310 1.00 1.00 O ATOM 917 CB SER A 63 9.610 -2.994 8.379 1.00 1.00 C ATOM 918 OG SER A 63 9.406 -4.397 8.239 1.00 1.00 O ATOM 0 H SER A 63 10.297 -0.343 7.638 1.00 1.00 H new ATOM 0 HA SER A 63 10.807 -3.068 6.613 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.319 -2.810 9.186 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.672 -2.518 8.664 1.00 1.00 H new ATOM 0 HG SER A 63 10.053 -4.879 8.796 1.00 1.00 H new ATOM 924 N LEU A 64 8.809 -2.934 5.157 1.00 1.00 N ATOM 925 CA LEU A 64 7.746 -2.776 4.180 1.00 1.00 C ATOM 926 C LEU A 64 6.558 -3.652 4.578 1.00 1.00 C ATOM 927 O LEU A 64 5.866 -4.233 3.745 1.00 1.00 O ATOM 928 CB LEU A 64 8.270 -3.054 2.769 1.00 1.00 C ATOM 929 CG LEU A 64 7.287 -2.794 1.626 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.896 -1.316 1.564 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.851 -3.294 0.294 1.00 1.00 C ATOM 0 H LEU A 64 9.398 -3.755 5.018 1.00 1.00 H new ATOM 0 HA LEU A 64 7.391 -1.745 4.167 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.157 -2.442 2.605 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.587 -4.096 2.719 1.00 1.00 H new ATOM 0 HG LEU A 64 6.376 -3.360 1.823 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.197 -1.159 0.743 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.425 -1.025 2.503 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.788 -0.710 1.402 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.133 -3.097 -0.502 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.785 -2.775 0.077 1.00 1.00 H new ATOM 0 HD23 LEU A 64 8.038 -4.366 0.357 1.00 1.00 H new ATOM 943 N TYR A 65 6.333 -3.735 5.892 1.00 1.00 N ATOM 944 CA TYR A 65 5.246 -4.527 6.431 1.00 1.00 C ATOM 945 C TYR A 65 4.428 -3.688 7.402 1.00 1.00 C ATOM 946 O TYR A 65 3.215 -3.858 7.505 1.00 1.00 O ATOM 947 CB TYR A 65 5.815 -5.760 7.129 1.00 1.00 C ATOM 948 CG TYR A 65 4.912 -6.314 8.205 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.928 -7.255 7.878 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.058 -5.886 9.530 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.091 -7.768 8.875 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.221 -6.399 10.528 1.00 1.00 C ATOM 953 CZ TYR A 65 3.237 -7.340 10.200 1.00 1.00 C ATOM 954 OH TYR A 65 2.421 -7.840 11.172 1.00 1.00 O ATOM 0 H TYR A 65 6.896 -3.259 6.597 1.00 1.00 H new ATOM 0 HA TYR A 65 4.591 -4.852 5.622 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.999 -6.536 6.386 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.779 -5.506 7.570 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.815 -7.585 6.856 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.817 -5.160 9.782 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.332 -8.494 8.622 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.334 -6.069 11.550 1.00 1.00 H new ATOM 0 HH TYR A 65 2.656 -7.439 12.035 1.00 1.00 H new ATOM 964 N TYR A 66 5.096 -2.779 8.116 1.00 1.00 N ATOM 965 CA TYR A 66 4.428 -1.920 9.074 1.00 1.00 C ATOM 966 C TYR A 66 3.906 -0.673 8.374 1.00 1.00 C ATOM 967 O TYR A 66 3.258 0.145 9.023 1.00 1.00 O ATOM 968 CB TYR A 66 5.404 -1.547 10.186 1.00 1.00 C ATOM 969 CG TYR A 66 4.792 -0.675 11.257 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.954 -1.240 12.225 1.00 1.00 C ATOM 971 CD2 TYR A 66 5.064 0.698 11.281 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.387 -0.432 13.218 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.498 1.506 12.274 1.00 1.00 C ATOM 974 CZ TYR A 66 3.659 0.941 13.242 1.00 1.00 C ATOM 975 OH TYR A 66 3.107 1.729 14.210 1.00 1.00 O ATOM 0 H TYR A 66 6.102 -2.625 8.042 1.00 1.00 H new ATOM 0 HA TYR A 66 3.581 -2.447 9.512 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.785 -2.459 10.645 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.258 -1.028 9.750 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.745 -2.299 12.206 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.710 1.134 10.534 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.740 -0.868 13.965 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.708 2.565 12.293 1.00 1.00 H new ATOM 0 HH TYR A 66 3.398 2.656 14.083 1.00 1.00 H new ATOM 985 N VAL A 67 4.192 -0.553 7.086 1.00 1.00 N ATOM 986 CA VAL A 67 3.741 0.600 6.324 1.00 1.00 C ATOM 987 C VAL A 67 2.819 0.131 5.197 1.00 1.00 C ATOM 988 O VAL A 67 2.388 0.932 4.369 1.00 1.00 O ATOM 989 CB VAL A 67 4.946 1.396 5.818 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.896 1.742 6.966 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.678 0.638 4.709 1.00 1.00 C ATOM 0 H VAL A 67 4.730 -1.234 6.551 1.00 1.00 H new ATOM 0 HA VAL A 67 3.165 1.275 6.957 1.00 1.00 H new ATOM 0 HB VAL A 67 4.577 2.331 5.396 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.744 2.308 6.579 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.368 2.342 7.707 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.255 0.824 7.431 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.530 1.226 4.368 1.00 1.00 H new ATOM 0 HG22 VAL A 67 6.029 -0.320 5.093 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.998 0.467 3.875 1.00 1.00 H new ATOM 1001 N VAL A 68 2.542 -1.165 5.202 1.00 1.00 N ATOM 1002 CA VAL A 68 1.678 -1.749 4.190 1.00 1.00 C ATOM 1003 C VAL A 68 0.312 -2.054 4.807 1.00 1.00 C ATOM 1004 O VAL A 68 -0.726 -1.774 4.210 1.00 1.00 O ATOM 1005 CB VAL A 68 2.347 -2.983 3.580 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.302 -3.976 3.067 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.319 -2.585 2.467 1.00 1.00 C ATOM 0 H VAL A 68 2.900 -1.827 5.891 1.00 1.00 H new ATOM 0 HA VAL A 68 1.517 -1.046 3.373 1.00 1.00 H new ATOM 0 HB VAL A 68 2.920 -3.476 4.365 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.804 -4.844 2.639 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.667 -4.296 3.893 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.689 -3.497 2.303 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.781 -3.480 2.050 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.777 -2.057 1.682 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.092 -1.934 2.875 1.00 1.00 H new ATOM 1017 N HIS A 69 0.352 -2.631 6.009 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.849 -2.995 6.753 1.00 1.00 C ATOM 1019 C HIS A 69 -1.167 -1.906 7.793 1.00 1.00 C ATOM 1020 O HIS A 69 -2.010 -1.044 7.548 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.659 -4.399 7.345 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.193 -5.480 6.397 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.100 -5.717 6.155 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.896 -6.383 5.635 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.199 -6.728 5.278 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.004 -7.176 4.923 1.00 1.00 N ATOM 0 H HIS A 69 1.221 -2.858 6.493 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.722 -3.045 6.103 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.060 -4.329 8.161 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.607 -4.715 7.781 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.883 -5.212 6.569 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.972 -6.463 5.596 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.132 -7.126 4.908 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.479 -1.983 8.923 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.680 -1.017 9.989 1.00 1.00 C ATOM 1036 C ALA A 70 -1.974 -0.242 9.732 1.00 1.00 C ATOM 1037 O ALA A 70 -1.957 0.803 9.083 1.00 1.00 O ATOM 1038 CB ALA A 70 0.540 -0.100 10.085 1.00 1.00 C ATOM 0 H ALA A 70 0.218 -2.700 9.123 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.784 -1.522 10.949 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.388 0.625 10.885 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.427 -0.696 10.298 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.675 0.426 9.140 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.065 -0.784 10.253 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.365 -0.156 10.088 1.00 1.00 C ATOM 1046 C ARG A 71 -4.650 0.790 11.256 1.00 1.00 C ATOM 1047 O ARG A 71 -5.804 1.125 11.521 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.476 -1.204 10.006 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.781 -1.788 11.387 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.731 -2.826 11.787 1.00 1.00 C ATOM 1051 NE ARG A 71 -5.362 -3.905 12.580 1.00 1.00 N ATOM 1052 CZ ARG A 71 -4.777 -5.094 12.840 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.540 -5.366 12.373 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -5.433 -5.985 13.560 1.00 1.00 N ATOM 0 H ARG A 71 -3.075 -1.651 10.790 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.345 0.409 9.156 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.377 -0.752 9.591 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.178 -2.003 9.327 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.807 -0.988 12.127 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -6.769 -2.248 11.381 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -4.263 -3.244 10.896 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -3.941 -2.351 12.368 1.00 1.00 H new ATOM 0 HE ARG A 71 -6.297 -3.740 12.953 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.040 -4.671 11.819 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.106 -6.267 12.574 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -6.367 -5.770 13.910 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -5.006 -6.888 13.766 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.579 1.194 11.924 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.700 2.095 13.057 1.00 1.00 C ATOM 1066 C GLY A 72 -3.363 3.532 12.654 1.00 1.00 C ATOM 1067 O GLY A 72 -3.394 3.872 11.473 1.00 1.00 O ATOM 0 H GLY A 72 -2.624 0.914 11.702 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.715 2.053 13.453 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.033 1.772 13.856 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.048 4.336 13.659 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.706 5.728 13.425 1.00 1.00 C ATOM 1073 C GLU A 73 -1.214 5.862 13.109 1.00 1.00 C ATOM 1074 O GLU A 73 -0.380 5.835 14.013 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.093 6.598 14.622 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.598 6.874 14.635 1.00 1.00 C ATOM 1077 CD GLU A 73 -5.311 5.977 15.650 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -5.384 6.321 16.838 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -5.802 4.887 15.163 1.00 1.00 O ATOM 0 H GLU A 73 -3.023 4.049 14.638 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.274 6.081 12.564 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -2.803 6.100 15.547 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.547 7.541 14.583 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -4.777 7.921 14.880 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -5.011 6.704 13.641 1.00 1.00 H new ATOM 1087 N LEU A 74 -0.924 6.004 11.824 1.00 1.00 N ATOM 1088 CA LEU A 74 0.452 6.142 11.379 1.00 1.00 C ATOM 1089 C LEU A 74 0.691 7.580 10.914 1.00 1.00 C ATOM 1090 O LEU A 74 -0.235 8.389 10.886 1.00 1.00 O ATOM 1091 CB LEU A 74 0.780 5.090 10.317 1.00 1.00 C ATOM 1092 CG LEU A 74 0.548 3.633 10.723 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.675 2.701 9.516 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.485 3.226 11.862 1.00 1.00 C ATOM 0 H LEU A 74 -1.618 6.026 11.077 1.00 1.00 H new ATOM 0 HA LEU A 74 1.140 5.954 12.204 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.182 5.299 9.430 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.825 5.205 10.031 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.472 3.540 11.096 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.506 1.672 9.832 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.065 2.976 8.764 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.675 2.790 9.091 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.300 2.186 12.132 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.520 3.338 11.539 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.304 3.863 12.728 1.00 1.00 H new ATOM 1106 N LYS A 75 1.939 7.854 10.562 1.00 1.00 N ATOM 1107 CA LYS A 75 2.311 9.181 10.100 1.00 1.00 C ATOM 1108 C LYS A 75 1.415 9.577 8.925 1.00 1.00 C ATOM 1109 O LYS A 75 0.830 10.659 8.924 1.00 1.00 O ATOM 1110 CB LYS A 75 3.806 9.236 9.779 1.00 1.00 C ATOM 1111 CG LYS A 75 4.298 10.683 9.707 1.00 1.00 C ATOM 1112 CD LYS A 75 5.827 10.744 9.739 1.00 1.00 C ATOM 1113 CE LYS A 75 6.338 12.017 9.061 1.00 1.00 C ATOM 1114 NZ LYS A 75 6.328 13.151 10.012 1.00 1.00 N ATOM 0 H LYS A 75 2.705 7.181 10.587 1.00 1.00 H new ATOM 0 HA LYS A 75 2.150 9.918 10.887 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.366 8.695 10.542 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.996 8.736 8.830 1.00 1.00 H new ATOM 0 HG2 LYS A 75 3.931 11.151 8.794 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.890 11.252 10.543 1.00 1.00 H new ATOM 0 HD2 LYS A 75 6.174 10.713 10.772 1.00 1.00 H new ATOM 0 HD3 LYS A 75 6.240 9.869 9.237 1.00 1.00 H new ATOM 0 HE2 LYS A 75 7.350 11.856 8.688 1.00 1.00 H new ATOM 0 HE3 LYS A 75 5.714 12.252 8.199 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 6.678 14.007 9.536 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 5.357 13.314 10.348 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 6.942 12.930 10.822 1.00 1.00 H new ATOM 1127 N HIS A 76 1.336 8.680 7.953 1.00 1.00 N ATOM 1128 CA HIS A 76 0.521 8.923 6.775 1.00 1.00 C ATOM 1129 C HIS A 76 -0.734 8.050 6.831 1.00 1.00 C ATOM 1130 O HIS A 76 -1.324 7.872 7.895 1.00 1.00 O ATOM 1131 CB HIS A 76 1.336 8.710 5.498 1.00 1.00 C ATOM 1132 CG HIS A 76 2.786 9.112 5.620 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.929 8.416 5.356 1.00 1.00 N flip ATOM 1134 CD2 HIS A 76 3.183 10.363 6.060 1.00 1.00 C flip ATOM 1135 CE1 HIS A 76 4.968 9.200 5.619 1.00 1.00 C flip ATOM 1136 NE2 HIS A 76 4.507 10.407 6.056 1.00 1.00 N flip ATOM 0 H HIS A 76 1.823 7.784 7.957 1.00 1.00 H new ATOM 0 HA HIS A 76 0.197 9.964 6.760 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.284 7.658 5.217 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.879 9.279 4.688 1.00 1.00 H new ATOM 0 HD2 HIS A 76 2.525 11.167 6.356 1.00 1.00 H new ATOM 0 HE1 HIS A 76 6.007 8.927 5.506 1.00 1.00 H new ATOM 0 HE2 HIS A 76 5.081 11.204 6.331 1.00 1.00 H new ATOM 1144 N THR A 77 -1.105 7.529 5.670 1.00 1.00 N ATOM 1145 CA THR A 77 -2.280 6.679 5.573 1.00 1.00 C ATOM 1146 C THR A 77 -1.917 5.341 4.926 1.00 1.00 C ATOM 1147 O THR A 77 -1.725 5.265 3.714 1.00 1.00 O ATOM 1148 CB THR A 77 -3.359 7.450 4.811 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.368 8.735 5.426 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.764 6.902 5.072 1.00 1.00 C ATOM 0 H THR A 77 -0.613 7.679 4.789 1.00 1.00 H new ATOM 0 HA THR A 77 -2.673 6.432 6.559 1.00 1.00 H new ATOM 0 HB THR A 77 -3.147 7.411 3.743 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.040 9.301 4.991 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.492 7.484 4.508 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.812 5.859 4.758 1.00 1.00 H new ATOM 0 HG23 THR A 77 -4.990 6.972 6.136 1.00 1.00 H new ATOM 1158 N SER A 78 -1.836 4.318 5.764 1.00 1.00 N ATOM 1159 CA SER A 78 -1.500 2.986 5.289 1.00 1.00 C ATOM 1160 C SER A 78 -2.622 2.450 4.398 1.00 1.00 C ATOM 1161 O SER A 78 -3.717 3.009 4.370 1.00 1.00 O ATOM 1162 CB SER A 78 -1.248 2.031 6.458 1.00 1.00 C ATOM 1163 OG SER A 78 -1.407 2.677 7.718 1.00 1.00 O ATOM 0 H SER A 78 -1.997 4.384 6.769 1.00 1.00 H new ATOM 0 HA SER A 78 -0.582 3.053 4.706 1.00 1.00 H new ATOM 0 HB2 SER A 78 -1.937 1.189 6.393 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.239 1.625 6.383 1.00 1.00 H new ATOM 0 HG SER A 78 -1.924 2.100 8.318 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.310 1.373 3.691 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.279 0.756 2.802 1.00 1.00 C ATOM 1171 C CYS A 79 -4.468 0.283 3.640 1.00 1.00 C ATOM 1172 O CYS A 79 -5.574 0.804 3.503 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.658 -0.387 1.996 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.019 -0.015 1.273 1.00 1.00 S ATOM 0 H CYS A 79 -1.400 0.913 3.716 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.621 1.487 2.069 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.565 -1.260 2.642 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.341 -0.658 1.191 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.200 -0.697 4.489 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.235 -1.246 5.349 1.00 1.00 C ATOM 1181 C LEU A 80 -5.978 -0.100 6.040 1.00 1.00 C ATOM 1182 O LEU A 80 -7.117 -0.267 6.473 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.639 -2.266 6.321 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.745 -3.734 5.901 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.108 -4.315 6.280 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.444 -3.901 4.411 1.00 1.00 C ATOM 0 H LEU A 80 -3.281 -1.126 4.600 1.00 1.00 H new ATOM 0 HA LEU A 80 -5.970 -1.794 4.759 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.586 -2.026 6.468 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.131 -2.148 7.287 1.00 1.00 H new ATOM 0 HG LEU A 80 -3.991 -4.301 6.447 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.157 -5.359 5.971 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.244 -4.250 7.360 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.896 -3.751 5.780 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.526 -4.953 4.139 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.158 -3.319 3.828 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.433 -3.550 4.202 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.303 1.037 6.120 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.885 2.210 6.751 1.00 1.00 C ATOM 1200 C ALA A 81 -7.095 2.674 5.936 1.00 1.00 C ATOM 1201 O ALA A 81 -8.234 2.540 6.379 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.820 3.299 6.885 1.00 1.00 C ATOM 0 H ALA A 81 -4.359 1.171 5.759 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.235 1.972 7.755 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.257 4.179 7.358 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -3.996 2.929 7.496 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.447 3.566 5.896 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.805 3.210 4.760 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.854 3.694 3.879 1.00 1.00 C ATOM 1210 C CYS A 82 -8.907 2.593 3.735 1.00 1.00 C ATOM 1211 O CYS A 82 -10.063 2.773 4.112 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.298 4.132 2.523 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.655 4.736 1.454 1.00 1.00 S ATOM 0 H CYS A 82 -5.858 3.320 4.396 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.314 4.582 4.313 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.556 4.919 2.662 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.790 3.296 2.042 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.468 1.462 3.182 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.325 0.303 2.963 1.00 1.00 C ATOM 1220 C HIS A 83 -10.294 0.141 4.149 1.00 1.00 C ATOM 1221 O HIS A 83 -11.400 -0.370 3.978 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.442 -0.925 2.697 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.884 -1.072 1.300 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.547 -2.256 0.781 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.616 -0.137 0.329 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.086 -2.067 -0.466 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.108 -0.776 -0.795 1.00 1.00 N ATOM 0 H HIS A 83 -7.505 1.326 2.874 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.954 0.433 2.082 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.606 -0.900 3.396 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.023 -1.818 2.927 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.627 -3.156 1.254 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.775 0.927 0.425 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.743 -2.858 -1.117 1.00 1.00 H new ATOM 1235 N SER A 84 -9.844 0.585 5.313 1.00 1.00 N ATOM 1236 CA SER A 84 -10.658 0.494 6.514 1.00 1.00 C ATOM 1237 C SER A 84 -11.962 1.272 6.322 1.00 1.00 C ATOM 1238 O SER A 84 -13.045 0.749 6.579 1.00 1.00 O ATOM 1239 CB SER A 84 -9.901 1.021 7.734 1.00 1.00 C ATOM 1240 OG SER A 84 -10.084 2.423 7.912 1.00 1.00 O ATOM 0 H SER A 84 -8.926 1.009 5.451 1.00 1.00 H new ATOM 0 HA SER A 84 -10.891 -0.556 6.691 1.00 1.00 H new ATOM 0 HB2 SER A 84 -10.241 0.495 8.626 1.00 1.00 H new ATOM 0 HB3 SER A 84 -8.838 0.806 7.622 1.00 1.00 H new ATOM 0 HG SER A 84 -9.424 2.910 7.375 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.814 2.510 5.872 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.966 3.365 5.643 1.00 1.00 C ATOM 1248 C LYS A 85 -13.792 2.802 4.485 1.00 1.00 C ATOM 1249 O LYS A 85 -15.018 2.899 4.487 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.524 4.815 5.435 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.719 5.768 5.505 1.00 1.00 C ATOM 1252 CD LYS A 85 -13.630 6.670 6.738 1.00 1.00 C ATOM 1253 CE LYS A 85 -14.480 7.930 6.558 1.00 1.00 C ATOM 1254 NZ LYS A 85 -14.263 8.866 7.684 1.00 1.00 N ATOM 0 H LYS A 85 -10.914 2.941 5.660 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.613 3.376 6.520 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.792 5.088 6.195 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.032 4.914 4.467 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -13.754 6.380 4.604 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.645 5.194 5.536 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -13.967 6.123 7.618 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -12.591 6.950 6.914 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -14.224 8.418 5.617 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -15.534 7.660 6.500 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -14.847 9.716 7.547 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -14.530 8.403 8.576 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -13.260 9.138 7.721 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.087 2.225 3.523 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.739 1.646 2.361 1.00 1.00 C ATOM 1269 C VAL A 86 -14.689 0.535 2.815 1.00 1.00 C ATOM 1270 O VAL A 86 -15.853 0.509 2.420 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.690 1.162 1.358 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.348 0.441 0.180 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.819 2.323 0.873 1.00 1.00 C ATOM 0 H VAL A 86 -12.070 2.146 3.525 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.339 2.397 1.847 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.044 0.448 1.868 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.580 0.108 -0.518 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.905 -0.422 0.546 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.029 1.123 -0.329 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.082 1.952 0.161 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.447 3.071 0.389 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.307 2.774 1.723 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.156 -0.355 3.639 1.00 1.00 N ATOM 1284 CA VAL A 87 -14.941 -1.465 4.151 1.00 1.00 C ATOM 1285 C VAL A 87 -16.203 -0.923 4.825 1.00 1.00 C ATOM 1286 O VAL A 87 -17.175 -1.654 5.009 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.086 -2.323 5.086 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -14.964 -3.201 5.980 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.089 -3.171 4.293 1.00 1.00 C ATOM 0 H VAL A 87 -13.190 -0.330 3.965 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.261 -2.115 3.336 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.517 -1.652 5.730 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.332 -3.801 6.635 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.615 -2.569 6.584 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.571 -3.860 5.359 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.494 -3.771 4.981 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.631 -3.829 3.613 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.431 -2.518 3.719 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.147 0.354 5.174 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.274 1.002 5.824 1.00 1.00 C ATOM 1301 C ALA A 88 -18.246 1.513 4.758 1.00 1.00 C ATOM 1302 O ALA A 88 -19.163 2.274 5.063 1.00 1.00 O ATOM 1303 CB ALA A 88 -16.765 2.121 6.734 1.00 1.00 C ATOM 0 H ALA A 88 -15.339 0.957 5.019 1.00 1.00 H new ATOM 0 HA ALA A 88 -17.815 0.294 6.451 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -17.610 2.607 7.221 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.102 1.701 7.491 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.219 2.854 6.139 1.00 1.00 H new ATOM 1309 N GLU A 89 -18.012 1.075 3.530 1.00 1.00 N ATOM 1310 CA GLU A 89 -18.855 1.479 2.418 1.00 1.00 C ATOM 1311 C GLU A 89 -19.392 0.248 1.684 1.00 1.00 C ATOM 1312 O GLU A 89 -20.576 0.182 1.359 1.00 1.00 O ATOM 1313 CB GLU A 89 -18.096 2.400 1.461 1.00 1.00 C ATOM 1314 CG GLU A 89 -18.982 3.558 0.997 1.00 1.00 C ATOM 1315 CD GLU A 89 -18.791 4.786 1.890 1.00 1.00 C ATOM 1316 OE1 GLU A 89 -18.227 4.672 2.988 1.00 1.00 O ATOM 1317 OE2 GLU A 89 -19.252 5.889 1.406 1.00 1.00 O ATOM 0 H GLU A 89 -17.250 0.444 3.281 1.00 1.00 H new ATOM 0 HA GLU A 89 -19.702 2.039 2.814 1.00 1.00 H new ATOM 0 HB2 GLU A 89 -17.208 2.793 1.956 1.00 1.00 H new ATOM 0 HB3 GLU A 89 -17.754 1.830 0.597 1.00 1.00 H new ATOM 0 HG2 GLU A 89 -18.742 3.813 -0.035 1.00 1.00 H new ATOM 0 HG3 GLU A 89 -20.028 3.250 1.014 1.00 1.00 H new ATOM 1325 N LYS A 90 -18.494 -0.697 1.446 1.00 1.00 N ATOM 1326 CA LYS A 90 -18.863 -1.922 0.757 1.00 1.00 C ATOM 1327 C LYS A 90 -18.531 -3.122 1.646 1.00 1.00 C ATOM 1328 O LYS A 90 -17.562 -3.847 1.429 1.00 1.00 O ATOM 1329 CB LYS A 90 -18.206 -1.979 -0.624 1.00 1.00 C ATOM 1330 CG LYS A 90 -19.204 -2.443 -1.687 1.00 1.00 C ATOM 1331 CD LYS A 90 -19.469 -1.337 -2.710 1.00 1.00 C ATOM 1332 CE LYS A 90 -20.431 -1.817 -3.799 1.00 1.00 C ATOM 1333 NZ LYS A 90 -21.084 -0.664 -4.458 1.00 1.00 N ATOM 0 H LYS A 90 -17.513 -0.639 1.718 1.00 1.00 H new ATOM 0 HA LYS A 90 -19.937 -1.948 0.575 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -17.820 -0.994 -0.888 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -17.355 -2.659 -0.598 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -18.816 -3.327 -2.194 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -20.140 -2.734 -1.210 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -19.888 -0.465 -2.208 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -18.529 -1.023 -3.163 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -19.888 -2.406 -4.538 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -21.187 -2.470 -3.363 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -21.733 -1.007 -5.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -21.618 -0.118 -3.752 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -20.360 -0.056 -4.891 1.00 1.00 H new ATOM 1346 N PRO A 91 -19.369 -3.318 2.666 1.00 1.00 N ATOM 1347 CA PRO A 91 -19.245 -4.391 3.629 1.00 1.00 C ATOM 1348 C PRO A 91 -18.955 -5.697 2.904 1.00 1.00 C ATOM 1349 O PRO A 91 -18.409 -6.610 3.521 1.00 1.00 O ATOM 1350 CB PRO A 91 -20.600 -4.444 4.332 1.00 1.00 C ATOM 1351 CG PRO A 91 -21.131 -3.079 4.216 1.00 1.00 C ATOM 1352 CD PRO A 91 -20.518 -2.485 2.951 1.00 1.00 C ATOM 0 HA PRO A 91 -18.432 -4.234 4.338 1.00 1.00 H new ATOM 0 HB2 PRO A 91 -21.263 -5.169 3.860 1.00 1.00 H new ATOM 0 HB3 PRO A 91 -20.494 -4.741 5.375 1.00 1.00 H new ATOM 0 HG2 PRO A 91 -22.219 -3.090 4.152 1.00 1.00 H new ATOM 0 HG3 PRO A 91 -20.869 -2.484 5.091 1.00 1.00 H new ATOM 0 HD2 PRO A 91 -21.229 -2.497 2.125 1.00 1.00 H new ATOM 0 HD3 PRO A 91 -20.225 -1.447 3.104 1.00 1.00 H new ATOM 1360 N GLU A 92 -19.318 -5.763 1.631 1.00 1.00 N ATOM 1361 CA GLU A 92 -19.088 -6.965 0.849 1.00 1.00 C ATOM 1362 C GLU A 92 -17.670 -6.961 0.275 1.00 1.00 C ATOM 1363 O GLU A 92 -17.384 -7.671 -0.688 1.00 1.00 O ATOM 1364 CB GLU A 92 -20.129 -7.103 -0.264 1.00 1.00 C ATOM 1365 CG GLU A 92 -20.006 -5.961 -1.275 1.00 1.00 C ATOM 1366 CD GLU A 92 -21.385 -5.508 -1.760 1.00 1.00 C ATOM 1367 OE1 GLU A 92 -21.841 -5.945 -2.827 1.00 1.00 O ATOM 1368 OE2 GLU A 92 -21.988 -4.672 -0.985 1.00 1.00 O ATOM 0 H GLU A 92 -19.770 -5.003 1.122 1.00 1.00 H new ATOM 0 HA GLU A 92 -19.191 -7.828 1.507 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -19.999 -8.059 -0.772 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -21.130 -7.105 0.168 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -19.483 -5.121 -0.818 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -19.406 -6.286 -2.125 1.00 1.00 H new ATOM 1376 N LEU A 93 -16.819 -6.154 0.891 1.00 1.00 N ATOM 1377 CA LEU A 93 -15.437 -6.048 0.453 1.00 1.00 C ATOM 1378 C LEU A 93 -14.511 -6.202 1.661 1.00 1.00 C ATOM 1379 O LEU A 93 -13.323 -5.892 1.581 1.00 1.00 O ATOM 1380 CB LEU A 93 -15.220 -4.750 -0.327 1.00 1.00 C ATOM 1381 CG LEU A 93 -15.144 -4.887 -1.849 1.00 1.00 C ATOM 1382 CD1 LEU A 93 -16.530 -5.137 -2.446 1.00 1.00 C ATOM 1383 CD2 LEU A 93 -14.461 -3.670 -2.475 1.00 1.00 C ATOM 0 H LEU A 93 -17.059 -5.567 1.690 1.00 1.00 H new ATOM 0 HA LEU A 93 -15.194 -6.853 -0.240 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -16.031 -4.063 -0.084 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -14.296 -4.289 0.023 1.00 1.00 H new ATOM 0 HG LEU A 93 -14.530 -5.757 -2.084 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -16.448 -5.231 -3.529 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -16.944 -6.057 -2.032 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -17.187 -4.302 -2.203 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -14.420 -3.793 -3.557 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -15.027 -2.771 -2.233 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -13.449 -3.578 -2.081 1.00 1.00 H new ATOM 1395 N LYS A 94 -15.089 -6.681 2.753 1.00 1.00 N ATOM 1396 CA LYS A 94 -14.331 -6.880 3.976 1.00 1.00 C ATOM 1397 C LYS A 94 -13.153 -7.816 3.695 1.00 1.00 C ATOM 1398 O LYS A 94 -12.002 -7.462 3.941 1.00 1.00 O ATOM 1399 CB LYS A 94 -15.247 -7.365 5.102 1.00 1.00 C ATOM 1400 CG LYS A 94 -14.600 -7.139 6.470 1.00 1.00 C ATOM 1401 CD LYS A 94 -14.528 -8.445 7.264 1.00 1.00 C ATOM 1402 CE LYS A 94 -14.760 -8.193 8.755 1.00 1.00 C ATOM 1403 NZ LYS A 94 -13.471 -8.002 9.456 1.00 1.00 N ATOM 0 H LYS A 94 -16.074 -6.937 2.816 1.00 1.00 H new ATOM 0 HA LYS A 94 -13.912 -5.935 4.322 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -16.199 -6.837 5.054 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -15.464 -8.425 4.969 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -13.597 -6.733 6.339 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -15.173 -6.400 7.030 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -15.275 -9.144 6.889 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -13.553 -8.911 7.117 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -15.387 -7.311 8.887 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -15.297 -9.034 9.193 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -13.647 -7.832 10.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -12.886 -8.855 9.345 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -12.973 -7.185 9.049 1.00 1.00 H new ATOM 1416 N LYS A 95 -13.483 -8.992 3.182 1.00 1.00 N ATOM 1417 CA LYS A 95 -12.468 -9.981 2.864 1.00 1.00 C ATOM 1418 C LYS A 95 -12.001 -9.781 1.421 1.00 1.00 C ATOM 1419 O LYS A 95 -11.696 -10.747 0.724 1.00 1.00 O ATOM 1420 CB LYS A 95 -12.985 -11.392 3.153 1.00 1.00 C ATOM 1421 CG LYS A 95 -12.644 -11.819 4.582 1.00 1.00 C ATOM 1422 CD LYS A 95 -13.272 -13.175 4.913 1.00 1.00 C ATOM 1423 CE LYS A 95 -14.771 -13.033 5.184 1.00 1.00 C ATOM 1424 NZ LYS A 95 -15.124 -13.648 6.483 1.00 1.00 N ATOM 0 H LYS A 95 -14.440 -9.282 2.979 1.00 1.00 H new ATOM 0 HA LYS A 95 -11.595 -9.849 3.503 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -14.065 -11.424 3.008 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -12.547 -12.096 2.445 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -11.562 -11.877 4.700 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -13.002 -11.067 5.285 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -13.112 -13.866 4.085 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -12.780 -13.604 5.786 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -15.048 -11.979 5.187 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -15.338 -13.509 4.384 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -16.145 -13.543 6.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -14.878 -14.658 6.467 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -14.597 -13.176 7.245 1.00 1.00 H new ATOM 1437 N ASP A 96 -11.958 -8.520 1.016 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.533 -8.181 -0.331 1.00 1.00 C ATOM 1439 C ASP A 96 -10.476 -7.077 -0.265 1.00 1.00 C ATOM 1440 O ASP A 96 -9.442 -7.162 -0.925 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.707 -7.662 -1.165 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.722 -8.130 -2.621 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -11.719 -8.644 -3.138 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -13.838 -7.945 -3.242 1.00 1.00 O ATOM 0 H ASP A 96 -12.211 -7.721 1.597 1.00 1.00 H new ATOM 0 HA ASP A 96 -11.132 -9.082 -0.795 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.637 -7.974 -0.689 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.691 -6.572 -1.149 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.773 -6.065 0.538 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.861 -4.945 0.699 1.00 1.00 C ATOM 1452 C LEU A 97 -9.101 -5.098 2.018 1.00 1.00 C ATOM 1453 O LEU A 97 -8.078 -4.447 2.228 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.613 -3.619 0.572 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.432 -3.432 -0.707 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.625 -1.947 -1.022 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.800 -4.188 -1.878 1.00 1.00 C ATOM 0 H LEU A 97 -11.632 -5.998 1.084 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.118 -4.940 -0.099 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.283 -3.521 1.426 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.890 -2.806 0.639 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.422 -3.859 -0.544 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.210 -1.842 -1.936 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.150 -1.465 -0.197 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.652 -1.474 -1.158 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.402 -4.039 -2.775 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.791 -3.813 -2.051 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.756 -5.252 -1.643 1.00 1.00 H new ATOM 1469 N THR A 98 -9.630 -5.961 2.873 1.00 1.00 N ATOM 1470 CA THR A 98 -9.015 -6.207 4.166 1.00 1.00 C ATOM 1471 C THR A 98 -9.046 -7.701 4.496 1.00 1.00 C ATOM 1472 O THR A 98 -9.319 -8.083 5.632 1.00 1.00 O ATOM 1473 CB THR A 98 -9.732 -5.340 5.203 1.00 1.00 C ATOM 1474 OG1 THR A 98 -10.825 -6.147 5.634 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.398 -4.112 4.580 1.00 1.00 C ATOM 0 H THR A 98 -10.478 -6.499 2.695 1.00 1.00 H new ATOM 0 HA THR A 98 -7.961 -5.929 4.162 1.00 1.00 H new ATOM 0 HB THR A 98 -9.020 -5.020 5.963 1.00 1.00 H new ATOM 0 HG1 THR A 98 -11.423 -6.320 4.877 1.00 1.00 H new ATOM 0 HG21 THR A 98 -10.892 -3.532 5.359 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.642 -3.496 4.093 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.135 -4.432 3.843 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.762 -8.504 3.481 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.754 -9.947 3.649 1.00 1.00 C ATOM 1485 C GLY A 99 -7.323 -10.485 3.703 1.00 1.00 C ATOM 1486 O GLY A 99 -6.515 -10.201 2.820 1.00 1.00 O ATOM 0 H GLY A 99 -8.536 -8.183 2.540 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.281 -10.213 4.565 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.292 -10.416 2.825 1.00 1.00 H new ATOM 1490 N CYS A 100 -7.052 -11.252 4.749 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.732 -11.832 4.930 1.00 1.00 C ATOM 1492 C CYS A 100 -5.520 -12.892 3.847 1.00 1.00 C ATOM 1493 O CYS A 100 -4.388 -13.155 3.444 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.555 -12.409 6.336 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.689 -11.186 7.690 1.00 1.00 S ATOM 0 H CYS A 100 -7.724 -11.485 5.480 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.974 -11.055 4.830 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -6.304 -13.186 6.492 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.579 -12.891 6.396 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.627 -13.471 3.407 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.577 -14.497 2.379 1.00 1.00 C ATOM 1502 C ALA A 101 -7.858 -14.438 1.543 1.00 1.00 C ATOM 1503 O ALA A 101 -8.783 -13.697 1.871 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.369 -15.865 3.031 1.00 1.00 C ATOM 0 H ALA A 101 -7.564 -13.249 3.743 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.736 -14.326 1.707 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.332 -16.634 2.259 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.432 -15.864 3.588 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.195 -16.073 3.711 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.870 -15.229 0.480 1.00 1.00 N ATOM 1511 CA LYS A 102 -9.021 -15.276 -0.405 1.00 1.00 C ATOM 1512 C LYS A 102 -9.528 -13.854 -0.652 1.00 1.00 C ATOM 1513 O LYS A 102 -10.733 -13.608 -0.636 1.00 1.00 O ATOM 1514 CB LYS A 102 -10.088 -16.220 0.154 1.00 1.00 C ATOM 1515 CG LYS A 102 -10.116 -17.537 -0.624 1.00 1.00 C ATOM 1516 CD LYS A 102 -10.648 -18.677 0.247 1.00 1.00 C ATOM 1517 CE LYS A 102 -9.828 -19.952 0.042 1.00 1.00 C ATOM 1518 NZ LYS A 102 -9.192 -20.369 1.311 1.00 1.00 N ATOM 0 H LYS A 102 -7.101 -15.843 0.212 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.739 -15.687 -1.374 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.887 -16.419 1.207 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -11.066 -15.741 0.101 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -10.743 -17.428 -1.509 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -9.112 -17.779 -0.973 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -10.615 -18.384 1.296 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -11.693 -18.869 0.003 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -10.472 -20.750 -0.328 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -9.063 -19.782 -0.716 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -8.639 -21.236 1.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -8.562 -19.613 1.648 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -9.927 -20.551 2.024 1.00 1.00 H new ATOM 1531 N SER A 103 -8.582 -12.953 -0.874 1.00 1.00 N ATOM 1532 CA SER A 103 -8.917 -11.562 -1.125 1.00 1.00 C ATOM 1533 C SER A 103 -8.323 -11.112 -2.461 1.00 1.00 C ATOM 1534 O SER A 103 -8.111 -11.929 -3.356 1.00 1.00 O ATOM 1535 CB SER A 103 -8.417 -10.662 0.008 1.00 1.00 C ATOM 1536 OG SER A 103 -7.046 -10.309 -0.158 1.00 1.00 O ATOM 0 H SER A 103 -7.583 -13.160 -0.885 1.00 1.00 H new ATOM 0 HA SER A 103 -10.003 -11.475 -1.170 1.00 1.00 H new ATOM 0 HB2 SER A 103 -9.023 -9.757 0.046 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.547 -11.173 0.962 1.00 1.00 H new ATOM 0 HG SER A 103 -6.629 -10.192 0.721 1.00 1.00 H new ATOM 1542 N LYS A 104 -8.071 -9.815 -2.554 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.506 -9.247 -3.766 1.00 1.00 C ATOM 1544 C LYS A 104 -6.052 -8.848 -3.507 1.00 1.00 C ATOM 1545 O LYS A 104 -5.468 -8.085 -4.275 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.377 -8.098 -4.277 1.00 1.00 C ATOM 1547 CG LYS A 104 -8.198 -7.902 -5.784 1.00 1.00 C ATOM 1548 CD LYS A 104 -9.051 -8.898 -6.572 1.00 1.00 C ATOM 1549 CE LYS A 104 -9.170 -8.477 -8.038 1.00 1.00 C ATOM 1550 NZ LYS A 104 -10.341 -7.592 -8.230 1.00 1.00 N ATOM 0 H LYS A 104 -8.248 -9.141 -1.809 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.497 -9.988 -4.565 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -9.424 -8.304 -4.055 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -8.116 -7.178 -3.754 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -8.476 -6.884 -6.057 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -7.148 -8.028 -6.048 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -8.607 -9.892 -6.510 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -10.044 -8.964 -6.127 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -8.262 -7.961 -8.349 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -9.267 -9.360 -8.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -10.212 -7.027 -9.094 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.201 -8.169 -8.319 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -10.434 -6.957 -7.412 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.509 -9.382 -2.423 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.134 -9.092 -2.054 1.00 1.00 C ATOM 1565 C CYS A 105 -3.409 -10.418 -1.819 1.00 1.00 C ATOM 1566 O CYS A 105 -2.353 -10.670 -2.396 1.00 1.00 O ATOM 1567 CB CYS A 105 -4.059 -8.176 -0.830 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.527 -6.499 -1.335 1.00 1.00 S ATOM 0 H CYS A 105 -5.997 -10.014 -1.788 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.644 -8.550 -2.863 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -5.033 -8.126 -0.343 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.358 -8.585 -0.102 1.00 1.00 H new ATOM 1573 N HIS A 106 -4.009 -11.245 -0.962 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.467 -12.553 -0.613 1.00 1.00 C ATOM 1575 C HIS A 106 -4.409 -13.659 -1.122 1.00 1.00 C ATOM 1576 O HIS A 106 -4.981 -14.427 -0.352 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.203 -12.595 0.900 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.141 -11.660 1.430 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.875 -11.691 1.000 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.199 -10.663 2.374 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.173 -10.751 1.651 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.942 -10.087 2.512 1.00 1.00 N ATOM 0 H HIS A 106 -4.886 -11.024 -0.491 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.509 -12.731 -1.102 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.138 -12.374 1.415 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.924 -13.614 1.169 1.00 1.00 H new ATOM 0 HD1 HIS A 106 -0.504 -12.325 0.293 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.083 -10.373 2.923 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.878 -10.558 1.497 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.554 -13.720 -2.448 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.388 -14.683 -3.134 1.00 1.00 C ATOM 1592 C PRO A 107 -4.867 -16.089 -2.871 1.00 1.00 C ATOM 1593 O PRO A 107 -5.456 -17.067 -3.327 1.00 1.00 O ATOM 1594 CB PRO A 107 -5.268 -14.323 -4.613 1.00 1.00 C ATOM 1595 CG PRO A 107 -4.009 -13.533 -4.736 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.896 -12.833 -3.383 1.00 1.00 C ATOM 0 HA PRO A 107 -6.425 -14.660 -2.799 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -5.230 -15.219 -5.232 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -6.128 -13.742 -4.946 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.149 -14.175 -4.929 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.063 -12.817 -5.556 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.854 -12.672 -3.108 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -4.376 -11.854 -3.403 1.00 1.00 H new TER 1604 PRO A 107 HETATM 1605 CHA HEM A 233 4.639 2.951 -7.694 1.00 1.00 C HETATM 1606 CHB HEM A 233 3.063 6.923 -10.032 1.00 1.00 C HETATM 1607 CHC HEM A 233 -0.784 7.159 -7.054 1.00 1.00 C HETATM 1608 CHD HEM A 233 0.622 2.974 -4.940 1.00 1.00 C HETATM 1609 C1A HEM A 233 4.535 4.016 -8.583 1.00 1.00 C HETATM 1610 C2A HEM A 233 5.493 4.298 -9.627 1.00 1.00 C HETATM 1611 C3A HEM A 233 5.059 5.398 -10.277 1.00 1.00 C HETATM 1612 C4A HEM A 233 3.828 5.809 -9.642 1.00 1.00 C HETATM 1613 CMA HEM A 233 5.699 6.097 -11.441 1.00 1.00 C HETATM 1614 CAA HEM A 233 6.727 3.490 -9.901 1.00 1.00 C HETATM 1615 CBA HEM A 233 6.542 2.415 -10.968 1.00 1.00 C HETATM 1616 CGA HEM A 233 7.301 2.767 -12.239 1.00 1.00 C HETATM 1617 O1A HEM A 233 6.776 3.609 -12.999 1.00 1.00 O HETATM 1618 O2A HEM A 233 8.393 2.189 -12.426 1.00 1.00 O HETATM 1619 C1B HEM A 233 1.902 7.345 -9.393 1.00 1.00 C HETATM 1620 C2B HEM A 233 1.195 8.562 -9.714 1.00 1.00 C HETATM 1621 C3B HEM A 233 0.128 8.631 -8.890 1.00 1.00 C HETATM 1622 C4B HEM A 233 0.163 7.456 -8.051 1.00 1.00 C HETATM 1623 CMB HEM A 233 1.607 9.540 -10.775 1.00 1.00 C HETATM 1624 CAB HEM A 233 -0.920 9.703 -8.823 1.00 1.00 C HETATM 1625 CBB HEM A 233 -1.625 9.965 -10.151 1.00 1.00 C HETATM 1626 C1C HEM A 233 -0.754 6.009 -6.210 1.00 1.00 C HETATM 1627 C2C HEM A 233 -1.665 5.749 -5.120 1.00 1.00 C HETATM 1628 C3C HEM A 233 -1.261 4.604 -4.530 1.00 1.00 C HETATM 1629 C4C HEM A 233 -0.097 4.143 -5.250 1.00 1.00 C HETATM 1630 CMC HEM A 233 -2.830 6.619 -4.748 1.00 1.00 C HETATM 1631 CAC HEM A 233 -1.873 3.906 -3.351 1.00 1.00 C HETATM 1632 CBC HEM A 233 -3.379 3.689 -3.471 1.00 1.00 C HETATM 1633 C1D HEM A 233 1.858 2.641 -5.483 1.00 1.00 C HETATM 1634 C2D HEM A 233 2.678 1.545 -5.023 1.00 1.00 C HETATM 1635 C3D HEM A 233 3.793 1.536 -5.784 1.00 1.00 C HETATM 1636 C4D HEM A 233 3.674 2.626 -6.723 1.00 1.00 C HETATM 1637 CMD HEM A 233 2.317 0.615 -3.901 1.00 1.00 C HETATM 1638 CAD HEM A 233 4.958 0.593 -5.706 1.00 1.00 C HETATM 1639 CBD HEM A 233 4.678 -0.674 -4.902 1.00 1.00 C HETATM 1640 CGD HEM A 233 5.873 -1.615 -4.930 1.00 1.00 C HETATM 1641 O1D HEM A 233 6.527 -1.735 -3.871 1.00 1.00 O HETATM 1642 O2D HEM A 233 6.112 -2.198 -6.010 1.00 1.00 O HETATM 1643 NA HEM A 233 3.515 4.951 -8.602 1.00 1.00 N HETATM 1644 NB HEM A 233 1.259 6.672 -8.368 1.00 1.00 N HETATM 1645 NC HEM A 233 0.206 5.015 -6.281 1.00 1.00 N HETATM 1646 ND HEM A 233 2.480 3.299 -6.529 1.00 1.00 N HETATM 1647 FE HEM A 233 1.821 5.028 -7.379 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 6.780 5.966 -11.395 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 5.461 7.160 -11.403 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 5.322 5.674 -12.372 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 2.691 9.522 -10.885 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 1.288 10.542 -10.490 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 1.142 9.267 -11.722 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -2.608 7.654 -5.006 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -3.013 6.544 -3.676 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -3.717 6.292 -5.291 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 1.696 1.142 -3.177 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 3.226 0.264 -3.412 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 1.766 -0.238 -4.298 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -2.404 10.724 -10.214 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -1.349 9.393 -11.037 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -3.923 3.191 -2.669 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -3.910 4.032 -4.359 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 5.482 2.301 -11.194 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 6.891 1.456 -10.586 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 7.051 3.016 -8.975 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 7.527 4.162 -10.212 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 3.803 -1.180 -5.309 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 4.443 -0.410 -3.871 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 5.805 1.114 -5.260 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 5.253 0.312 -6.717 1.00 1.00 H new HETATM 0 HHA HEM A 233 5.521 2.331 -7.753 1.00 1.00 H new HETATM 0 HHB HEM A 233 3.401 7.490 -10.887 1.00 1.00 H new HETATM 0 HHC HEM A 233 -1.597 7.856 -6.917 1.00 1.00 H new HETATM 0 HHD HEM A 233 0.183 2.288 -4.231 1.00 1.00 H new HETATM 0 HAB HEM A 233 -1.157 10.246 -7.908 1.00 1.00 H new HETATM 0 HAC HEM A 233 -1.294 3.583 -2.486 1.00 1.00 H new HETATM 1648 CHA HEM A 251 7.300 6.699 6.844 1.00 1.00 C HETATM 1649 CHB HEM A 251 4.480 4.301 3.678 1.00 1.00 C HETATM 1650 CHC HEM A 251 7.777 5.021 0.167 1.00 1.00 C HETATM 1651 CHD HEM A 251 10.633 7.388 3.359 1.00 1.00 C HETATM 1652 C1A HEM A 251 6.243 5.997 6.272 1.00 1.00 C HETATM 1653 C2A HEM A 251 5.037 5.630 6.977 1.00 1.00 C HETATM 1654 C3A HEM A 251 4.254 4.965 6.102 1.00 1.00 C HETATM 1655 C4A HEM A 251 4.966 4.914 4.847 1.00 1.00 C HETATM 1656 CMA HEM A 251 2.895 4.375 6.343 1.00 1.00 C HETATM 1657 CAA HEM A 251 4.752 5.950 8.415 1.00 1.00 C HETATM 1658 CBA HEM A 251 5.581 5.140 9.408 1.00 1.00 C HETATM 1659 CGA HEM A 251 4.708 4.163 10.182 1.00 1.00 C HETATM 1660 O1A HEM A 251 4.415 3.089 9.613 1.00 1.00 O HETATM 1661 O2A HEM A 251 4.349 4.508 11.329 1.00 1.00 O HETATM 1662 C1B HEM A 251 5.171 4.241 2.473 1.00 1.00 C HETATM 1663 C2B HEM A 251 4.759 3.447 1.340 1.00 1.00 C HETATM 1664 C3B HEM A 251 5.671 3.644 0.364 1.00 1.00 C HETATM 1665 C4B HEM A 251 6.657 4.563 0.884 1.00 1.00 C HETATM 1666 CMB HEM A 251 3.537 2.577 1.299 1.00 1.00 C HETATM 1667 CAB HEM A 251 5.697 3.045 -1.012 1.00 1.00 C HETATM 1668 CBB HEM A 251 4.402 3.234 -1.795 1.00 1.00 C HETATM 1669 C1C HEM A 251 8.845 5.770 0.732 1.00 1.00 C HETATM 1670 C2C HEM A 251 10.128 5.955 0.096 1.00 1.00 C HETATM 1671 C3C HEM A 251 10.930 6.571 0.991 1.00 1.00 C HETATM 1672 C4C HEM A 251 10.151 6.773 2.190 1.00 1.00 C HETATM 1673 CMC HEM A 251 10.463 5.526 -1.303 1.00 1.00 C HETATM 1674 CAC HEM A 251 12.362 6.985 0.817 1.00 1.00 C HETATM 1675 CBC HEM A 251 12.554 8.187 -0.103 1.00 1.00 C HETATM 1676 C1D HEM A 251 9.976 7.374 4.586 1.00 1.00 C HETATM 1677 C2D HEM A 251 10.534 7.896 5.811 1.00 1.00 C HETATM 1678 C3D HEM A 251 9.613 7.706 6.779 1.00 1.00 C HETATM 1679 C4D HEM A 251 8.475 7.065 6.163 1.00 1.00 C HETATM 1680 CMD HEM A 251 11.891 8.524 5.938 1.00 1.00 C HETATM 1681 CAD HEM A 251 9.708 8.075 8.231 1.00 1.00 C HETATM 1682 CBD HEM A 251 8.496 8.837 8.758 1.00 1.00 C HETATM 1683 CGD HEM A 251 7.889 8.134 9.964 1.00 1.00 C HETATM 1684 O1D HEM A 251 7.354 8.857 10.833 1.00 1.00 O HETATM 1685 O2D HEM A 251 7.970 6.887 9.994 1.00 1.00 O HETATM 1686 NA HEM A 251 6.189 5.552 4.963 1.00 1.00 N HETATM 1687 NB HEM A 251 6.339 4.924 2.182 1.00 1.00 N HETATM 1688 NC HEM A 251 8.870 6.277 2.020 1.00 1.00 N HETATM 1689 ND HEM A 251 8.710 6.865 4.813 1.00 1.00 N HETATM 1690 FE HEM A 251 7.519 5.847 3.522 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 2.810 4.071 7.386 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 2.756 3.506 5.699 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 2.130 5.119 6.118 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 3.161 2.525 0.277 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 2.768 2.998 1.947 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 3.792 1.575 1.643 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 11.216 6.196 -1.718 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 9.565 5.563 -1.920 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 10.851 4.508 -1.288 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 12.566 8.084 5.204 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 12.281 8.348 6.941 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 11.813 9.597 5.762 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 4.314 2.837 -2.806 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 3.565 3.766 -1.343 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 13.556 8.570 -0.298 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 11.689 8.663 -0.566 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.082 5.814 10.103 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.360 4.594 8.876 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 3.694 5.775 8.613 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 4.937 7.011 8.584 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 7.748 8.926 7.970 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 8.791 9.850 9.034 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 10.600 8.682 8.383 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 9.837 7.166 8.819 1.00 1.00 H new HETATM 0 HHA HEM A 251 7.212 6.982 7.882 1.00 1.00 H new HETATM 0 HHB HEM A 251 3.502 3.845 3.719 1.00 1.00 H new HETATM 0 HHC HEM A 251 7.829 4.787 -0.886 1.00 1.00 H new HETATM 0 HHD HEM A 251 11.578 7.907 3.301 1.00 1.00 H new HETATM 0 HAB HEM A 251 6.564 2.522 -1.416 1.00 1.00 H new HETATM 0 HAC HEM A 251 13.191 6.472 1.305 1.00 1.00 H new HETATM 1691 CHA HEM A 282 -9.019 -1.562 -4.257 1.00 1.00 C HETATM 1692 CHB HEM A 282 -4.426 -2.633 -3.041 1.00 1.00 C HETATM 1693 CHC HEM A 282 -3.995 1.667 -0.794 1.00 1.00 C HETATM 1694 CHD HEM A 282 -8.684 2.664 -1.857 1.00 1.00 C HETATM 1695 C1A HEM A 282 -7.781 -2.188 -4.166 1.00 1.00 C HETATM 1696 C2A HEM A 282 -7.431 -3.401 -4.868 1.00 1.00 C HETATM 1697 C3A HEM A 282 -6.159 -3.701 -4.533 1.00 1.00 C HETATM 1698 C4A HEM A 282 -5.707 -2.677 -3.621 1.00 1.00 C HETATM 1699 CMA HEM A 282 -5.331 -4.865 -4.996 1.00 1.00 C HETATM 1700 CAA HEM A 282 -8.347 -4.154 -5.789 1.00 1.00 C HETATM 1701 CBA HEM A 282 -9.611 -4.679 -5.115 1.00 1.00 C HETATM 1702 CGA HEM A 282 -10.790 -4.668 -6.077 1.00 1.00 C HETATM 1703 O1A HEM A 282 -11.219 -5.777 -6.462 1.00 1.00 O HETATM 1704 O2A HEM A 282 -11.240 -3.550 -6.411 1.00 1.00 O HETATM 1705 C1B HEM A 282 -3.916 -1.548 -2.335 1.00 1.00 C HETATM 1706 C2B HEM A 282 -2.566 -1.471 -1.830 1.00 1.00 C HETATM 1707 C3B HEM A 282 -2.443 -0.280 -1.206 1.00 1.00 C HETATM 1708 C4B HEM A 282 -3.716 0.392 -1.319 1.00 1.00 C HETATM 1709 CMB HEM A 282 -1.526 -2.541 -1.991 1.00 1.00 C HETATM 1710 CAB HEM A 282 -1.235 0.280 -0.514 1.00 1.00 C HETATM 1711 CBB HEM A 282 0.070 0.072 -1.277 1.00 1.00 C HETATM 1712 C1C HEM A 282 -5.269 2.322 -0.889 1.00 1.00 C HETATM 1713 C2C HEM A 282 -5.601 3.564 -0.232 1.00 1.00 C HETATM 1714 C3C HEM A 282 -6.893 3.829 -0.514 1.00 1.00 C HETATM 1715 C4C HEM A 282 -7.375 2.754 -1.349 1.00 1.00 C HETATM 1716 CMC HEM A 282 -4.651 4.376 0.600 1.00 1.00 C HETATM 1717 CAC HEM A 282 -7.714 5.004 -0.068 1.00 1.00 C HETATM 1718 CBC HEM A 282 -6.897 6.261 0.214 1.00 1.00 C HETATM 1719 C1D HEM A 282 -9.159 1.607 -2.628 1.00 1.00 C HETATM 1720 C2D HEM A 282 -10.474 1.565 -3.223 1.00 1.00 C HETATM 1721 C3D HEM A 282 -10.570 0.395 -3.889 1.00 1.00 C HETATM 1722 C4D HEM A 282 -9.316 -0.299 -3.712 1.00 1.00 C HETATM 1723 CMD HEM A 282 -11.509 2.645 -3.097 1.00 1.00 C HETATM 1724 CAD HEM A 282 -11.737 -0.128 -4.675 1.00 1.00 C HETATM 1725 CBD HEM A 282 -11.518 -0.126 -6.185 1.00 1.00 C HETATM 1726 CGD HEM A 282 -12.192 1.073 -6.836 1.00 1.00 C HETATM 1727 O1D HEM A 282 -13.418 1.213 -6.636 1.00 1.00 O HETATM 1728 O2D HEM A 282 -11.468 1.828 -7.521 1.00 1.00 O HETATM 1729 NA HEM A 282 -6.713 -1.751 -3.402 1.00 1.00 N HETATM 1730 NB HEM A 282 -4.615 -0.397 -2.016 1.00 1.00 N HETATM 1731 NC HEM A 282 -6.367 1.832 -1.573 1.00 1.00 N HETATM 1732 ND HEM A 282 -8.455 0.456 -2.935 1.00 1.00 N HETATM 1733 FE HEM A 282 -6.582 0.126 -2.408 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -5.982 -5.714 -5.205 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -4.618 -5.137 -4.217 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -4.791 -4.590 -5.902 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -2.011 -3.516 -2.035 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.842 -2.514 -1.143 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -0.968 -2.371 -2.912 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 -3.923 3.715 1.071 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 -5.207 4.910 1.370 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 -4.132 5.093 -0.036 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -12.136 2.654 -3.989 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -11.016 3.611 -2.990 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -12.128 2.455 -2.220 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 1.008 0.441 -0.863 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 0.064 -0.445 -2.236 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 -7.396 7.172 0.544 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 -5.815 6.248 0.085 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -9.843 -4.067 -4.243 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -9.440 -5.694 -4.756 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -7.802 -4.994 -6.220 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -8.632 -3.502 -6.614 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -11.914 -1.047 -6.614 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -10.450 -0.108 -6.400 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -12.616 0.474 -4.445 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -11.954 -1.146 -4.351 1.00 1.00 H new HETATM 0 HHA HEM A 282 -9.807 -2.081 -4.782 1.00 1.00 H new HETATM 0 HHB HEM A 282 -3.794 -3.502 -3.151 1.00 1.00 H new HETATM 0 HHC HEM A 282 -3.197 2.188 -0.285 1.00 1.00 H new HETATM 0 HHD HEM A 282 -9.367 3.470 -1.633 1.00 1.00 H new HETATM 0 HAB HEM A 282 -1.285 0.790 0.448 1.00 1.00 H new HETATM 0 HAC HEM A 282 -8.797 4.963 0.044 1.00 1.00 H new HETATM 1734 CHA HEM A 305 2.864 -8.993 2.852 1.00 1.00 C HETATM 1735 CHB HEM A 305 0.003 -10.830 6.340 1.00 1.00 C HETATM 1736 CHC HEM A 305 -3.783 -8.328 4.571 1.00 1.00 C HETATM 1737 CHD HEM A 305 -0.869 -6.361 1.160 1.00 1.00 C HETATM 1738 C1A HEM A 305 2.407 -9.692 3.964 1.00 1.00 C HETATM 1739 C2A HEM A 305 3.244 -10.516 4.805 1.00 1.00 C HETATM 1740 C3A HEM A 305 2.454 -11.026 5.773 1.00 1.00 C HETATM 1741 C4A HEM A 305 1.120 -10.524 5.541 1.00 1.00 C HETATM 1742 CMA HEM A 305 2.843 -11.944 6.895 1.00 1.00 C HETATM 1743 CAA HEM A 305 4.715 -10.734 4.602 1.00 1.00 C HETATM 1744 CBA HEM A 305 5.586 -9.573 5.073 1.00 1.00 C HETATM 1745 CGA HEM A 305 6.508 -10.003 6.205 1.00 1.00 C HETATM 1746 O1A HEM A 305 7.735 -9.851 6.026 1.00 1.00 O HETATM 1747 O2A HEM A 305 5.967 -10.475 7.228 1.00 1.00 O HETATM 1748 C1B HEM A 305 -1.260 -10.269 6.178 1.00 1.00 C HETATM 1749 C2B HEM A 305 -2.357 -10.460 7.097 1.00 1.00 C HETATM 1750 C3B HEM A 305 -3.408 -9.767 6.610 1.00 1.00 C HETATM 1751 C4B HEM A 305 -2.972 -9.141 5.384 1.00 1.00 C HETATM 1752 CMB HEM A 305 -2.294 -11.283 8.350 1.00 1.00 C HETATM 1753 CAB HEM A 305 -4.784 -9.643 7.195 1.00 1.00 C HETATM 1754 CBB HEM A 305 -4.873 -8.676 8.373 1.00 1.00 C HETATM 1755 C1C HEM A 305 -3.363 -7.701 3.328 1.00 1.00 C HETATM 1756 C2C HEM A 305 -4.197 -7.028 2.359 1.00 1.00 C HETATM 1757 C3C HEM A 305 -3.373 -6.460 1.454 1.00 1.00 C HETATM 1758 C4C HEM A 305 -2.022 -6.775 1.852 1.00 1.00 C HETATM 1759 CMC HEM A 305 -5.697 -6.994 2.394 1.00 1.00 C HETATM 1760 CAC HEM A 305 -3.746 -5.648 0.247 1.00 1.00 C HETATM 1761 CBC HEM A 305 -5.203 -5.195 0.230 1.00 1.00 C HETATM 1762 C1D HEM A 305 0.399 -6.901 1.346 1.00 1.00 C HETATM 1763 C2D HEM A 305 1.559 -6.535 0.568 1.00 1.00 C HETATM 1764 C3D HEM A 305 2.596 -7.263 1.034 1.00 1.00 C HETATM 1765 C4D HEM A 305 2.088 -8.087 2.106 1.00 1.00 C HETATM 1766 CMD HEM A 305 1.564 -5.527 -0.544 1.00 1.00 C HETATM 1767 CAD HEM A 305 4.020 -7.252 0.561 1.00 1.00 C HETATM 1768 CBD HEM A 305 5.034 -6.925 1.653 1.00 1.00 C HETATM 1769 CGD HEM A 305 5.757 -5.619 1.357 1.00 1.00 C HETATM 1770 O1D HEM A 305 5.138 -4.768 0.681 1.00 1.00 O HETATM 1771 O2D HEM A 305 6.915 -5.495 1.812 1.00 1.00 O HETATM 1772 NA HEM A 305 1.102 -9.705 4.426 1.00 1.00 N HETATM 1773 NB HEM A 305 -1.649 -9.456 5.127 1.00 1.00 N HETATM 1774 NC HEM A 305 -2.027 -7.538 3.007 1.00 1.00 N HETATM 1775 ND HEM A 305 0.735 -7.857 2.289 1.00 1.00 N HETATM 1776 FE HEM A 305 -0.465 -8.655 3.655 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 2.197 -11.763 7.754 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 3.880 -11.758 7.175 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 2.735 -12.979 6.572 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 -2.980 -10.871 9.091 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 -1.279 -11.265 8.746 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 -2.578 -12.311 8.125 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 -6.071 -7.905 2.861 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 -6.083 -6.923 1.377 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 -6.028 -6.129 2.969 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.587 -5.512 -1.026 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 2.326 -5.796 -1.276 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 1.783 -4.539 -0.139 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 -5.828 -8.512 8.872 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 -3.982 -8.150 8.715 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 -5.579 -4.599 -0.602 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 -5.868 -5.467 1.050 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 4.952 -8.752 5.408 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 6.179 -9.198 4.239 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 4.903 -10.909 3.543 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 5.014 -11.638 5.133 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 5.759 -7.735 1.735 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 4.526 -6.853 2.615 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 4.119 -6.523 -0.243 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 4.259 -8.228 0.138 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.885 -9.157 2.540 1.00 1.00 H new HETATM 0 HHB HEM A 305 0.135 -11.550 7.134 1.00 1.00 H new HETATM 0 HHC HEM A 305 -4.798 -8.156 4.896 1.00 1.00 H new HETATM 0 HHD HEM A 305 -0.976 -5.569 0.434 1.00 1.00 H new HETATM 0 HAB HEM A 305 -5.643 -10.194 6.813 1.00 1.00 H new HETATM 0 HAC HEM A 305 -3.039 -5.404 -0.546 1.00 1.00 H new