USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=28 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+ -109:sc= 0.0811 (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= -0.729 USER MOD Single : A 15 GLN : amide:sc=-0.00208 X(o=-0.0021,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 169:sc= -0.229 (180deg=-0.674) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -90:sc= -1.93 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 150: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= -1.09 USER MOD Single : A 49 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HD1:sc= -2.48! K(o=-2.5!,f=-1.7) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 135:sc= -3.81! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 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 70:sc= 1.24 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 127:sc= 1.05 USER MOD Single : A 104 LYS NZ :NH3+ -166:sc= 1.13 (180deg=0.967) USER MOD Single : A 233 HEM CMA :methyl 150:sc= -0.05 (180deg=-0.05) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -6.19! (180deg=-6.59!) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -1.97! (180deg=-4.35!) USER MOD Single : A 233 HEM CMD :methyl 150:sc= -7.42! (180deg=-7.42!) USER MOD Single : A 251 HEM CMA :methyl 150:sc= -0.389 (180deg=-0.389) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -1.51 (180deg=-3.03!) USER MOD Single : A 251 HEM CMC :methyl 150:sc= -3.13 (180deg=-3.13) USER MOD Single : A 251 HEM CMD :methyl 150:sc= -6.82! (180deg=-6.82!) USER MOD Single : A 282 HEM CMA :methyl -30:sc= -0.0614 (180deg=-0.385) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -1.92 (180deg=-4.15!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -7.32! (180deg=-8.66!) USER MOD Single : A 282 HEM CMD :methyl -30:sc= -0.336 (180deg=-0.462) USER MOD Single : A 305 HEM CMA :methyl 150:sc= -0.207 (180deg=-0.207) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.155 (180deg=-0.155) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -8.51! (180deg=-9.46!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.208 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.256 15.552 -11.657 1.00 1.00 N ATOM 2 CA ALA A 1 2.747 14.312 -11.081 1.00 1.00 C ATOM 3 C ALA A 1 3.139 13.352 -12.206 1.00 1.00 C ATOM 4 O ALA A 1 2.681 13.455 -13.341 1.00 1.00 O ATOM 5 CB ALA A 1 1.681 13.722 -10.156 1.00 1.00 C ATOM 0 H1 ALA A 1 2.951 16.309 -11.495 1.00 1.00 H new ATOM 0 H2 ALA A 1 2.112 15.427 -12.679 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.353 15.809 -11.209 1.00 1.00 H new ATOM 0 HA ALA A 1 3.637 14.494 -10.479 1.00 1.00 H new ATOM 0 HB1 ALA A 1 2.049 12.792 -9.724 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.459 14.430 -9.358 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.774 13.523 -10.727 1.00 1.00 H new ATOM 11 N PRO A 2 4.011 12.403 -11.859 1.00 1.00 N ATOM 12 CA PRO A 2 4.517 11.390 -12.761 1.00 1.00 C ATOM 13 C PRO A 2 3.359 10.759 -13.520 1.00 1.00 C ATOM 14 O PRO A 2 2.234 10.791 -13.023 1.00 1.00 O ATOM 15 CB PRO A 2 5.202 10.367 -11.857 1.00 1.00 C ATOM 16 CG PRO A 2 4.810 10.753 -10.374 1.00 1.00 C ATOM 17 CD PRO A 2 4.570 12.252 -10.533 1.00 1.00 C ATOM 0 HA PRO A 2 5.205 11.790 -13.505 1.00 1.00 H new ATOM 0 HB2 PRO A 2 4.873 9.355 -12.095 1.00 1.00 H new ATOM 0 HB3 PRO A 2 6.283 10.391 -11.992 1.00 1.00 H new ATOM 0 HG2 PRO A 2 3.921 10.225 -10.029 1.00 1.00 H new ATOM 0 HG3 PRO A 2 5.607 10.533 -9.664 1.00 1.00 H new ATOM 0 HD2 PRO A 2 3.885 12.625 -9.771 1.00 1.00 H new ATOM 0 HD3 PRO A 2 5.498 12.814 -10.430 1.00 1.00 H new ATOM 25 N ALA A 3 3.646 10.206 -14.690 1.00 1.00 N ATOM 26 CA ALA A 3 2.613 9.578 -15.495 1.00 1.00 C ATOM 27 C ALA A 3 2.171 8.276 -14.825 1.00 1.00 C ATOM 28 O ALA A 3 2.984 7.378 -14.608 1.00 1.00 O ATOM 29 CB ALA A 3 3.137 9.354 -16.915 1.00 1.00 C ATOM 0 H ALA A 3 4.580 10.180 -15.099 1.00 1.00 H new ATOM 0 HA ALA A 3 1.738 10.224 -15.568 1.00 1.00 H new ATOM 0 HB1 ALA A 3 2.362 8.883 -17.519 1.00 1.00 H new ATOM 0 HB2 ALA A 3 3.409 10.312 -17.358 1.00 1.00 H new ATOM 0 HB3 ALA A 3 4.014 8.707 -16.881 1.00 1.00 H new ATOM 35 N VAL A 4 0.885 8.214 -14.514 1.00 1.00 N ATOM 36 CA VAL A 4 0.325 7.036 -13.873 1.00 1.00 C ATOM 37 C VAL A 4 0.395 5.853 -14.839 1.00 1.00 C ATOM 38 O VAL A 4 -0.123 5.888 -15.953 1.00 1.00 O ATOM 39 CB VAL A 4 -1.096 7.330 -13.388 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.068 7.424 -14.566 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.559 6.278 -12.378 1.00 1.00 C ATOM 0 H VAL A 4 0.214 8.961 -14.694 1.00 1.00 H new ATOM 0 HA VAL A 4 0.906 6.769 -12.990 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.085 8.296 -12.884 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.071 7.634 -14.194 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.754 8.226 -15.234 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.073 6.480 -15.110 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.572 6.510 -12.049 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.546 5.294 -12.846 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.889 6.279 -11.518 1.00 1.00 H new ATOM 51 N PRO A 5 1.058 4.788 -14.381 1.00 1.00 N ATOM 52 CA PRO A 5 1.244 3.561 -15.125 1.00 1.00 C ATOM 53 C PRO A 5 -0.074 2.804 -15.200 1.00 1.00 C ATOM 54 O PRO A 5 -0.707 2.611 -14.163 1.00 1.00 O ATOM 55 CB PRO A 5 2.283 2.774 -14.328 1.00 1.00 C ATOM 56 CG PRO A 5 2.153 3.266 -12.949 1.00 1.00 C ATOM 57 CD PRO A 5 1.679 4.712 -13.077 1.00 1.00 C ATOM 0 HA PRO A 5 1.571 3.732 -16.151 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.095 1.702 -14.384 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.288 2.942 -14.715 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.439 2.667 -12.384 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.105 3.210 -12.421 1.00 1.00 H new ATOM 0 HD2 PRO A 5 0.972 4.967 -12.288 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.513 5.409 -12.996 1.00 1.00 H new ATOM 65 N ASP A 6 -0.457 2.397 -16.401 1.00 1.00 N ATOM 66 CA ASP A 6 -1.701 1.667 -16.582 1.00 1.00 C ATOM 67 C ASP A 6 -1.459 0.181 -16.310 1.00 1.00 C ATOM 68 O ASP A 6 -2.340 -0.647 -16.537 1.00 1.00 O ATOM 69 CB ASP A 6 -2.218 1.807 -18.015 1.00 1.00 C ATOM 70 CG ASP A 6 -1.492 0.947 -19.051 1.00 1.00 C ATOM 71 OD1 ASP A 6 -0.315 0.595 -18.878 1.00 1.00 O ATOM 72 OD2 ASP A 6 -2.194 0.633 -20.087 1.00 1.00 O ATOM 0 H ASP A 6 0.072 2.559 -17.258 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.437 2.078 -15.891 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.277 1.550 -18.030 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.139 2.852 -18.313 1.00 1.00 H new ATOM 78 N LYS A 7 -0.261 -0.112 -15.827 1.00 1.00 N ATOM 79 CA LYS A 7 0.108 -1.484 -15.521 1.00 1.00 C ATOM 80 C LYS A 7 0.341 -1.621 -14.015 1.00 1.00 C ATOM 81 O LYS A 7 0.770 -0.693 -13.334 1.00 1.00 O ATOM 82 CB LYS A 7 1.304 -1.920 -16.371 1.00 1.00 C ATOM 83 CG LYS A 7 2.362 -0.816 -16.435 1.00 1.00 C ATOM 84 CD LYS A 7 2.230 -0.006 -17.726 1.00 1.00 C ATOM 85 CE LYS A 7 3.594 0.185 -18.395 1.00 1.00 C ATOM 86 NZ LYS A 7 3.861 -0.914 -19.350 1.00 1.00 N ATOM 0 H LYS A 7 0.467 0.577 -15.640 1.00 1.00 H new ATOM 0 HA LYS A 7 -0.703 -2.164 -15.782 1.00 1.00 H new ATOM 0 HB2 LYS A 7 1.743 -2.825 -15.951 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.968 -2.166 -17.378 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.256 -0.155 -15.574 1.00 1.00 H new ATOM 0 HG3 LYS A 7 3.357 -1.257 -16.378 1.00 1.00 H new ATOM 0 HD2 LYS A 7 1.553 -0.515 -18.412 1.00 1.00 H new ATOM 0 HD3 LYS A 7 1.789 0.966 -17.506 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.619 1.142 -18.916 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.377 0.214 -17.637 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.790 -0.769 -19.795 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 3.857 -1.822 -18.844 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 3.124 -0.923 -20.083 1.00 1.00 H new ATOM 99 N PRO A 8 0.045 -2.819 -13.505 1.00 1.00 N ATOM 100 CA PRO A 8 0.191 -3.170 -12.109 1.00 1.00 C ATOM 101 C PRO A 8 1.654 -3.458 -11.804 1.00 1.00 C ATOM 102 O PRO A 8 2.299 -4.151 -12.590 1.00 1.00 O ATOM 103 CB PRO A 8 -0.663 -4.424 -11.929 1.00 1.00 C ATOM 104 CG PRO A 8 -0.403 -5.129 -13.329 1.00 1.00 C ATOM 105 CD PRO A 8 -0.460 -3.934 -14.278 1.00 1.00 C ATOM 0 HA PRO A 8 -0.123 -2.372 -11.436 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.337 -5.034 -11.087 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.716 -4.193 -11.767 1.00 1.00 H new ATOM 0 HG2 PRO A 8 0.562 -5.635 -13.362 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -1.163 -5.875 -13.561 1.00 1.00 H new ATOM 0 HD2 PRO A 8 0.148 -4.106 -15.166 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.479 -3.749 -14.619 1.00 1.00 H new ATOM 113 N VAL A 9 2.144 -2.930 -10.692 1.00 1.00 N ATOM 114 CA VAL A 9 3.530 -3.142 -10.311 1.00 1.00 C ATOM 115 C VAL A 9 3.585 -4.102 -9.121 1.00 1.00 C ATOM 116 O VAL A 9 2.863 -3.924 -8.141 1.00 1.00 O ATOM 117 CB VAL A 9 4.207 -1.800 -10.027 1.00 1.00 C ATOM 118 CG1 VAL A 9 4.631 -1.115 -11.328 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.295 -0.890 -9.200 1.00 1.00 C ATOM 0 H VAL A 9 1.606 -2.356 -10.043 1.00 1.00 H new ATOM 0 HA VAL A 9 4.084 -3.603 -11.128 1.00 1.00 H new ATOM 0 HB VAL A 9 5.106 -1.995 -9.442 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.110 -0.163 -11.099 1.00 1.00 H new ATOM 0 HG12 VAL A 9 5.333 -1.754 -11.864 1.00 1.00 H new ATOM 0 HG13 VAL A 9 3.753 -0.939 -11.950 1.00 1.00 H new ATOM 0 HG21 VAL A 9 3.800 0.057 -9.012 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.371 -0.706 -9.748 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.064 -1.373 -8.250 1.00 1.00 H new ATOM 129 N GLU A 10 4.448 -5.100 -9.245 1.00 1.00 N ATOM 130 CA GLU A 10 4.607 -6.088 -8.192 1.00 1.00 C ATOM 131 C GLU A 10 5.316 -5.470 -6.986 1.00 1.00 C ATOM 132 O GLU A 10 6.213 -4.643 -7.145 1.00 1.00 O ATOM 133 CB GLU A 10 5.364 -7.316 -8.703 1.00 1.00 C ATOM 134 CG GLU A 10 4.451 -8.213 -9.542 1.00 1.00 C ATOM 135 CD GLU A 10 5.243 -9.354 -10.184 1.00 1.00 C ATOM 136 OE1 GLU A 10 5.350 -9.417 -11.418 1.00 1.00 O ATOM 137 OE2 GLU A 10 5.760 -10.194 -9.352 1.00 1.00 O ATOM 0 H GLU A 10 5.045 -5.245 -10.059 1.00 1.00 H new ATOM 0 HA GLU A 10 3.617 -6.417 -7.877 1.00 1.00 H new ATOM 0 HB2 GLU A 10 6.218 -6.998 -9.302 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.759 -7.881 -7.859 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.661 -8.623 -8.913 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.966 -7.620 -10.318 1.00 1.00 H new ATOM 145 N VAL A 11 4.887 -5.893 -5.806 1.00 1.00 N ATOM 146 CA VAL A 11 5.470 -5.391 -4.574 1.00 1.00 C ATOM 147 C VAL A 11 6.044 -6.561 -3.773 1.00 1.00 C ATOM 148 O VAL A 11 5.529 -6.903 -2.709 1.00 1.00 O ATOM 149 CB VAL A 11 4.429 -4.587 -3.793 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.059 -3.913 -2.572 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.743 -3.558 -4.693 1.00 1.00 C ATOM 0 H VAL A 11 4.142 -6.578 -5.677 1.00 1.00 H new ATOM 0 HA VAL A 11 6.293 -4.710 -4.791 1.00 1.00 H new ATOM 0 HB VAL A 11 3.668 -5.282 -3.437 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.297 -3.348 -2.035 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.479 -4.673 -1.913 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.850 -3.237 -2.897 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.008 -3.000 -4.113 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.488 -2.870 -5.092 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.244 -4.070 -5.516 1.00 1.00 H new ATOM 161 N LYS A 12 7.105 -7.143 -4.314 1.00 1.00 N ATOM 162 CA LYS A 12 7.755 -8.268 -3.663 1.00 1.00 C ATOM 163 C LYS A 12 7.810 -8.017 -2.155 1.00 1.00 C ATOM 164 O LYS A 12 8.247 -6.955 -1.714 1.00 1.00 O ATOM 165 CB LYS A 12 9.124 -8.532 -4.292 1.00 1.00 C ATOM 166 CG LYS A 12 9.889 -9.603 -3.512 1.00 1.00 C ATOM 167 CD LYS A 12 11.359 -9.645 -3.934 1.00 1.00 C ATOM 168 CE LYS A 12 12.155 -10.612 -3.055 1.00 1.00 C ATOM 169 NZ LYS A 12 13.064 -11.436 -3.882 1.00 1.00 N ATOM 0 H LYS A 12 7.530 -6.856 -5.196 1.00 1.00 H new ATOM 0 HA LYS A 12 7.178 -9.181 -3.814 1.00 1.00 H new ATOM 0 HB2 LYS A 12 8.997 -8.851 -5.326 1.00 1.00 H new ATOM 0 HB3 LYS A 12 9.703 -7.609 -4.312 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.820 -9.399 -2.444 1.00 1.00 H new ATOM 0 HG3 LYS A 12 9.431 -10.577 -3.681 1.00 1.00 H new ATOM 0 HD2 LYS A 12 11.433 -9.952 -4.977 1.00 1.00 H new ATOM 0 HD3 LYS A 12 11.790 -8.646 -3.864 1.00 1.00 H new ATOM 0 HE2 LYS A 12 12.731 -10.052 -2.318 1.00 1.00 H new ATOM 0 HE3 LYS A 12 11.472 -11.257 -2.502 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 13.596 -12.087 -3.270 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 12.507 -11.984 -4.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 13.728 -10.817 -4.390 1.00 1.00 H new ATOM 182 N GLY A 13 7.359 -9.012 -1.405 1.00 1.00 N ATOM 183 CA GLY A 13 7.351 -8.912 0.045 1.00 1.00 C ATOM 184 C GLY A 13 8.226 -9.998 0.674 1.00 1.00 C ATOM 185 O GLY A 13 9.157 -10.494 0.041 1.00 1.00 O ATOM 0 H GLY A 13 6.997 -9.891 -1.774 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.712 -7.929 0.347 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.329 -9.004 0.414 1.00 1.00 H new ATOM 189 N SER A 14 7.896 -10.335 1.912 1.00 1.00 N ATOM 190 CA SER A 14 8.641 -11.354 2.634 1.00 1.00 C ATOM 191 C SER A 14 8.661 -12.655 1.830 1.00 1.00 C ATOM 192 O SER A 14 9.696 -13.036 1.285 1.00 1.00 O ATOM 193 CB SER A 14 8.041 -11.595 4.020 1.00 1.00 C ATOM 194 OG SER A 14 7.831 -12.981 4.277 1.00 1.00 O ATOM 0 H SER A 14 7.123 -9.921 2.434 1.00 1.00 H new ATOM 0 HA SER A 14 9.664 -11.001 2.767 1.00 1.00 H new ATOM 0 HB2 SER A 14 8.705 -11.182 4.779 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.093 -11.063 4.102 1.00 1.00 H new ATOM 0 HG SER A 14 7.449 -13.093 5.172 1.00 1.00 H new ATOM 200 N GLN A 15 7.506 -13.302 1.782 1.00 1.00 N ATOM 201 CA GLN A 15 7.378 -14.553 1.054 1.00 1.00 C ATOM 202 C GLN A 15 6.021 -14.621 0.350 1.00 1.00 C ATOM 203 O GLN A 15 5.358 -15.657 0.373 1.00 1.00 O ATOM 204 CB GLN A 15 7.574 -15.751 1.985 1.00 1.00 C ATOM 205 CG GLN A 15 7.762 -17.042 1.185 1.00 1.00 C ATOM 206 CD GLN A 15 7.324 -18.261 1.999 1.00 1.00 C ATOM 207 OE1 GLN A 15 6.490 -19.049 1.584 1.00 1.00 O ATOM 208 NE2 GLN A 15 7.929 -18.370 3.178 1.00 1.00 N ATOM 0 H GLN A 15 6.650 -12.983 2.236 1.00 1.00 H new ATOM 0 HA GLN A 15 8.160 -14.592 0.296 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.443 -15.583 2.621 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.711 -15.849 2.644 1.00 1.00 H new ATOM 0 HG2 GLN A 15 7.184 -16.990 0.262 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.809 -17.148 0.900 1.00 1.00 H new ATOM 0 HE21 GLN A 15 8.618 -17.675 3.464 1.00 1.00 H new ATOM 0 HE22 GLN A 15 7.704 -19.149 3.797 1.00 1.00 H new ATOM 217 N LYS A 16 5.649 -13.505 -0.258 1.00 1.00 N ATOM 218 CA LYS A 16 4.383 -13.425 -0.967 1.00 1.00 C ATOM 219 C LYS A 16 4.404 -12.216 -1.905 1.00 1.00 C ATOM 220 O LYS A 16 4.689 -11.099 -1.477 1.00 1.00 O ATOM 221 CB LYS A 16 3.215 -13.416 0.022 1.00 1.00 C ATOM 222 CG LYS A 16 1.980 -14.087 -0.583 1.00 1.00 C ATOM 223 CD LYS A 16 1.570 -15.317 0.229 1.00 1.00 C ATOM 224 CE LYS A 16 0.483 -14.965 1.247 1.00 1.00 C ATOM 225 NZ LYS A 16 0.783 -15.580 2.559 1.00 1.00 N ATOM 0 H LYS A 16 6.202 -12.648 -0.275 1.00 1.00 H new ATOM 0 HA LYS A 16 4.238 -14.309 -1.589 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.504 -13.934 0.936 1.00 1.00 H new ATOM 0 HB3 LYS A 16 2.976 -12.389 0.299 1.00 1.00 H new ATOM 0 HG2 LYS A 16 1.154 -13.376 -0.614 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.188 -14.379 -1.612 1.00 1.00 H new ATOM 0 HD2 LYS A 16 1.207 -16.095 -0.442 1.00 1.00 H new ATOM 0 HD3 LYS A 16 2.440 -15.722 0.746 1.00 1.00 H new ATOM 0 HE2 LYS A 16 0.413 -13.882 1.354 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -0.486 -15.313 0.889 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 0.036 -15.331 3.238 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 0.827 -16.614 2.456 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 1.698 -15.228 2.907 1.00 1.00 H new ATOM 238 N THR A 17 4.097 -12.481 -3.166 1.00 1.00 N ATOM 239 CA THR A 17 4.077 -11.429 -4.168 1.00 1.00 C ATOM 240 C THR A 17 2.687 -10.796 -4.249 1.00 1.00 C ATOM 241 O THR A 17 1.684 -11.502 -4.346 1.00 1.00 O ATOM 242 CB THR A 17 4.550 -12.030 -5.494 1.00 1.00 C ATOM 243 OG1 THR A 17 5.838 -12.562 -5.194 1.00 1.00 O ATOM 244 CG2 THR A 17 4.826 -10.962 -6.555 1.00 1.00 C ATOM 0 H THR A 17 3.860 -13.409 -3.517 1.00 1.00 H new ATOM 0 HA THR A 17 4.754 -10.617 -3.903 1.00 1.00 H new ATOM 0 HB THR A 17 3.798 -12.726 -5.866 1.00 1.00 H new ATOM 0 HG1 THR A 17 6.218 -12.973 -5.999 1.00 1.00 H new ATOM 0 HG21 THR A 17 5.159 -11.441 -7.476 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.914 -10.397 -6.749 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.602 -10.286 -6.197 1.00 1.00 H new ATOM 252 N VAL A 18 2.671 -9.472 -4.208 1.00 1.00 N ATOM 253 CA VAL A 18 1.420 -8.736 -4.275 1.00 1.00 C ATOM 254 C VAL A 18 1.560 -7.593 -5.282 1.00 1.00 C ATOM 255 O VAL A 18 2.481 -6.783 -5.184 1.00 1.00 O ATOM 256 CB VAL A 18 1.018 -8.257 -2.879 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.354 -7.581 -2.905 1.00 1.00 C ATOM 258 CG2 VAL A 18 1.041 -9.413 -1.876 1.00 1.00 C ATOM 0 H VAL A 18 3.505 -8.890 -4.129 1.00 1.00 H new ATOM 0 HA VAL A 18 0.615 -9.382 -4.626 1.00 1.00 H new ATOM 0 HB VAL A 18 1.749 -7.517 -2.555 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.616 -7.250 -1.900 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.323 -6.721 -3.574 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.102 -8.290 -3.260 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.751 -9.046 -0.891 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.342 -10.186 -2.195 1.00 1.00 H new ATOM 0 HG23 VAL A 18 2.046 -9.831 -1.826 1.00 1.00 H new ATOM 268 N MET A 19 0.632 -7.562 -6.228 1.00 1.00 N ATOM 269 CA MET A 19 0.641 -6.532 -7.252 1.00 1.00 C ATOM 270 C MET A 19 -0.458 -5.498 -6.998 1.00 1.00 C ATOM 271 O MET A 19 -1.601 -5.857 -6.716 1.00 1.00 O ATOM 272 CB MET A 19 0.431 -7.174 -8.625 1.00 1.00 C ATOM 273 CG MET A 19 -0.934 -7.860 -8.706 1.00 1.00 C ATOM 274 SD MET A 19 -1.973 -7.015 -9.886 1.00 1.00 S ATOM 275 CE MET A 19 -1.342 -7.707 -11.406 1.00 1.00 C ATOM 0 H MET A 19 -0.131 -8.234 -6.306 1.00 1.00 H new ATOM 0 HA MET A 19 1.605 -6.025 -7.223 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.506 -6.413 -9.402 1.00 1.00 H new ATOM 0 HB3 MET A 19 1.220 -7.902 -8.815 1.00 1.00 H new ATOM 0 HG2 MET A 19 -0.809 -8.902 -9.000 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.409 -7.860 -7.725 1.00 1.00 H new ATOM 0 HE1 MET A 19 -2.004 -7.439 -12.230 1.00 1.00 H new ATOM 0 HE2 MET A 19 -0.344 -7.312 -11.599 1.00 1.00 H new ATOM 0 HE3 MET A 19 -1.292 -8.792 -11.319 1.00 1.00 H new ATOM 285 N PHE A 20 -0.075 -4.234 -7.106 1.00 1.00 N ATOM 286 CA PHE A 20 -1.013 -3.146 -6.892 1.00 1.00 C ATOM 287 C PHE A 20 -1.309 -2.411 -8.201 1.00 1.00 C ATOM 288 O PHE A 20 -0.415 -1.934 -8.898 1.00 1.00 O ATOM 289 CB PHE A 20 -0.354 -2.173 -5.912 1.00 1.00 C ATOM 290 CG PHE A 20 -0.964 -0.770 -5.923 1.00 1.00 C ATOM 291 CD1 PHE A 20 -2.074 -0.506 -5.183 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.396 0.213 -6.673 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.640 0.796 -5.194 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.962 1.515 -6.682 1.00 1.00 C ATOM 295 CZ PHE A 20 -2.073 1.779 -5.943 1.00 1.00 C ATOM 0 H PHE A 20 0.873 -3.939 -7.339 1.00 1.00 H new ATOM 0 HA PHE A 20 -1.954 -3.537 -6.506 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.428 -2.582 -4.904 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.707 -2.098 -6.148 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.525 -1.286 -4.587 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.485 0.003 -7.261 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.522 1.006 -4.607 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.510 2.296 -7.276 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.505 2.769 -5.951 1.00 1.00 H new ATOM 305 N PRO A 21 -2.602 -2.330 -8.523 1.00 1.00 N ATOM 306 CA PRO A 21 -3.107 -1.679 -9.713 1.00 1.00 C ATOM 307 C PRO A 21 -3.331 -0.200 -9.430 1.00 1.00 C ATOM 308 O PRO A 21 -3.829 0.137 -8.358 1.00 1.00 O ATOM 309 CB PRO A 21 -4.427 -2.385 -10.015 1.00 1.00 C ATOM 310 CG PRO A 21 -4.944 -2.613 -8.538 1.00 1.00 C ATOM 311 CD PRO A 21 -3.678 -2.879 -7.727 1.00 1.00 C ATOM 0 HA PRO A 21 -2.418 -1.741 -10.555 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.105 -1.770 -10.606 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.288 -3.319 -10.559 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.478 -1.739 -8.165 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.634 -3.455 -8.484 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.728 -2.402 -6.748 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.537 -3.946 -7.554 1.00 1.00 H new ATOM 319 N HIS A 22 -2.963 0.654 -10.385 1.00 1.00 N ATOM 320 CA HIS A 22 -3.114 2.099 -10.257 1.00 1.00 C ATOM 321 C HIS A 22 -4.514 2.520 -10.740 1.00 1.00 C ATOM 322 O HIS A 22 -5.093 3.466 -10.207 1.00 1.00 O ATOM 323 CB HIS A 22 -1.957 2.787 -10.996 1.00 1.00 C ATOM 324 CG HIS A 22 -0.713 3.080 -10.188 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.417 2.380 -10.328 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.461 4.025 -9.223 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.337 2.870 -9.483 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.848 3.888 -8.776 1.00 1.00 N ATOM 0 H HIS A 22 -2.551 0.360 -11.271 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.052 2.417 -9.216 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.673 2.161 -11.842 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.326 3.727 -11.405 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.557 1.601 -10.972 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.169 4.759 -8.868 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.343 2.489 -9.388 1.00 1.00 H new ATOM 336 N ALA A 23 -5.011 1.800 -11.735 1.00 1.00 N ATOM 337 CA ALA A 23 -6.324 2.091 -12.285 1.00 1.00 C ATOM 338 C ALA A 23 -7.327 2.254 -11.142 1.00 1.00 C ATOM 339 O ALA A 23 -8.018 3.263 -11.019 1.00 1.00 O ATOM 340 CB ALA A 23 -6.725 0.982 -13.260 1.00 1.00 C ATOM 0 H ALA A 23 -4.528 1.016 -12.174 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.308 3.027 -12.844 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.710 1.199 -13.673 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -5.996 0.927 -14.069 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.755 0.028 -12.734 1.00 1.00 H new ATOM 346 N PRO A 24 -7.391 1.223 -10.296 1.00 1.00 N ATOM 347 CA PRO A 24 -8.267 1.166 -9.146 1.00 1.00 C ATOM 348 C PRO A 24 -7.864 2.237 -8.142 1.00 1.00 C ATOM 349 O PRO A 24 -8.555 2.412 -7.141 1.00 1.00 O ATOM 350 CB PRO A 24 -8.061 -0.233 -8.566 1.00 1.00 C ATOM 351 CG PRO A 24 -7.405 -1.060 -9.703 1.00 1.00 C ATOM 352 CD PRO A 24 -6.593 0.022 -10.410 1.00 1.00 C ATOM 0 HA PRO A 24 -9.312 1.345 -9.400 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.421 -0.202 -7.684 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.009 -0.673 -8.257 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.777 -1.864 -9.320 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.144 -1.518 -10.360 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.617 0.151 -9.943 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.416 -0.236 -11.454 1.00 1.00 H new ATOM 360 N HIS A 25 -6.760 2.931 -8.421 1.00 1.00 N ATOM 361 CA HIS A 25 -6.249 3.987 -7.554 1.00 1.00 C ATOM 362 C HIS A 25 -5.874 5.218 -8.398 1.00 1.00 C ATOM 363 O HIS A 25 -4.865 5.869 -8.129 1.00 1.00 O ATOM 364 CB HIS A 25 -5.094 3.423 -6.712 1.00 1.00 C ATOM 365 CG HIS A 25 -5.409 2.231 -5.838 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.300 0.972 -6.272 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.837 2.150 -4.534 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.645 0.139 -5.278 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.985 0.814 -4.181 1.00 1.00 N ATOM 0 H HIS A 25 -6.196 2.775 -9.256 1.00 1.00 H new ATOM 0 HA HIS A 25 -7.010 4.330 -6.853 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.285 3.145 -7.387 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.716 4.222 -6.074 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -5.003 0.690 -7.206 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.028 2.992 -3.886 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.647 -0.938 -5.357 1.00 1.00 H new ATOM 377 N GLU A 26 -6.703 5.496 -9.393 1.00 1.00 N ATOM 378 CA GLU A 26 -6.468 6.633 -10.268 1.00 1.00 C ATOM 379 C GLU A 26 -7.344 7.815 -9.849 1.00 1.00 C ATOM 380 O GLU A 26 -7.383 8.837 -10.533 1.00 1.00 O ATOM 381 CB GLU A 26 -6.714 6.259 -11.731 1.00 1.00 C ATOM 382 CG GLU A 26 -5.470 6.524 -12.581 1.00 1.00 C ATOM 383 CD GLU A 26 -5.833 7.275 -13.864 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.565 8.274 -13.812 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.325 6.786 -14.944 1.00 1.00 O ATOM 0 H GLU A 26 -7.538 4.954 -9.613 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.423 6.929 -10.174 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.988 5.206 -11.800 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.554 6.834 -12.121 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.749 7.106 -12.006 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.989 5.579 -12.832 1.00 1.00 H new ATOM 393 N LYS A 27 -8.027 7.637 -8.728 1.00 1.00 N ATOM 394 CA LYS A 27 -8.900 8.676 -8.210 1.00 1.00 C ATOM 395 C LYS A 27 -8.345 9.186 -6.878 1.00 1.00 C ATOM 396 O LYS A 27 -8.679 10.287 -6.443 1.00 1.00 O ATOM 397 CB LYS A 27 -10.341 8.171 -8.123 1.00 1.00 C ATOM 398 CG LYS A 27 -10.503 7.168 -6.979 1.00 1.00 C ATOM 399 CD LYS A 27 -11.841 7.364 -6.263 1.00 1.00 C ATOM 400 CE LYS A 27 -11.665 7.298 -4.745 1.00 1.00 C ATOM 401 NZ LYS A 27 -11.176 8.593 -4.222 1.00 1.00 N ATOM 0 H LYS A 27 -7.993 6.788 -8.164 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.926 9.526 -8.891 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -11.017 9.013 -7.971 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.623 7.702 -9.065 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.441 6.152 -7.370 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -9.685 7.287 -6.268 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -12.269 8.327 -6.542 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.546 6.597 -6.585 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -12.615 7.044 -4.274 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -10.961 6.507 -4.489 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -11.062 8.530 -3.190 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -10.260 8.820 -4.658 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -11.862 9.341 -4.450 1.00 1.00 H new ATOM 414 N VAL A 28 -7.508 8.360 -6.267 1.00 1.00 N ATOM 415 CA VAL A 28 -6.905 8.712 -4.994 1.00 1.00 C ATOM 416 C VAL A 28 -5.633 9.525 -5.245 1.00 1.00 C ATOM 417 O VAL A 28 -4.764 9.105 -6.009 1.00 1.00 O ATOM 418 CB VAL A 28 -6.654 7.450 -4.166 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.205 7.806 -2.747 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.896 6.556 -4.140 1.00 1.00 C ATOM 0 H VAL A 28 -7.234 7.448 -6.631 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.581 9.337 -4.411 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.848 6.891 -4.642 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.033 6.891 -2.179 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.282 8.384 -2.792 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.980 8.397 -2.258 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.691 5.666 -3.545 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.729 7.103 -3.699 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.153 6.261 -5.157 1.00 1.00 H new ATOM 430 N GLU A 29 -5.563 10.673 -4.588 1.00 1.00 N ATOM 431 CA GLU A 29 -4.411 11.548 -4.730 1.00 1.00 C ATOM 432 C GLU A 29 -3.116 10.758 -4.529 1.00 1.00 C ATOM 433 O GLU A 29 -3.023 9.933 -3.622 1.00 1.00 O ATOM 434 CB GLU A 29 -4.493 12.724 -3.756 1.00 1.00 C ATOM 435 CG GLU A 29 -4.960 13.995 -4.468 1.00 1.00 C ATOM 436 CD GLU A 29 -3.964 15.138 -4.261 1.00 1.00 C ATOM 437 OE1 GLU A 29 -2.826 15.063 -4.747 1.00 1.00 O ATOM 438 OE2 GLU A 29 -4.410 16.131 -3.569 1.00 1.00 O ATOM 0 H GLU A 29 -6.285 11.018 -3.956 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.411 11.956 -5.741 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.182 12.483 -2.946 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.516 12.895 -3.303 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -5.076 13.797 -5.534 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.939 14.289 -4.090 1.00 1.00 H new ATOM 446 N CYS A 30 -2.150 11.038 -5.391 1.00 1.00 N ATOM 447 CA CYS A 30 -0.865 10.365 -5.319 1.00 1.00 C ATOM 448 C CYS A 30 -0.366 10.434 -3.875 1.00 1.00 C ATOM 449 O CYS A 30 -0.175 9.404 -3.230 1.00 1.00 O ATOM 450 CB CYS A 30 0.144 10.964 -6.301 1.00 1.00 C ATOM 451 SG CYS A 30 -0.517 11.292 -7.976 1.00 1.00 S ATOM 0 H CYS A 30 -2.232 11.722 -6.143 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.982 9.322 -5.612 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.523 11.898 -5.886 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.993 10.286 -6.387 1.00 1.00 H new ATOM 456 N VAL A 31 -0.168 11.658 -3.409 1.00 1.00 N ATOM 457 CA VAL A 31 0.305 11.876 -2.052 1.00 1.00 C ATOM 458 C VAL A 31 -0.398 10.897 -1.109 1.00 1.00 C ATOM 459 O VAL A 31 0.254 10.208 -0.326 1.00 1.00 O ATOM 460 CB VAL A 31 0.102 13.339 -1.655 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.343 13.779 -1.903 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.504 13.573 -0.198 1.00 1.00 C ATOM 0 H VAL A 31 -0.327 12.510 -3.947 1.00 1.00 H new ATOM 0 HA VAL A 31 1.375 11.681 -1.985 1.00 1.00 H new ATOM 0 HB VAL A 31 0.751 13.949 -2.283 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.460 14.823 -1.612 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.581 13.668 -2.961 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -2.018 13.160 -1.312 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.350 14.621 0.058 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -0.106 12.947 0.453 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.555 13.318 -0.065 1.00 1.00 H new ATOM 472 N THR A 32 -1.718 10.868 -1.215 1.00 1.00 N ATOM 473 CA THR A 32 -2.516 9.985 -0.381 1.00 1.00 C ATOM 474 C THR A 32 -1.806 8.643 -0.192 1.00 1.00 C ATOM 475 O THR A 32 -1.958 7.996 0.843 1.00 1.00 O ATOM 476 CB THR A 32 -3.901 9.856 -1.019 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.184 11.166 -1.503 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.999 9.594 0.014 1.00 1.00 C ATOM 0 H THR A 32 -2.255 11.441 -1.865 1.00 1.00 H new ATOM 0 HA THR A 32 -2.641 10.394 0.622 1.00 1.00 H new ATOM 0 HB THR A 32 -3.890 9.047 -1.750 1.00 1.00 H new ATOM 0 HG1 THR A 32 -4.643 11.680 -0.806 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.961 9.511 -0.491 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.786 8.666 0.544 1.00 1.00 H new ATOM 0 HG23 THR A 32 -5.033 10.419 0.726 1.00 1.00 H new ATOM 486 N CYS A 33 -1.046 8.264 -1.209 1.00 1.00 N ATOM 487 CA CYS A 33 -0.312 7.011 -1.169 1.00 1.00 C ATOM 488 C CYS A 33 1.184 7.331 -1.124 1.00 1.00 C ATOM 489 O CYS A 33 1.903 6.861 -0.246 1.00 1.00 O ATOM 490 CB CYS A 33 -0.667 6.109 -2.352 1.00 1.00 C ATOM 491 SG CYS A 33 -1.737 4.734 -1.791 1.00 1.00 S ATOM 0 H CYS A 33 -0.923 8.803 -2.066 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.590 6.453 -0.275 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.178 6.688 -3.121 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.242 5.712 -2.803 1.00 1.00 H new ATOM 496 N HIS A 34 1.616 8.139 -2.093 1.00 1.00 N ATOM 497 CA HIS A 34 3.009 8.556 -2.214 1.00 1.00 C ATOM 498 C HIS A 34 3.274 9.760 -1.292 1.00 1.00 C ATOM 499 O HIS A 34 3.403 10.889 -1.761 1.00 1.00 O ATOM 500 CB HIS A 34 3.324 8.812 -3.695 1.00 1.00 C ATOM 501 CG HIS A 34 3.282 7.615 -4.616 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.288 6.740 -4.706 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.315 7.176 -5.489 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.962 5.793 -5.599 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.753 6.014 -6.113 1.00 1.00 N ATOM 0 H HIS A 34 1.007 8.522 -2.816 1.00 1.00 H new ATOM 0 HA HIS A 34 3.691 7.773 -1.880 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.619 9.554 -4.069 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.317 9.256 -3.759 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.162 6.785 -4.181 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.364 7.658 -5.663 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.596 4.961 -5.866 1.00 1.00 H new ATOM 513 N HIS A 35 3.349 9.477 0.009 1.00 1.00 N ATOM 514 CA HIS A 35 3.595 10.492 1.027 1.00 1.00 C ATOM 515 C HIS A 35 4.825 11.333 0.637 1.00 1.00 C ATOM 516 O HIS A 35 5.629 10.905 -0.190 1.00 1.00 O ATOM 517 CB HIS A 35 3.708 9.805 2.396 1.00 1.00 C ATOM 518 CG HIS A 35 5.005 9.088 2.692 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.187 9.712 2.697 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.266 7.773 2.995 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.147 8.821 2.990 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.632 7.607 3.184 1.00 1.00 N ATOM 0 H HIS A 35 3.240 8.535 0.384 1.00 1.00 H new ATOM 0 HA HIS A 35 2.766 11.196 1.098 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.552 10.558 3.168 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.894 9.085 2.484 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.335 10.703 2.509 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.525 6.991 3.074 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.199 9.057 3.059 1.00 1.00 H new ATOM 530 N LEU A 36 4.928 12.503 1.248 1.00 1.00 N ATOM 531 CA LEU A 36 6.041 13.396 0.974 1.00 1.00 C ATOM 532 C LEU A 36 7.233 13.002 1.849 1.00 1.00 C ATOM 533 O LEU A 36 7.059 12.387 2.899 1.00 1.00 O ATOM 534 CB LEU A 36 5.611 14.855 1.139 1.00 1.00 C ATOM 535 CG LEU A 36 4.182 15.187 0.707 1.00 1.00 C ATOM 536 CD1 LEU A 36 4.005 16.693 0.508 1.00 1.00 C ATOM 537 CD2 LEU A 36 3.789 14.394 -0.541 1.00 1.00 C ATOM 0 H LEU A 36 4.258 12.854 1.933 1.00 1.00 H new ATOM 0 HA LEU A 36 6.361 13.299 -0.063 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.725 15.130 2.187 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.297 15.482 0.568 1.00 1.00 H new ATOM 0 HG LEU A 36 3.505 14.886 1.507 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.980 16.901 0.201 1.00 1.00 H new ATOM 0 HD12 LEU A 36 4.216 17.211 1.444 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.693 17.041 -0.263 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.769 14.648 -0.827 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.467 14.641 -1.358 1.00 1.00 H new ATOM 0 HD23 LEU A 36 3.851 13.327 -0.328 1.00 1.00 H new ATOM 549 N VAL A 37 8.416 13.375 1.383 1.00 1.00 N ATOM 550 CA VAL A 37 9.636 13.068 2.110 1.00 1.00 C ATOM 551 C VAL A 37 10.399 14.365 2.388 1.00 1.00 C ATOM 552 O VAL A 37 10.892 15.009 1.464 1.00 1.00 O ATOM 553 CB VAL A 37 10.465 12.042 1.334 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.771 11.727 2.064 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.658 10.767 1.078 1.00 1.00 C ATOM 0 H VAL A 37 8.555 13.887 0.512 1.00 1.00 H new ATOM 0 HA VAL A 37 9.402 12.615 3.073 1.00 1.00 H new ATOM 0 HB VAL A 37 10.719 12.478 0.368 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.341 10.995 1.491 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.357 12.640 2.172 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.548 11.321 3.051 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.270 10.054 0.525 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.360 10.328 2.030 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.769 11.010 0.496 1.00 1.00 H new ATOM 565 N ASP A 38 10.471 14.710 3.665 1.00 1.00 N ATOM 566 CA ASP A 38 11.165 15.918 4.076 1.00 1.00 C ATOM 567 C ASP A 38 10.578 17.117 3.328 1.00 1.00 C ATOM 568 O ASP A 38 11.314 17.997 2.884 1.00 1.00 O ATOM 569 CB ASP A 38 12.656 15.837 3.744 1.00 1.00 C ATOM 570 CG ASP A 38 13.588 16.414 4.812 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.481 17.591 5.186 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.467 15.588 5.271 1.00 1.00 O ATOM 0 H ASP A 38 10.060 14.174 4.429 1.00 1.00 H new ATOM 0 HA ASP A 38 11.042 16.028 5.153 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.920 14.792 3.579 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.833 16.363 2.806 1.00 1.00 H new ATOM 578 N GLY A 39 9.258 17.114 3.212 1.00 1.00 N ATOM 579 CA GLY A 39 8.565 18.191 2.526 1.00 1.00 C ATOM 580 C GLY A 39 9.128 18.395 1.118 1.00 1.00 C ATOM 581 O GLY A 39 9.243 19.527 0.650 1.00 1.00 O ATOM 0 H GLY A 39 8.650 16.383 3.582 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.501 17.964 2.467 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.663 19.114 3.098 1.00 1.00 H new ATOM 585 N LYS A 40 9.463 17.283 0.481 1.00 1.00 N ATOM 586 CA LYS A 40 10.010 17.326 -0.864 1.00 1.00 C ATOM 587 C LYS A 40 9.341 16.247 -1.717 1.00 1.00 C ATOM 588 O LYS A 40 9.355 15.070 -1.359 1.00 1.00 O ATOM 589 CB LYS A 40 11.536 17.220 -0.824 1.00 1.00 C ATOM 590 CG LYS A 40 12.141 17.492 -2.204 1.00 1.00 C ATOM 591 CD LYS A 40 12.424 16.184 -2.945 1.00 1.00 C ATOM 592 CE LYS A 40 13.819 15.654 -2.608 1.00 1.00 C ATOM 593 NZ LYS A 40 13.966 14.254 -3.063 1.00 1.00 N ATOM 0 H LYS A 40 9.366 16.346 0.872 1.00 1.00 H new ATOM 0 HA LYS A 40 9.791 18.285 -1.334 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.935 17.932 -0.101 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.826 16.225 -0.485 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.457 18.106 -2.790 1.00 1.00 H new ATOM 0 HG3 LYS A 40 13.065 18.060 -2.095 1.00 1.00 H new ATOM 0 HD2 LYS A 40 11.674 15.440 -2.677 1.00 1.00 H new ATOM 0 HD3 LYS A 40 12.342 16.346 -4.020 1.00 1.00 H new ATOM 0 HE2 LYS A 40 14.576 16.278 -3.083 1.00 1.00 H new ATOM 0 HE3 LYS A 40 13.987 15.712 -1.533 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 14.919 13.910 -2.826 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 13.256 13.659 -2.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 13.827 14.207 -4.093 1.00 1.00 H new ATOM 606 N GLU A 41 8.772 16.686 -2.830 1.00 1.00 N ATOM 607 CA GLU A 41 8.099 15.772 -3.737 1.00 1.00 C ATOM 608 C GLU A 41 8.953 14.523 -3.963 1.00 1.00 C ATOM 609 O GLU A 41 10.128 14.625 -4.312 1.00 1.00 O ATOM 610 CB GLU A 41 7.771 16.459 -5.064 1.00 1.00 C ATOM 611 CG GLU A 41 6.648 17.484 -4.888 1.00 1.00 C ATOM 612 CD GLU A 41 7.116 18.884 -5.291 1.00 1.00 C ATOM 613 OE1 GLU A 41 7.238 19.176 -6.490 1.00 1.00 O ATOM 614 OE2 GLU A 41 7.355 19.683 -4.307 1.00 1.00 O ATOM 0 H GLU A 41 8.763 17.663 -3.124 1.00 1.00 H new ATOM 0 HA GLU A 41 7.157 15.467 -3.281 1.00 1.00 H new ATOM 0 HB2 GLU A 41 8.662 16.953 -5.452 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.475 15.712 -5.801 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.789 17.195 -5.494 1.00 1.00 H new ATOM 0 HG3 GLU A 41 6.317 17.492 -3.849 1.00 1.00 H new ATOM 622 N SER A 42 8.329 13.373 -3.755 1.00 1.00 N ATOM 623 CA SER A 42 9.018 12.105 -3.932 1.00 1.00 C ATOM 624 C SER A 42 8.087 11.093 -4.602 1.00 1.00 C ATOM 625 O SER A 42 6.867 11.135 -4.461 1.00 1.00 O ATOM 626 CB SER A 42 9.520 11.560 -2.593 1.00 1.00 C ATOM 627 OG SER A 42 10.174 10.303 -2.741 1.00 1.00 O ATOM 0 H SER A 42 7.354 13.292 -3.466 1.00 1.00 H new ATOM 0 HA SER A 42 9.884 12.272 -4.573 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.208 12.277 -2.145 1.00 1.00 H new ATOM 0 HB3 SER A 42 8.680 11.453 -1.907 1.00 1.00 H new ATOM 0 HG SER A 42 10.481 9.989 -1.865 1.00 1.00 H new ATOM 633 N TYR A 43 8.699 10.169 -5.345 1.00 1.00 N ATOM 634 CA TYR A 43 7.958 9.140 -6.047 1.00 1.00 C ATOM 635 C TYR A 43 8.864 7.947 -6.320 1.00 1.00 C ATOM 636 O TYR A 43 8.888 7.467 -7.452 1.00 1.00 O ATOM 637 CB TYR A 43 7.408 9.711 -7.350 1.00 1.00 C ATOM 638 CG TYR A 43 6.212 10.613 -7.156 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.398 11.960 -6.821 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.918 10.102 -7.310 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.290 12.796 -6.641 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.809 10.938 -7.130 1.00 1.00 C ATOM 643 CZ TYR A 43 3.996 12.285 -6.796 1.00 1.00 C ATOM 644 OH TYR A 43 2.916 13.100 -6.621 1.00 1.00 O ATOM 0 H TYR A 43 9.710 10.119 -5.471 1.00 1.00 H new ATOM 0 HA TYR A 43 7.123 8.803 -5.432 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.197 10.270 -7.854 1.00 1.00 H new ATOM 0 HB3 TYR A 43 7.130 8.888 -8.009 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.397 12.354 -6.702 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.775 9.063 -7.568 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.433 13.835 -6.383 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.810 10.544 -7.249 1.00 1.00 H new ATOM 0 HH TYR A 43 2.179 12.793 -7.189 1.00 1.00 H new ATOM 654 N ALA A 44 9.579 7.499 -5.299 1.00 1.00 N ATOM 655 CA ALA A 44 10.475 6.365 -5.453 1.00 1.00 C ATOM 656 C ALA A 44 9.777 5.098 -4.955 1.00 1.00 C ATOM 657 O ALA A 44 8.965 5.154 -4.033 1.00 1.00 O ATOM 658 CB ALA A 44 11.782 6.642 -4.709 1.00 1.00 C ATOM 0 H ALA A 44 9.556 7.901 -4.362 1.00 1.00 H new ATOM 0 HA ALA A 44 10.724 6.213 -6.503 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.454 5.791 -4.825 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.253 7.535 -5.121 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.572 6.797 -3.651 1.00 1.00 H new ATOM 664 N LYS A 45 10.120 3.985 -5.586 1.00 1.00 N ATOM 665 CA LYS A 45 9.537 2.706 -5.218 1.00 1.00 C ATOM 666 C LYS A 45 9.461 2.605 -3.693 1.00 1.00 C ATOM 667 O LYS A 45 10.259 3.219 -2.986 1.00 1.00 O ATOM 668 CB LYS A 45 10.307 1.558 -5.873 1.00 1.00 C ATOM 669 CG LYS A 45 11.726 1.456 -5.309 1.00 1.00 C ATOM 670 CD LYS A 45 12.538 0.397 -6.055 1.00 1.00 C ATOM 671 CE LYS A 45 12.046 -1.012 -5.716 1.00 1.00 C ATOM 672 NZ LYS A 45 12.719 -2.016 -6.570 1.00 1.00 N ATOM 0 H LYS A 45 10.794 3.942 -6.350 1.00 1.00 H new ATOM 0 HA LYS A 45 8.517 2.630 -5.594 1.00 1.00 H new ATOM 0 HB2 LYS A 45 9.778 0.620 -5.707 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.351 1.713 -6.951 1.00 1.00 H new ATOM 0 HG2 LYS A 45 12.223 2.423 -5.388 1.00 1.00 H new ATOM 0 HG3 LYS A 45 11.683 1.206 -4.249 1.00 1.00 H new ATOM 0 HD2 LYS A 45 12.460 0.564 -7.129 1.00 1.00 H new ATOM 0 HD3 LYS A 45 13.592 0.491 -5.793 1.00 1.00 H new ATOM 0 HE2 LYS A 45 12.242 -1.229 -4.666 1.00 1.00 H new ATOM 0 HE3 LYS A 45 10.967 -1.070 -5.857 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 12.373 -2.966 -6.327 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 12.511 -1.817 -7.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 13.746 -1.971 -6.415 1.00 1.00 H new ATOM 685 N CYS A 46 8.495 1.825 -3.231 1.00 1.00 N ATOM 686 CA CYS A 46 8.305 1.635 -1.803 1.00 1.00 C ATOM 687 C CYS A 46 9.654 1.266 -1.183 1.00 1.00 C ATOM 688 O CYS A 46 9.975 1.704 -0.079 1.00 1.00 O ATOM 689 CB CYS A 46 7.235 0.581 -1.510 1.00 1.00 C ATOM 690 SG CYS A 46 5.818 1.182 -0.520 1.00 1.00 S ATOM 0 H CYS A 46 7.835 1.317 -3.820 1.00 1.00 H new ATOM 0 HA CYS A 46 7.942 2.561 -1.356 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.860 0.191 -2.456 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.700 -0.253 -0.984 1.00 1.00 H new ATOM 695 N GLY A 47 10.409 0.465 -1.921 1.00 1.00 N ATOM 696 CA GLY A 47 11.716 0.032 -1.458 1.00 1.00 C ATOM 697 C GLY A 47 12.833 0.762 -2.208 1.00 1.00 C ATOM 698 O GLY A 47 13.642 0.133 -2.888 1.00 1.00 O ATOM 0 H GLY A 47 10.140 0.105 -2.837 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.808 0.221 -0.388 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.819 -1.044 -1.602 1.00 1.00 H new ATOM 702 N SER A 48 12.840 2.078 -2.058 1.00 1.00 N ATOM 703 CA SER A 48 13.844 2.900 -2.712 1.00 1.00 C ATOM 704 C SER A 48 14.998 3.183 -1.748 1.00 1.00 C ATOM 705 O SER A 48 14.891 2.919 -0.552 1.00 1.00 O ATOM 706 CB SER A 48 13.239 4.212 -3.215 1.00 1.00 C ATOM 707 OG SER A 48 14.236 5.115 -3.685 1.00 1.00 O ATOM 0 H SER A 48 12.167 2.596 -1.493 1.00 1.00 H new ATOM 0 HA SER A 48 14.225 2.353 -3.574 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.533 4.001 -4.019 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.674 4.683 -2.410 1.00 1.00 H new ATOM 0 HG SER A 48 14.099 5.995 -3.276 1.00 1.00 H new ATOM 713 N SER A 49 16.075 3.716 -2.306 1.00 1.00 N ATOM 714 CA SER A 49 17.248 4.038 -1.511 1.00 1.00 C ATOM 715 C SER A 49 16.847 4.895 -0.309 1.00 1.00 C ATOM 716 O SER A 49 16.109 5.869 -0.455 1.00 1.00 O ATOM 717 CB SER A 49 18.302 4.762 -2.352 1.00 1.00 C ATOM 718 OG SER A 49 19.052 3.860 -3.161 1.00 1.00 O ATOM 0 H SER A 49 16.160 3.933 -3.299 1.00 1.00 H new ATOM 0 HA SER A 49 17.685 3.106 -1.154 1.00 1.00 H new ATOM 0 HB2 SER A 49 17.814 5.500 -2.989 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.979 5.307 -1.694 1.00 1.00 H new ATOM 0 HG SER A 49 19.713 4.361 -3.683 1.00 1.00 H new ATOM 724 N GLY A 50 17.349 4.502 0.852 1.00 1.00 N ATOM 725 CA GLY A 50 17.052 5.222 2.078 1.00 1.00 C ATOM 726 C GLY A 50 15.544 5.283 2.327 1.00 1.00 C ATOM 727 O GLY A 50 15.015 6.327 2.704 1.00 1.00 O ATOM 0 H GLY A 50 17.960 3.694 0.970 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.543 4.733 2.919 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.455 6.233 2.017 1.00 1.00 H new ATOM 731 N CYS A 51 14.894 4.150 2.106 1.00 1.00 N ATOM 732 CA CYS A 51 13.457 4.061 2.302 1.00 1.00 C ATOM 733 C CYS A 51 13.143 2.710 2.949 1.00 1.00 C ATOM 734 O CYS A 51 13.922 2.200 3.751 1.00 1.00 O ATOM 735 CB CYS A 51 12.694 4.256 0.989 1.00 1.00 C ATOM 736 SG CYS A 51 13.369 5.694 0.082 1.00 1.00 S ATOM 0 H CYS A 51 15.336 3.286 1.793 1.00 1.00 H new ATOM 0 HA CYS A 51 13.127 4.864 2.961 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.774 3.358 0.376 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.634 4.409 1.194 1.00 1.00 H new ATOM 741 N HIS A 52 11.987 2.161 2.575 1.00 1.00 N ATOM 742 CA HIS A 52 11.518 0.878 3.085 1.00 1.00 C ATOM 743 C HIS A 52 12.006 -0.257 2.166 1.00 1.00 C ATOM 744 O HIS A 52 11.212 -0.843 1.431 1.00 1.00 O ATOM 745 CB HIS A 52 9.993 0.939 3.258 1.00 1.00 C ATOM 746 CG HIS A 52 9.418 2.244 3.756 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.442 2.597 5.045 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.799 3.275 3.089 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.861 3.799 5.176 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.446 4.264 3.999 1.00 1.00 N ATOM 0 H HIS A 52 11.350 2.597 1.908 1.00 1.00 H new ATOM 0 HA HIS A 52 11.936 0.663 4.068 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.532 0.709 2.297 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.697 0.151 3.950 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.837 2.043 5.805 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.616 3.310 2.025 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.745 4.322 6.114 1.00 1.00 H new ATOM 758 N ASP A 53 13.301 -0.529 2.239 1.00 1.00 N ATOM 759 CA ASP A 53 13.892 -1.578 1.426 1.00 1.00 C ATOM 760 C ASP A 53 14.563 -2.607 2.339 1.00 1.00 C ATOM 761 O ASP A 53 15.694 -3.022 2.087 1.00 1.00 O ATOM 762 CB ASP A 53 14.960 -1.012 0.488 1.00 1.00 C ATOM 763 CG ASP A 53 16.251 -0.562 1.174 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.227 -0.031 2.294 1.00 1.00 O ATOM 765 OD2 ASP A 53 17.330 -0.777 0.500 1.00 1.00 O ATOM 0 H ASP A 53 13.957 -0.041 2.849 1.00 1.00 H new ATOM 0 HA ASP A 53 13.098 -2.035 0.835 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.207 -1.769 -0.256 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.537 -0.163 -0.049 1.00 1.00 H new ATOM 771 N ASP A 54 13.838 -2.990 3.379 1.00 1.00 N ATOM 772 CA ASP A 54 14.349 -3.963 4.330 1.00 1.00 C ATOM 773 C ASP A 54 13.180 -4.752 4.924 1.00 1.00 C ATOM 774 O ASP A 54 12.561 -4.316 5.893 1.00 1.00 O ATOM 775 CB ASP A 54 15.087 -3.274 5.480 1.00 1.00 C ATOM 776 CG ASP A 54 15.377 -4.166 6.688 1.00 1.00 C ATOM 777 OD1 ASP A 54 14.498 -4.898 7.168 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.580 -4.088 7.147 1.00 1.00 O ATOM 0 H ASP A 54 12.901 -2.644 3.584 1.00 1.00 H new ATOM 0 HA ASP A 54 15.039 -4.621 3.801 1.00 1.00 H new ATOM 0 HB2 ASP A 54 16.031 -2.881 5.102 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.496 -2.420 5.811 1.00 1.00 H new ATOM 784 N LEU A 55 12.913 -5.899 4.317 1.00 1.00 N ATOM 785 CA LEU A 55 11.829 -6.753 4.774 1.00 1.00 C ATOM 786 C LEU A 55 12.384 -7.802 5.739 1.00 1.00 C ATOM 787 O LEU A 55 11.743 -8.821 5.989 1.00 1.00 O ATOM 788 CB LEU A 55 11.079 -7.350 3.582 1.00 1.00 C ATOM 789 CG LEU A 55 11.942 -8.039 2.523 1.00 1.00 C ATOM 790 CD1 LEU A 55 11.553 -9.511 2.372 1.00 1.00 C ATOM 791 CD2 LEU A 55 11.878 -7.290 1.191 1.00 1.00 C ATOM 0 H LEU A 55 13.428 -6.257 3.513 1.00 1.00 H new ATOM 0 HA LEU A 55 11.092 -6.170 5.326 1.00 1.00 H new ATOM 0 HB2 LEU A 55 10.355 -8.073 3.959 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.513 -6.554 3.099 1.00 1.00 H new ATOM 0 HG LEU A 55 12.979 -8.012 2.857 1.00 1.00 H new ATOM 0 HD11 LEU A 55 12.181 -9.977 1.613 1.00 1.00 H new ATOM 0 HD12 LEU A 55 11.692 -10.024 3.324 1.00 1.00 H new ATOM 0 HD13 LEU A 55 10.508 -9.582 2.071 1.00 1.00 H new ATOM 0 HD21 LEU A 55 12.500 -7.801 0.456 1.00 1.00 H new ATOM 0 HD22 LEU A 55 10.847 -7.263 0.838 1.00 1.00 H new ATOM 0 HD23 LEU A 55 12.241 -6.271 1.328 1.00 1.00 H new ATOM 803 N THR A 56 13.571 -7.516 6.256 1.00 1.00 N ATOM 804 CA THR A 56 14.219 -8.422 7.188 1.00 1.00 C ATOM 805 C THR A 56 13.689 -8.198 8.606 1.00 1.00 C ATOM 806 O THR A 56 13.945 -9.001 9.502 1.00 1.00 O ATOM 807 CB THR A 56 15.731 -8.223 7.066 1.00 1.00 C ATOM 808 OG1 THR A 56 16.264 -9.540 7.175 1.00 1.00 O ATOM 809 CG2 THR A 56 16.323 -7.481 8.266 1.00 1.00 C ATOM 0 H THR A 56 14.100 -6.669 6.047 1.00 1.00 H new ATOM 0 HA THR A 56 13.993 -9.462 6.951 1.00 1.00 H new ATOM 0 HB THR A 56 15.952 -7.670 6.153 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.241 -9.504 7.105 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.398 -7.366 8.129 1.00 1.00 H new ATOM 0 HG22 THR A 56 15.861 -6.497 8.350 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.132 -8.050 9.176 1.00 1.00 H new ATOM 817 N ALA A 57 12.961 -7.103 8.764 1.00 1.00 N ATOM 818 CA ALA A 57 12.392 -6.763 10.058 1.00 1.00 C ATOM 819 C ALA A 57 10.901 -7.102 10.060 1.00 1.00 C ATOM 820 O ALA A 57 10.346 -7.485 9.031 1.00 1.00 O ATOM 821 CB ALA A 57 12.655 -5.286 10.359 1.00 1.00 C ATOM 0 H ALA A 57 12.752 -6.439 8.018 1.00 1.00 H new ATOM 0 HA ALA A 57 12.863 -7.346 10.849 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.228 -5.031 11.329 1.00 1.00 H new ATOM 0 HB2 ALA A 57 13.730 -5.104 10.376 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.195 -4.670 9.587 1.00 1.00 H new ATOM 827 N LYS A 58 10.293 -6.950 11.227 1.00 1.00 N ATOM 828 CA LYS A 58 8.877 -7.236 11.377 1.00 1.00 C ATOM 829 C LYS A 58 8.128 -5.937 11.683 1.00 1.00 C ATOM 830 O LYS A 58 6.899 -5.899 11.639 1.00 1.00 O ATOM 831 CB LYS A 58 8.658 -8.332 12.422 1.00 1.00 C ATOM 832 CG LYS A 58 7.700 -9.405 11.899 1.00 1.00 C ATOM 833 CD LYS A 58 6.661 -9.775 12.959 1.00 1.00 C ATOM 834 CE LYS A 58 6.047 -11.146 12.669 1.00 1.00 C ATOM 835 NZ LYS A 58 5.551 -11.766 13.918 1.00 1.00 N ATOM 0 H LYS A 58 10.756 -6.632 12.078 1.00 1.00 H new ATOM 0 HA LYS A 58 8.468 -7.629 10.446 1.00 1.00 H new ATOM 0 HB2 LYS A 58 9.613 -8.788 12.682 1.00 1.00 H new ATOM 0 HB3 LYS A 58 8.255 -7.894 13.335 1.00 1.00 H new ATOM 0 HG2 LYS A 58 7.197 -9.043 11.002 1.00 1.00 H new ATOM 0 HG3 LYS A 58 8.264 -10.292 11.612 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.128 -9.782 13.944 1.00 1.00 H new ATOM 0 HD3 LYS A 58 5.876 -9.019 12.984 1.00 1.00 H new ATOM 0 HE2 LYS A 58 5.228 -11.041 11.958 1.00 1.00 H new ATOM 0 HE3 LYS A 58 6.791 -11.794 12.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 5.137 -12.696 13.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 6.341 -11.884 14.585 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 4.826 -11.155 14.345 1.00 1.00 H new ATOM 848 N LYS A 59 8.901 -4.904 11.987 1.00 1.00 N ATOM 849 CA LYS A 59 8.326 -3.607 12.300 1.00 1.00 C ATOM 850 C LYS A 59 9.448 -2.574 12.427 1.00 1.00 C ATOM 851 O LYS A 59 10.476 -2.842 13.047 1.00 1.00 O ATOM 852 CB LYS A 59 7.434 -3.701 13.540 1.00 1.00 C ATOM 853 CG LYS A 59 8.267 -3.961 14.797 1.00 1.00 C ATOM 854 CD LYS A 59 7.496 -3.566 16.057 1.00 1.00 C ATOM 855 CE LYS A 59 7.957 -4.389 17.262 1.00 1.00 C ATOM 856 NZ LYS A 59 7.000 -5.484 17.539 1.00 1.00 N ATOM 0 H LYS A 59 9.920 -4.939 12.023 1.00 1.00 H new ATOM 0 HA LYS A 59 7.675 -3.274 11.492 1.00 1.00 H new ATOM 0 HB2 LYS A 59 6.871 -2.775 13.658 1.00 1.00 H new ATOM 0 HB3 LYS A 59 6.707 -4.502 13.409 1.00 1.00 H new ATOM 0 HG2 LYS A 59 8.537 -5.016 14.847 1.00 1.00 H new ATOM 0 HG3 LYS A 59 9.198 -3.396 14.744 1.00 1.00 H new ATOM 0 HD2 LYS A 59 7.642 -2.505 16.259 1.00 1.00 H new ATOM 0 HD3 LYS A 59 6.428 -3.716 15.897 1.00 1.00 H new ATOM 0 HE2 LYS A 59 8.947 -4.803 17.070 1.00 1.00 H new ATOM 0 HE3 LYS A 59 8.045 -3.745 18.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 7.328 -6.032 18.360 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 6.063 -5.082 17.743 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 6.936 -6.107 16.709 1.00 1.00 H new ATOM 869 N GLY A 60 9.212 -1.415 11.830 1.00 1.00 N ATOM 870 CA GLY A 60 10.190 -0.341 11.868 1.00 1.00 C ATOM 871 C GLY A 60 10.029 0.590 10.665 1.00 1.00 C ATOM 872 O GLY A 60 9.464 0.200 9.645 1.00 1.00 O ATOM 0 H GLY A 60 8.358 -1.196 11.317 1.00 1.00 H new ATOM 0 HA2 GLY A 60 10.075 0.228 12.791 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.196 -0.761 11.876 1.00 1.00 H new ATOM 876 N GLU A 61 10.536 1.804 10.825 1.00 1.00 N ATOM 877 CA GLU A 61 10.455 2.794 9.765 1.00 1.00 C ATOM 878 C GLU A 61 11.163 2.285 8.508 1.00 1.00 C ATOM 879 O GLU A 61 10.985 2.837 7.424 1.00 1.00 O ATOM 880 CB GLU A 61 11.040 4.133 10.219 1.00 1.00 C ATOM 881 CG GLU A 61 12.402 3.937 10.888 1.00 1.00 C ATOM 882 CD GLU A 61 12.419 4.553 12.289 1.00 1.00 C ATOM 883 OE1 GLU A 61 12.083 3.872 13.269 1.00 1.00 O ATOM 884 OE2 GLU A 61 12.798 5.785 12.338 1.00 1.00 O ATOM 0 H GLU A 61 11.004 2.124 11.673 1.00 1.00 H new ATOM 0 HA GLU A 61 9.404 2.956 9.526 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.144 4.798 9.362 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.355 4.616 10.916 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.630 2.873 10.952 1.00 1.00 H new ATOM 0 HG3 GLU A 61 13.180 4.394 10.277 1.00 1.00 H new ATOM 892 N LYS A 62 11.951 1.236 8.695 1.00 1.00 N ATOM 893 CA LYS A 62 12.687 0.646 7.590 1.00 1.00 C ATOM 894 C LYS A 62 12.126 -0.747 7.295 1.00 1.00 C ATOM 895 O LYS A 62 12.883 -1.690 7.072 1.00 1.00 O ATOM 896 CB LYS A 62 14.189 0.655 7.880 1.00 1.00 C ATOM 897 CG LYS A 62 14.589 1.907 8.665 1.00 1.00 C ATOM 898 CD LYS A 62 15.839 2.554 8.065 1.00 1.00 C ATOM 899 CE LYS A 62 16.618 3.329 9.128 1.00 1.00 C ATOM 900 NZ LYS A 62 18.074 3.223 8.885 1.00 1.00 N ATOM 0 H LYS A 62 12.096 0.780 9.596 1.00 1.00 H new ATOM 0 HA LYS A 62 12.557 1.241 6.686 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.459 -0.236 8.447 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.744 0.616 6.943 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.767 2.622 8.659 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.775 1.644 9.706 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.477 1.785 7.629 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.552 3.226 7.256 1.00 1.00 H new ATOM 0 HE2 LYS A 62 16.317 4.377 9.116 1.00 1.00 H new ATOM 0 HE3 LYS A 62 16.379 2.940 10.118 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 18.588 3.755 9.616 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 18.360 2.224 8.919 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 18.299 3.616 7.949 1.00 1.00 H new ATOM 913 N SER A 63 10.804 -0.831 7.304 1.00 1.00 N ATOM 914 CA SER A 63 10.132 -2.092 7.041 1.00 1.00 C ATOM 915 C SER A 63 8.964 -1.872 6.078 1.00 1.00 C ATOM 916 O SER A 63 8.264 -0.865 6.166 1.00 1.00 O ATOM 917 CB SER A 63 9.638 -2.734 8.339 1.00 1.00 C ATOM 918 OG SER A 63 9.533 -4.151 8.227 1.00 1.00 O ATOM 0 H SER A 63 10.180 -0.046 7.489 1.00 1.00 H new ATOM 0 HA SER A 63 10.849 -2.772 6.582 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.322 -2.484 9.150 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.665 -2.318 8.602 1.00 1.00 H new ATOM 0 HG SER A 63 9.216 -4.524 9.076 1.00 1.00 H new ATOM 924 N LEU A 64 8.789 -2.832 5.181 1.00 1.00 N ATOM 925 CA LEU A 64 7.717 -2.755 4.203 1.00 1.00 C ATOM 926 C LEU A 64 6.572 -3.674 4.635 1.00 1.00 C ATOM 927 O LEU A 64 5.925 -4.335 3.825 1.00 1.00 O ATOM 928 CB LEU A 64 8.250 -3.053 2.800 1.00 1.00 C ATOM 929 CG LEU A 64 7.257 -2.862 1.651 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.861 -1.391 1.508 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.812 -3.436 0.346 1.00 1.00 C ATOM 0 H LEU A 64 9.371 -3.667 5.111 1.00 1.00 H new ATOM 0 HA LEU A 64 7.314 -1.743 4.157 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.114 -2.414 2.618 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.606 -4.083 2.779 1.00 1.00 H new ATOM 0 HG LEU A 64 6.350 -3.418 1.887 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.155 -1.283 0.685 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.396 -1.048 2.432 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.749 -0.793 1.305 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.087 -3.287 -0.454 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.742 -2.928 0.092 1.00 1.00 H new ATOM 0 HD23 LEU A 64 8.003 -4.502 0.469 1.00 1.00 H new ATOM 943 N TYR A 65 6.335 -3.702 5.948 1.00 1.00 N ATOM 944 CA TYR A 65 5.286 -4.524 6.517 1.00 1.00 C ATOM 945 C TYR A 65 4.439 -3.693 7.470 1.00 1.00 C ATOM 946 O TYR A 65 3.226 -3.877 7.548 1.00 1.00 O ATOM 947 CB TYR A 65 5.910 -5.712 7.243 1.00 1.00 C ATOM 948 CG TYR A 65 5.018 -6.304 8.308 1.00 1.00 C ATOM 949 CD1 TYR A 65 4.087 -7.293 7.970 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.122 -5.864 9.632 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.259 -7.842 8.957 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.294 -6.412 10.620 1.00 1.00 C ATOM 953 CZ TYR A 65 3.363 -7.402 10.282 1.00 1.00 C ATOM 954 OH TYR A 65 2.556 -7.936 11.243 1.00 1.00 O ATOM 0 H TYR A 65 6.862 -3.160 6.632 1.00 1.00 H new ATOM 0 HA TYR A 65 4.641 -4.899 5.723 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.155 -6.485 6.514 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.848 -5.396 7.700 1.00 1.00 H new ATOM 0 HD1 TYR A 65 4.007 -7.633 6.948 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.841 -5.101 9.892 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.540 -8.605 8.696 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.374 -6.071 11.642 1.00 1.00 H new ATOM 0 HH TYR A 65 2.758 -7.521 12.107 1.00 1.00 H new ATOM 964 N TYR A 66 5.082 -2.776 8.197 1.00 1.00 N ATOM 965 CA TYR A 66 4.386 -1.925 9.140 1.00 1.00 C ATOM 966 C TYR A 66 3.875 -0.678 8.432 1.00 1.00 C ATOM 967 O TYR A 66 3.226 0.146 9.073 1.00 1.00 O ATOM 968 CB TYR A 66 5.331 -1.551 10.279 1.00 1.00 C ATOM 969 CG TYR A 66 4.710 -0.626 11.298 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.778 -1.123 12.218 1.00 1.00 C ATOM 971 CD2 TYR A 66 5.065 0.727 11.323 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.203 -0.265 13.164 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.490 1.585 12.269 1.00 1.00 C ATOM 974 CZ TYR A 66 3.559 1.089 13.189 1.00 1.00 C ATOM 975 OH TYR A 66 2.999 1.924 14.111 1.00 1.00 O ATOM 0 H TYR A 66 6.087 -2.611 8.144 1.00 1.00 H new ATOM 0 HA TYR A 66 3.531 -2.459 9.554 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.661 -2.461 10.780 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.219 -1.076 9.862 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.503 -2.167 12.198 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.783 1.110 10.613 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.485 -0.648 13.874 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.765 2.629 12.289 1.00 1.00 H new ATOM 0 HH TYR A 66 3.355 2.829 13.992 1.00 1.00 H new ATOM 985 N VAL A 67 4.172 -0.563 7.146 1.00 1.00 N ATOM 986 CA VAL A 67 3.732 0.588 6.376 1.00 1.00 C ATOM 987 C VAL A 67 2.816 0.120 5.244 1.00 1.00 C ATOM 988 O VAL A 67 2.376 0.924 4.424 1.00 1.00 O ATOM 989 CB VAL A 67 4.944 1.377 5.877 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.894 1.711 7.030 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.674 0.618 4.767 1.00 1.00 C ATOM 0 H VAL A 67 4.712 -1.248 6.618 1.00 1.00 H new ATOM 0 HA VAL A 67 3.153 1.267 7.002 1.00 1.00 H new ATOM 0 HB VAL A 67 4.583 2.316 5.458 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.747 2.272 6.648 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.368 2.311 7.772 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.244 0.788 7.492 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.531 1.201 4.430 1.00 1.00 H new ATOM 0 HG22 VAL A 67 6.017 -0.344 5.149 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.995 0.455 3.930 1.00 1.00 H new ATOM 1001 N VAL A 68 2.557 -1.179 5.234 1.00 1.00 N ATOM 1002 CA VAL A 68 1.701 -1.764 4.216 1.00 1.00 C ATOM 1003 C VAL A 68 0.316 -2.027 4.810 1.00 1.00 C ATOM 1004 O VAL A 68 -0.702 -1.702 4.202 1.00 1.00 O ATOM 1005 CB VAL A 68 2.355 -3.023 3.643 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.298 -4.014 3.150 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.339 -2.670 2.526 1.00 1.00 C ATOM 0 H VAL A 68 2.925 -1.843 5.915 1.00 1.00 H new ATOM 0 HA VAL A 68 1.571 -1.073 3.383 1.00 1.00 H new ATOM 0 HB VAL A 68 2.917 -3.503 4.444 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.789 -4.900 2.748 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.654 -4.302 3.981 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.697 -3.547 2.370 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.790 -3.583 2.136 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.810 -2.156 1.724 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.120 -2.020 2.921 1.00 1.00 H new ATOM 1017 N HIS A 69 0.318 -2.620 6.004 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.906 -2.951 6.726 1.00 1.00 C ATOM 1019 C HIS A 69 -1.208 -1.857 7.767 1.00 1.00 C ATOM 1020 O HIS A 69 -2.035 -0.981 7.521 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.770 -4.363 7.314 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.254 -5.439 6.386 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.050 -5.679 6.217 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.915 -6.334 5.580 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.195 -6.684 5.340 1.00 1.00 C ATOM 1026 NE2 HIS A 69 0.013 -7.126 4.915 1.00 1.00 N ATOM 0 H HIS A 69 1.171 -2.884 6.497 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.769 -2.972 6.060 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -0.105 -4.310 8.176 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.747 -4.673 7.684 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.810 -5.180 6.679 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.988 -6.410 5.479 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.147 -7.083 5.020 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.522 -1.946 8.897 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.709 -0.978 9.964 1.00 1.00 C ATOM 1036 C ALA A 70 -1.994 -0.187 9.710 1.00 1.00 C ATOM 1037 O ALA A 70 -1.969 0.848 9.045 1.00 1.00 O ATOM 1038 CB ALA A 70 0.522 -0.075 10.056 1.00 1.00 C ATOM 0 H ALA A 70 0.164 -2.674 9.097 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.816 -1.482 10.924 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.381 0.651 10.857 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.403 -0.681 10.267 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.660 0.449 9.111 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.086 -0.704 10.252 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.379 -0.059 10.092 1.00 1.00 C ATOM 1046 C ARG A 71 -4.661 0.866 11.278 1.00 1.00 C ATOM 1047 O ARG A 71 -5.812 1.207 11.543 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.501 -1.094 9.983 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.820 -1.702 11.351 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.801 -2.782 11.722 1.00 1.00 C ATOM 1051 NE ARG A 71 -5.461 -3.854 12.499 1.00 1.00 N ATOM 1052 CZ ARG A 71 -4.885 -5.039 12.794 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.631 -5.314 12.378 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -5.567 -5.925 13.496 1.00 1.00 N ATOM 0 H ARG A 71 -3.103 -1.562 10.803 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.347 0.524 9.172 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.395 -0.625 9.572 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.207 -1.882 9.290 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.819 -0.920 12.110 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -6.822 -2.131 11.338 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -4.355 -3.198 10.819 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -3.991 -2.344 12.306 1.00 1.00 H new ATOM 0 HE ARG A 71 -6.410 -3.688 12.833 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.111 -4.624 11.836 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.204 -6.212 12.605 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -6.514 -5.709 13.807 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -5.147 -6.825 13.727 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.589 1.245 11.959 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.707 2.125 13.110 1.00 1.00 C ATOM 1066 C GLY A 72 -3.398 3.573 12.727 1.00 1.00 C ATOM 1067 O GLY A 72 -3.568 3.964 11.573 1.00 1.00 O ATOM 0 H GLY A 72 -2.636 0.959 11.736 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.715 2.061 13.520 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.023 1.798 13.893 1.00 1.00 H new ATOM 1071 N GLU A 73 -2.949 4.331 13.717 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.615 5.728 13.499 1.00 1.00 C ATOM 1073 C GLU A 73 -1.130 5.871 13.159 1.00 1.00 C ATOM 1074 O GLU A 73 -0.282 5.866 14.050 1.00 1.00 O ATOM 1075 CB GLU A 73 -2.983 6.576 14.717 1.00 1.00 C ATOM 1076 CG GLU A 73 -2.331 6.026 15.987 1.00 1.00 C ATOM 1077 CD GLU A 73 -1.567 7.123 16.731 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -0.700 7.785 16.141 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -1.903 7.279 17.967 1.00 1.00 O ATOM 0 H GLU A 73 -2.809 4.003 14.673 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.198 6.094 12.654 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -2.664 7.606 14.557 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -4.066 6.593 14.838 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -3.096 5.604 16.639 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -1.650 5.215 15.728 1.00 1.00 H new ATOM 1087 N LEU A 74 -0.861 5.997 11.868 1.00 1.00 N ATOM 1088 CA LEU A 74 0.507 6.142 11.399 1.00 1.00 C ATOM 1089 C LEU A 74 0.733 7.582 10.936 1.00 1.00 C ATOM 1090 O LEU A 74 -0.194 8.391 10.937 1.00 1.00 O ATOM 1091 CB LEU A 74 0.820 5.095 10.328 1.00 1.00 C ATOM 1092 CG LEU A 74 0.582 3.637 10.725 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.680 2.714 9.509 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.533 3.211 11.845 1.00 1.00 C ATOM 0 H LEU A 74 -1.567 6.002 11.132 1.00 1.00 H new ATOM 0 HA LEU A 74 1.210 5.954 12.211 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.217 5.314 9.447 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.864 5.205 10.035 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.433 3.551 11.114 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.507 1.684 9.819 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.070 3.002 8.772 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.673 2.798 9.068 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.342 2.171 12.108 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.564 3.317 11.507 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.371 3.842 12.719 1.00 1.00 H new ATOM 1106 N LYS A 75 1.970 7.859 10.552 1.00 1.00 N ATOM 1107 CA LYS A 75 2.330 9.188 10.087 1.00 1.00 C ATOM 1108 C LYS A 75 1.412 9.585 8.929 1.00 1.00 C ATOM 1109 O LYS A 75 0.888 10.697 8.901 1.00 1.00 O ATOM 1110 CB LYS A 75 3.819 9.250 9.741 1.00 1.00 C ATOM 1111 CG LYS A 75 4.324 10.694 9.750 1.00 1.00 C ATOM 1112 CD LYS A 75 5.033 11.019 11.066 1.00 1.00 C ATOM 1113 CE LYS A 75 5.129 12.531 11.279 1.00 1.00 C ATOM 1114 NZ LYS A 75 4.420 12.926 12.516 1.00 1.00 N ATOM 0 H LYS A 75 2.736 7.186 10.553 1.00 1.00 H new ATOM 0 HA LYS A 75 2.180 9.922 10.879 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.388 8.658 10.458 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.986 8.808 8.759 1.00 1.00 H new ATOM 0 HG2 LYS A 75 5.009 10.849 8.916 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.487 11.377 9.606 1.00 1.00 H new ATOM 0 HD2 LYS A 75 4.492 10.565 11.896 1.00 1.00 H new ATOM 0 HD3 LYS A 75 6.033 10.585 11.061 1.00 1.00 H new ATOM 0 HE2 LYS A 75 6.175 12.830 11.341 1.00 1.00 H new ATOM 0 HE3 LYS A 75 4.699 13.053 10.424 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 4.495 13.955 12.646 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 3.418 12.658 12.442 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 4.848 12.442 13.331 1.00 1.00 H new ATOM 1127 N HIS A 76 1.245 8.653 8.002 1.00 1.00 N ATOM 1128 CA HIS A 76 0.400 8.891 6.845 1.00 1.00 C ATOM 1129 C HIS A 76 -0.807 7.950 6.888 1.00 1.00 C ATOM 1130 O HIS A 76 -1.233 7.531 7.963 1.00 1.00 O ATOM 1131 CB HIS A 76 1.204 8.764 5.549 1.00 1.00 C ATOM 1132 CG HIS A 76 1.020 9.922 4.598 1.00 1.00 C ATOM 1133 ND1 HIS A 76 0.052 9.933 3.609 1.00 1.00 N ATOM 1134 CD2 HIS A 76 1.690 11.106 4.495 1.00 1.00 C ATOM 1135 CE1 HIS A 76 0.145 11.077 2.946 1.00 1.00 C ATOM 1136 NE2 HIS A 76 1.161 11.802 3.496 1.00 1.00 N ATOM 0 H HIS A 76 1.681 7.731 8.029 1.00 1.00 H new ATOM 0 HA HIS A 76 0.022 9.913 6.871 1.00 1.00 H new ATOM 0 HB2 HIS A 76 2.262 8.675 5.797 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.916 7.842 5.043 1.00 1.00 H new ATOM 0 HD2 HIS A 76 2.511 11.423 5.120 1.00 1.00 H new ATOM 0 HE1 HIS A 76 -0.475 11.382 2.116 1.00 1.00 H new ATOM 0 HE2 HIS A 76 1.464 12.727 3.190 1.00 1.00 H new ATOM 1144 N THR A 77 -1.322 7.646 5.707 1.00 1.00 N ATOM 1145 CA THR A 77 -2.471 6.763 5.596 1.00 1.00 C ATOM 1146 C THR A 77 -2.068 5.446 4.930 1.00 1.00 C ATOM 1147 O THR A 77 -1.901 5.387 3.713 1.00 1.00 O ATOM 1148 CB THR A 77 -3.572 7.512 4.844 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.592 8.802 5.450 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.965 6.946 5.128 1.00 1.00 C ATOM 0 H THR A 77 -0.965 7.995 4.818 1.00 1.00 H new ATOM 0 HA THR A 77 -2.857 6.490 6.578 1.00 1.00 H new ATOM 0 HB THR A 77 -3.373 7.468 3.773 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.278 9.355 5.021 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.709 7.514 4.570 1.00 1.00 H new ATOM 0 HG22 THR A 77 -5.002 5.900 4.823 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.177 7.020 6.195 1.00 1.00 H new ATOM 1158 N SER A 78 -1.924 4.421 5.758 1.00 1.00 N ATOM 1159 CA SER A 78 -1.544 3.108 5.265 1.00 1.00 C ATOM 1160 C SER A 78 -2.646 2.550 4.362 1.00 1.00 C ATOM 1161 O SER A 78 -3.754 3.082 4.327 1.00 1.00 O ATOM 1162 CB SER A 78 -1.266 2.145 6.421 1.00 1.00 C ATOM 1163 OG SER A 78 -1.430 2.772 7.690 1.00 1.00 O ATOM 0 H SER A 78 -2.064 4.474 6.767 1.00 1.00 H new ATOM 0 HA SER A 78 -0.626 3.212 4.686 1.00 1.00 H new ATOM 0 HB2 SER A 78 -1.938 1.290 6.350 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.250 1.760 6.336 1.00 1.00 H new ATOM 0 HG SER A 78 -1.942 2.182 8.283 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.303 1.484 3.654 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.249 0.847 2.753 1.00 1.00 C ATOM 1171 C CYS A 79 -4.445 0.364 3.576 1.00 1.00 C ATOM 1172 O CYS A 79 -5.552 0.882 3.433 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.601 -0.293 1.965 1.00 1.00 C ATOM 1174 SG CYS A 79 -0.989 0.120 1.203 1.00 1.00 S ATOM 0 H CYS A 79 -1.383 1.045 3.686 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.588 1.568 2.009 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.464 -1.145 2.631 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.288 -0.609 1.180 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.182 -0.623 4.420 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.223 -1.181 5.266 1.00 1.00 C ATOM 1181 C LEU A 80 -5.972 -0.044 5.964 1.00 1.00 C ATOM 1182 O LEU A 80 -7.114 -0.217 6.389 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.633 -2.212 6.231 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.746 -3.676 5.800 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.122 -4.246 6.152 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.422 -3.836 4.314 1.00 1.00 C ATOM 0 H LEU A 80 -3.263 -1.050 4.536 1.00 1.00 H new ATOM 0 HA LEU A 80 -5.953 -1.722 4.664 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.579 -1.978 6.381 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.125 -2.099 7.197 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.007 -4.254 6.354 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.176 -5.288 5.835 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.276 -4.186 7.229 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.895 -3.671 5.642 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.510 -4.886 4.033 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.120 -3.243 3.723 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.405 -3.494 4.124 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.300 1.093 6.060 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.888 2.259 6.698 1.00 1.00 C ATOM 1200 C ALA A 81 -7.101 2.722 5.887 1.00 1.00 C ATOM 1201 O ALA A 81 -8.239 2.582 6.332 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.829 3.353 6.839 1.00 1.00 C ATOM 0 H ALA A 81 -4.353 1.232 5.707 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.237 2.012 7.701 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.270 4.227 7.317 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.004 2.984 7.448 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.457 3.629 5.852 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.815 3.264 4.713 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.867 3.748 3.836 1.00 1.00 C ATOM 1210 C CYS A 82 -8.918 2.645 3.692 1.00 1.00 C ATOM 1211 O CYS A 82 -10.084 2.838 4.030 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.315 4.190 2.479 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.679 4.773 1.408 1.00 1.00 S ATOM 0 H CYS A 82 -5.869 3.379 4.348 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.328 4.634 4.273 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.584 4.987 2.617 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.796 3.360 2.001 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.465 1.498 3.185 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.319 0.334 2.974 1.00 1.00 C ATOM 1220 C HIS A 83 -10.286 0.176 4.161 1.00 1.00 C ATOM 1221 O HIS A 83 -11.382 -0.358 3.999 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.432 -0.892 2.713 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.888 -1.052 1.312 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.573 -2.243 0.794 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.614 -0.126 0.335 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.120 -2.066 -0.456 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.124 -0.777 -0.791 1.00 1.00 N ATOM 0 H HIS A 83 -7.494 1.352 2.909 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.950 0.456 2.094 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.589 -0.855 3.403 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.006 -1.785 2.959 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.662 -3.140 1.271 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.757 0.941 0.427 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.794 -2.865 -1.106 1.00 1.00 H new ATOM 1235 N SER A 84 -9.845 0.647 5.318 1.00 1.00 N ATOM 1236 CA SER A 84 -10.658 0.563 6.520 1.00 1.00 C ATOM 1237 C SER A 84 -11.970 1.323 6.318 1.00 1.00 C ATOM 1238 O SER A 84 -13.042 0.816 6.648 1.00 1.00 O ATOM 1239 CB SER A 84 -9.906 1.115 7.733 1.00 1.00 C ATOM 1240 OG SER A 84 -10.445 0.631 8.960 1.00 1.00 O ATOM 0 H SER A 84 -8.935 1.088 5.449 1.00 1.00 H new ATOM 0 HA SER A 84 -10.879 -0.487 6.711 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.854 0.838 7.665 1.00 1.00 H new ATOM 0 HB3 SER A 84 -9.950 2.204 7.722 1.00 1.00 H new ATOM 0 HG SER A 84 -9.937 1.004 9.710 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.844 2.526 5.777 1.00 1.00 N ATOM 1247 CA LYS A 85 -13.007 3.360 5.528 1.00 1.00 C ATOM 1248 C LYS A 85 -13.811 2.773 4.366 1.00 1.00 C ATOM 1249 O LYS A 85 -15.040 2.784 4.390 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.585 4.815 5.310 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.782 5.759 5.449 1.00 1.00 C ATOM 1252 CD LYS A 85 -13.702 6.558 6.750 1.00 1.00 C ATOM 1253 CE LYS A 85 -13.567 8.056 6.467 1.00 1.00 C ATOM 1254 NZ LYS A 85 -13.282 8.796 7.716 1.00 1.00 N ATOM 0 H LYS A 85 -10.954 2.943 5.504 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.663 3.369 6.398 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.817 5.087 6.034 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -12.143 4.925 4.320 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -13.812 6.442 4.600 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.708 5.184 5.428 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -14.595 6.376 7.348 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -12.850 6.217 7.338 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -12.767 8.225 5.747 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -14.486 8.431 6.017 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -13.193 9.811 7.506 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -14.059 8.649 8.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -12.393 8.449 8.130 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.083 2.272 3.378 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.714 1.681 2.210 1.00 1.00 C ATOM 1269 C VAL A 86 -14.689 0.591 2.659 1.00 1.00 C ATOM 1270 O VAL A 86 -15.758 0.429 2.072 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.646 1.167 1.243 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.281 0.403 0.079 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.769 2.313 0.734 1.00 1.00 C ATOM 0 H VAL A 86 -12.063 2.263 3.363 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.291 2.430 1.668 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.007 0.473 1.789 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.499 0.049 -0.593 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.841 -0.449 0.465 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -13.955 1.064 -0.465 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.018 1.920 0.049 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.389 3.042 0.213 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.274 2.794 1.577 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.285 -0.129 3.696 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.110 -1.199 4.230 1.00 1.00 C ATOM 1285 C VAL A 87 -16.494 -0.647 4.576 1.00 1.00 C ATOM 1286 O VAL A 87 -17.486 -1.372 4.527 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.411 -1.852 5.424 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.396 -2.683 6.249 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.224 -2.703 4.967 1.00 1.00 C ATOM 0 H VAL A 87 -13.398 0.008 4.180 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.250 -1.982 3.484 1.00 1.00 H new ATOM 0 HB VAL A 87 -14.027 -1.057 6.063 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.873 -3.136 7.091 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -16.193 -2.039 6.620 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.824 -3.467 5.624 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.745 -3.156 5.835 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.575 -3.487 4.296 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.505 -2.073 4.443 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.516 0.633 4.919 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.762 1.291 5.273 1.00 1.00 C ATOM 1301 C ALA A 88 -18.461 1.771 3.999 1.00 1.00 C ATOM 1302 O ALA A 88 -19.421 2.536 4.064 1.00 1.00 O ATOM 1303 CB ALA A 88 -17.476 2.435 6.248 1.00 1.00 C ATOM 0 H ALA A 88 -15.691 1.231 4.959 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.434 0.595 5.775 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -18.411 2.929 6.514 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -17.007 2.037 7.148 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.806 3.155 5.778 1.00 1.00 H new ATOM 1309 N GLU A 89 -17.950 1.302 2.870 1.00 1.00 N ATOM 1310 CA GLU A 89 -18.513 1.674 1.583 1.00 1.00 C ATOM 1311 C GLU A 89 -19.118 0.449 0.894 1.00 1.00 C ATOM 1312 O GLU A 89 -20.150 0.550 0.234 1.00 1.00 O ATOM 1313 CB GLU A 89 -17.459 2.338 0.695 1.00 1.00 C ATOM 1314 CG GLU A 89 -18.028 3.576 0.000 1.00 1.00 C ATOM 1315 CD GLU A 89 -16.969 4.250 -0.874 1.00 1.00 C ATOM 1316 OE1 GLU A 89 -16.599 3.710 -1.928 1.00 1.00 O ATOM 1317 OE2 GLU A 89 -16.527 5.376 -0.425 1.00 1.00 O ATOM 0 H GLU A 89 -17.153 0.668 2.820 1.00 1.00 H new ATOM 0 HA GLU A 89 -19.308 2.400 1.752 1.00 1.00 H new ATOM 0 HB2 GLU A 89 -16.596 2.620 1.298 1.00 1.00 H new ATOM 0 HB3 GLU A 89 -17.107 1.627 -0.052 1.00 1.00 H new ATOM 0 HG2 GLU A 89 -18.883 3.292 -0.613 1.00 1.00 H new ATOM 0 HG3 GLU A 89 -18.391 4.282 0.747 1.00 1.00 H new ATOM 1325 N LYS A 90 -18.449 -0.681 1.072 1.00 1.00 N ATOM 1326 CA LYS A 90 -18.907 -1.924 0.476 1.00 1.00 C ATOM 1327 C LYS A 90 -18.941 -3.016 1.547 1.00 1.00 C ATOM 1328 O LYS A 90 -18.212 -4.004 1.494 1.00 1.00 O ATOM 1329 CB LYS A 90 -18.052 -2.282 -0.741 1.00 1.00 C ATOM 1330 CG LYS A 90 -18.913 -2.861 -1.866 1.00 1.00 C ATOM 1331 CD LYS A 90 -18.858 -1.973 -3.111 1.00 1.00 C ATOM 1332 CE LYS A 90 -20.150 -2.086 -3.922 1.00 1.00 C ATOM 1333 NZ LYS A 90 -20.502 -0.778 -4.519 1.00 1.00 N ATOM 0 H LYS A 90 -17.593 -0.761 1.621 1.00 1.00 H new ATOM 0 HA LYS A 90 -19.924 -1.814 0.100 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -17.531 -1.394 -1.098 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -17.289 -3.005 -0.454 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -18.566 -3.864 -2.115 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -19.945 -2.955 -1.527 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -18.699 -0.936 -2.816 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -18.009 -2.261 -3.731 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -20.029 -2.831 -4.709 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -20.961 -2.430 -3.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -21.381 -0.872 -5.066 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -20.638 -0.077 -3.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -19.735 -0.466 -5.148 1.00 1.00 H new ATOM 1346 N PRO A 91 -19.816 -2.812 2.534 1.00 1.00 N ATOM 1347 CA PRO A 91 -20.016 -3.715 3.647 1.00 1.00 C ATOM 1348 C PRO A 91 -20.105 -5.146 3.135 1.00 1.00 C ATOM 1349 O PRO A 91 -19.849 -6.069 3.905 1.00 1.00 O ATOM 1350 CB PRO A 91 -21.336 -3.275 4.276 1.00 1.00 C ATOM 1351 CG PRO A 91 -21.463 -1.858 3.928 1.00 1.00 C ATOM 1352 CD PRO A 91 -20.689 -1.662 2.627 1.00 1.00 C ATOM 0 HA PRO A 91 -19.200 -3.686 4.369 1.00 1.00 H new ATOM 0 HB2 PRO A 91 -22.173 -3.855 3.886 1.00 1.00 H new ATOM 0 HB3 PRO A 91 -21.326 -3.417 5.357 1.00 1.00 H new ATOM 0 HG2 PRO A 91 -22.510 -1.581 3.802 1.00 1.00 H new ATOM 0 HG3 PRO A 91 -21.059 -1.226 4.719 1.00 1.00 H new ATOM 0 HD2 PRO A 91 -21.362 -1.607 1.772 1.00 1.00 H new ATOM 0 HD3 PRO A 91 -20.118 -0.733 2.643 1.00 1.00 H new ATOM 1360 N GLU A 92 -20.462 -5.301 1.868 1.00 1.00 N ATOM 1361 CA GLU A 92 -20.579 -6.626 1.281 1.00 1.00 C ATOM 1362 C GLU A 92 -19.215 -7.107 0.782 1.00 1.00 C ATOM 1363 O GLU A 92 -19.137 -7.895 -0.160 1.00 1.00 O ATOM 1364 CB GLU A 92 -21.611 -6.636 0.152 1.00 1.00 C ATOM 1365 CG GLU A 92 -21.165 -5.740 -1.006 1.00 1.00 C ATOM 1366 CD GLU A 92 -22.176 -5.785 -2.154 1.00 1.00 C ATOM 1367 OE1 GLU A 92 -23.364 -5.495 -1.946 1.00 1.00 O ATOM 1368 OE2 GLU A 92 -21.689 -6.134 -3.296 1.00 1.00 O ATOM 0 H GLU A 92 -20.674 -4.532 1.232 1.00 1.00 H new ATOM 0 HA GLU A 92 -20.926 -7.315 2.051 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -21.754 -7.656 -0.206 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -22.574 -6.294 0.531 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -21.053 -4.714 -0.655 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -20.187 -6.062 -1.365 1.00 1.00 H new ATOM 1376 N LEU A 93 -18.173 -6.613 1.435 1.00 1.00 N ATOM 1377 CA LEU A 93 -16.817 -6.983 1.069 1.00 1.00 C ATOM 1378 C LEU A 93 -16.041 -7.371 2.330 1.00 1.00 C ATOM 1379 O LEU A 93 -15.783 -8.551 2.566 1.00 1.00 O ATOM 1380 CB LEU A 93 -16.156 -5.865 0.261 1.00 1.00 C ATOM 1381 CG LEU A 93 -16.596 -5.743 -1.199 1.00 1.00 C ATOM 1382 CD1 LEU A 93 -15.756 -4.700 -1.940 1.00 1.00 C ATOM 1383 CD2 LEU A 93 -16.565 -7.104 -1.897 1.00 1.00 C ATOM 0 H LEU A 93 -18.241 -5.960 2.215 1.00 1.00 H new ATOM 0 HA LEU A 93 -16.824 -7.856 0.416 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -16.355 -4.917 0.760 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -15.077 -6.017 0.283 1.00 1.00 H new ATOM 0 HG LEU A 93 -17.629 -5.396 -1.216 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -16.089 -4.633 -2.976 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -15.873 -3.729 -1.458 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.707 -4.994 -1.915 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -16.882 -6.989 -2.933 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -15.551 -7.504 -1.870 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.239 -7.791 -1.385 1.00 1.00 H new ATOM 1395 N LYS A 94 -15.691 -6.357 3.107 1.00 1.00 N ATOM 1396 CA LYS A 94 -14.950 -6.577 4.337 1.00 1.00 C ATOM 1397 C LYS A 94 -14.042 -7.797 4.169 1.00 1.00 C ATOM 1398 O LYS A 94 -14.186 -8.786 4.886 1.00 1.00 O ATOM 1399 CB LYS A 94 -15.906 -6.681 5.527 1.00 1.00 C ATOM 1400 CG LYS A 94 -15.136 -6.703 6.849 1.00 1.00 C ATOM 1401 CD LYS A 94 -16.016 -7.223 7.987 1.00 1.00 C ATOM 1402 CE LYS A 94 -15.406 -8.474 8.624 1.00 1.00 C ATOM 1403 NZ LYS A 94 -14.717 -8.129 9.887 1.00 1.00 N ATOM 0 H LYS A 94 -15.907 -5.380 2.908 1.00 1.00 H new ATOM 0 HA LYS A 94 -14.304 -5.725 4.550 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -16.596 -5.838 5.518 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -16.507 -7.586 5.437 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -14.253 -7.335 6.749 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -14.784 -5.699 7.086 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -16.135 -6.447 8.743 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -17.011 -7.453 7.606 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -16.188 -9.208 8.818 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -14.701 -8.935 7.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -14.309 -8.989 10.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -13.958 -7.445 9.693 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -15.399 -7.710 10.551 1.00 1.00 H new ATOM 1416 N LYS A 95 -13.127 -7.688 3.217 1.00 1.00 N ATOM 1417 CA LYS A 95 -12.197 -8.770 2.946 1.00 1.00 C ATOM 1418 C LYS A 95 -11.417 -8.458 1.667 1.00 1.00 C ATOM 1419 O LYS A 95 -10.203 -8.264 1.707 1.00 1.00 O ATOM 1420 CB LYS A 95 -12.931 -10.112 2.906 1.00 1.00 C ATOM 1421 CG LYS A 95 -12.481 -11.018 4.053 1.00 1.00 C ATOM 1422 CD LYS A 95 -13.315 -12.300 4.099 1.00 1.00 C ATOM 1423 CE LYS A 95 -12.534 -13.439 4.759 1.00 1.00 C ATOM 1424 NZ LYS A 95 -12.841 -13.508 6.205 1.00 1.00 N ATOM 0 H LYS A 95 -13.010 -6.867 2.624 1.00 1.00 H new ATOM 0 HA LYS A 95 -11.468 -8.856 3.752 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -14.006 -9.944 2.971 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -12.742 -10.605 1.953 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -11.428 -11.270 3.931 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -12.574 -10.486 5.000 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -14.237 -12.119 4.651 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -13.601 -12.589 3.088 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -12.787 -14.386 4.282 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -11.464 -13.286 4.615 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -12.303 -14.286 6.637 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -12.577 -12.610 6.659 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -13.859 -13.676 6.336 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.146 -8.419 0.562 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.538 -8.133 -0.727 1.00 1.00 C ATOM 1439 C ASP A 96 -10.507 -7.015 -0.563 1.00 1.00 C ATOM 1440 O ASP A 96 -9.538 -6.944 -1.316 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.586 -7.665 -1.739 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.517 -8.351 -3.105 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -12.577 -7.692 -4.154 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -12.395 -9.635 -3.065 1.00 1.00 O ATOM 0 H ASP A 96 -13.153 -8.581 0.532 1.00 1.00 H new ATOM 0 HA ASP A 96 -11.070 -9.048 -1.089 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.577 -7.830 -1.316 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.476 -6.590 -1.883 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.752 -6.169 0.427 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.856 -5.057 0.700 1.00 1.00 C ATOM 1452 C LEU A 97 -9.082 -5.336 1.989 1.00 1.00 C ATOM 1453 O LEU A 97 -7.957 -4.868 2.156 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.631 -3.738 0.721 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.486 -3.442 -0.513 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.724 -1.939 -0.667 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.865 -4.056 -1.770 1.00 1.00 C ATOM 0 H LEU A 97 -11.557 -6.231 1.050 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.120 -4.955 -0.098 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.280 -3.735 1.597 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.919 -2.923 0.849 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.461 -3.910 -0.374 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.334 -1.756 -1.551 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.241 -1.560 0.215 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.767 -1.428 -0.774 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.492 -3.831 -2.633 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.870 -3.638 -1.926 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.790 -5.137 -1.648 1.00 1.00 H new ATOM 1469 N THR A 98 -9.715 -6.098 2.869 1.00 1.00 N ATOM 1470 CA THR A 98 -9.099 -6.445 4.139 1.00 1.00 C ATOM 1471 C THR A 98 -9.093 -7.963 4.331 1.00 1.00 C ATOM 1472 O THR A 98 -9.625 -8.470 5.317 1.00 1.00 O ATOM 1473 CB THR A 98 -9.843 -5.696 5.246 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.030 -6.459 5.445 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.353 -4.328 4.786 1.00 1.00 C ATOM 0 H THR A 98 -10.648 -6.485 2.728 1.00 1.00 H new ATOM 0 HA THR A 98 -8.053 -6.141 4.167 1.00 1.00 H new ATOM 0 HB THR A 98 -9.183 -5.569 6.104 1.00 1.00 H new ATOM 0 HG1 THR A 98 -10.802 -7.314 5.866 1.00 1.00 H new ATOM 0 HG21 THR A 98 -10.873 -3.838 5.609 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.510 -3.712 4.472 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.039 -4.458 3.949 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.483 -8.646 3.373 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.400 -10.096 3.424 1.00 1.00 C ATOM 1485 C GLY A 99 -6.947 -10.558 3.552 1.00 1.00 C ATOM 1486 O GLY A 99 -6.095 -10.165 2.757 1.00 1.00 O ATOM 0 H GLY A 99 -8.042 -8.222 2.557 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -8.979 -10.467 4.269 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -8.842 -10.521 2.523 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.709 -11.385 4.559 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.374 -11.905 4.802 1.00 1.00 C ATOM 1492 C CYS A 100 -5.055 -12.934 3.716 1.00 1.00 C ATOM 1493 O CYS A 100 -3.898 -13.094 3.328 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.244 -12.498 6.206 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.561 -11.319 7.569 1.00 1.00 S ATOM 0 H CYS A 100 -7.419 -11.708 5.217 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.650 -11.091 4.755 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.938 -13.333 6.298 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.239 -12.904 6.322 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.100 -13.605 3.255 1.00 1.00 N ATOM 1501 CA ALA A 101 -5.945 -14.614 2.222 1.00 1.00 C ATOM 1502 C ALA A 101 -7.181 -14.608 1.319 1.00 1.00 C ATOM 1503 O ALA A 101 -8.164 -13.928 1.612 1.00 1.00 O ATOM 1504 CB ALA A 101 -5.706 -15.979 2.872 1.00 1.00 C ATOM 0 H ALA A 101 -7.058 -13.469 3.578 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.079 -14.393 1.598 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -5.590 -16.736 2.096 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -4.802 -15.940 3.479 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.556 -16.235 3.504 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.091 -15.372 0.241 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.189 -15.462 -0.706 1.00 1.00 C ATOM 1512 C LYS A 102 -8.779 -14.069 -0.931 1.00 1.00 C ATOM 1513 O LYS A 102 -9.997 -13.895 -0.909 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.216 -16.496 -0.239 1.00 1.00 C ATOM 1515 CG LYS A 102 -9.360 -17.626 -1.260 1.00 1.00 C ATOM 1516 CD LYS A 102 -10.727 -18.302 -1.140 1.00 1.00 C ATOM 1517 CE LYS A 102 -11.538 -18.131 -2.426 1.00 1.00 C ATOM 1518 NZ LYS A 102 -12.835 -18.837 -2.319 1.00 1.00 N ATOM 0 H LYS A 102 -6.274 -15.935 0.002 1.00 1.00 H new ATOM 0 HA LYS A 102 -7.830 -15.816 -1.672 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -8.911 -16.907 0.723 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.181 -16.013 -0.088 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -9.234 -17.229 -2.267 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -8.571 -18.363 -1.106 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -10.595 -19.363 -0.928 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -11.275 -17.875 -0.300 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -11.709 -17.072 -2.617 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -10.974 -18.521 -3.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -13.373 -18.711 -3.200 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -12.666 -19.851 -2.159 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -13.378 -18.446 -1.523 1.00 1.00 H new ATOM 1531 N SER A 103 -7.888 -13.111 -1.143 1.00 1.00 N ATOM 1532 CA SER A 103 -8.305 -11.738 -1.372 1.00 1.00 C ATOM 1533 C SER A 103 -7.655 -11.200 -2.648 1.00 1.00 C ATOM 1534 O SER A 103 -7.090 -11.962 -3.431 1.00 1.00 O ATOM 1535 CB SER A 103 -7.951 -10.849 -0.179 1.00 1.00 C ATOM 1536 OG SER A 103 -8.615 -9.589 -0.236 1.00 1.00 O ATOM 0 H SER A 103 -6.879 -13.259 -1.161 1.00 1.00 H new ATOM 0 HA SER A 103 -9.388 -11.724 -1.491 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.220 -11.359 0.746 1.00 1.00 H new ATOM 0 HB3 SER A 103 -6.873 -10.690 -0.153 1.00 1.00 H new ATOM 0 HG SER A 103 -9.095 -9.434 0.604 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.755 -9.890 -2.817 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.184 -9.240 -3.985 1.00 1.00 C ATOM 1544 C LYS A 104 -5.726 -8.876 -3.698 1.00 1.00 C ATOM 1545 O LYS A 104 -5.046 -8.304 -4.548 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.043 -8.047 -4.409 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.533 -8.381 -4.305 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.006 -9.168 -5.529 1.00 1.00 C ATOM 1549 CE LYS A 104 -9.840 -10.673 -5.310 1.00 1.00 C ATOM 1550 NZ LYS A 104 -11.147 -11.300 -5.008 1.00 1.00 N ATOM 0 H LYS A 104 -8.223 -9.261 -2.165 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.182 -9.920 -4.837 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.814 -7.187 -3.779 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -7.800 -7.765 -5.434 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.717 -8.962 -3.401 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.110 -7.461 -4.215 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -11.052 -8.939 -5.731 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -9.437 -8.860 -6.406 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -9.407 -11.130 -6.200 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -9.145 -10.853 -4.489 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -10.994 -12.258 -4.633 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.652 -10.728 -4.301 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -11.715 -11.355 -5.878 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.288 -9.223 -2.496 1.00 1.00 N ATOM 1564 CA CYS A 105 -3.923 -8.940 -2.086 1.00 1.00 C ATOM 1565 C CYS A 105 -3.205 -10.271 -1.854 1.00 1.00 C ATOM 1566 O CYS A 105 -2.110 -10.494 -2.365 1.00 1.00 O ATOM 1567 CB CYS A 105 -3.879 -8.043 -0.847 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.490 -6.323 -1.333 1.00 1.00 S ATOM 0 H CYS A 105 -5.855 -9.698 -1.793 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.412 -8.386 -2.873 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.838 -8.075 -0.330 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.128 -8.411 -0.148 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.857 -11.133 -1.073 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.330 -12.452 -0.739 1.00 1.00 C ATOM 1575 C HIS A 106 -4.278 -13.542 -1.273 1.00 1.00 C ATOM 1576 O HIS A 106 -5.125 -14.069 -0.556 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.081 -12.518 0.775 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.032 -11.584 1.332 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.760 -11.602 0.921 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.111 -10.598 2.287 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.074 -10.665 1.593 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.860 -10.015 2.450 1.00 1.00 N ATOM 0 H HIS A 106 -4.766 -10.934 -0.655 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.370 -12.633 -1.222 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.023 -12.314 1.284 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.797 -13.539 1.029 1.00 1.00 H new ATOM 0 HD1 HIS A 106 -0.374 -12.226 0.212 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.005 -10.320 2.826 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.978 -10.464 1.457 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.111 -13.866 -2.557 1.00 1.00 N ATOM 1591 CA PRO A 107 -4.891 -14.864 -3.255 1.00 1.00 C ATOM 1592 C PRO A 107 -4.724 -16.213 -2.571 1.00 1.00 C ATOM 1593 O PRO A 107 -4.705 -16.291 -1.344 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.316 -14.892 -4.669 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.587 -13.607 -4.843 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.124 -13.265 -3.428 1.00 1.00 C ATOM 0 HA PRO A 107 -5.958 -14.641 -3.261 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -3.646 -15.741 -4.800 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.109 -14.994 -5.410 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -2.744 -13.713 -5.526 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.234 -12.831 -5.252 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.129 -13.663 -3.231 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -3.071 -12.186 -3.280 1.00 1.00 H new TER 1604 PRO A 107 HETATM 1605 CHA HEM A 233 4.571 2.904 -7.671 1.00 1.00 C HETATM 1606 CHB HEM A 233 3.046 6.899 -10.001 1.00 1.00 C HETATM 1607 CHC HEM A 233 -0.847 7.136 -7.083 1.00 1.00 C HETATM 1608 CHD HEM A 233 0.532 2.947 -4.950 1.00 1.00 C HETATM 1609 C1A HEM A 233 4.499 3.992 -8.533 1.00 1.00 C HETATM 1610 C2A HEM A 233 5.521 4.335 -9.495 1.00 1.00 C HETATM 1611 C3A HEM A 233 5.101 5.442 -10.143 1.00 1.00 C HETATM 1612 C4A HEM A 233 3.816 5.797 -9.588 1.00 1.00 C HETATM 1613 CMA HEM A 233 5.802 6.195 -11.236 1.00 1.00 C HETATM 1614 CAA HEM A 233 6.796 3.571 -9.702 1.00 1.00 C HETATM 1615 CBA HEM A 233 8.012 4.200 -9.027 1.00 1.00 C HETATM 1616 CGA HEM A 233 9.283 3.918 -9.815 1.00 1.00 C HETATM 1617 O1A HEM A 233 9.547 4.690 -10.762 1.00 1.00 O HETATM 1618 O2A HEM A 233 9.967 2.935 -9.457 1.00 1.00 O HETATM 1619 C1B HEM A 233 1.878 7.324 -9.376 1.00 1.00 C HETATM 1620 C2B HEM A 233 1.184 8.549 -9.697 1.00 1.00 C HETATM 1621 C3B HEM A 233 0.105 8.618 -8.890 1.00 1.00 C HETATM 1622 C4B HEM A 233 0.119 7.435 -8.061 1.00 1.00 C HETATM 1623 CMB HEM A 233 1.620 9.534 -10.743 1.00 1.00 C HETATM 1624 CAB HEM A 233 -0.938 9.696 -8.830 1.00 1.00 C HETATM 1625 CBB HEM A 233 -1.628 9.967 -10.164 1.00 1.00 C HETATM 1626 C1C HEM A 233 -0.815 5.991 -6.228 1.00 1.00 C HETATM 1627 C2C HEM A 233 -1.735 5.737 -5.144 1.00 1.00 C HETATM 1628 C3C HEM A 233 -1.343 4.589 -4.552 1.00 1.00 C HETATM 1629 C4C HEM A 233 -0.176 4.121 -5.264 1.00 1.00 C HETATM 1630 CMC HEM A 233 -2.897 6.614 -4.780 1.00 1.00 C HETATM 1631 CAC HEM A 233 -1.968 3.894 -3.378 1.00 1.00 C HETATM 1632 CBC HEM A 233 -3.480 3.721 -3.493 1.00 1.00 C HETATM 1633 C1D HEM A 233 1.770 2.605 -5.484 1.00 1.00 C HETATM 1634 C2D HEM A 233 2.574 1.498 -5.026 1.00 1.00 C HETATM 1635 C3D HEM A 233 3.695 1.483 -5.778 1.00 1.00 C HETATM 1636 C4D HEM A 233 3.595 2.581 -6.710 1.00 1.00 C HETATM 1637 CMD HEM A 233 2.195 0.562 -3.915 1.00 1.00 C HETATM 1638 CAD HEM A 233 4.850 0.528 -5.697 1.00 1.00 C HETATM 1639 CBD HEM A 233 4.891 -0.289 -4.409 1.00 1.00 C HETATM 1640 CGD HEM A 233 6.127 -1.176 -4.361 1.00 1.00 C HETATM 1641 O1D HEM A 233 6.818 -1.242 -5.401 1.00 1.00 O HETATM 1642 O2D HEM A 233 6.358 -1.770 -3.286 1.00 1.00 O HETATM 1643 NA HEM A 233 3.455 4.898 -8.599 1.00 1.00 N HETATM 1644 NB HEM A 233 1.214 6.646 -8.368 1.00 1.00 N HETATM 1645 NC HEM A 233 0.140 4.991 -6.293 1.00 1.00 N HETATM 1646 ND HEM A 233 2.407 3.265 -6.521 1.00 1.00 N HETATM 1647 FE HEM A 233 1.760 4.993 -7.379 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 6.880 6.093 -11.114 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 5.529 7.249 -11.184 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 5.506 5.791 -12.204 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 2.706 9.509 -10.836 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 1.303 10.536 -10.454 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 1.168 9.273 -11.700 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -2.667 7.648 -5.037 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -3.087 6.540 -3.709 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -3.782 6.292 -5.329 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 2.633 -0.419 -4.100 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 1.110 0.472 -3.870 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 2.567 0.952 -2.968 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -2.402 10.731 -10.232 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -1.347 9.396 -11.049 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -4.034 3.228 -2.694 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -4.005 4.090 -4.374 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 8.113 3.808 -8.015 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 7.866 5.277 -8.939 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 6.989 3.489 -10.772 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 6.666 2.557 -9.323 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 3.995 -0.905 -4.337 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 4.887 0.381 -3.549 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 5.780 1.090 -5.789 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 4.805 -0.154 -6.546 1.00 1.00 H new HETATM 0 HHA HEM A 233 5.436 2.262 -7.744 1.00 1.00 H new HETATM 0 HHB HEM A 233 3.385 7.454 -10.863 1.00 1.00 H new HETATM 0 HHC HEM A 233 -1.673 7.822 -6.970 1.00 1.00 H new HETATM 0 HHD HEM A 233 0.083 2.263 -4.245 1.00 1.00 H new HETATM 0 HAB HEM A 233 -1.181 10.237 -7.915 1.00 1.00 H new HETATM 0 HAC HEM A 233 -1.394 3.544 -2.520 1.00 1.00 H new HETATM 1648 CHA HEM A 251 7.384 6.761 6.943 1.00 1.00 C HETATM 1649 CHB HEM A 251 4.483 4.321 3.885 1.00 1.00 C HETATM 1650 CHC HEM A 251 7.655 5.060 0.264 1.00 1.00 C HETATM 1651 CHD HEM A 251 10.704 7.307 3.421 1.00 1.00 C HETATM 1652 C1A HEM A 251 6.317 6.045 6.411 1.00 1.00 C HETATM 1653 C2A HEM A 251 5.141 5.666 7.159 1.00 1.00 C HETATM 1654 C3A HEM A 251 4.334 4.990 6.314 1.00 1.00 C HETATM 1655 C4A HEM A 251 5.003 4.943 5.035 1.00 1.00 C HETATM 1656 CMA HEM A 251 2.992 4.384 6.604 1.00 1.00 C HETATM 1657 CAA HEM A 251 4.903 5.987 8.605 1.00 1.00 C HETATM 1658 CBA HEM A 251 5.814 5.230 9.567 1.00 1.00 C HETATM 1659 CGA HEM A 251 5.022 4.234 10.403 1.00 1.00 C HETATM 1660 O1A HEM A 251 4.490 4.667 11.448 1.00 1.00 O HETATM 1661 O2A HEM A 251 4.962 3.059 9.981 1.00 1.00 O HETATM 1662 C1B HEM A 251 5.128 4.272 2.654 1.00 1.00 C HETATM 1663 C2B HEM A 251 4.667 3.499 1.525 1.00 1.00 C HETATM 1664 C3B HEM A 251 5.544 3.702 0.520 1.00 1.00 C HETATM 1665 C4B HEM A 251 6.558 4.603 1.016 1.00 1.00 C HETATM 1666 CMB HEM A 251 3.434 2.643 1.517 1.00 1.00 C HETATM 1667 CAB HEM A 251 5.513 3.123 -0.865 1.00 1.00 C HETATM 1668 CBB HEM A 251 4.143 3.191 -1.535 1.00 1.00 C HETATM 1669 C1C HEM A 251 8.783 5.856 0.790 1.00 1.00 C HETATM 1670 C2C HEM A 251 10.045 6.044 0.115 1.00 1.00 C HETATM 1671 C3C HEM A 251 10.894 6.599 1.006 1.00 1.00 C HETATM 1672 C4C HEM A 251 10.165 6.760 2.242 1.00 1.00 C HETATM 1673 CMC HEM A 251 10.318 5.675 -1.314 1.00 1.00 C HETATM 1674 CAC HEM A 251 12.327 6.990 0.798 1.00 1.00 C HETATM 1675 CBC HEM A 251 12.516 8.181 -0.138 1.00 1.00 C HETATM 1676 C1D HEM A 251 10.074 7.285 4.661 1.00 1.00 C HETATM 1677 C2D HEM A 251 10.710 7.661 5.901 1.00 1.00 C HETATM 1678 C3D HEM A 251 9.793 7.511 6.879 1.00 1.00 C HETATM 1679 C4D HEM A 251 8.579 7.040 6.255 1.00 1.00 C HETATM 1680 CMD HEM A 251 12.131 8.127 6.030 1.00 1.00 C HETATM 1681 CAD HEM A 251 9.957 7.771 8.349 1.00 1.00 C HETATM 1682 CBD HEM A 251 11.382 7.574 8.858 1.00 1.00 C HETATM 1683 CGD HEM A 251 12.050 8.911 9.146 1.00 1.00 C HETATM 1684 O1D HEM A 251 13.058 8.894 9.887 1.00 1.00 O HETATM 1685 O2D HEM A 251 11.541 9.925 8.621 1.00 1.00 O HETATM 1686 NA HEM A 251 6.221 5.595 5.106 1.00 1.00 N HETATM 1687 NB HEM A 251 6.292 4.948 2.330 1.00 1.00 N HETATM 1688 NC HEM A 251 8.867 6.300 2.098 1.00 1.00 N HETATM 1689 ND HEM A 251 8.763 6.905 4.890 1.00 1.00 N HETATM 1690 FE HEM A 251 7.581 5.906 3.645 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 2.947 4.083 7.651 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 2.842 3.511 5.969 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 2.211 5.117 6.403 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 3.249 2.261 2.521 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 3.576 1.807 0.832 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 2.580 3.238 1.192 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 11.070 6.348 -1.726 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 9.399 5.760 -1.894 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 10.683 4.649 -1.361 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 12.213 8.816 6.871 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 12.432 8.636 5.114 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 12.781 7.269 6.199 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 4.009 2.798 -2.543 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 3.299 3.632 -1.005 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 13.519 8.548 -0.358 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 11.648 8.665 -0.587 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.323 5.936 10.223 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.586 4.705 9.004 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 3.865 5.762 8.851 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 5.041 7.058 8.756 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 11.964 7.025 8.117 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 11.367 6.968 9.764 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 9.290 7.109 8.901 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 9.643 8.792 8.564 1.00 1.00 H new HETATM 0 HHA HEM A 251 7.289 7.128 7.954 1.00 1.00 H new HETATM 0 HHB HEM A 251 3.515 3.848 3.964 1.00 1.00 H new HETATM 0 HHC HEM A 251 7.674 4.808 -0.786 1.00 1.00 H new HETATM 0 HHD HEM A 251 11.675 7.777 3.359 1.00 1.00 H new HETATM 0 HAB HEM A 251 6.390 2.693 -1.349 1.00 1.00 H new HETATM 0 HAC HEM A 251 13.159 6.470 1.273 1.00 1.00 H new HETATM 1691 CHA HEM A 282 -9.063 -1.635 -4.180 1.00 1.00 C HETATM 1692 CHB HEM A 282 -4.449 -2.653 -2.999 1.00 1.00 C HETATM 1693 CHC HEM A 282 -4.042 1.692 -0.836 1.00 1.00 C HETATM 1694 CHD HEM A 282 -8.685 2.680 -1.954 1.00 1.00 C HETATM 1695 C1A HEM A 282 -7.836 -2.277 -4.049 1.00 1.00 C HETATM 1696 C2A HEM A 282 -7.542 -3.585 -4.586 1.00 1.00 C HETATM 1697 C3A HEM A 282 -6.264 -3.870 -4.260 1.00 1.00 C HETATM 1698 C4A HEM A 282 -5.753 -2.742 -3.518 1.00 1.00 C HETATM 1699 CMA HEM A 282 -5.482 -5.109 -4.585 1.00 1.00 C HETATM 1700 CAA HEM A 282 -8.510 -4.433 -5.358 1.00 1.00 C HETATM 1701 CBA HEM A 282 -8.658 -4.031 -6.822 1.00 1.00 C HETATM 1702 CGA HEM A 282 -9.527 -5.026 -7.579 1.00 1.00 C HETATM 1703 O1A HEM A 282 -10.571 -4.583 -8.104 1.00 1.00 O HETATM 1704 O2A HEM A 282 -9.131 -6.211 -7.617 1.00 1.00 O HETATM 1705 C1B HEM A 282 -3.942 -1.548 -2.322 1.00 1.00 C HETATM 1706 C2B HEM A 282 -2.583 -1.440 -1.846 1.00 1.00 C HETATM 1707 C3B HEM A 282 -2.467 -0.237 -1.247 1.00 1.00 C HETATM 1708 C4B HEM A 282 -3.753 0.413 -1.345 1.00 1.00 C HETATM 1709 CMB HEM A 282 -1.530 -2.496 -2.011 1.00 1.00 C HETATM 1710 CAB HEM A 282 -1.254 0.355 -0.589 1.00 1.00 C HETATM 1711 CBB HEM A 282 0.043 0.128 -1.361 1.00 1.00 C HETATM 1712 C1C HEM A 282 -5.308 2.297 -0.872 1.00 1.00 C HETATM 1713 C2C HEM A 282 -5.648 3.541 -0.223 1.00 1.00 C HETATM 1714 C3C HEM A 282 -6.927 3.822 -0.549 1.00 1.00 C HETATM 1715 C4C HEM A 282 -7.393 2.754 -1.401 1.00 1.00 C HETATM 1716 CMC HEM A 282 -4.717 4.340 0.642 1.00 1.00 C HETATM 1717 CAC HEM A 282 -7.749 5.006 -0.127 1.00 1.00 C HETATM 1718 CBC HEM A 282 -6.934 6.272 0.117 1.00 1.00 C HETATM 1719 C1D HEM A 282 -9.170 1.600 -2.683 1.00 1.00 C HETATM 1720 C2D HEM A 282 -10.482 1.549 -3.283 1.00 1.00 C HETATM 1721 C3D HEM A 282 -10.590 0.354 -3.901 1.00 1.00 C HETATM 1722 C4D HEM A 282 -9.346 -0.347 -3.690 1.00 1.00 C HETATM 1723 CMD HEM A 282 -11.504 2.646 -3.207 1.00 1.00 C HETATM 1724 CAD HEM A 282 -11.760 -0.185 -4.672 1.00 1.00 C HETATM 1725 CBD HEM A 282 -11.535 -0.245 -6.180 1.00 1.00 C HETATM 1726 CGD HEM A 282 -12.186 0.940 -6.878 1.00 1.00 C HETATM 1727 O1D HEM A 282 -12.913 0.690 -7.863 1.00 1.00 O HETATM 1728 O2D HEM A 282 -11.943 2.076 -6.414 1.00 1.00 O HETATM 1729 NA HEM A 282 -6.728 -1.767 -3.394 1.00 1.00 N HETATM 1730 NB HEM A 282 -4.653 -0.402 -2.009 1.00 1.00 N HETATM 1731 NC HEM A 282 -6.389 1.821 -1.594 1.00 1.00 N HETATM 1732 ND HEM A 282 -8.479 0.428 -2.939 1.00 1.00 N HETATM 1733 FE HEM A 282 -6.582 0.102 -2.408 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -4.425 -4.858 -4.679 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -5.840 -5.529 -5.525 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -5.612 -5.841 -3.788 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -2.000 -3.479 -2.029 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.829 -2.444 -1.178 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -0.994 -2.333 -2.946 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 -4.013 3.670 1.134 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 -5.292 4.879 1.395 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 -4.169 5.053 0.026 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -11.377 3.197 -2.275 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -12.504 2.214 -3.240 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -11.374 3.324 -4.051 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 0.984 0.517 -0.972 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 0.028 -0.423 -2.302 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 -7.433 7.190 0.427 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 -5.853 6.259 -0.019 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -7.674 -3.975 -7.288 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -9.099 -3.036 -6.886 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -9.487 -4.380 -4.877 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -8.186 -5.473 -5.309 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -11.945 -1.174 -6.575 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -10.466 -0.253 -6.391 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -12.633 0.436 -4.470 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -11.991 -1.187 -4.309 1.00 1.00 H new HETATM 0 HHA HEM A 282 -9.853 -2.162 -4.694 1.00 1.00 H new HETATM 0 HHB HEM A 282 -3.795 -3.502 -3.135 1.00 1.00 H new HETATM 0 HHC HEM A 282 -3.233 2.248 -0.386 1.00 1.00 H new HETATM 0 HHD HEM A 282 -9.346 3.521 -1.801 1.00 1.00 H new HETATM 0 HAB HEM A 282 -1.296 0.898 0.355 1.00 1.00 H new HETATM 0 HAC HEM A 282 -8.831 4.964 -0.006 1.00 1.00 H new HETATM 1734 CHA HEM A 305 2.920 -8.880 2.823 1.00 1.00 C HETATM 1735 CHB HEM A 305 0.080 -10.784 6.293 1.00 1.00 C HETATM 1736 CHC HEM A 305 -3.744 -8.344 4.519 1.00 1.00 C HETATM 1737 CHD HEM A 305 -0.831 -6.247 1.174 1.00 1.00 C HETATM 1738 C1A HEM A 305 2.472 -9.592 3.932 1.00 1.00 C HETATM 1739 C2A HEM A 305 3.322 -10.401 4.774 1.00 1.00 C HETATM 1740 C3A HEM A 305 2.537 -10.931 5.736 1.00 1.00 C HETATM 1741 C4A HEM A 305 1.195 -10.454 5.500 1.00 1.00 C HETATM 1742 CMA HEM A 305 2.940 -11.844 6.858 1.00 1.00 C HETATM 1743 CAA HEM A 305 4.798 -10.590 4.577 1.00 1.00 C HETATM 1744 CBA HEM A 305 5.651 -9.480 5.182 1.00 1.00 C HETATM 1745 CGA HEM A 305 6.455 -9.992 6.369 1.00 1.00 C HETATM 1746 O1A HEM A 305 5.830 -10.623 7.248 1.00 1.00 O HETATM 1747 O2A HEM A 305 7.680 -9.743 6.375 1.00 1.00 O HETATM 1748 C1B HEM A 305 -1.192 -10.248 6.126 1.00 1.00 C HETATM 1749 C2B HEM A 305 -2.292 -10.470 7.035 1.00 1.00 C HETATM 1750 C3B HEM A 305 -3.353 -9.795 6.547 1.00 1.00 C HETATM 1751 C4B HEM A 305 -2.922 -9.148 5.330 1.00 1.00 C HETATM 1752 CMB HEM A 305 -2.221 -11.305 8.281 1.00 1.00 C HETATM 1753 CAB HEM A 305 -4.737 -9.705 7.123 1.00 1.00 C HETATM 1754 CBB HEM A 305 -4.845 -8.785 8.336 1.00 1.00 C HETATM 1755 C1C HEM A 305 -3.324 -7.673 3.287 1.00 1.00 C HETATM 1756 C2C HEM A 305 -4.158 -6.974 2.339 1.00 1.00 C HETATM 1757 C3C HEM A 305 -3.335 -6.371 1.455 1.00 1.00 C HETATM 1758 C4C HEM A 305 -1.983 -6.691 1.848 1.00 1.00 C HETATM 1759 CMC HEM A 305 -5.659 -6.950 2.369 1.00 1.00 C HETATM 1760 CAC HEM A 305 -3.709 -5.521 0.275 1.00 1.00 C HETATM 1761 CBC HEM A 305 -5.166 -5.069 0.273 1.00 1.00 C HETATM 1762 C1D HEM A 305 0.442 -6.779 1.353 1.00 1.00 C HETATM 1763 C2D HEM A 305 1.602 -6.385 0.588 1.00 1.00 C HETATM 1764 C3D HEM A 305 2.643 -7.114 1.043 1.00 1.00 C HETATM 1765 C4D HEM A 305 2.138 -7.966 2.094 1.00 1.00 C HETATM 1766 CMD HEM A 305 1.602 -5.353 -0.501 1.00 1.00 C HETATM 1767 CAD HEM A 305 4.069 -7.078 0.576 1.00 1.00 C HETATM 1768 CBD HEM A 305 5.087 -6.917 1.702 1.00 1.00 C HETATM 1769 CGD HEM A 305 4.437 -6.332 2.948 1.00 1.00 C HETATM 1770 O1D HEM A 305 4.488 -7.020 3.990 1.00 1.00 O HETATM 1771 O2D HEM A 305 3.903 -5.208 2.835 1.00 1.00 O HETATM 1772 NA HEM A 305 1.166 -9.632 4.387 1.00 1.00 N HETATM 1773 NB HEM A 305 -1.591 -9.433 5.081 1.00 1.00 N HETATM 1774 NC HEM A 305 -1.988 -7.492 2.976 1.00 1.00 N HETATM 1775 ND HEM A 305 0.784 -7.752 2.276 1.00 1.00 N HETATM 1776 FE HEM A 305 -0.379 -8.595 3.612 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 3.787 -12.454 6.544 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 2.103 -12.492 7.118 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 3.222 -11.250 7.727 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 -2.920 -10.915 9.021 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 -1.209 -11.271 8.685 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 -2.482 -12.336 8.043 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 -6.029 -7.878 2.804 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 -6.042 -6.847 1.354 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 -5.997 -6.107 2.971 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.626 -5.337 -0.987 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 2.369 -5.599 -1.235 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 1.810 -4.372 -0.073 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 -5.806 -8.647 8.832 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 -3.961 -8.265 8.706 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 -5.543 -4.447 -0.539 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 -5.830 -5.368 1.084 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 5.011 -8.657 5.500 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 6.327 -9.083 4.425 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 5.007 -10.654 3.509 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 5.094 -11.542 5.017 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 5.899 -6.268 1.373 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 5.528 -7.885 1.939 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 4.189 -6.255 -0.129 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 4.286 -7.998 0.033 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.938 -9.040 2.500 1.00 1.00 H new HETATM 0 HHB HEM A 305 0.222 -11.503 7.086 1.00 1.00 H new HETATM 0 HHC HEM A 305 -4.769 -8.211 4.831 1.00 1.00 H new HETATM 0 HHD HEM A 305 -0.942 -5.437 0.469 1.00 1.00 H new HETATM 0 HAB HEM A 305 -5.588 -10.248 6.712 1.00 1.00 H new HETATM 0 HAC HEM A 305 -3.003 -5.251 -0.510 1.00 1.00 H new