USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=32 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 Set 1.1: A 48 SER OG : rot -80:sc= -4.89! USER MOD Set 1.2: A 251 HEM CMC :methyl 150:sc= -5.49! (180deg=-0.57) USER MOD Single : A 1 ALA N :NH3+ 131:sc= 0.0668 (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= -0.683 USER MOD Single : A 15 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.13) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -140:sc= -1.35 USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.0198) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0392 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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+ -164:sc=-0.00691 (180deg=-0.158) 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 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= 0.545 K(o=0.54,f=-3.2!) USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.000955 USER MOD Single : A 78 SER OG : rot 139:sc= -4.57! USER MOD Single : A 84 SER OG : rot -84:sc= 0.265 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 -47:sc= 0.902 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -140:sc= 1.89 USER MOD Single : A 104 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.393) USER MOD Single : A 233 HEM CMA :methyl -30:sc= -1.7 (180deg=-4.37!) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -0.151 (180deg=-1.36) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -2.38! (180deg=-4.13!) USER MOD Single : A 233 HEM CMD :methyl 150:sc= -1.59 (180deg=-1.59) USER MOD Single : A 251 HEM CMA :methyl 150:sc= -0.836 (180deg=-0.836) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -1 (180deg=-1.44) USER MOD Single : A 251 HEM CMD :methyl -30:sc= -0.181 (180deg=-0.324) USER MOD Single : A 282 HEM CMA :methyl -30:sc= -0.151 (180deg=-0.812) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -1.51 (180deg=-4.01!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -7.41! (180deg=-8.85!) USER MOD Single : A 282 HEM CMD :methyl 150:sc= -0.114 (180deg=-0.114) USER MOD Single : A 305 HEM CMA :methyl -30:sc= -0.613 (180deg=-5.09!) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.968 (180deg=-0.968) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -7.72! (180deg=-9.73!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.158 (180deg=-0.618) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.349 14.750 -12.336 1.00 1.00 N ATOM 2 CA ALA A 1 5.353 13.349 -11.950 1.00 1.00 C ATOM 3 C ALA A 1 5.193 12.480 -13.198 1.00 1.00 C ATOM 4 O ALA A 1 4.612 12.882 -14.204 1.00 1.00 O ATOM 5 CB ALA A 1 4.248 13.100 -10.921 1.00 1.00 C ATOM 0 H1 ALA A 1 4.685 15.275 -11.732 1.00 1.00 H new ATOM 0 H2 ALA A 1 6.305 15.144 -12.223 1.00 1.00 H new ATOM 0 H3 ALA A 1 5.054 14.835 -13.330 1.00 1.00 H new ATOM 0 HA ALA A 1 6.301 13.083 -11.482 1.00 1.00 H new ATOM 0 HB1 ALA A 1 4.251 12.049 -10.631 1.00 1.00 H new ATOM 0 HB2 ALA A 1 4.424 13.719 -10.041 1.00 1.00 H new ATOM 0 HB3 ALA A 1 3.281 13.354 -11.356 1.00 1.00 H new ATOM 11 N PRO A 2 5.732 11.261 -13.110 1.00 1.00 N ATOM 12 CA PRO A 2 5.697 10.275 -14.168 1.00 1.00 C ATOM 13 C PRO A 2 4.252 9.922 -14.490 1.00 1.00 C ATOM 14 O PRO A 2 3.393 10.087 -13.625 1.00 1.00 O ATOM 15 CB PRO A 2 6.443 9.068 -13.604 1.00 1.00 C ATOM 16 CG PRO A 2 6.290 9.238 -12.033 1.00 1.00 C ATOM 17 CD PRO A 2 6.422 10.756 -11.943 1.00 1.00 C ATOM 0 HA PRO A 2 6.151 10.630 -15.093 1.00 1.00 H new ATOM 0 HB2 PRO A 2 6.009 8.130 -13.950 1.00 1.00 H new ATOM 0 HB3 PRO A 2 7.490 9.066 -13.907 1.00 1.00 H new ATOM 0 HG2 PRO A 2 5.331 8.876 -11.662 1.00 1.00 H new ATOM 0 HG3 PRO A 2 7.066 8.714 -11.475 1.00 1.00 H new ATOM 0 HD2 PRO A 2 5.976 11.137 -11.025 1.00 1.00 H new ATOM 0 HD3 PRO A 2 7.468 11.062 -11.940 1.00 1.00 H new ATOM 25 N ALA A 3 4.012 9.452 -15.706 1.00 1.00 N ATOM 26 CA ALA A 3 2.666 9.087 -16.115 1.00 1.00 C ATOM 27 C ALA A 3 2.211 7.863 -15.318 1.00 1.00 C ATOM 28 O ALA A 3 2.888 6.836 -15.309 1.00 1.00 O ATOM 29 CB ALA A 3 2.640 8.842 -17.625 1.00 1.00 C ATOM 0 H ALA A 3 4.727 9.316 -16.421 1.00 1.00 H new ATOM 0 HA ALA A 3 1.967 9.897 -15.904 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.631 8.568 -17.932 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.944 9.750 -18.146 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.327 8.033 -17.874 1.00 1.00 H new ATOM 35 N VAL A 4 1.066 8.012 -14.668 1.00 1.00 N ATOM 36 CA VAL A 4 0.512 6.931 -13.870 1.00 1.00 C ATOM 37 C VAL A 4 0.414 5.668 -14.728 1.00 1.00 C ATOM 38 O VAL A 4 -0.179 5.655 -15.804 1.00 1.00 O ATOM 39 CB VAL A 4 -0.832 7.356 -13.275 1.00 1.00 C ATOM 40 CG1 VAL A 4 -1.878 7.559 -14.373 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.317 6.342 -12.236 1.00 1.00 C ATOM 0 H VAL A 4 0.507 8.865 -14.678 1.00 1.00 H new ATOM 0 HA VAL A 4 1.167 6.702 -13.029 1.00 1.00 H new ATOM 0 HB VAL A 4 -0.688 8.311 -12.769 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -2.824 7.861 -13.923 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.539 8.335 -15.060 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.017 6.626 -14.920 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.274 6.668 -11.829 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.437 5.367 -12.708 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.586 6.268 -11.431 1.00 1.00 H new ATOM 51 N PRO A 5 1.018 4.592 -14.219 1.00 1.00 N ATOM 52 CA PRO A 5 1.049 3.294 -14.859 1.00 1.00 C ATOM 53 C PRO A 5 -0.343 2.679 -14.832 1.00 1.00 C ATOM 54 O PRO A 5 -0.922 2.568 -13.752 1.00 1.00 O ATOM 55 CB PRO A 5 2.029 2.470 -14.027 1.00 1.00 C ATOM 56 CG PRO A 5 2.029 3.099 -12.698 1.00 1.00 C ATOM 57 CD PRO A 5 1.724 4.572 -12.956 1.00 1.00 C ATOM 0 HA PRO A 5 1.355 3.343 -15.904 1.00 1.00 H new ATOM 0 HB2 PRO A 5 1.717 1.427 -13.969 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.026 2.480 -14.468 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.278 2.649 -12.049 1.00 1.00 H new ATOM 0 HG3 PRO A 5 2.993 2.977 -12.204 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.115 4.995 -12.157 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.639 5.162 -13.006 1.00 1.00 H new ATOM 65 N ASP A 6 -0.847 2.297 -15.996 1.00 1.00 N ATOM 66 CA ASP A 6 -2.168 1.699 -16.080 1.00 1.00 C ATOM 67 C ASP A 6 -2.061 0.196 -15.817 1.00 1.00 C ATOM 68 O ASP A 6 -3.029 -0.541 -16.000 1.00 1.00 O ATOM 69 CB ASP A 6 -2.773 1.893 -17.472 1.00 1.00 C ATOM 70 CG ASP A 6 -2.162 1.020 -18.570 1.00 1.00 C ATOM 71 OD1 ASP A 6 -1.281 0.188 -18.308 1.00 1.00 O ATOM 72 OD2 ASP A 6 -2.633 1.224 -19.754 1.00 1.00 O ATOM 0 H ASP A 6 -0.364 2.390 -16.889 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.804 2.183 -15.339 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.842 1.688 -17.419 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.663 2.939 -17.757 1.00 1.00 H new ATOM 78 N LYS A 7 -0.875 -0.214 -15.391 1.00 1.00 N ATOM 79 CA LYS A 7 -0.629 -1.617 -15.100 1.00 1.00 C ATOM 80 C LYS A 7 -0.220 -1.765 -13.633 1.00 1.00 C ATOM 81 O LYS A 7 0.416 -0.896 -13.042 1.00 1.00 O ATOM 82 CB LYS A 7 0.389 -2.197 -16.084 1.00 1.00 C ATOM 83 CG LYS A 7 1.580 -1.253 -16.260 1.00 1.00 C ATOM 84 CD LYS A 7 1.503 -0.516 -17.599 1.00 1.00 C ATOM 85 CE LYS A 7 2.776 -0.732 -18.418 1.00 1.00 C ATOM 86 NZ LYS A 7 3.911 0.003 -17.816 1.00 1.00 N ATOM 0 H LYS A 7 -0.074 0.400 -15.240 1.00 1.00 H new ATOM 0 HA LYS A 7 -1.539 -2.200 -15.238 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.738 -3.165 -15.724 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -0.089 -2.369 -17.048 1.00 1.00 H new ATOM 0 HG2 LYS A 7 1.600 -0.531 -15.444 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.509 -1.820 -16.206 1.00 1.00 H new ATOM 0 HD2 LYS A 7 0.639 -0.869 -18.163 1.00 1.00 H new ATOM 0 HD3 LYS A 7 1.356 0.550 -17.424 1.00 1.00 H new ATOM 0 HE2 LYS A 7 3.008 -1.796 -18.466 1.00 1.00 H new ATOM 0 HE3 LYS A 7 2.618 -0.394 -19.442 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.767 -0.155 -18.385 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 3.693 1.020 -17.793 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 4.071 -0.339 -16.847 1.00 1.00 H new ATOM 99 N PRO A 8 -0.607 -2.903 -13.052 1.00 1.00 N ATOM 100 CA PRO A 8 -0.328 -3.252 -11.675 1.00 1.00 C ATOM 101 C PRO A 8 1.102 -3.759 -11.557 1.00 1.00 C ATOM 102 O PRO A 8 1.468 -4.678 -12.287 1.00 1.00 O ATOM 103 CB PRO A 8 -1.330 -4.354 -11.340 1.00 1.00 C ATOM 104 CG PRO A 8 -1.365 -5.114 -12.734 1.00 1.00 C ATOM 105 CD PRO A 8 -1.357 -3.946 -13.717 1.00 1.00 C ATOM 0 HA PRO A 8 -0.422 -2.406 -10.995 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.992 -4.993 -10.524 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -2.305 -3.960 -11.054 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -0.503 -5.768 -12.867 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.255 -5.734 -12.841 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.890 -4.228 -14.661 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -2.370 -3.618 -13.948 1.00 1.00 H new ATOM 113 N VAL A 9 1.871 -3.163 -10.658 1.00 1.00 N ATOM 114 CA VAL A 9 3.252 -3.570 -10.466 1.00 1.00 C ATOM 115 C VAL A 9 3.351 -4.454 -9.221 1.00 1.00 C ATOM 116 O VAL A 9 2.677 -4.204 -8.223 1.00 1.00 O ATOM 117 CB VAL A 9 4.157 -2.338 -10.398 1.00 1.00 C ATOM 118 CG1 VAL A 9 4.219 -1.628 -11.752 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.697 -1.381 -9.297 1.00 1.00 C ATOM 0 H VAL A 9 1.563 -2.401 -10.054 1.00 1.00 H new ATOM 0 HA VAL A 9 3.596 -4.163 -11.314 1.00 1.00 H new ATOM 0 HB VAL A 9 5.164 -2.674 -10.150 1.00 1.00 H new ATOM 0 HG11 VAL A 9 4.869 -0.756 -11.676 1.00 1.00 H new ATOM 0 HG12 VAL A 9 4.615 -2.311 -12.503 1.00 1.00 H new ATOM 0 HG13 VAL A 9 3.218 -1.310 -12.042 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.357 -0.514 -9.270 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.677 -1.055 -9.501 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.729 -1.892 -8.334 1.00 1.00 H new ATOM 129 N GLU A 10 4.197 -5.469 -9.320 1.00 1.00 N ATOM 130 CA GLU A 10 4.392 -6.391 -8.214 1.00 1.00 C ATOM 131 C GLU A 10 5.159 -5.705 -7.081 1.00 1.00 C ATOM 132 O GLU A 10 6.079 -4.927 -7.331 1.00 1.00 O ATOM 133 CB GLU A 10 5.115 -7.657 -8.677 1.00 1.00 C ATOM 134 CG GLU A 10 4.147 -8.838 -8.769 1.00 1.00 C ATOM 135 CD GLU A 10 3.651 -9.030 -10.204 1.00 1.00 C ATOM 136 OE1 GLU A 10 2.612 -8.466 -10.581 1.00 1.00 O ATOM 137 OE2 GLU A 10 4.386 -9.795 -10.938 1.00 1.00 O ATOM 0 H GLU A 10 4.755 -5.673 -10.149 1.00 1.00 H new ATOM 0 HA GLU A 10 3.413 -6.688 -7.837 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.575 -7.482 -9.650 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.920 -7.895 -7.982 1.00 1.00 H new ATOM 0 HG2 GLU A 10 4.643 -9.747 -8.427 1.00 1.00 H new ATOM 0 HG3 GLU A 10 3.298 -8.669 -8.106 1.00 1.00 H new ATOM 145 N VAL A 11 4.752 -6.019 -5.860 1.00 1.00 N ATOM 146 CA VAL A 11 5.389 -5.443 -4.688 1.00 1.00 C ATOM 147 C VAL A 11 6.090 -6.550 -3.898 1.00 1.00 C ATOM 148 O VAL A 11 5.712 -6.844 -2.765 1.00 1.00 O ATOM 149 CB VAL A 11 4.359 -4.675 -3.856 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.031 -3.939 -2.695 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.560 -3.707 -4.731 1.00 1.00 C ATOM 0 H VAL A 11 3.989 -6.665 -5.657 1.00 1.00 H new ATOM 0 HA VAL A 11 6.151 -4.722 -4.983 1.00 1.00 H new ATOM 0 HB VAL A 11 3.661 -5.399 -3.434 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.277 -3.401 -2.120 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.534 -4.659 -2.050 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.761 -3.231 -3.087 1.00 1.00 H new ATOM 0 HG21 VAL A 11 2.835 -3.174 -4.116 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.239 -2.991 -5.195 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.036 -4.265 -5.507 1.00 1.00 H new ATOM 161 N LYS A 12 7.099 -7.135 -4.527 1.00 1.00 N ATOM 162 CA LYS A 12 7.856 -8.203 -3.897 1.00 1.00 C ATOM 163 C LYS A 12 8.055 -7.876 -2.416 1.00 1.00 C ATOM 164 O LYS A 12 8.191 -6.710 -2.046 1.00 1.00 O ATOM 165 CB LYS A 12 9.163 -8.451 -4.653 1.00 1.00 C ATOM 166 CG LYS A 12 8.888 -8.891 -6.093 1.00 1.00 C ATOM 167 CD LYS A 12 8.795 -10.415 -6.193 1.00 1.00 C ATOM 168 CE LYS A 12 8.712 -10.864 -7.653 1.00 1.00 C ATOM 169 NZ LYS A 12 9.783 -11.839 -7.957 1.00 1.00 N ATOM 0 H LYS A 12 7.410 -6.889 -5.467 1.00 1.00 H new ATOM 0 HA LYS A 12 7.304 -9.141 -3.945 1.00 1.00 H new ATOM 0 HB2 LYS A 12 9.764 -7.542 -4.655 1.00 1.00 H new ATOM 0 HB3 LYS A 12 9.745 -9.217 -4.140 1.00 1.00 H new ATOM 0 HG2 LYS A 12 7.958 -8.443 -6.443 1.00 1.00 H new ATOM 0 HG3 LYS A 12 9.682 -8.528 -6.746 1.00 1.00 H new ATOM 0 HD2 LYS A 12 9.665 -10.868 -5.718 1.00 1.00 H new ATOM 0 HD3 LYS A 12 7.917 -10.766 -5.650 1.00 1.00 H new ATOM 0 HE2 LYS A 12 7.738 -11.313 -7.847 1.00 1.00 H new ATOM 0 HE3 LYS A 12 8.801 -10.000 -8.311 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 9.712 -12.133 -8.952 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 10.711 -11.399 -7.791 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 9.680 -12.671 -7.342 1.00 1.00 H new ATOM 182 N GLY A 13 8.066 -8.925 -1.607 1.00 1.00 N ATOM 183 CA GLY A 13 8.246 -8.764 -0.174 1.00 1.00 C ATOM 184 C GLY A 13 9.061 -9.920 0.409 1.00 1.00 C ATOM 185 O GLY A 13 9.909 -10.494 -0.274 1.00 1.00 O ATOM 0 H GLY A 13 7.953 -9.890 -1.917 1.00 1.00 H new ATOM 0 HA2 GLY A 13 8.751 -7.820 0.029 1.00 1.00 H new ATOM 0 HA3 GLY A 13 7.273 -8.717 0.315 1.00 1.00 H new ATOM 189 N SER A 14 8.777 -10.228 1.666 1.00 1.00 N ATOM 190 CA SER A 14 9.473 -11.305 2.349 1.00 1.00 C ATOM 191 C SER A 14 9.302 -12.613 1.574 1.00 1.00 C ATOM 192 O SER A 14 10.236 -13.081 0.925 1.00 1.00 O ATOM 193 CB SER A 14 8.964 -11.468 3.783 1.00 1.00 C ATOM 194 OG SER A 14 8.656 -12.825 4.089 1.00 1.00 O ATOM 0 H SER A 14 8.074 -9.750 2.230 1.00 1.00 H new ATOM 0 HA SER A 14 10.532 -11.052 2.394 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.718 -11.102 4.479 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.075 -10.854 3.924 1.00 1.00 H new ATOM 0 HG SER A 14 8.336 -12.887 5.013 1.00 1.00 H new ATOM 200 N GLN A 15 8.101 -13.166 1.666 1.00 1.00 N ATOM 201 CA GLN A 15 7.796 -14.410 0.981 1.00 1.00 C ATOM 202 C GLN A 15 6.337 -14.419 0.520 1.00 1.00 C ATOM 203 O GLN A 15 5.628 -15.406 0.709 1.00 1.00 O ATOM 204 CB GLN A 15 8.095 -15.616 1.875 1.00 1.00 C ATOM 205 CG GLN A 15 8.585 -16.805 1.046 1.00 1.00 C ATOM 206 CD GLN A 15 10.085 -17.030 1.246 1.00 1.00 C ATOM 207 OE1 GLN A 15 10.854 -17.139 0.304 1.00 1.00 O ATOM 208 NE2 GLN A 15 10.458 -17.095 2.521 1.00 1.00 N ATOM 0 H GLN A 15 7.328 -12.775 2.205 1.00 1.00 H new ATOM 0 HA GLN A 15 8.435 -14.483 0.101 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.850 -15.347 2.614 1.00 1.00 H new ATOM 0 HB3 GLN A 15 7.197 -15.897 2.425 1.00 1.00 H new ATOM 0 HG2 GLN A 15 8.037 -17.703 1.332 1.00 1.00 H new ATOM 0 HG3 GLN A 15 8.377 -16.628 -0.009 1.00 1.00 H new ATOM 0 HE21 GLN A 15 9.763 -16.996 3.261 1.00 1.00 H new ATOM 0 HE22 GLN A 15 11.439 -17.244 2.759 1.00 1.00 H new ATOM 217 N LYS A 16 5.931 -13.306 -0.075 1.00 1.00 N ATOM 218 CA LYS A 16 4.570 -13.173 -0.564 1.00 1.00 C ATOM 219 C LYS A 16 4.503 -12.016 -1.563 1.00 1.00 C ATOM 220 O LYS A 16 4.629 -10.854 -1.182 1.00 1.00 O ATOM 221 CB LYS A 16 3.592 -13.034 0.604 1.00 1.00 C ATOM 222 CG LYS A 16 2.398 -13.976 0.435 1.00 1.00 C ATOM 223 CD LYS A 16 1.372 -13.767 1.550 1.00 1.00 C ATOM 224 CE LYS A 16 1.683 -14.658 2.755 1.00 1.00 C ATOM 225 NZ LYS A 16 1.483 -13.911 4.017 1.00 1.00 N ATOM 0 H LYS A 16 6.521 -12.489 -0.229 1.00 1.00 H new ATOM 0 HA LYS A 16 4.267 -14.074 -1.097 1.00 1.00 H new ATOM 0 HB2 LYS A 16 4.104 -13.255 1.540 1.00 1.00 H new ATOM 0 HB3 LYS A 16 3.241 -12.004 0.668 1.00 1.00 H new ATOM 0 HG2 LYS A 16 1.928 -13.803 -0.533 1.00 1.00 H new ATOM 0 HG3 LYS A 16 2.742 -15.010 0.442 1.00 1.00 H new ATOM 0 HD2 LYS A 16 1.371 -12.721 1.857 1.00 1.00 H new ATOM 0 HD3 LYS A 16 0.373 -13.990 1.176 1.00 1.00 H new ATOM 0 HE2 LYS A 16 1.039 -15.538 2.740 1.00 1.00 H new ATOM 0 HE3 LYS A 16 2.711 -15.014 2.695 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 1.698 -14.530 4.825 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 2.115 -13.085 4.036 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 0.495 -13.592 4.079 1.00 1.00 H new ATOM 238 N THR A 17 4.304 -12.375 -2.823 1.00 1.00 N ATOM 239 CA THR A 17 4.219 -11.382 -3.880 1.00 1.00 C ATOM 240 C THR A 17 2.813 -10.780 -3.933 1.00 1.00 C ATOM 241 O THR A 17 1.821 -11.504 -3.871 1.00 1.00 O ATOM 242 CB THR A 17 4.645 -12.047 -5.190 1.00 1.00 C ATOM 243 OG1 THR A 17 5.952 -12.545 -4.917 1.00 1.00 O ATOM 244 CG2 THR A 17 4.860 -11.035 -6.317 1.00 1.00 C ATOM 0 H THR A 17 4.199 -13.340 -3.135 1.00 1.00 H new ATOM 0 HA THR A 17 4.891 -10.545 -3.691 1.00 1.00 H new ATOM 0 HB THR A 17 3.889 -12.772 -5.492 1.00 1.00 H new ATOM 0 HG1 THR A 17 6.304 -12.994 -5.714 1.00 1.00 H new ATOM 0 HG21 THR A 17 5.161 -11.559 -7.224 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.932 -10.494 -6.502 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.640 -10.330 -6.029 1.00 1.00 H new ATOM 252 N VAL A 18 2.773 -9.460 -4.048 1.00 1.00 N ATOM 253 CA VAL A 18 1.505 -8.753 -4.111 1.00 1.00 C ATOM 254 C VAL A 18 1.601 -7.635 -5.151 1.00 1.00 C ATOM 255 O VAL A 18 2.516 -6.815 -5.103 1.00 1.00 O ATOM 256 CB VAL A 18 1.120 -8.244 -2.720 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.255 -7.574 -2.742 1.00 1.00 C ATOM 258 CG2 VAL A 18 1.162 -9.376 -1.691 1.00 1.00 C ATOM 0 H VAL A 18 3.598 -8.862 -4.099 1.00 1.00 H new ATOM 0 HA VAL A 18 0.708 -9.425 -4.429 1.00 1.00 H new ATOM 0 HB VAL A 18 1.853 -7.494 -2.423 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.504 -7.222 -1.741 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.237 -6.729 -3.430 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.005 -8.293 -3.070 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.884 -8.988 -0.711 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.462 -10.159 -1.983 1.00 1.00 H new ATOM 0 HG23 VAL A 18 2.170 -9.789 -1.645 1.00 1.00 H new ATOM 268 N MET A 19 0.643 -7.638 -6.066 1.00 1.00 N ATOM 269 CA MET A 19 0.608 -6.634 -7.116 1.00 1.00 C ATOM 270 C MET A 19 -0.452 -5.570 -6.822 1.00 1.00 C ATOM 271 O MET A 19 -1.565 -5.895 -6.410 1.00 1.00 O ATOM 272 CB MET A 19 0.299 -7.306 -8.455 1.00 1.00 C ATOM 273 CG MET A 19 -1.138 -7.830 -8.487 1.00 1.00 C ATOM 274 SD MET A 19 -1.209 -9.360 -9.404 1.00 1.00 S ATOM 275 CE MET A 19 -2.925 -9.787 -9.161 1.00 1.00 C ATOM 0 H MET A 19 -0.115 -8.320 -6.102 1.00 1.00 H new ATOM 0 HA MET A 19 1.582 -6.147 -7.160 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.448 -6.594 -9.266 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.994 -8.129 -8.622 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.499 -7.988 -7.471 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.794 -7.090 -8.946 1.00 1.00 H new ATOM 0 HE1 MET A 19 -3.142 -10.725 -9.672 1.00 1.00 H new ATOM 0 HE2 MET A 19 -3.125 -9.900 -8.095 1.00 1.00 H new ATOM 0 HE3 MET A 19 -3.557 -8.998 -9.567 1.00 1.00 H new ATOM 285 N PHE A 20 -0.069 -4.322 -7.046 1.00 1.00 N ATOM 286 CA PHE A 20 -0.973 -3.208 -6.810 1.00 1.00 C ATOM 287 C PHE A 20 -1.260 -2.451 -8.108 1.00 1.00 C ATOM 288 O PHE A 20 -0.362 -1.963 -8.791 1.00 1.00 O ATOM 289 CB PHE A 20 -0.275 -2.266 -5.828 1.00 1.00 C ATOM 290 CG PHE A 20 -0.864 -0.854 -5.794 1.00 1.00 C ATOM 291 CD1 PHE A 20 -1.944 -0.586 -5.011 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.308 0.132 -6.547 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.490 0.724 -4.980 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.855 1.443 -6.516 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.935 1.711 -5.733 1.00 1.00 C ATOM 0 H PHE A 20 0.855 -4.057 -7.388 1.00 1.00 H new ATOM 0 HA PHE A 20 -1.921 -3.575 -6.417 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.329 -2.695 -4.828 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.781 -2.202 -6.090 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.386 -1.370 -4.413 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.549 -0.081 -7.169 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.347 0.937 -4.358 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.414 2.227 -7.114 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.351 2.707 -5.710 1.00 1.00 H new ATOM 305 N PRO A 21 -2.551 -2.364 -8.437 1.00 1.00 N ATOM 306 CA PRO A 21 -3.048 -1.693 -9.619 1.00 1.00 C ATOM 307 C PRO A 21 -3.268 -0.218 -9.314 1.00 1.00 C ATOM 308 O PRO A 21 -3.778 0.104 -8.243 1.00 1.00 O ATOM 309 CB PRO A 21 -4.370 -2.388 -9.937 1.00 1.00 C ATOM 310 CG PRO A 21 -4.894 -2.638 -8.468 1.00 1.00 C ATOM 311 CD PRO A 21 -3.632 -2.926 -7.657 1.00 1.00 C ATOM 0 HA PRO A 21 -2.355 -1.745 -10.459 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.043 -1.760 -10.521 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.233 -3.314 -10.496 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.424 -1.767 -8.082 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.589 -3.477 -8.432 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.685 -2.469 -6.669 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.495 -3.997 -7.506 1.00 1.00 H new ATOM 319 N HIS A 22 -2.882 0.650 -10.250 1.00 1.00 N ATOM 320 CA HIS A 22 -3.026 2.093 -10.100 1.00 1.00 C ATOM 321 C HIS A 22 -4.417 2.532 -10.593 1.00 1.00 C ATOM 322 O HIS A 22 -4.995 3.476 -10.057 1.00 1.00 O ATOM 323 CB HIS A 22 -1.856 2.787 -10.812 1.00 1.00 C ATOM 324 CG HIS A 22 -0.644 3.112 -9.969 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.495 2.419 -10.049 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.434 4.086 -9.022 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.382 2.940 -9.186 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.859 3.972 -8.526 1.00 1.00 N ATOM 0 H HIS A 22 -2.460 0.368 -11.135 1.00 1.00 H new ATOM 0 HA HIS A 22 -2.976 2.391 -9.053 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.536 2.152 -11.638 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.226 3.715 -11.248 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.664 1.624 -10.665 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.160 4.824 -8.712 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.387 2.571 -9.046 1.00 1.00 H new ATOM 336 N ALA A 23 -4.908 1.827 -11.602 1.00 1.00 N ATOM 337 CA ALA A 23 -6.213 2.134 -12.165 1.00 1.00 C ATOM 338 C ALA A 23 -7.227 2.294 -11.030 1.00 1.00 C ATOM 339 O ALA A 23 -7.913 3.307 -10.907 1.00 1.00 O ATOM 340 CB ALA A 23 -6.613 1.038 -13.154 1.00 1.00 C ATOM 0 H ALA A 23 -4.426 1.044 -12.044 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.183 3.074 -12.716 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.591 1.268 -13.576 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -5.876 0.984 -13.955 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.657 0.080 -12.637 1.00 1.00 H new ATOM 346 N PRO A 24 -7.307 1.257 -10.194 1.00 1.00 N ATOM 347 CA PRO A 24 -8.196 1.195 -9.054 1.00 1.00 C ATOM 348 C PRO A 24 -7.798 2.257 -8.038 1.00 1.00 C ATOM 349 O PRO A 24 -8.493 2.421 -7.038 1.00 1.00 O ATOM 350 CB PRO A 24 -8.003 -0.208 -8.483 1.00 1.00 C ATOM 351 CG PRO A 24 -7.338 -1.029 -9.612 1.00 1.00 C ATOM 352 CD PRO A 24 -6.516 0.051 -10.310 1.00 1.00 C ATOM 0 HA PRO A 24 -9.237 1.380 -9.317 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.375 -0.186 -7.592 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -8.957 -0.646 -8.189 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.715 -1.835 -9.224 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.071 -1.484 -10.278 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.541 0.172 -9.838 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.335 -0.204 -11.354 1.00 1.00 H new ATOM 360 N HIS A 25 -6.694 2.955 -8.305 1.00 1.00 N ATOM 361 CA HIS A 25 -6.188 4.003 -7.426 1.00 1.00 C ATOM 362 C HIS A 25 -5.819 5.246 -8.256 1.00 1.00 C ATOM 363 O HIS A 25 -4.819 5.904 -7.973 1.00 1.00 O ATOM 364 CB HIS A 25 -5.032 3.435 -6.590 1.00 1.00 C ATOM 365 CG HIS A 25 -5.342 2.233 -5.729 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.184 0.978 -6.160 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.810 2.138 -4.440 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.538 0.134 -5.179 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.933 0.798 -4.094 1.00 1.00 N ATOM 0 H HIS A 25 -6.126 2.807 -9.139 1.00 1.00 H new ATOM 0 HA HIS A 25 -6.950 4.335 -6.721 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.222 3.168 -7.268 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.658 4.229 -5.944 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.849 0.706 -7.084 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.045 2.974 -3.797 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.507 -0.943 -5.259 1.00 1.00 H new ATOM 377 N GLU A 26 -6.643 5.526 -9.255 1.00 1.00 N ATOM 378 CA GLU A 26 -6.412 6.673 -10.117 1.00 1.00 C ATOM 379 C GLU A 26 -7.331 7.829 -9.720 1.00 1.00 C ATOM 380 O GLU A 26 -7.394 8.843 -10.414 1.00 1.00 O ATOM 381 CB GLU A 26 -6.603 6.300 -11.589 1.00 1.00 C ATOM 382 CG GLU A 26 -6.620 7.548 -12.473 1.00 1.00 C ATOM 383 CD GLU A 26 -6.109 7.231 -13.880 1.00 1.00 C ATOM 384 OE1 GLU A 26 -5.253 6.349 -14.044 1.00 1.00 O ATOM 385 OE2 GLU A 26 -6.636 7.936 -14.823 1.00 1.00 O ATOM 0 H GLU A 26 -7.472 4.978 -9.487 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.379 6.996 -9.990 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -5.799 5.636 -11.907 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.537 5.751 -11.711 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -7.634 7.943 -12.531 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -6.001 8.325 -12.024 1.00 1.00 H new ATOM 393 N LYS A 27 -8.022 7.638 -8.606 1.00 1.00 N ATOM 394 CA LYS A 27 -8.935 8.653 -8.108 1.00 1.00 C ATOM 395 C LYS A 27 -8.483 9.102 -6.717 1.00 1.00 C ATOM 396 O LYS A 27 -9.061 10.021 -6.139 1.00 1.00 O ATOM 397 CB LYS A 27 -10.377 8.143 -8.152 1.00 1.00 C ATOM 398 CG LYS A 27 -11.105 8.662 -9.394 1.00 1.00 C ATOM 399 CD LYS A 27 -11.912 9.922 -9.070 1.00 1.00 C ATOM 400 CE LYS A 27 -13.398 9.595 -8.911 1.00 1.00 C ATOM 401 NZ LYS A 27 -14.208 10.389 -9.861 1.00 1.00 N ATOM 0 H LYS A 27 -7.968 6.795 -8.034 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.913 9.534 -8.750 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.381 7.053 -8.153 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.907 8.463 -7.255 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.381 8.881 -10.179 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -11.770 7.889 -9.780 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -11.535 10.374 -8.152 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -11.781 10.657 -9.864 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -13.563 8.531 -9.084 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -13.715 9.805 -7.890 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -15.214 10.155 -9.740 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -14.064 11.402 -9.677 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -13.916 10.169 -10.835 1.00 1.00 H new ATOM 414 N VAL A 28 -7.454 8.432 -6.220 1.00 1.00 N ATOM 415 CA VAL A 28 -6.918 8.750 -4.907 1.00 1.00 C ATOM 416 C VAL A 28 -5.632 9.562 -5.070 1.00 1.00 C ATOM 417 O VAL A 28 -4.654 9.077 -5.637 1.00 1.00 O ATOM 418 CB VAL A 28 -6.717 7.467 -4.099 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.307 7.785 -2.659 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.974 6.595 -4.132 1.00 1.00 C ATOM 0 H VAL A 28 -6.977 7.670 -6.703 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.622 9.364 -4.345 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.907 6.903 -4.561 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.170 6.856 -2.106 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.372 8.346 -2.662 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.086 8.380 -2.182 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.804 5.689 -3.550 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.812 7.148 -3.707 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.203 6.326 -5.163 1.00 1.00 H new ATOM 430 N GLU A 29 -5.673 10.785 -4.562 1.00 1.00 N ATOM 431 CA GLU A 29 -4.523 11.669 -4.643 1.00 1.00 C ATOM 432 C GLU A 29 -3.232 10.884 -4.407 1.00 1.00 C ATOM 433 O GLU A 29 -3.153 10.076 -3.482 1.00 1.00 O ATOM 434 CB GLU A 29 -4.650 12.827 -3.651 1.00 1.00 C ATOM 435 CG GLU A 29 -4.730 14.169 -4.382 1.00 1.00 C ATOM 436 CD GLU A 29 -3.336 14.764 -4.591 1.00 1.00 C ATOM 437 OE1 GLU A 29 -2.757 15.330 -3.651 1.00 1.00 O ATOM 438 OE2 GLU A 29 -2.855 14.623 -5.779 1.00 1.00 O ATOM 0 H GLU A 29 -6.485 11.185 -4.092 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.488 12.095 -5.646 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.541 12.689 -3.038 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.795 12.827 -2.975 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -5.220 14.033 -5.346 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.343 14.864 -3.808 1.00 1.00 H new ATOM 446 N CYS A 30 -2.252 11.147 -5.259 1.00 1.00 N ATOM 447 CA CYS A 30 -0.968 10.475 -5.154 1.00 1.00 C ATOM 448 C CYS A 30 -0.488 10.579 -3.705 1.00 1.00 C ATOM 449 O CYS A 30 -0.302 9.565 -3.034 1.00 1.00 O ATOM 450 CB CYS A 30 0.054 11.050 -6.136 1.00 1.00 C ATOM 451 SG CYS A 30 -0.595 11.374 -7.817 1.00 1.00 S ATOM 0 H CYS A 30 -2.321 11.817 -6.025 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.082 9.425 -5.424 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.446 11.981 -5.727 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.893 10.358 -6.213 1.00 1.00 H new ATOM 456 N VAL A 31 -0.301 11.815 -3.264 1.00 1.00 N ATOM 457 CA VAL A 31 0.154 12.065 -1.907 1.00 1.00 C ATOM 458 C VAL A 31 -0.548 11.097 -0.952 1.00 1.00 C ATOM 459 O VAL A 31 0.105 10.402 -0.176 1.00 1.00 O ATOM 460 CB VAL A 31 -0.071 13.534 -1.543 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.540 13.924 -1.718 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.408 13.824 -0.119 1.00 1.00 C ATOM 0 H VAL A 31 -0.456 12.654 -3.823 1.00 1.00 H new ATOM 0 HA VAL A 31 1.226 11.884 -1.823 1.00 1.00 H new ATOM 0 HB VAL A 31 0.520 14.143 -2.227 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.672 14.973 -1.453 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.836 13.772 -2.756 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -2.160 13.305 -1.070 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.237 14.875 0.115 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -0.144 13.201 0.585 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.473 13.603 -0.041 1.00 1.00 H new ATOM 472 N THR A 32 -1.870 11.084 -1.040 1.00 1.00 N ATOM 473 CA THR A 32 -2.668 10.214 -0.194 1.00 1.00 C ATOM 474 C THR A 32 -1.959 8.874 0.012 1.00 1.00 C ATOM 475 O THR A 32 -2.090 8.253 1.066 1.00 1.00 O ATOM 476 CB THR A 32 -4.053 10.077 -0.828 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.362 11.395 -1.275 1.00 1.00 O ATOM 478 CG2 THR A 32 -5.141 9.769 0.202 1.00 1.00 C ATOM 0 H THR A 32 -2.408 11.663 -1.685 1.00 1.00 H new ATOM 0 HA THR A 32 -2.792 10.637 0.803 1.00 1.00 H new ATOM 0 HB THR A 32 -4.031 9.288 -1.580 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.307 11.586 -1.101 1.00 1.00 H new ATOM 0 HG21 THR A 32 -6.104 9.682 -0.301 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.909 8.831 0.707 1.00 1.00 H new ATOM 0 HG23 THR A 32 -5.186 10.574 0.935 1.00 1.00 H new ATOM 486 N CYS A 33 -1.222 8.467 -1.012 1.00 1.00 N ATOM 487 CA CYS A 33 -0.492 7.212 -0.957 1.00 1.00 C ATOM 488 C CYS A 33 1.003 7.529 -0.889 1.00 1.00 C ATOM 489 O CYS A 33 1.704 7.068 0.009 1.00 1.00 O ATOM 490 CB CYS A 33 -0.831 6.308 -2.144 1.00 1.00 C ATOM 491 SG CYS A 33 -1.997 4.999 -1.621 1.00 1.00 S ATOM 0 H CYS A 33 -1.115 8.985 -1.884 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.785 6.656 -0.066 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.271 6.899 -2.947 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.079 5.858 -2.541 1.00 1.00 H new ATOM 496 N HIS A 34 1.456 8.322 -1.861 1.00 1.00 N ATOM 497 CA HIS A 34 2.852 8.733 -1.961 1.00 1.00 C ATOM 498 C HIS A 34 3.103 9.950 -1.053 1.00 1.00 C ATOM 499 O HIS A 34 3.223 11.074 -1.534 1.00 1.00 O ATOM 500 CB HIS A 34 3.196 8.966 -3.440 1.00 1.00 C ATOM 501 CG HIS A 34 3.172 7.754 -4.342 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.170 6.865 -4.379 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.234 7.313 -5.244 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.865 5.908 -5.269 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.680 6.136 -5.833 1.00 1.00 N ATOM 0 H HIS A 34 0.862 8.697 -2.601 1.00 1.00 H new ATOM 0 HA HIS A 34 3.524 7.954 -1.602 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.498 9.701 -3.840 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.190 9.409 -3.492 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.023 6.907 -3.822 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.297 7.804 -5.461 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.498 5.063 -5.498 1.00 1.00 H new ATOM 513 N HIS A 35 3.175 9.683 0.252 1.00 1.00 N ATOM 514 CA HIS A 35 3.409 10.712 1.259 1.00 1.00 C ATOM 515 C HIS A 35 4.603 11.589 0.840 1.00 1.00 C ATOM 516 O HIS A 35 5.421 11.170 0.022 1.00 1.00 O ATOM 517 CB HIS A 35 3.570 10.038 2.630 1.00 1.00 C ATOM 518 CG HIS A 35 4.860 9.290 2.872 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.056 9.884 2.827 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.101 7.968 3.164 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.005 8.969 3.081 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.470 7.769 3.296 1.00 1.00 N ATOM 0 H HIS A 35 3.072 8.745 0.638 1.00 1.00 H new ATOM 0 HA HIS A 35 2.560 11.390 1.342 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.472 10.804 3.399 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.742 9.342 2.766 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.221 10.871 2.632 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.345 7.204 3.274 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.064 9.179 3.107 1.00 1.00 H new ATOM 530 N LEU A 36 4.663 12.779 1.418 1.00 1.00 N ATOM 531 CA LEU A 36 5.740 13.706 1.113 1.00 1.00 C ATOM 532 C LEU A 36 6.961 13.361 1.968 1.00 1.00 C ATOM 533 O LEU A 36 6.822 12.842 3.074 1.00 1.00 O ATOM 534 CB LEU A 36 5.264 15.151 1.275 1.00 1.00 C ATOM 535 CG LEU A 36 3.802 15.421 0.913 1.00 1.00 C ATOM 536 CD1 LEU A 36 2.970 15.701 2.165 1.00 1.00 C ATOM 537 CD2 LEU A 36 3.691 16.550 -0.114 1.00 1.00 C ATOM 0 H LEU A 36 3.983 13.123 2.096 1.00 1.00 H new ATOM 0 HA LEU A 36 6.043 13.609 0.070 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.422 15.451 2.311 1.00 1.00 H new ATOM 0 HB3 LEU A 36 5.894 15.791 0.658 1.00 1.00 H new ATOM 0 HG LEU A 36 3.393 14.523 0.450 1.00 1.00 H new ATOM 0 HD11 LEU A 36 1.935 15.890 1.879 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.012 14.838 2.830 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.369 16.575 2.679 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.642 16.722 -0.354 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.123 17.462 0.299 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.230 16.272 -1.020 1.00 1.00 H new ATOM 549 N VAL A 37 8.130 13.664 1.422 1.00 1.00 N ATOM 550 CA VAL A 37 9.375 13.392 2.121 1.00 1.00 C ATOM 551 C VAL A 37 10.183 14.686 2.234 1.00 1.00 C ATOM 552 O VAL A 37 10.648 15.222 1.229 1.00 1.00 O ATOM 553 CB VAL A 37 10.138 12.270 1.414 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.529 12.085 2.023 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.345 10.962 1.448 1.00 1.00 C ATOM 0 H VAL A 37 8.241 14.095 0.504 1.00 1.00 H new ATOM 0 HA VAL A 37 9.176 13.043 3.134 1.00 1.00 H new ATOM 0 HB VAL A 37 10.265 12.557 0.370 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.050 11.282 1.502 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.096 13.010 1.923 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.433 11.831 3.079 1.00 1.00 H new ATOM 0 HG21 VAL A 37 9.910 10.181 0.939 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.172 10.668 2.483 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.388 11.104 0.946 1.00 1.00 H new ATOM 565 N ASP A 38 10.327 15.151 3.466 1.00 1.00 N ATOM 566 CA ASP A 38 11.072 16.372 3.724 1.00 1.00 C ATOM 567 C ASP A 38 10.524 17.494 2.841 1.00 1.00 C ATOM 568 O ASP A 38 11.288 18.291 2.298 1.00 1.00 O ATOM 569 CB ASP A 38 12.555 16.192 3.394 1.00 1.00 C ATOM 570 CG ASP A 38 13.377 15.487 4.475 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.497 15.978 5.607 1.00 1.00 O ATOM 572 OD2 ASP A 38 13.915 14.373 4.111 1.00 1.00 O ATOM 0 H ASP A 38 9.940 14.704 4.297 1.00 1.00 H new ATOM 0 HA ASP A 38 10.965 16.616 4.781 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.639 15.625 2.467 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.992 17.173 3.208 1.00 1.00 H new ATOM 578 N GLY A 39 9.204 17.521 2.724 1.00 1.00 N ATOM 579 CA GLY A 39 8.545 18.533 1.915 1.00 1.00 C ATOM 580 C GLY A 39 9.058 18.503 0.474 1.00 1.00 C ATOM 581 O GLY A 39 9.106 19.536 -0.192 1.00 1.00 O ATOM 0 H GLY A 39 8.573 16.859 3.176 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.468 18.367 1.925 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.719 19.519 2.346 1.00 1.00 H new ATOM 585 N LYS A 40 9.429 17.309 0.036 1.00 1.00 N ATOM 586 CA LYS A 40 9.937 17.132 -1.314 1.00 1.00 C ATOM 587 C LYS A 40 9.219 15.953 -1.973 1.00 1.00 C ATOM 588 O LYS A 40 9.638 14.806 -1.828 1.00 1.00 O ATOM 589 CB LYS A 40 11.460 16.994 -1.299 1.00 1.00 C ATOM 590 CG LYS A 40 12.119 18.091 -2.138 1.00 1.00 C ATOM 591 CD LYS A 40 13.608 18.214 -1.809 1.00 1.00 C ATOM 592 CE LYS A 40 14.443 17.282 -2.689 1.00 1.00 C ATOM 593 NZ LYS A 40 14.712 16.008 -1.985 1.00 1.00 N ATOM 0 H LYS A 40 9.388 16.455 0.592 1.00 1.00 H new ATOM 0 HA LYS A 40 9.726 18.013 -1.920 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.823 17.048 -0.273 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.744 16.015 -1.686 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.994 17.867 -3.198 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.622 19.043 -1.953 1.00 1.00 H new ATOM 0 HD2 LYS A 40 13.932 19.244 -1.954 1.00 1.00 H new ATOM 0 HD3 LYS A 40 13.773 17.973 -0.759 1.00 1.00 H new ATOM 0 HE2 LYS A 40 13.916 17.084 -3.622 1.00 1.00 H new ATOM 0 HE3 LYS A 40 15.384 17.766 -2.951 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 14.935 15.268 -2.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 15.518 16.131 -1.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 13.872 15.729 -1.440 1.00 1.00 H new ATOM 606 N GLU A 41 8.148 16.276 -2.684 1.00 1.00 N ATOM 607 CA GLU A 41 7.368 15.258 -3.367 1.00 1.00 C ATOM 608 C GLU A 41 8.293 14.268 -4.078 1.00 1.00 C ATOM 609 O GLU A 41 9.125 14.665 -4.892 1.00 1.00 O ATOM 610 CB GLU A 41 6.382 15.891 -4.351 1.00 1.00 C ATOM 611 CG GLU A 41 7.082 16.914 -5.247 1.00 1.00 C ATOM 612 CD GLU A 41 6.340 17.078 -6.575 1.00 1.00 C ATOM 613 OE1 GLU A 41 6.788 16.552 -7.605 1.00 1.00 O ATOM 614 OE2 GLU A 41 5.260 17.781 -6.512 1.00 1.00 O ATOM 0 H GLU A 41 7.802 17.228 -2.802 1.00 1.00 H new ATOM 0 HA GLU A 41 6.788 14.713 -2.623 1.00 1.00 H new ATOM 0 HB2 GLU A 41 5.927 15.114 -4.966 1.00 1.00 H new ATOM 0 HB3 GLU A 41 5.575 16.376 -3.802 1.00 1.00 H new ATOM 0 HG2 GLU A 41 7.135 17.875 -4.735 1.00 1.00 H new ATOM 0 HG3 GLU A 41 8.107 16.596 -5.436 1.00 1.00 H new ATOM 622 N SER A 42 8.117 12.998 -3.744 1.00 1.00 N ATOM 623 CA SER A 42 8.925 11.948 -4.341 1.00 1.00 C ATOM 624 C SER A 42 8.034 10.781 -4.770 1.00 1.00 C ATOM 625 O SER A 42 6.919 10.599 -4.286 1.00 1.00 O ATOM 626 CB SER A 42 10.003 11.464 -3.369 1.00 1.00 C ATOM 627 OG SER A 42 10.792 10.416 -3.926 1.00 1.00 O ATOM 0 H SER A 42 7.427 12.672 -3.067 1.00 1.00 H new ATOM 0 HA SER A 42 9.423 12.357 -5.220 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.649 12.299 -3.098 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.532 11.114 -2.450 1.00 1.00 H new ATOM 0 HG SER A 42 11.470 10.136 -3.276 1.00 1.00 H new ATOM 633 N TYR A 43 8.558 9.984 -5.703 1.00 1.00 N ATOM 634 CA TYR A 43 7.840 8.836 -6.218 1.00 1.00 C ATOM 635 C TYR A 43 8.810 7.691 -6.472 1.00 1.00 C ATOM 636 O TYR A 43 8.871 7.202 -7.599 1.00 1.00 O ATOM 637 CB TYR A 43 7.114 9.225 -7.502 1.00 1.00 C ATOM 638 CG TYR A 43 6.081 10.309 -7.306 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.483 11.644 -7.177 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.722 9.979 -7.254 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.526 12.649 -6.996 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.764 10.985 -7.073 1.00 1.00 C ATOM 643 CZ TYR A 43 4.166 12.319 -6.944 1.00 1.00 C ATOM 644 OH TYR A 43 3.233 13.299 -6.768 1.00 1.00 O ATOM 0 H TYR A 43 9.482 10.121 -6.114 1.00 1.00 H new ATOM 0 HA TYR A 43 7.103 8.505 -5.486 1.00 1.00 H new ATOM 0 HB2 TYR A 43 7.846 9.561 -8.236 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.628 8.342 -7.917 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.532 11.898 -7.217 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.412 8.949 -7.353 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.836 13.679 -6.896 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.715 10.731 -7.033 1.00 1.00 H new ATOM 0 HH TYR A 43 2.338 12.900 -6.756 1.00 1.00 H new ATOM 654 N ALA A 44 9.538 7.290 -5.440 1.00 1.00 N ATOM 655 CA ALA A 44 10.495 6.205 -5.575 1.00 1.00 C ATOM 656 C ALA A 44 9.858 4.905 -5.079 1.00 1.00 C ATOM 657 O ALA A 44 9.021 4.924 -4.177 1.00 1.00 O ATOM 658 CB ALA A 44 11.775 6.554 -4.814 1.00 1.00 C ATOM 0 H ALA A 44 9.484 7.697 -4.506 1.00 1.00 H new ATOM 0 HA ALA A 44 10.767 6.062 -6.621 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.492 5.740 -4.916 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.204 7.469 -5.224 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.542 6.703 -3.760 1.00 1.00 H new ATOM 664 N LYS A 45 10.278 3.807 -5.690 1.00 1.00 N ATOM 665 CA LYS A 45 9.759 2.500 -5.322 1.00 1.00 C ATOM 666 C LYS A 45 9.608 2.427 -3.801 1.00 1.00 C ATOM 667 O LYS A 45 10.435 2.963 -3.065 1.00 1.00 O ATOM 668 CB LYS A 45 10.636 1.391 -5.907 1.00 1.00 C ATOM 669 CG LYS A 45 9.888 0.618 -6.995 1.00 1.00 C ATOM 670 CD LYS A 45 10.604 -0.693 -7.326 1.00 1.00 C ATOM 671 CE LYS A 45 9.778 -1.538 -8.298 1.00 1.00 C ATOM 672 NZ LYS A 45 10.648 -2.490 -9.024 1.00 1.00 N ATOM 0 H LYS A 45 10.972 3.795 -6.438 1.00 1.00 H new ATOM 0 HA LYS A 45 8.768 2.349 -5.749 1.00 1.00 H new ATOM 0 HB2 LYS A 45 11.546 1.823 -6.323 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.941 0.708 -5.115 1.00 1.00 H new ATOM 0 HG2 LYS A 45 8.871 0.408 -6.663 1.00 1.00 H new ATOM 0 HG3 LYS A 45 9.810 1.231 -7.893 1.00 1.00 H new ATOM 0 HD2 LYS A 45 11.579 -0.479 -7.763 1.00 1.00 H new ATOM 0 HD3 LYS A 45 10.782 -1.256 -6.410 1.00 1.00 H new ATOM 0 HE2 LYS A 45 9.008 -2.083 -7.752 1.00 1.00 H new ATOM 0 HE3 LYS A 45 9.266 -0.889 -9.009 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 10.072 -3.056 -9.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 11.367 -1.964 -9.560 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 11.117 -3.120 -8.343 1.00 1.00 H new ATOM 685 N CYS A 46 8.546 1.759 -3.376 1.00 1.00 N ATOM 686 CA CYS A 46 8.276 1.608 -1.956 1.00 1.00 C ATOM 687 C CYS A 46 9.547 1.096 -1.277 1.00 1.00 C ATOM 688 O CYS A 46 9.852 1.483 -0.150 1.00 1.00 O ATOM 689 CB CYS A 46 7.082 0.685 -1.702 1.00 1.00 C ATOM 690 SG CYS A 46 5.867 1.318 -0.489 1.00 1.00 S ATOM 0 H CYS A 46 7.862 1.316 -3.990 1.00 1.00 H new ATOM 0 HA CYS A 46 8.002 2.574 -1.531 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.571 0.507 -2.648 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.453 -0.279 -1.354 1.00 1.00 H new ATOM 695 N GLY A 47 10.255 0.233 -1.991 1.00 1.00 N ATOM 696 CA GLY A 47 11.486 -0.336 -1.471 1.00 1.00 C ATOM 697 C GLY A 47 12.709 0.365 -2.067 1.00 1.00 C ATOM 698 O GLY A 47 13.615 -0.290 -2.581 1.00 1.00 O ATOM 0 H GLY A 47 9.999 -0.086 -2.926 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.503 -0.244 -0.385 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.524 -1.401 -1.701 1.00 1.00 H new ATOM 702 N SER A 48 12.695 1.687 -1.979 1.00 1.00 N ATOM 703 CA SER A 48 13.791 2.484 -2.503 1.00 1.00 C ATOM 704 C SER A 48 15.044 2.275 -1.650 1.00 1.00 C ATOM 705 O SER A 48 14.948 1.934 -0.472 1.00 1.00 O ATOM 706 CB SER A 48 13.420 3.967 -2.548 1.00 1.00 C ATOM 707 OG SER A 48 12.149 4.219 -1.955 1.00 1.00 O ATOM 0 H SER A 48 11.942 2.226 -1.552 1.00 1.00 H new ATOM 0 HA SER A 48 13.995 2.158 -3.523 1.00 1.00 H new ATOM 0 HB2 SER A 48 14.183 4.547 -2.029 1.00 1.00 H new ATOM 0 HB3 SER A 48 13.410 4.307 -3.584 1.00 1.00 H new ATOM 0 HG SER A 48 11.440 4.004 -2.597 1.00 1.00 H new ATOM 713 N SER A 49 16.191 2.488 -2.278 1.00 1.00 N ATOM 714 CA SER A 49 17.461 2.328 -1.592 1.00 1.00 C ATOM 715 C SER A 49 17.578 3.352 -0.461 1.00 1.00 C ATOM 716 O SER A 49 17.924 4.508 -0.699 1.00 1.00 O ATOM 717 CB SER A 49 18.634 2.474 -2.563 1.00 1.00 C ATOM 718 OG SER A 49 19.390 1.271 -2.672 1.00 1.00 O ATOM 0 H SER A 49 16.267 2.770 -3.255 1.00 1.00 H new ATOM 0 HA SER A 49 17.497 1.324 -1.170 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.258 2.756 -3.546 1.00 1.00 H new ATOM 0 HB3 SER A 49 19.284 3.282 -2.227 1.00 1.00 H new ATOM 0 HG SER A 49 20.128 1.405 -3.302 1.00 1.00 H new ATOM 724 N GLY A 50 17.282 2.890 0.745 1.00 1.00 N ATOM 725 CA GLY A 50 17.349 3.751 1.914 1.00 1.00 C ATOM 726 C GLY A 50 15.974 3.894 2.569 1.00 1.00 C ATOM 727 O GLY A 50 15.863 3.889 3.795 1.00 1.00 O ATOM 0 H GLY A 50 16.995 1.930 0.938 1.00 1.00 H new ATOM 0 HA2 GLY A 50 18.057 3.339 2.633 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.722 4.734 1.625 1.00 1.00 H new ATOM 731 N CYS A 51 14.961 4.017 1.725 1.00 1.00 N ATOM 732 CA CYS A 51 13.598 4.161 2.207 1.00 1.00 C ATOM 733 C CYS A 51 13.217 2.885 2.960 1.00 1.00 C ATOM 734 O CYS A 51 13.949 2.428 3.836 1.00 1.00 O ATOM 735 CB CYS A 51 12.623 4.463 1.066 1.00 1.00 C ATOM 736 SG CYS A 51 13.205 5.913 0.114 1.00 1.00 S ATOM 0 H CYS A 51 15.057 4.020 0.709 1.00 1.00 H new ATOM 0 HA CYS A 51 13.538 5.013 2.884 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.538 3.597 0.410 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.628 4.657 1.468 1.00 1.00 H new ATOM 741 N HIS A 52 12.060 2.336 2.589 1.00 1.00 N ATOM 742 CA HIS A 52 11.533 1.117 3.193 1.00 1.00 C ATOM 743 C HIS A 52 12.118 -0.114 2.477 1.00 1.00 C ATOM 744 O HIS A 52 11.409 -0.794 1.737 1.00 1.00 O ATOM 745 CB HIS A 52 9.998 1.183 3.185 1.00 1.00 C ATOM 746 CG HIS A 52 9.370 2.448 3.721 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.348 2.744 5.024 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.737 3.487 3.082 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.727 3.923 5.191 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.329 4.425 4.023 1.00 1.00 N ATOM 0 H HIS A 52 11.463 2.726 1.860 1.00 1.00 H new ATOM 0 HA HIS A 52 11.837 1.024 4.236 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.657 1.042 2.159 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.618 0.342 3.766 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.739 2.168 5.770 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.581 3.563 2.016 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.571 4.401 6.147 1.00 1.00 H new ATOM 758 N ASP A 53 13.396 -0.359 2.725 1.00 1.00 N ATOM 759 CA ASP A 53 14.073 -1.491 2.115 1.00 1.00 C ATOM 760 C ASP A 53 14.739 -2.331 3.207 1.00 1.00 C ATOM 761 O ASP A 53 15.927 -2.638 3.121 1.00 1.00 O ATOM 762 CB ASP A 53 15.162 -1.025 1.146 1.00 1.00 C ATOM 763 CG ASP A 53 16.309 -0.244 1.791 1.00 1.00 C ATOM 764 OD1 ASP A 53 16.086 0.656 2.613 1.00 1.00 O ATOM 765 OD2 ASP A 53 17.490 -0.598 1.411 1.00 1.00 O ATOM 0 H ASP A 53 13.981 0.207 3.340 1.00 1.00 H new ATOM 0 HA ASP A 53 13.331 -2.074 1.570 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.575 -1.898 0.641 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.703 -0.401 0.380 1.00 1.00 H new ATOM 771 N ASP A 54 13.945 -2.678 4.209 1.00 1.00 N ATOM 772 CA ASP A 54 14.442 -3.476 5.317 1.00 1.00 C ATOM 773 C ASP A 54 13.296 -4.308 5.895 1.00 1.00 C ATOM 774 O ASP A 54 12.589 -3.856 6.794 1.00 1.00 O ATOM 775 CB ASP A 54 14.991 -2.586 6.433 1.00 1.00 C ATOM 776 CG ASP A 54 16.500 -2.694 6.665 1.00 1.00 C ATOM 777 OD1 ASP A 54 16.954 -3.296 7.649 1.00 1.00 O ATOM 778 OD2 ASP A 54 17.231 -2.122 5.769 1.00 1.00 O ATOM 0 H ASP A 54 12.960 -2.421 4.277 1.00 1.00 H new ATOM 0 HA ASP A 54 15.240 -4.116 4.941 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.748 -1.549 6.203 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.477 -2.835 7.362 1.00 1.00 H new ATOM 784 N LEU A 55 13.149 -5.509 5.356 1.00 1.00 N ATOM 785 CA LEU A 55 12.101 -6.409 5.807 1.00 1.00 C ATOM 786 C LEU A 55 12.686 -7.402 6.813 1.00 1.00 C ATOM 787 O LEU A 55 12.114 -8.467 7.043 1.00 1.00 O ATOM 788 CB LEU A 55 11.415 -7.075 4.613 1.00 1.00 C ATOM 789 CG LEU A 55 12.336 -7.795 3.626 1.00 1.00 C ATOM 790 CD1 LEU A 55 11.817 -9.201 3.318 1.00 1.00 C ATOM 791 CD2 LEU A 55 12.535 -6.966 2.356 1.00 1.00 C ATOM 0 H LEU A 55 13.738 -5.880 4.611 1.00 1.00 H new ATOM 0 HA LEU A 55 11.319 -5.854 6.324 1.00 1.00 H new ATOM 0 HB2 LEU A 55 10.688 -7.794 4.991 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.857 -6.313 4.069 1.00 1.00 H new ATOM 0 HG LEU A 55 13.315 -7.908 4.092 1.00 1.00 H new ATOM 0 HD11 LEU A 55 12.490 -9.691 2.614 1.00 1.00 H new ATOM 0 HD12 LEU A 55 11.770 -9.781 4.239 1.00 1.00 H new ATOM 0 HD13 LEU A 55 10.821 -9.133 2.881 1.00 1.00 H new ATOM 0 HD21 LEU A 55 13.194 -7.501 1.672 1.00 1.00 H new ATOM 0 HD22 LEU A 55 11.571 -6.799 1.876 1.00 1.00 H new ATOM 0 HD23 LEU A 55 12.983 -6.006 2.614 1.00 1.00 H new ATOM 803 N THR A 56 13.818 -7.019 7.384 1.00 1.00 N ATOM 804 CA THR A 56 14.487 -7.863 8.360 1.00 1.00 C ATOM 805 C THR A 56 14.211 -7.360 9.778 1.00 1.00 C ATOM 806 O THR A 56 14.600 -8.000 10.754 1.00 1.00 O ATOM 807 CB THR A 56 15.975 -7.905 8.008 1.00 1.00 C ATOM 808 OG1 THR A 56 16.336 -9.272 8.185 1.00 1.00 O ATOM 809 CG2 THR A 56 16.838 -7.157 9.026 1.00 1.00 C ATOM 0 H THR A 56 14.289 -6.136 7.190 1.00 1.00 H new ATOM 0 HA THR A 56 14.103 -8.883 8.331 1.00 1.00 H new ATOM 0 HB THR A 56 16.126 -7.475 7.018 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.286 -9.389 7.976 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.885 -7.217 8.729 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.532 -6.112 9.065 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.713 -7.608 10.010 1.00 1.00 H new ATOM 817 N ALA A 57 13.543 -6.218 9.847 1.00 1.00 N ATOM 818 CA ALA A 57 13.211 -5.622 11.130 1.00 1.00 C ATOM 819 C ALA A 57 11.900 -6.220 11.642 1.00 1.00 C ATOM 820 O ALA A 57 11.818 -6.655 12.790 1.00 1.00 O ATOM 821 CB ALA A 57 13.139 -4.100 10.983 1.00 1.00 C ATOM 0 H ALA A 57 13.223 -5.690 9.035 1.00 1.00 H new ATOM 0 HA ALA A 57 13.984 -5.843 11.866 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.890 -3.653 11.945 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.104 -3.721 10.646 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.372 -3.841 10.253 1.00 1.00 H new ATOM 827 N LYS A 58 10.906 -6.224 10.766 1.00 1.00 N ATOM 828 CA LYS A 58 9.602 -6.762 11.115 1.00 1.00 C ATOM 829 C LYS A 58 8.729 -5.642 11.685 1.00 1.00 C ATOM 830 O LYS A 58 7.503 -5.729 11.652 1.00 1.00 O ATOM 831 CB LYS A 58 9.752 -7.963 12.051 1.00 1.00 C ATOM 832 CG LYS A 58 8.575 -8.929 11.896 1.00 1.00 C ATOM 833 CD LYS A 58 8.700 -9.740 10.604 1.00 1.00 C ATOM 834 CE LYS A 58 7.815 -10.988 10.653 1.00 1.00 C ATOM 835 NZ LYS A 58 8.409 -12.010 11.544 1.00 1.00 N ATOM 0 H LYS A 58 10.977 -5.863 9.815 1.00 1.00 H new ATOM 0 HA LYS A 58 9.095 -7.140 10.227 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.685 -8.483 11.834 1.00 1.00 H new ATOM 0 HB3 LYS A 58 9.811 -7.619 13.084 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.538 -9.604 12.751 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.639 -8.370 11.890 1.00 1.00 H new ATOM 0 HD2 LYS A 58 8.416 -9.121 9.753 1.00 1.00 H new ATOM 0 HD3 LYS A 58 9.739 -10.032 10.453 1.00 1.00 H new ATOM 0 HE2 LYS A 58 6.820 -10.721 11.008 1.00 1.00 H new ATOM 0 HE3 LYS A 58 7.696 -11.397 9.649 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 7.961 -12.931 11.364 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 9.430 -12.080 11.360 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 8.254 -11.738 12.536 1.00 1.00 H new ATOM 848 N LYS A 59 9.396 -4.617 12.195 1.00 1.00 N ATOM 849 CA LYS A 59 8.696 -3.482 12.771 1.00 1.00 C ATOM 850 C LYS A 59 9.668 -2.310 12.919 1.00 1.00 C ATOM 851 O LYS A 59 10.723 -2.448 13.536 1.00 1.00 O ATOM 852 CB LYS A 59 8.012 -3.882 14.080 1.00 1.00 C ATOM 853 CG LYS A 59 9.031 -4.409 15.093 1.00 1.00 C ATOM 854 CD LYS A 59 8.439 -4.438 16.503 1.00 1.00 C ATOM 855 CE LYS A 59 8.427 -5.863 17.062 1.00 1.00 C ATOM 856 NZ LYS A 59 8.167 -5.845 18.519 1.00 1.00 N ATOM 0 H LYS A 59 10.413 -4.549 12.221 1.00 1.00 H new ATOM 0 HA LYS A 59 7.896 -3.152 12.108 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.489 -3.022 14.499 1.00 1.00 H new ATOM 0 HB3 LYS A 59 7.261 -4.647 13.883 1.00 1.00 H new ATOM 0 HG2 LYS A 59 9.348 -5.412 14.807 1.00 1.00 H new ATOM 0 HG3 LYS A 59 9.920 -3.779 15.081 1.00 1.00 H new ATOM 0 HD2 LYS A 59 9.021 -3.791 17.159 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.424 -4.042 16.483 1.00 1.00 H new ATOM 0 HE2 LYS A 59 7.661 -6.452 16.557 1.00 1.00 H new ATOM 0 HE3 LYS A 59 9.384 -6.346 16.863 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 8.162 -6.819 18.883 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 8.912 -5.300 18.998 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 7.244 -5.403 18.701 1.00 1.00 H new ATOM 869 N GLY A 60 9.278 -1.182 12.343 1.00 1.00 N ATOM 870 CA GLY A 60 10.102 0.013 12.402 1.00 1.00 C ATOM 871 C GLY A 60 9.812 0.939 11.220 1.00 1.00 C ATOM 872 O GLY A 60 8.946 0.647 10.396 1.00 1.00 O ATOM 0 H GLY A 60 8.402 -1.071 11.833 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.915 0.542 13.337 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.155 -0.267 12.399 1.00 1.00 H new ATOM 876 N GLU A 61 10.552 2.037 11.173 1.00 1.00 N ATOM 877 CA GLU A 61 10.385 3.007 10.105 1.00 1.00 C ATOM 878 C GLU A 61 11.212 2.601 8.884 1.00 1.00 C ATOM 879 O GLU A 61 11.425 3.405 7.977 1.00 1.00 O ATOM 880 CB GLU A 61 10.760 4.413 10.578 1.00 1.00 C ATOM 881 CG GLU A 61 12.099 4.403 11.319 1.00 1.00 C ATOM 882 CD GLU A 61 12.702 5.808 11.379 1.00 1.00 C ATOM 883 OE1 GLU A 61 13.119 6.258 12.456 1.00 1.00 O ATOM 884 OE2 GLU A 61 12.730 6.438 10.253 1.00 1.00 O ATOM 0 H GLU A 61 11.269 2.276 11.858 1.00 1.00 H new ATOM 0 HA GLU A 61 9.334 3.024 9.818 1.00 1.00 H new ATOM 0 HB2 GLU A 61 10.819 5.085 9.722 1.00 1.00 H new ATOM 0 HB3 GLU A 61 9.980 4.800 11.234 1.00 1.00 H new ATOM 0 HG2 GLU A 61 11.957 4.021 12.330 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.792 3.727 10.817 1.00 1.00 H new ATOM 892 N LYS A 62 11.656 1.352 8.899 1.00 1.00 N ATOM 893 CA LYS A 62 12.455 0.829 7.804 1.00 1.00 C ATOM 894 C LYS A 62 11.962 -0.573 7.442 1.00 1.00 C ATOM 895 O LYS A 62 12.762 -1.465 7.165 1.00 1.00 O ATOM 896 CB LYS A 62 13.944 0.886 8.152 1.00 1.00 C ATOM 897 CG LYS A 62 14.371 2.312 8.506 1.00 1.00 C ATOM 898 CD LYS A 62 15.659 2.696 7.776 1.00 1.00 C ATOM 899 CE LYS A 62 16.587 3.501 8.689 1.00 1.00 C ATOM 900 NZ LYS A 62 17.079 4.710 7.991 1.00 1.00 N ATOM 0 H LYS A 62 11.477 0.688 9.652 1.00 1.00 H new ATOM 0 HA LYS A 62 12.335 1.449 6.916 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.150 0.222 8.991 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.532 0.525 7.308 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.577 3.010 8.241 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.521 2.394 9.583 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.170 1.796 7.434 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.418 3.282 6.889 1.00 1.00 H new ATOM 0 HE2 LYS A 62 16.055 3.789 9.596 1.00 1.00 H new ATOM 0 HE3 LYS A 62 17.430 2.883 8.997 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 17.707 5.245 8.624 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 17.604 4.429 7.138 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 16.272 5.307 7.719 1.00 1.00 H new ATOM 913 N SER A 63 10.646 -0.724 7.457 1.00 1.00 N ATOM 914 CA SER A 63 10.035 -2.003 7.134 1.00 1.00 C ATOM 915 C SER A 63 8.844 -1.793 6.196 1.00 1.00 C ATOM 916 O SER A 63 8.120 -0.806 6.319 1.00 1.00 O ATOM 917 CB SER A 63 9.591 -2.737 8.400 1.00 1.00 C ATOM 918 OG SER A 63 9.535 -4.147 8.208 1.00 1.00 O ATOM 0 H SER A 63 9.985 0.018 7.688 1.00 1.00 H new ATOM 0 HA SER A 63 10.780 -2.620 6.632 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.281 -2.509 9.212 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.610 -2.373 8.704 1.00 1.00 H new ATOM 0 HG SER A 63 9.249 -4.579 9.040 1.00 1.00 H new ATOM 924 N LEU A 64 8.679 -2.736 5.281 1.00 1.00 N ATOM 925 CA LEU A 64 7.588 -2.667 4.324 1.00 1.00 C ATOM 926 C LEU A 64 6.472 -3.619 4.758 1.00 1.00 C ATOM 927 O LEU A 64 5.830 -4.286 3.950 1.00 1.00 O ATOM 928 CB LEU A 64 8.102 -2.928 2.907 1.00 1.00 C ATOM 929 CG LEU A 64 7.088 -2.727 1.778 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.734 -1.247 1.616 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.594 -3.342 0.471 1.00 1.00 C ATOM 0 H LEU A 64 9.283 -3.552 5.182 1.00 1.00 H new ATOM 0 HA LEU A 64 7.162 -1.664 4.305 1.00 1.00 H new ATOM 0 HB2 LEU A 64 8.954 -2.273 2.724 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.471 -3.952 2.859 1.00 1.00 H new ATOM 0 HG LEU A 64 6.170 -3.250 2.046 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.012 -1.132 0.808 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.302 -0.872 2.544 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.635 -0.681 1.381 1.00 1.00 H new ATOM 0 HD21 LEU A 64 6.855 -3.185 -0.315 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.533 -2.868 0.186 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.755 -4.411 0.610 1.00 1.00 H new ATOM 943 N TYR A 65 6.253 -3.668 6.074 1.00 1.00 N ATOM 944 CA TYR A 65 5.232 -4.522 6.646 1.00 1.00 C ATOM 945 C TYR A 65 4.384 -3.726 7.629 1.00 1.00 C ATOM 946 O TYR A 65 3.174 -3.925 7.713 1.00 1.00 O ATOM 947 CB TYR A 65 5.893 -5.708 7.341 1.00 1.00 C ATOM 948 CG TYR A 65 5.023 -6.353 8.393 1.00 1.00 C ATOM 949 CD1 TYR A 65 4.086 -7.326 8.026 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.154 -5.977 9.735 1.00 1.00 C ATOM 951 CE1 TYR A 65 3.279 -7.924 9.002 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.347 -6.574 10.711 1.00 1.00 C ATOM 953 CZ TYR A 65 3.409 -7.548 10.344 1.00 1.00 C ATOM 954 OH TYR A 65 2.623 -8.129 11.295 1.00 1.00 O ATOM 0 H TYR A 65 6.776 -3.121 6.758 1.00 1.00 H new ATOM 0 HA TYR A 65 4.582 -4.896 5.856 1.00 1.00 H new ATOM 0 HB2 TYR A 65 6.159 -6.455 6.593 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.822 -5.376 7.804 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.985 -7.616 6.990 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.877 -5.227 10.017 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.556 -8.675 8.719 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.447 -6.284 11.746 1.00 1.00 H new ATOM 0 HH TYR A 65 2.842 -7.755 12.174 1.00 1.00 H new ATOM 964 N TYR A 66 5.023 -2.822 8.374 1.00 1.00 N ATOM 965 CA TYR A 66 4.326 -2.003 9.346 1.00 1.00 C ATOM 966 C TYR A 66 3.796 -0.744 8.676 1.00 1.00 C ATOM 967 O TYR A 66 3.144 0.056 9.344 1.00 1.00 O ATOM 968 CB TYR A 66 5.277 -1.651 10.486 1.00 1.00 C ATOM 969 CG TYR A 66 4.648 -0.778 11.547 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.895 -1.359 12.575 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.818 0.610 11.502 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.313 -0.550 13.558 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.236 1.419 12.486 1.00 1.00 C ATOM 974 CZ TYR A 66 3.483 0.839 13.514 1.00 1.00 C ATOM 975 OH TYR A 66 2.916 1.626 14.472 1.00 1.00 O ATOM 0 H TYR A 66 6.026 -2.644 8.316 1.00 1.00 H new ATOM 0 HA TYR A 66 3.479 -2.556 9.753 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.634 -2.571 10.948 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.149 -1.141 10.077 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.763 -2.430 12.609 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.398 1.058 10.708 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.732 -0.998 14.351 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.368 2.490 12.452 1.00 1.00 H new ATOM 0 HH TYR A 66 3.132 2.565 14.294 1.00 1.00 H new ATOM 985 N VAL A 67 4.081 -0.591 7.391 1.00 1.00 N ATOM 986 CA VAL A 67 3.622 0.576 6.656 1.00 1.00 C ATOM 987 C VAL A 67 2.704 0.128 5.518 1.00 1.00 C ATOM 988 O VAL A 67 2.231 0.952 4.736 1.00 1.00 O ATOM 989 CB VAL A 67 4.822 1.392 6.170 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.781 1.696 7.323 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.546 0.677 5.029 1.00 1.00 C ATOM 0 H VAL A 67 4.624 -1.256 6.840 1.00 1.00 H new ATOM 0 HA VAL A 67 3.040 1.231 7.304 1.00 1.00 H new ATOM 0 HB VAL A 67 4.448 2.341 5.786 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.625 2.277 6.951 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.258 2.267 8.090 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.144 0.761 7.750 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.394 1.279 4.703 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.901 -0.294 5.375 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.859 0.535 4.194 1.00 1.00 H new ATOM 1001 N VAL A 68 2.478 -1.176 5.460 1.00 1.00 N ATOM 1002 CA VAL A 68 1.624 -1.743 4.430 1.00 1.00 C ATOM 1003 C VAL A 68 0.249 -2.053 5.027 1.00 1.00 C ATOM 1004 O VAL A 68 -0.780 -1.683 4.466 1.00 1.00 O ATOM 1005 CB VAL A 68 2.296 -2.969 3.810 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.254 -3.971 3.307 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.251 -2.561 2.686 1.00 1.00 C ATOM 0 H VAL A 68 2.872 -1.857 6.110 1.00 1.00 H new ATOM 0 HA VAL A 68 1.474 -1.027 3.622 1.00 1.00 H new ATOM 0 HB VAL A 68 2.883 -3.458 4.588 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.759 -4.833 2.871 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.632 -4.298 4.140 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.628 -3.497 2.551 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.716 -3.451 2.262 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.695 -2.037 1.909 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.023 -1.904 3.085 1.00 1.00 H new ATOM 1017 N HIS A 69 0.273 -2.737 6.171 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.937 -3.124 6.888 1.00 1.00 C ATOM 1019 C HIS A 69 -1.285 -2.053 7.938 1.00 1.00 C ATOM 1020 O HIS A 69 -2.152 -1.214 7.701 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.745 -4.535 7.463 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.224 -5.591 6.515 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.081 -5.814 6.333 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.882 -6.480 5.700 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.230 -6.804 5.439 1.00 1.00 C ATOM 1026 NE2 HIS A 69 0.050 -7.252 5.016 1.00 1.00 N ATOM 0 H HIS A 69 1.135 -3.038 6.626 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.797 -3.174 6.221 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -0.059 -4.468 8.307 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.703 -4.875 7.857 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.839 -5.314 6.797 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -1.954 -6.566 5.606 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.183 -7.187 5.106 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.593 -2.120 9.066 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.821 -1.169 10.141 1.00 1.00 C ATOM 1036 C ALA A 70 -2.097 -0.377 9.853 1.00 1.00 C ATOM 1037 O ALA A 70 -2.049 0.674 9.216 1.00 1.00 O ATOM 1038 CB ALA A 70 0.405 -0.266 10.292 1.00 1.00 C ATOM 0 H ALA A 70 0.126 -2.818 9.259 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.962 -1.688 11.089 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.234 0.447 11.098 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.279 -0.875 10.525 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.577 0.273 9.360 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.209 -0.911 10.337 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.497 -0.266 10.139 1.00 1.00 C ATOM 1046 C ARG A 71 -4.809 0.666 11.311 1.00 1.00 C ATOM 1047 O ARG A 71 -5.973 0.879 11.646 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.616 -1.301 10.007 1.00 1.00 C ATOM 1049 CG ARG A 71 -6.950 -0.627 9.681 1.00 1.00 C ATOM 1050 CD ARG A 71 -7.974 -0.872 10.790 1.00 1.00 C ATOM 1051 NE ARG A 71 -8.856 0.308 10.935 1.00 1.00 N ATOM 1052 CZ ARG A 71 -9.530 0.615 12.064 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -9.430 -0.171 13.157 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -10.290 1.694 12.082 1.00 1.00 N ATOM 0 H ARG A 71 -3.245 -1.783 10.866 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.441 0.311 9.216 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -5.365 -2.016 9.224 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.706 -1.865 10.936 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -6.798 0.445 9.552 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -7.334 -1.011 8.736 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -8.569 -1.755 10.558 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -7.462 -1.071 11.731 1.00 1.00 H new ATOM 0 HE ARG A 71 -8.961 0.928 10.132 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -8.842 -1.004 13.134 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -9.943 0.068 14.006 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -10.361 2.281 11.251 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -10.806 1.940 12.927 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.748 1.196 11.903 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.895 2.100 13.031 1.00 1.00 C ATOM 1066 C GLY A 72 -3.495 3.526 12.646 1.00 1.00 C ATOM 1067 O GLY A 72 -3.391 3.848 11.463 1.00 1.00 O ATOM 0 H GLY A 72 -2.784 1.017 11.623 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.928 2.089 13.378 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.277 1.756 13.860 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.282 4.343 13.667 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.896 5.727 13.450 1.00 1.00 C ATOM 1073 C GLU A 73 -1.405 5.817 13.121 1.00 1.00 C ATOM 1074 O GLU A 73 -0.562 5.733 14.013 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.243 6.590 14.665 1.00 1.00 C ATOM 1076 CG GLU A 73 -3.282 8.073 14.291 1.00 1.00 C ATOM 1077 CD GLU A 73 -1.906 8.719 14.467 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -1.284 9.132 13.478 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -1.488 8.787 15.686 1.00 1.00 O ATOM 0 H GLU A 73 -3.369 4.073 14.647 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.459 6.112 12.600 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -4.210 6.287 15.066 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.506 6.429 15.452 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -3.610 8.183 13.257 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -4.013 8.590 14.913 1.00 1.00 H new ATOM 1087 N LEU A 74 -1.124 5.988 11.837 1.00 1.00 N ATOM 1088 CA LEU A 74 0.252 6.090 11.379 1.00 1.00 C ATOM 1089 C LEU A 74 0.527 7.524 10.923 1.00 1.00 C ATOM 1090 O LEU A 74 -0.401 8.268 10.608 1.00 1.00 O ATOM 1091 CB LEU A 74 0.539 5.037 10.307 1.00 1.00 C ATOM 1092 CG LEU A 74 0.323 3.581 10.722 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.562 2.634 9.545 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.189 3.221 11.931 1.00 1.00 C ATOM 0 H LEU A 74 -1.825 6.058 11.100 1.00 1.00 H new ATOM 0 HA LEU A 74 0.943 5.877 12.195 1.00 1.00 H new ATOM 0 HB2 LEU A 74 -0.092 5.245 9.443 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.573 5.152 9.981 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.718 3.463 11.024 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.402 1.605 9.867 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.131 2.874 8.739 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.586 2.747 9.189 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.016 2.180 12.205 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.240 3.360 11.680 1.00 1.00 H new ATOM 0 HD23 LEU A 74 0.928 3.866 12.770 1.00 1.00 H new ATOM 1106 N LYS A 75 1.806 7.869 10.901 1.00 1.00 N ATOM 1107 CA LYS A 75 2.215 9.201 10.488 1.00 1.00 C ATOM 1108 C LYS A 75 1.456 9.592 9.219 1.00 1.00 C ATOM 1109 O LYS A 75 1.166 10.768 9.003 1.00 1.00 O ATOM 1110 CB LYS A 75 3.737 9.272 10.342 1.00 1.00 C ATOM 1111 CG LYS A 75 4.380 9.868 11.596 1.00 1.00 C ATOM 1112 CD LYS A 75 5.334 8.867 12.251 1.00 1.00 C ATOM 1113 CE LYS A 75 5.942 9.445 13.530 1.00 1.00 C ATOM 1114 NZ LYS A 75 5.087 9.134 14.698 1.00 1.00 N ATOM 0 H LYS A 75 2.573 7.249 11.162 1.00 1.00 H new ATOM 0 HA LYS A 75 1.957 9.934 11.252 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.136 8.273 10.164 1.00 1.00 H new ATOM 0 HB3 LYS A 75 3.995 9.878 9.473 1.00 1.00 H new ATOM 0 HG2 LYS A 75 4.923 10.776 11.334 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.604 10.154 12.306 1.00 1.00 H new ATOM 0 HD2 LYS A 75 4.798 7.947 12.483 1.00 1.00 H new ATOM 0 HD3 LYS A 75 6.129 8.606 11.552 1.00 1.00 H new ATOM 0 HE2 LYS A 75 6.940 9.034 13.683 1.00 1.00 H new ATOM 0 HE3 LYS A 75 6.053 10.525 13.431 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 5.515 9.534 15.558 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 4.143 9.547 14.557 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 5.002 8.103 14.801 1.00 1.00 H new ATOM 1127 N HIS A 76 1.157 8.585 8.412 1.00 1.00 N ATOM 1128 CA HIS A 76 0.437 8.809 7.170 1.00 1.00 C ATOM 1129 C HIS A 76 -0.831 7.952 7.150 1.00 1.00 C ATOM 1130 O HIS A 76 -1.481 7.775 8.179 1.00 1.00 O ATOM 1131 CB HIS A 76 1.344 8.555 5.964 1.00 1.00 C ATOM 1132 CG HIS A 76 2.693 9.226 6.057 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.874 8.519 6.197 1.00 1.00 N ATOM 1134 CD2 HIS A 76 3.036 10.546 6.029 1.00 1.00 C ATOM 1135 CE1 HIS A 76 4.876 9.384 6.250 1.00 1.00 C ATOM 1136 NE2 HIS A 76 4.354 10.640 6.146 1.00 1.00 N ATOM 0 H HIS A 76 1.400 7.611 8.594 1.00 1.00 H new ATOM 0 HA HIS A 76 0.129 9.853 7.106 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.491 7.481 5.853 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.838 8.902 5.063 1.00 1.00 H new ATOM 0 HD1 HIS A 76 3.959 7.504 6.250 1.00 1.00 H new ATOM 0 HD2 HIS A 76 2.350 11.374 5.929 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.922 9.138 6.357 1.00 1.00 H new ATOM 1144 N THR A 77 -1.144 7.444 5.967 1.00 1.00 N ATOM 1145 CA THR A 77 -2.322 6.610 5.799 1.00 1.00 C ATOM 1146 C THR A 77 -1.946 5.283 5.138 1.00 1.00 C ATOM 1147 O THR A 77 -1.689 5.234 3.937 1.00 1.00 O ATOM 1148 CB THR A 77 -3.358 7.411 5.008 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.449 8.649 5.707 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.764 6.818 5.117 1.00 1.00 C ATOM 0 H THR A 77 -0.602 7.594 5.116 1.00 1.00 H new ATOM 0 HA THR A 77 -2.760 6.345 6.761 1.00 1.00 H new ATOM 0 HB THR A 77 -3.061 7.452 3.960 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.099 9.230 5.260 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.460 7.424 4.538 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.760 5.799 4.729 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.074 6.808 6.162 1.00 1.00 H new ATOM 1158 N SER A 78 -1.926 4.238 5.953 1.00 1.00 N ATOM 1159 CA SER A 78 -1.586 2.913 5.463 1.00 1.00 C ATOM 1160 C SER A 78 -2.690 2.398 4.537 1.00 1.00 C ATOM 1161 O SER A 78 -3.787 2.954 4.505 1.00 1.00 O ATOM 1162 CB SER A 78 -1.367 1.937 6.621 1.00 1.00 C ATOM 1163 OG SER A 78 -1.543 2.564 7.888 1.00 1.00 O ATOM 0 H SER A 78 -2.140 4.282 6.949 1.00 1.00 H new ATOM 0 HA SER A 78 -0.654 2.985 4.902 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.063 1.103 6.529 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.362 1.521 6.559 1.00 1.00 H new ATOM 0 HG SER A 78 -2.034 1.962 8.485 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.361 1.344 3.806 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.311 0.748 2.882 1.00 1.00 C ATOM 1171 C CYS A 79 -4.521 0.264 3.682 1.00 1.00 C ATOM 1172 O CYS A 79 -5.619 0.800 3.539 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.676 -0.382 2.068 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.043 0.018 1.343 1.00 1.00 S ATOM 0 H CYS A 79 -1.450 0.887 3.835 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.632 1.495 2.156 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.569 -1.257 2.709 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.357 -0.658 1.263 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.280 -0.744 4.507 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.337 -1.306 5.331 1.00 1.00 C ATOM 1181 C LEU A 80 -6.094 -0.173 6.025 1.00 1.00 C ATOM 1182 O LEU A 80 -7.246 -0.343 6.421 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.767 -2.347 6.297 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.821 -3.801 5.825 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.149 -4.455 6.212 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.551 -3.900 4.322 1.00 1.00 C ATOM 0 H LEU A 80 -3.368 -1.186 4.623 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.059 -1.840 4.713 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.728 -2.091 6.503 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.307 -2.272 7.241 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.030 -4.354 6.332 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.161 -5.488 5.864 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.262 -4.436 7.296 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.972 -3.908 5.752 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.595 -4.944 4.012 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.303 -3.328 3.779 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.562 -3.498 4.103 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.417 0.959 6.151 1.00 1.00 N ATOM 1199 CA ALA A 81 -6.012 2.120 6.790 1.00 1.00 C ATOM 1200 C ALA A 81 -7.209 2.594 5.964 1.00 1.00 C ATOM 1201 O ALA A 81 -8.355 2.453 6.389 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.951 3.210 6.958 1.00 1.00 C ATOM 0 H ALA A 81 -4.462 1.097 5.821 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.378 1.865 7.785 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.397 4.081 7.437 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.137 2.833 7.577 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.562 3.493 5.980 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.903 3.146 4.800 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.940 3.642 3.911 1.00 1.00 C ATOM 1210 C CYS A 82 -8.995 2.546 3.746 1.00 1.00 C ATOM 1211 O CYS A 82 -10.163 2.742 4.075 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.365 4.088 2.565 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.708 4.705 1.485 1.00 1.00 S ATOM 0 H CYS A 82 -5.951 3.261 4.451 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.403 4.528 4.346 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.622 4.871 2.719 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.854 3.254 2.084 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.544 1.402 3.230 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.402 0.245 3.000 1.00 1.00 C ATOM 1220 C HIS A 83 -10.380 0.079 4.177 1.00 1.00 C ATOM 1221 O HIS A 83 -11.496 -0.403 3.990 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.519 -0.983 2.733 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.962 -1.130 1.336 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.674 -2.318 0.797 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.649 -0.191 0.382 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.200 -2.128 -0.444 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.163 -0.833 -0.751 1.00 1.00 N ATOM 0 H HIS A 83 -7.572 1.254 2.960 1.00 1.00 H new ATOM 0 HA HIS A 83 -10.025 0.380 2.116 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.683 -0.959 3.432 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.100 -1.876 2.963 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.795 -3.222 1.254 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.763 0.877 0.495 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.889 -2.922 -1.107 1.00 1.00 H new ATOM 1235 N SER A 84 -9.925 0.487 5.353 1.00 1.00 N ATOM 1236 CA SER A 84 -10.747 0.388 6.548 1.00 1.00 C ATOM 1237 C SER A 84 -11.945 1.332 6.438 1.00 1.00 C ATOM 1238 O SER A 84 -13.082 0.928 6.678 1.00 1.00 O ATOM 1239 CB SER A 84 -9.932 0.707 7.804 1.00 1.00 C ATOM 1240 OG SER A 84 -10.246 1.993 8.331 1.00 1.00 O ATOM 0 H SER A 84 -8.999 0.886 5.504 1.00 1.00 H new ATOM 0 HA SER A 84 -11.108 -0.637 6.632 1.00 1.00 H new ATOM 0 HB2 SER A 84 -10.123 -0.052 8.563 1.00 1.00 H new ATOM 0 HB3 SER A 84 -8.869 0.662 7.568 1.00 1.00 H new ATOM 0 HG SER A 84 -9.726 2.676 7.859 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.651 2.572 6.076 1.00 1.00 N ATOM 1247 CA LYS A 85 -12.690 3.577 5.932 1.00 1.00 C ATOM 1248 C LYS A 85 -13.594 3.204 4.755 1.00 1.00 C ATOM 1249 O LYS A 85 -14.809 3.385 4.820 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.074 4.972 5.817 1.00 1.00 C ATOM 1251 CG LYS A 85 -13.151 6.056 5.897 1.00 1.00 C ATOM 1252 CD LYS A 85 -12.745 7.162 6.873 1.00 1.00 C ATOM 1253 CE LYS A 85 -13.631 7.146 8.120 1.00 1.00 C ATOM 1254 NZ LYS A 85 -12.997 6.353 9.197 1.00 1.00 N ATOM 0 H LYS A 85 -10.707 2.904 5.878 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.319 3.605 6.822 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -11.346 5.119 6.615 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -11.535 5.059 4.873 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -13.317 6.482 4.908 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -14.095 5.613 6.216 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -11.702 7.032 7.162 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -12.821 8.132 6.381 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -13.803 8.166 8.464 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -14.606 6.724 7.875 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -13.612 6.353 10.036 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -12.856 5.376 8.871 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -12.078 6.773 9.442 1.00 1.00 H new ATOM 1267 N VAL A 86 -12.966 2.691 3.708 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.698 2.292 2.518 1.00 1.00 C ATOM 1269 C VAL A 86 -14.719 1.214 2.891 1.00 1.00 C ATOM 1270 O VAL A 86 -15.893 1.318 2.539 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.722 1.840 1.430 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.441 1.021 0.355 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.996 3.037 0.814 1.00 1.00 C ATOM 0 H VAL A 86 -11.958 2.542 3.659 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.251 3.137 2.108 1.00 1.00 H new ATOM 0 HB VAL A 86 -11.974 1.198 1.895 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.725 0.712 -0.407 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.891 0.138 0.810 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.220 1.629 -0.105 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.308 2.688 0.044 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.725 3.715 0.370 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.437 3.562 1.589 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.234 0.204 3.598 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.089 -0.891 4.022 1.00 1.00 C ATOM 1285 C VAL A 87 -16.295 -0.328 4.777 1.00 1.00 C ATOM 1286 O VAL A 87 -17.385 -0.896 4.725 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.283 -1.896 4.846 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.194 -2.701 5.775 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.469 -2.822 3.940 1.00 1.00 C ATOM 0 H VAL A 87 -13.260 0.121 3.888 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.471 -1.434 3.157 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.584 -1.335 5.466 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.595 -3.408 6.349 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.708 -2.024 6.457 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.929 -3.246 5.182 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.905 -3.526 4.552 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -14.142 -3.371 3.282 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.778 -2.229 3.340 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.058 0.781 5.462 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.111 1.427 6.228 1.00 1.00 C ATOM 1301 C ALA A 88 -18.170 1.973 5.269 1.00 1.00 C ATOM 1302 O ALA A 88 -19.239 2.404 5.700 1.00 1.00 O ATOM 1303 CB ALA A 88 -16.503 2.519 7.110 1.00 1.00 C ATOM 0 H ALA A 88 -15.153 1.249 5.503 1.00 1.00 H new ATOM 0 HA ALA A 88 -17.602 0.711 6.888 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -17.292 3.004 7.685 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -15.778 2.074 7.792 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.005 3.258 6.483 1.00 1.00 H new ATOM 1309 N GLU A 89 -17.837 1.938 3.987 1.00 1.00 N ATOM 1310 CA GLU A 89 -18.747 2.424 2.964 1.00 1.00 C ATOM 1311 C GLU A 89 -19.102 1.299 1.991 1.00 1.00 C ATOM 1312 O GLU A 89 -20.263 1.141 1.615 1.00 1.00 O ATOM 1313 CB GLU A 89 -18.149 3.622 2.223 1.00 1.00 C ATOM 1314 CG GLU A 89 -19.211 4.692 1.963 1.00 1.00 C ATOM 1315 CD GLU A 89 -19.159 5.176 0.513 1.00 1.00 C ATOM 1316 OE1 GLU A 89 -18.074 5.222 -0.087 1.00 1.00 O ATOM 1317 OE2 GLU A 89 -20.298 5.511 0.008 1.00 1.00 O ATOM 0 H GLU A 89 -16.950 1.581 3.633 1.00 1.00 H new ATOM 0 HA GLU A 89 -19.663 2.759 3.450 1.00 1.00 H new ATOM 0 HB2 GLU A 89 -17.335 4.048 2.810 1.00 1.00 H new ATOM 0 HB3 GLU A 89 -17.721 3.292 1.276 1.00 1.00 H new ATOM 0 HG2 GLU A 89 -20.200 4.288 2.180 1.00 1.00 H new ATOM 0 HG3 GLU A 89 -19.056 5.534 2.637 1.00 1.00 H new ATOM 1325 N LYS A 90 -18.081 0.545 1.610 1.00 1.00 N ATOM 1326 CA LYS A 90 -18.271 -0.562 0.688 1.00 1.00 C ATOM 1327 C LYS A 90 -17.672 -1.833 1.293 1.00 1.00 C ATOM 1328 O LYS A 90 -16.628 -2.326 0.873 1.00 1.00 O ATOM 1329 CB LYS A 90 -17.707 -0.212 -0.691 1.00 1.00 C ATOM 1330 CG LYS A 90 -18.672 -0.632 -1.801 1.00 1.00 C ATOM 1331 CD LYS A 90 -18.343 0.081 -3.114 1.00 1.00 C ATOM 1332 CE LYS A 90 -18.819 1.535 -3.082 1.00 1.00 C ATOM 1333 NZ LYS A 90 -18.153 2.321 -4.146 1.00 1.00 N ATOM 0 H LYS A 90 -17.120 0.679 1.923 1.00 1.00 H new ATOM 0 HA LYS A 90 -19.333 -0.752 0.534 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -17.523 0.861 -0.751 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -16.747 -0.708 -0.832 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -18.618 -1.711 -1.946 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -19.695 -0.401 -1.504 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -17.268 0.050 -3.289 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -18.816 -0.442 -3.945 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -19.900 1.573 -3.216 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -18.603 1.974 -2.108 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -18.487 3.305 -4.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -17.123 2.299 -4.001 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -18.381 1.911 -5.074 1.00 1.00 H new ATOM 1346 N PRO A 91 -18.367 -2.358 2.304 1.00 1.00 N ATOM 1347 CA PRO A 91 -17.987 -3.557 3.020 1.00 1.00 C ATOM 1348 C PRO A 91 -18.404 -4.783 2.221 1.00 1.00 C ATOM 1349 O PRO A 91 -18.691 -5.816 2.825 1.00 1.00 O ATOM 1350 CB PRO A 91 -18.747 -3.480 4.343 1.00 1.00 C ATOM 1351 CG PRO A 91 -19.946 -2.675 4.028 1.00 1.00 C ATOM 1352 CD PRO A 91 -19.599 -1.804 2.823 1.00 1.00 C ATOM 0 HA PRO A 91 -16.911 -3.633 3.180 1.00 1.00 H new ATOM 0 HB2 PRO A 91 -19.017 -4.472 4.705 1.00 1.00 H new ATOM 0 HB3 PRO A 91 -18.145 -3.010 5.121 1.00 1.00 H new ATOM 0 HG2 PRO A 91 -20.795 -3.321 3.805 1.00 1.00 H new ATOM 0 HG3 PRO A 91 -20.230 -2.058 4.880 1.00 1.00 H new ATOM 0 HD2 PRO A 91 -20.391 -1.832 2.074 1.00 1.00 H new ATOM 0 HD3 PRO A 91 -19.472 -0.761 3.113 1.00 1.00 H new ATOM 1360 N GLU A 92 -18.433 -4.652 0.903 1.00 1.00 N ATOM 1361 CA GLU A 92 -18.819 -5.762 0.049 1.00 1.00 C ATOM 1362 C GLU A 92 -17.600 -6.623 -0.286 1.00 1.00 C ATOM 1363 O GLU A 92 -17.596 -7.338 -1.287 1.00 1.00 O ATOM 1364 CB GLU A 92 -19.503 -5.261 -1.225 1.00 1.00 C ATOM 1365 CG GLU A 92 -18.527 -4.464 -2.094 1.00 1.00 C ATOM 1366 CD GLU A 92 -19.211 -3.964 -3.368 1.00 1.00 C ATOM 1367 OE1 GLU A 92 -19.022 -4.550 -4.444 1.00 1.00 O ATOM 1368 OE2 GLU A 92 -19.962 -2.926 -3.212 1.00 1.00 O ATOM 0 H GLU A 92 -18.195 -3.794 0.406 1.00 1.00 H new ATOM 0 HA GLU A 92 -19.537 -6.378 0.590 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -19.891 -6.108 -1.791 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -20.356 -4.635 -0.962 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -18.139 -3.617 -1.528 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -17.674 -5.089 -2.356 1.00 1.00 H new ATOM 1376 N LEU A 93 -16.594 -6.528 0.572 1.00 1.00 N ATOM 1377 CA LEU A 93 -15.372 -7.290 0.380 1.00 1.00 C ATOM 1378 C LEU A 93 -15.164 -8.221 1.575 1.00 1.00 C ATOM 1379 O LEU A 93 -15.307 -9.437 1.452 1.00 1.00 O ATOM 1380 CB LEU A 93 -14.192 -6.352 0.118 1.00 1.00 C ATOM 1381 CG LEU A 93 -14.432 -5.241 -0.906 1.00 1.00 C ATOM 1382 CD1 LEU A 93 -14.753 -5.825 -2.283 1.00 1.00 C ATOM 1383 CD2 LEU A 93 -15.518 -4.277 -0.425 1.00 1.00 C ATOM 0 H LEU A 93 -16.601 -5.935 1.402 1.00 1.00 H new ATOM 0 HA LEU A 93 -15.451 -7.921 -0.506 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -13.903 -5.892 1.063 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -13.345 -6.951 -0.217 1.00 1.00 H new ATOM 0 HG LEU A 93 -13.512 -4.665 -1.007 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -14.919 -5.014 -2.992 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.918 -6.438 -2.622 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -15.651 -6.439 -2.217 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.669 -3.497 -1.171 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.450 -4.823 -0.277 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -15.210 -3.823 0.517 1.00 1.00 H new ATOM 1395 N LYS A 94 -14.830 -7.616 2.705 1.00 1.00 N ATOM 1396 CA LYS A 94 -14.601 -8.376 3.922 1.00 1.00 C ATOM 1397 C LYS A 94 -13.251 -9.089 3.827 1.00 1.00 C ATOM 1398 O LYS A 94 -12.280 -8.674 4.459 1.00 1.00 O ATOM 1399 CB LYS A 94 -15.776 -9.318 4.194 1.00 1.00 C ATOM 1400 CG LYS A 94 -15.734 -9.846 5.630 1.00 1.00 C ATOM 1401 CD LYS A 94 -16.666 -11.048 5.800 1.00 1.00 C ATOM 1402 CE LYS A 94 -17.609 -10.847 6.988 1.00 1.00 C ATOM 1403 NZ LYS A 94 -18.015 -12.152 7.554 1.00 1.00 N ATOM 0 H LYS A 94 -14.712 -6.608 2.804 1.00 1.00 H new ATOM 0 HA LYS A 94 -14.550 -7.710 4.783 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -16.715 -8.792 4.023 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -15.747 -10.153 3.494 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -14.714 -10.133 5.886 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -16.025 -9.055 6.321 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -17.248 -11.193 4.890 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -16.076 -11.952 5.949 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -17.116 -10.249 7.754 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -18.491 -10.292 6.670 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -18.655 -11.997 8.359 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -18.504 -12.709 6.825 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -17.172 -12.668 7.876 1.00 1.00 H new ATOM 1416 N LYS A 95 -13.231 -10.148 3.031 1.00 1.00 N ATOM 1417 CA LYS A 95 -12.016 -10.921 2.845 1.00 1.00 C ATOM 1418 C LYS A 95 -11.529 -10.759 1.403 1.00 1.00 C ATOM 1419 O LYS A 95 -11.149 -11.736 0.759 1.00 1.00 O ATOM 1420 CB LYS A 95 -12.238 -12.377 3.259 1.00 1.00 C ATOM 1421 CG LYS A 95 -13.194 -13.082 2.293 1.00 1.00 C ATOM 1422 CD LYS A 95 -14.632 -13.034 2.812 1.00 1.00 C ATOM 1423 CE LYS A 95 -15.370 -14.338 2.503 1.00 1.00 C ATOM 1424 NZ LYS A 95 -16.576 -14.070 1.688 1.00 1.00 N ATOM 0 H LYS A 95 -14.037 -10.489 2.508 1.00 1.00 H new ATOM 0 HA LYS A 95 -11.224 -10.547 3.494 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -11.283 -12.903 3.280 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -12.644 -12.414 4.270 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -13.141 -12.608 1.313 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -12.885 -14.119 2.162 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -14.628 -12.860 3.888 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -15.159 -12.196 2.356 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -14.708 -15.020 1.970 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -15.654 -14.831 3.433 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -17.065 -14.965 1.487 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -17.214 -13.436 2.210 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -16.297 -13.620 0.793 1.00 1.00 H new ATOM 1437 N ASP A 96 -11.556 -9.518 0.939 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.123 -9.216 -0.414 1.00 1.00 C ATOM 1439 C ASP A 96 -10.135 -8.048 -0.380 1.00 1.00 C ATOM 1440 O ASP A 96 -9.097 -8.089 -1.038 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.306 -8.808 -1.293 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.495 -9.653 -2.555 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -11.882 -9.386 -3.600 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -13.325 -10.634 -2.435 1.00 1.00 O ATOM 0 H ASP A 96 -11.871 -8.710 1.476 1.00 1.00 H new ATOM 0 HA ASP A 96 -10.659 -10.112 -0.827 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.217 -8.862 -0.698 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.179 -7.766 -1.587 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.493 -7.034 0.395 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.651 -5.857 0.524 1.00 1.00 C ATOM 1452 C LEU A 97 -8.978 -5.865 1.897 1.00 1.00 C ATOM 1453 O LEU A 97 -7.976 -5.183 2.105 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.458 -4.588 0.242 1.00 1.00 C ATOM 1455 CG LEU A 97 -10.960 -4.417 -1.193 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.721 -3.100 -1.354 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -9.810 -4.541 -2.194 1.00 1.00 C ATOM 0 H LEU A 97 -11.355 -7.004 0.940 1.00 1.00 H new ATOM 0 HA LEU A 97 -8.856 -5.874 -0.221 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.318 -4.572 0.911 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.842 -3.726 0.495 1.00 1.00 H new ATOM 0 HG LEU A 97 -11.662 -5.223 -1.408 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -12.067 -3.003 -2.383 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.578 -3.090 -0.681 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -11.061 -2.267 -1.113 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -10.194 -4.416 -3.206 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.066 -3.771 -1.990 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -9.350 -5.525 -2.100 1.00 1.00 H new ATOM 1469 N THR A 98 -9.555 -6.645 2.800 1.00 1.00 N ATOM 1470 CA THR A 98 -9.023 -6.751 4.148 1.00 1.00 C ATOM 1471 C THR A 98 -8.893 -8.220 4.556 1.00 1.00 C ATOM 1472 O THR A 98 -8.955 -8.546 5.740 1.00 1.00 O ATOM 1473 CB THR A 98 -9.927 -5.939 5.078 1.00 1.00 C ATOM 1474 OG1 THR A 98 -10.983 -6.838 5.406 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.628 -4.787 4.355 1.00 1.00 C ATOM 0 H THR A 98 -10.386 -7.210 2.624 1.00 1.00 H new ATOM 0 HA THR A 98 -8.016 -6.339 4.210 1.00 1.00 H new ATOM 0 HB THR A 98 -9.336 -5.542 5.904 1.00 1.00 H new ATOM 0 HG1 THR A 98 -11.310 -7.271 4.590 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.257 -4.244 5.060 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.881 -4.111 3.939 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.246 -5.185 3.550 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.715 -9.066 3.552 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.576 -10.492 3.792 1.00 1.00 C ATOM 1485 C GLY A 99 -7.106 -10.916 3.741 1.00 1.00 C ATOM 1486 O GLY A 99 -6.378 -10.536 2.826 1.00 1.00 O ATOM 0 H GLY A 99 -8.664 -8.791 2.571 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -8.997 -10.743 4.765 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.144 -11.047 3.046 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.714 -11.697 4.737 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.345 -12.177 4.818 1.00 1.00 C ATOM 1492 C CYS A 100 -5.119 -13.177 3.683 1.00 1.00 C ATOM 1493 O CYS A 100 -4.001 -13.319 3.190 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.040 -12.788 6.187 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.292 -11.659 7.605 1.00 1.00 S ATOM 0 H CYS A 100 -7.321 -12.009 5.495 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.656 -11.340 4.706 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -5.669 -13.668 6.325 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.006 -13.131 6.194 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.198 -13.845 3.301 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.130 -14.828 2.233 1.00 1.00 C ATOM 1502 C ALA A 101 -7.378 -14.707 1.355 1.00 1.00 C ATOM 1503 O ALA A 101 -8.301 -13.962 1.682 1.00 1.00 O ATOM 1504 CB ALA A 101 -5.974 -16.226 2.835 1.00 1.00 C ATOM 0 H ALA A 101 -7.124 -13.725 3.712 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.262 -14.647 1.599 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -5.923 -16.963 2.034 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.059 -16.268 3.426 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.829 -16.444 3.475 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.365 -15.450 0.259 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.484 -15.436 -0.668 1.00 1.00 C ATOM 1512 C LYS A 102 -8.909 -13.989 -0.926 1.00 1.00 C ATOM 1513 O LYS A 102 -10.098 -13.699 -1.044 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.617 -16.327 -0.154 1.00 1.00 C ATOM 1515 CG LYS A 102 -9.504 -17.742 -0.725 1.00 1.00 C ATOM 1516 CD LYS A 102 -8.964 -18.715 0.325 1.00 1.00 C ATOM 1517 CE LYS A 102 -10.036 -19.051 1.364 1.00 1.00 C ATOM 1518 NZ LYS A 102 -9.410 -19.480 2.634 1.00 1.00 N ATOM 0 H LYS A 102 -6.597 -16.066 -0.008 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.188 -15.858 -1.628 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.587 -16.367 0.935 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.579 -15.895 -0.431 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -10.482 -18.078 -1.069 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -8.845 -17.736 -1.593 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -8.625 -19.629 -0.162 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -8.097 -18.277 0.820 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -10.667 -18.180 1.539 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -10.683 -19.842 0.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -10.151 -19.704 3.328 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -8.827 -20.324 2.466 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -8.811 -18.713 3.002 1.00 1.00 H new ATOM 1531 N SER A 103 -7.912 -13.119 -1.006 1.00 1.00 N ATOM 1532 CA SER A 103 -8.168 -11.709 -1.248 1.00 1.00 C ATOM 1533 C SER A 103 -7.480 -11.268 -2.542 1.00 1.00 C ATOM 1534 O SER A 103 -6.870 -12.081 -3.233 1.00 1.00 O ATOM 1535 CB SER A 103 -7.689 -10.854 -0.074 1.00 1.00 C ATOM 1536 OG SER A 103 -6.290 -10.996 0.155 1.00 1.00 O ATOM 0 H SER A 103 -6.927 -13.363 -0.908 1.00 1.00 H new ATOM 0 HA SER A 103 -9.244 -11.568 -1.350 1.00 1.00 H new ATOM 0 HB2 SER A 103 -7.920 -9.807 -0.270 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.234 -11.137 0.826 1.00 1.00 H new ATOM 0 HG SER A 103 -6.117 -11.019 1.119 1.00 1.00 H new ATOM 1542 N LYS A 104 -7.603 -9.980 -2.829 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.001 -9.421 -4.028 1.00 1.00 C ATOM 1544 C LYS A 104 -5.552 -9.032 -3.731 1.00 1.00 C ATOM 1545 O LYS A 104 -4.844 -8.544 -4.611 1.00 1.00 O ATOM 1546 CB LYS A 104 -7.850 -8.266 -4.565 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.332 -8.486 -4.255 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.208 -7.513 -5.049 1.00 1.00 C ATOM 1549 CE LYS A 104 -10.710 -8.158 -6.342 1.00 1.00 C ATOM 1550 NZ LYS A 104 -9.769 -7.892 -7.453 1.00 1.00 N ATOM 0 H LYS A 104 -8.110 -9.308 -2.253 1.00 1.00 H new ATOM 0 HA LYS A 104 -6.975 -10.165 -4.824 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.517 -7.328 -4.121 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -7.709 -8.176 -5.642 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -9.610 -9.512 -4.497 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -9.508 -8.352 -3.188 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -11.057 -7.202 -4.440 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -9.638 -6.614 -5.284 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -10.820 -9.233 -6.200 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -11.696 -7.767 -6.591 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -10.262 -8.009 -8.361 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -9.409 -6.919 -7.377 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -8.974 -8.561 -7.402 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.153 -9.262 -2.489 1.00 1.00 N ATOM 1564 CA CYS A 105 -3.800 -8.942 -2.066 1.00 1.00 C ATOM 1565 C CYS A 105 -3.036 -10.252 -1.868 1.00 1.00 C ATOM 1566 O CYS A 105 -1.927 -10.418 -2.372 1.00 1.00 O ATOM 1567 CB CYS A 105 -3.792 -8.080 -0.801 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.425 -6.340 -1.232 1.00 1.00 S ATOM 0 H CYS A 105 -5.743 -9.666 -1.762 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.307 -8.348 -2.835 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -4.759 -8.143 -0.302 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.046 -8.455 -0.100 1.00 1.00 H new ATOM 1573 N HIS A 106 -3.664 -11.164 -1.124 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.092 -12.473 -0.827 1.00 1.00 C ATOM 1575 C HIS A 106 -3.981 -13.578 -1.428 1.00 1.00 C ATOM 1576 O HIS A 106 -4.476 -14.460 -0.730 1.00 1.00 O ATOM 1577 CB HIS A 106 -2.879 -12.589 0.690 1.00 1.00 C ATOM 1578 CG HIS A 106 -1.853 -11.664 1.304 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.563 -11.688 0.956 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -1.973 -10.685 2.261 1.00 1.00 C ATOM 1581 CE1 HIS A 106 0.095 -10.759 1.667 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -0.729 -10.111 2.489 1.00 1.00 N ATOM 0 H HIS A 106 -4.584 -11.013 -0.711 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.113 -12.596 -1.291 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -3.835 -12.412 1.182 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -2.590 -13.615 0.916 1.00 1.00 H new ATOM 0 HD1 HIS A 106 -0.147 -12.310 0.263 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -2.890 -10.406 2.758 1.00 1.00 H new ATOM 0 HE1 HIS A 106 1.154 -10.563 1.584 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.169 -13.505 -2.747 1.00 1.00 N ATOM 1591 CA PRO A 107 -4.964 -14.442 -3.511 1.00 1.00 C ATOM 1592 C PRO A 107 -4.299 -15.811 -3.492 1.00 1.00 C ATOM 1593 O PRO A 107 -4.551 -16.613 -2.596 1.00 1.00 O ATOM 1594 CB PRO A 107 -4.995 -13.867 -4.926 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.727 -13.032 -5.016 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.602 -12.481 -3.598 1.00 1.00 C ATOM 0 HA PRO A 107 -5.969 -14.572 -3.110 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -5.006 -14.657 -5.677 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.885 -13.259 -5.090 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -2.862 -13.634 -5.297 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -3.815 -12.236 -5.756 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.561 -12.286 -3.341 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -4.139 -11.538 -3.492 1.00 1.00 H new TER 1604 PRO A 107 HETATM 1605 CHA HEM A 233 4.566 3.046 -7.304 1.00 1.00 C HETATM 1606 CHB HEM A 233 3.049 6.979 -9.742 1.00 1.00 C HETATM 1607 CHC HEM A 233 -0.897 7.240 -6.898 1.00 1.00 C HETATM 1608 CHD HEM A 233 0.449 3.071 -4.701 1.00 1.00 C HETATM 1609 C1A HEM A 233 4.499 4.114 -8.191 1.00 1.00 C HETATM 1610 C2A HEM A 233 5.530 4.440 -9.149 1.00 1.00 C HETATM 1611 C3A HEM A 233 5.113 5.530 -9.826 1.00 1.00 C HETATM 1612 C4A HEM A 233 3.819 5.890 -9.295 1.00 1.00 C HETATM 1613 CMA HEM A 233 5.823 6.262 -10.928 1.00 1.00 C HETATM 1614 CAA HEM A 233 6.812 3.679 -9.322 1.00 1.00 C HETATM 1615 CBA HEM A 233 6.628 2.274 -9.890 1.00 1.00 C HETATM 1616 CGA HEM A 233 6.380 2.318 -11.391 1.00 1.00 C HETATM 1617 O1A HEM A 233 7.350 2.054 -12.134 1.00 1.00 O HETATM 1618 O2A HEM A 233 5.226 2.615 -11.767 1.00 1.00 O HETATM 1619 C1B HEM A 233 1.867 7.407 -9.146 1.00 1.00 C HETATM 1620 C2B HEM A 233 1.172 8.622 -9.500 1.00 1.00 C HETATM 1621 C3B HEM A 233 0.078 8.697 -8.713 1.00 1.00 C HETATM 1622 C4B HEM A 233 0.084 7.529 -7.864 1.00 1.00 C HETATM 1623 CMB HEM A 233 1.621 9.591 -10.554 1.00 1.00 C HETATM 1624 CAB HEM A 233 -0.972 9.770 -8.691 1.00 1.00 C HETATM 1625 CBB HEM A 233 -1.604 10.049 -10.051 1.00 1.00 C HETATM 1626 C1C HEM A 233 -0.883 6.098 -6.033 1.00 1.00 C HETATM 1627 C2C HEM A 233 -1.810 5.862 -4.951 1.00 1.00 C HETATM 1628 C3C HEM A 233 -1.424 4.722 -4.340 1.00 1.00 C HETATM 1629 C4C HEM A 233 -0.255 4.241 -5.037 1.00 1.00 C HETATM 1630 CMC HEM A 233 -2.973 6.747 -4.608 1.00 1.00 C HETATM 1631 CAC HEM A 233 -2.058 4.047 -3.159 1.00 1.00 C HETATM 1632 CBC HEM A 233 -3.540 3.732 -3.345 1.00 1.00 C HETATM 1633 C1D HEM A 233 1.701 2.731 -5.204 1.00 1.00 C HETATM 1634 C2D HEM A 233 2.488 1.614 -4.736 1.00 1.00 C HETATM 1635 C3D HEM A 233 3.630 1.604 -5.456 1.00 1.00 C HETATM 1636 C4D HEM A 233 3.561 2.715 -6.376 1.00 1.00 C HETATM 1637 CMD HEM A 233 2.073 0.666 -3.649 1.00 1.00 C HETATM 1638 CAD HEM A 233 4.778 0.643 -5.354 1.00 1.00 C HETATM 1639 CBD HEM A 233 5.329 0.189 -6.702 1.00 1.00 C HETATM 1640 CGD HEM A 233 5.458 -1.327 -6.759 1.00 1.00 C HETATM 1641 O1D HEM A 233 4.406 -1.991 -6.635 1.00 1.00 O HETATM 1642 O2D HEM A 233 6.606 -1.793 -6.926 1.00 1.00 O HETATM 1643 NA HEM A 233 3.451 5.012 -8.290 1.00 1.00 N HETATM 1644 NB HEM A 233 1.189 6.742 -8.138 1.00 1.00 N HETATM 1645 NC HEM A 233 0.069 5.095 -6.077 1.00 1.00 N HETATM 1646 ND HEM A 233 2.371 3.401 -6.213 1.00 1.00 N HETATM 1647 FE HEM A 233 1.712 5.123 -7.127 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 5.090 6.709 -11.599 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 6.447 5.563 -11.486 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 6.449 7.045 -10.500 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 2.708 9.571 -10.627 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 1.293 10.596 -10.288 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 1.188 9.311 -11.514 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -2.739 7.776 -4.880 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -3.170 6.690 -3.538 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -3.855 6.418 -5.157 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 2.513 -0.314 -3.833 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 0.986 0.580 -3.637 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 2.418 1.043 -2.686 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -2.378 10.810 -10.146 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -1.281 9.487 -10.927 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -4.097 3.242 -2.547 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -4.041 3.998 -4.276 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 5.790 1.785 -9.394 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 7.515 1.675 -9.682 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 7.313 3.607 -8.357 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 7.471 4.243 -9.982 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 6.303 0.647 -6.873 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 4.671 0.531 -7.501 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 4.456 -0.233 -4.791 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 5.581 1.111 -4.784 1.00 1.00 H new HETATM 0 HHA HEM A 233 5.451 2.427 -7.329 1.00 1.00 H new HETATM 0 HHB HEM A 233 3.400 7.521 -10.608 1.00 1.00 H new HETATM 0 HHC HEM A 233 -1.722 7.930 -6.801 1.00 1.00 H new HETATM 0 HHD HEM A 233 -0.014 2.389 -4.004 1.00 1.00 H new HETATM 0 HAB HEM A 233 -1.257 10.302 -7.784 1.00 1.00 H new HETATM 0 HAC HEM A 233 -1.509 3.803 -2.249 1.00 1.00 H new HETATM 1648 CHA HEM A 251 7.236 6.893 7.020 1.00 1.00 C HETATM 1649 CHB HEM A 251 4.398 4.406 3.941 1.00 1.00 C HETATM 1650 CHC HEM A 251 7.517 5.305 0.309 1.00 1.00 C HETATM 1651 CHD HEM A 251 10.529 7.537 3.490 1.00 1.00 C HETATM 1652 C1A HEM A 251 6.188 6.154 6.482 1.00 1.00 C HETATM 1653 C2A HEM A 251 5.024 5.734 7.228 1.00 1.00 C HETATM 1654 C3A HEM A 251 4.236 5.044 6.377 1.00 1.00 C HETATM 1655 C4A HEM A 251 4.903 5.030 5.096 1.00 1.00 C HETATM 1656 CMA HEM A 251 2.911 4.397 6.663 1.00 1.00 C HETATM 1657 CAA HEM A 251 4.780 6.032 8.678 1.00 1.00 C HETATM 1658 CBA HEM A 251 5.684 5.256 9.632 1.00 1.00 C HETATM 1659 CGA HEM A 251 4.889 4.233 10.431 1.00 1.00 C HETATM 1660 O1A HEM A 251 4.852 3.067 9.981 1.00 1.00 O HETATM 1661 O2A HEM A 251 4.333 4.636 11.475 1.00 1.00 O HETATM 1662 C1B HEM A 251 5.043 4.387 2.709 1.00 1.00 C HETATM 1663 C2B HEM A 251 4.626 3.581 1.586 1.00 1.00 C HETATM 1664 C3B HEM A 251 5.489 3.828 0.578 1.00 1.00 C HETATM 1665 C4B HEM A 251 6.449 4.789 1.066 1.00 1.00 C HETATM 1666 CMB HEM A 251 3.445 2.654 1.586 1.00 1.00 C HETATM 1667 CAB HEM A 251 5.489 3.239 -0.803 1.00 1.00 C HETATM 1668 CBB HEM A 251 4.160 3.383 -1.539 1.00 1.00 C HETATM 1669 C1C HEM A 251 8.633 6.042 0.865 1.00 1.00 C HETATM 1670 C2C HEM A 251 9.900 6.224 0.198 1.00 1.00 C HETATM 1671 C3C HEM A 251 10.740 6.794 1.088 1.00 1.00 C HETATM 1672 C4C HEM A 251 10.001 6.971 2.315 1.00 1.00 C HETATM 1673 CMC HEM A 251 10.185 5.836 -1.224 1.00 1.00 C HETATM 1674 CAC HEM A 251 12.174 7.186 0.885 1.00 1.00 C HETATM 1675 CBC HEM A 251 12.363 8.410 -0.007 1.00 1.00 C HETATM 1676 C1D HEM A 251 9.892 7.526 4.726 1.00 1.00 C HETATM 1677 C2D HEM A 251 10.482 8.020 5.948 1.00 1.00 C HETATM 1678 C3D HEM A 251 9.572 7.843 6.929 1.00 1.00 C HETATM 1679 C4D HEM A 251 8.409 7.237 6.324 1.00 1.00 C HETATM 1680 CMD HEM A 251 11.857 8.613 6.059 1.00 1.00 C HETATM 1681 CAD HEM A 251 9.700 8.193 8.383 1.00 1.00 C HETATM 1682 CBD HEM A 251 8.515 8.977 8.939 1.00 1.00 C HETATM 1683 CGD HEM A 251 8.983 10.179 9.747 1.00 1.00 C HETATM 1684 O1D HEM A 251 8.328 10.463 10.773 1.00 1.00 O HETATM 1685 O2D HEM A 251 9.988 10.790 9.324 1.00 1.00 O HETATM 1686 NA HEM A 251 6.103 5.715 5.172 1.00 1.00 N HETATM 1687 NB HEM A 251 6.166 5.127 2.378 1.00 1.00 N HETATM 1688 NC HEM A 251 8.706 6.505 2.168 1.00 1.00 N HETATM 1689 ND HEM A 251 8.616 7.047 4.969 1.00 1.00 N HETATM 1690 FE HEM A 251 7.394 6.044 3.718 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 2.877 4.083 7.706 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 2.784 3.527 6.018 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 2.109 5.110 6.472 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 3.285 2.269 2.593 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 3.634 1.824 0.906 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 2.557 3.196 1.259 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 10.939 6.505 -1.640 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 9.270 5.911 -1.812 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 10.553 4.811 -1.255 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 12.508 8.164 5.309 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 12.259 8.416 7.053 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 11.803 9.689 5.896 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 4.051 2.989 -2.550 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 3.319 3.879 -1.054 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 13.366 8.780 -0.220 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 11.495 8.914 -0.431 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.179 5.949 10.313 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.467 4.751 9.066 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 3.740 5.806 8.915 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 4.921 7.099 8.848 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 7.908 8.326 9.568 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 7.879 9.311 8.119 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 10.609 8.777 8.527 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 9.817 7.275 8.958 1.00 1.00 H new HETATM 0 HHA HEM A 251 7.143 7.226 8.043 1.00 1.00 H new HETATM 0 HHB HEM A 251 3.443 3.907 4.016 1.00 1.00 H new HETATM 0 HHC HEM A 251 7.504 5.140 -0.758 1.00 1.00 H new HETATM 0 HHD HEM A 251 11.496 8.013 3.428 1.00 1.00 H new HETATM 0 HAB HEM A 251 6.360 2.752 -1.241 1.00 1.00 H new HETATM 0 HAC HEM A 251 13.007 6.645 1.335 1.00 1.00 H new HETATM 1691 CHA HEM A 282 -9.005 -1.622 -4.227 1.00 1.00 C HETATM 1692 CHB HEM A 282 -4.441 -2.700 -2.911 1.00 1.00 C HETATM 1693 CHC HEM A 282 -4.039 1.633 -0.723 1.00 1.00 C HETATM 1694 CHD HEM A 282 -8.685 2.626 -1.865 1.00 1.00 C HETATM 1695 C1A HEM A 282 -7.784 -2.272 -4.076 1.00 1.00 C HETATM 1696 C2A HEM A 282 -7.470 -3.555 -4.657 1.00 1.00 C HETATM 1697 C3A HEM A 282 -6.206 -3.857 -4.294 1.00 1.00 C HETATM 1698 C4A HEM A 282 -5.724 -2.763 -3.484 1.00 1.00 C HETATM 1699 CMA HEM A 282 -5.412 -5.082 -4.642 1.00 1.00 C HETATM 1700 CAA HEM A 282 -8.408 -4.367 -5.503 1.00 1.00 C HETATM 1701 CBA HEM A 282 -8.726 -3.739 -6.856 1.00 1.00 C HETATM 1702 CGA HEM A 282 -10.224 -3.757 -7.129 1.00 1.00 C HETATM 1703 O1A HEM A 282 -10.584 -4.030 -8.295 1.00 1.00 O HETATM 1704 O2A HEM A 282 -10.979 -3.497 -6.168 1.00 1.00 O HETATM 1705 C1B HEM A 282 -3.937 -1.600 -2.224 1.00 1.00 C HETATM 1706 C2B HEM A 282 -2.583 -1.501 -1.732 1.00 1.00 C HETATM 1707 C3B HEM A 282 -2.469 -0.301 -1.125 1.00 1.00 C HETATM 1708 C4B HEM A 282 -3.751 0.355 -1.235 1.00 1.00 C HETATM 1709 CMB HEM A 282 -1.532 -2.561 -1.890 1.00 1.00 C HETATM 1710 CAB HEM A 282 -1.261 0.282 -0.451 1.00 1.00 C HETATM 1711 CBB HEM A 282 0.042 0.064 -1.215 1.00 1.00 C HETATM 1712 C1C HEM A 282 -5.310 2.244 -0.778 1.00 1.00 C HETATM 1713 C2C HEM A 282 -5.652 3.488 -0.129 1.00 1.00 C HETATM 1714 C3C HEM A 282 -6.931 3.768 -0.456 1.00 1.00 C HETATM 1715 C4C HEM A 282 -7.394 2.701 -1.311 1.00 1.00 C HETATM 1716 CMC HEM A 282 -4.724 4.286 0.740 1.00 1.00 C HETATM 1717 CAC HEM A 282 -7.755 4.950 -0.034 1.00 1.00 C HETATM 1718 CBC HEM A 282 -6.939 6.211 0.235 1.00 1.00 C HETATM 1719 C1D HEM A 282 -9.152 1.566 -2.636 1.00 1.00 C HETATM 1720 C2D HEM A 282 -10.453 1.529 -3.262 1.00 1.00 C HETATM 1721 C3D HEM A 282 -10.545 0.353 -3.917 1.00 1.00 C HETATM 1722 C4D HEM A 282 -9.302 -0.350 -3.703 1.00 1.00 C HETATM 1723 CMD HEM A 282 -11.480 2.621 -3.173 1.00 1.00 C HETATM 1724 CAD HEM A 282 -11.697 -0.167 -4.726 1.00 1.00 C HETATM 1725 CBD HEM A 282 -11.459 -0.142 -6.233 1.00 1.00 C HETATM 1726 CGD HEM A 282 -12.110 1.077 -6.871 1.00 1.00 C HETATM 1727 O1D HEM A 282 -11.346 1.951 -7.335 1.00 1.00 O HETATM 1728 O2D HEM A 282 -13.360 1.112 -6.883 1.00 1.00 O HETATM 1729 NA HEM A 282 -6.703 -1.793 -3.356 1.00 1.00 N HETATM 1730 NB HEM A 282 -4.647 -0.453 -1.912 1.00 1.00 N HETATM 1731 NC HEM A 282 -6.389 1.769 -1.503 1.00 1.00 N HETATM 1732 ND HEM A 282 -8.453 0.405 -2.914 1.00 1.00 N HETATM 1733 FE HEM A 282 -6.568 0.066 -2.342 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -4.353 -4.829 -4.683 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -5.733 -5.460 -5.613 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -5.573 -5.848 -3.883 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -2.006 -3.542 -1.919 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.841 -2.516 -1.048 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -0.985 -2.395 -2.818 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 -4.022 3.615 1.234 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 -5.302 4.824 1.491 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 -4.174 4.999 0.126 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -12.085 2.626 -4.079 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -10.979 3.583 -3.066 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -12.122 2.448 -2.309 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 0.980 0.448 -0.813 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 0.035 -0.475 -2.162 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 -7.439 7.128 0.547 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 -5.856 6.195 0.115 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -8.203 -4.281 -7.644 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -8.361 -2.712 -6.879 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -9.339 -4.515 -4.955 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -7.973 -5.353 -5.665 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -11.861 -1.050 -6.683 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -10.388 -0.133 -6.435 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -12.584 0.425 -4.499 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -11.910 -1.191 -4.419 1.00 1.00 H new HETATM 0 HHA HEM A 282 -9.778 -2.129 -4.785 1.00 1.00 H new HETATM 0 HHB HEM A 282 -3.803 -3.565 -3.011 1.00 1.00 H new HETATM 0 HHC HEM A 282 -3.235 2.183 -0.257 1.00 1.00 H new HETATM 0 HHD HEM A 282 -9.360 3.448 -1.679 1.00 1.00 H new HETATM 0 HAB HEM A 282 -1.310 0.814 0.499 1.00 1.00 H new HETATM 0 HAC HEM A 282 -8.839 4.911 0.071 1.00 1.00 H new HETATM 1734 CHA HEM A 305 3.024 -8.885 2.927 1.00 1.00 C HETATM 1735 CHB HEM A 305 0.183 -10.950 6.301 1.00 1.00 C HETATM 1736 CHC HEM A 305 -3.669 -8.535 4.555 1.00 1.00 C HETATM 1737 CHD HEM A 305 -0.769 -6.303 1.292 1.00 1.00 C HETATM 1738 C1A HEM A 305 2.578 -9.639 4.007 1.00 1.00 C HETATM 1739 C2A HEM A 305 3.433 -10.458 4.833 1.00 1.00 C HETATM 1740 C3A HEM A 305 2.648 -11.032 5.770 1.00 1.00 C HETATM 1741 C4A HEM A 305 1.299 -10.574 5.533 1.00 1.00 C HETATM 1742 CMA HEM A 305 3.056 -11.972 6.867 1.00 1.00 C HETATM 1743 CAA HEM A 305 4.914 -10.613 4.648 1.00 1.00 C HETATM 1744 CBA HEM A 305 5.313 -11.831 3.820 1.00 1.00 C HETATM 1745 CGA HEM A 305 5.229 -13.106 4.647 1.00 1.00 C HETATM 1746 O1A HEM A 305 4.788 -14.126 4.074 1.00 1.00 O HETATM 1747 O2A HEM A 305 5.607 -13.038 5.836 1.00 1.00 O HETATM 1748 C1B HEM A 305 -1.098 -10.434 6.136 1.00 1.00 C HETATM 1749 C2B HEM A 305 -2.203 -10.701 7.027 1.00 1.00 C HETATM 1750 C3B HEM A 305 -3.272 -10.033 6.546 1.00 1.00 C HETATM 1751 C4B HEM A 305 -2.841 -9.345 5.352 1.00 1.00 C HETATM 1752 CMB HEM A 305 -2.128 -11.568 8.250 1.00 1.00 C HETATM 1753 CAB HEM A 305 -4.662 -9.985 7.109 1.00 1.00 C HETATM 1754 CBB HEM A 305 -4.804 -9.091 8.338 1.00 1.00 C HETATM 1755 C1C HEM A 305 -3.251 -7.840 3.340 1.00 1.00 C HETATM 1756 C2C HEM A 305 -4.091 -7.122 2.410 1.00 1.00 C HETATM 1757 C3C HEM A 305 -3.273 -6.476 1.553 1.00 1.00 C HETATM 1758 C4C HEM A 305 -1.918 -6.788 1.943 1.00 1.00 C HETATM 1759 CMC HEM A 305 -5.592 -7.123 2.432 1.00 1.00 C HETATM 1760 CAC HEM A 305 -3.653 -5.593 0.400 1.00 1.00 C HETATM 1761 CBC HEM A 305 -5.115 -5.154 0.410 1.00 1.00 C HETATM 1762 C1D HEM A 305 0.514 -6.810 1.474 1.00 1.00 C HETATM 1763 C2D HEM A 305 1.673 -6.371 0.733 1.00 1.00 C HETATM 1764 C3D HEM A 305 2.726 -7.085 1.184 1.00 1.00 C HETATM 1765 C4D HEM A 305 2.229 -7.973 2.209 1.00 1.00 C HETATM 1766 CMD HEM A 305 1.661 -5.314 -0.333 1.00 1.00 C HETATM 1767 CAD HEM A 305 4.156 -7.005 0.736 1.00 1.00 C HETATM 1768 CBD HEM A 305 5.007 -6.030 1.545 1.00 1.00 C HETATM 1769 CGD HEM A 305 6.178 -6.743 2.206 1.00 1.00 C HETATM 1770 O1D HEM A 305 7.279 -6.152 2.198 1.00 1.00 O HETATM 1771 O2D HEM A 305 5.950 -7.866 2.706 1.00 1.00 O HETATM 1772 NA HEM A 305 1.267 -9.718 4.446 1.00 1.00 N HETATM 1773 NB HEM A 305 -1.502 -9.598 5.109 1.00 1.00 N HETATM 1774 NC HEM A 305 -1.916 -7.628 3.043 1.00 1.00 N HETATM 1775 ND HEM A 305 0.868 -7.795 2.379 1.00 1.00 N HETATM 1776 FE HEM A 305 -0.336 -8.705 3.694 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 2.391 -11.845 7.721 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 4.080 -11.755 7.170 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 2.993 -12.999 6.508 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 -2.841 -11.211 8.993 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 -1.121 -11.526 8.665 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 -2.367 -12.597 7.982 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 -5.949 -8.071 2.833 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 -5.971 -6.992 1.418 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 -5.947 -6.306 3.060 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.691 -5.310 -0.831 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 2.443 -5.525 -1.063 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 1.840 -4.339 0.120 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 -5.773 -8.985 8.826 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 -3.936 -8.558 8.728 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 -5.496 -4.510 -0.383 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 -5.778 -5.484 1.210 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 6.328 -11.703 3.445 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 4.660 -11.914 2.951 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 5.387 -10.682 5.628 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 5.305 -9.716 4.168 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 4.392 -5.551 2.307 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 5.379 -5.240 0.893 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 4.181 -6.709 -0.313 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 4.601 -7.998 0.798 1.00 1.00 H new HETATM 0 HHA HEM A 305 4.052 -9.008 2.618 1.00 1.00 H new HETATM 0 HHB HEM A 305 0.331 -11.691 7.073 1.00 1.00 H new HETATM 0 HHC HEM A 305 -4.697 -8.417 4.866 1.00 1.00 H new HETATM 0 HHD HEM A 305 -0.891 -5.480 0.603 1.00 1.00 H new HETATM 0 HAB HEM A 305 -5.496 -10.539 6.679 1.00 1.00 H new HETATM 0 HAC HEM A 305 -2.948 -5.292 -0.375 1.00 1.00 H new