USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -108:sc= 0.137 (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= -0.442 USER MOD Single : A 15 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.082) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -1.24 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -150:sc= -2 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -130:sc= -1.1 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -170: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= -4.16 K(o=-4.2,f=-0.76) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 139:sc= -4.58! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0413) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 70:sc= 0.54 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 45:sc= -1.35 USER MOD Single : A 104 LYS NZ :NH3+ 159:sc= -0.0265 (180deg=-0.265) USER MOD Single : A 233 HEM CMA :methyl 150:sc= -2.85! (180deg=-2.85!) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -4.43! (180deg=-8.7!) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -1.85! (180deg=-3.95!) USER MOD Single : A 233 HEM CMD :methyl 150:sc= -0.27 (180deg=-0.27) USER MOD Single : A 251 HEM CMA :methyl 150:sc= -0.662 (180deg=-0.662) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -1.43 (180deg=-1.57) USER MOD Single : A 251 HEM CMC :methyl 150:sc= -7.72! (180deg=-7.72!) USER MOD Single : A 251 HEM CMD :methyl -30:sc= -6.77! (180deg=-7.64!) USER MOD Single : A 282 HEM CMA :methyl 150:sc= -1.01 (180deg=-1.01) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -1.18 (180deg=-3.76!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -7.02! (180deg=-8.52!) USER MOD Single : A 282 HEM CMD :methyl -30:sc= -0.338 (180deg=-0.374) USER MOD Single : A 305 HEM CMA :methyl 150:sc= -0.217 (180deg=-0.217) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.619 (180deg=-0.619) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -7.93! (180deg=-8.65!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.239 (180deg=-1.88!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.454 15.711 -11.333 1.00 1.00 N ATOM 2 CA ALA A 1 2.918 14.405 -10.897 1.00 1.00 C ATOM 3 C ALA A 1 3.361 13.593 -12.116 1.00 1.00 C ATOM 4 O ALA A 1 3.249 14.022 -13.262 1.00 1.00 O ATOM 5 CB ALA A 1 1.812 13.708 -10.103 1.00 1.00 C ATOM 0 H1 ALA A 1 3.149 16.435 -11.060 1.00 1.00 H new ATOM 0 H2 ALA A 1 2.341 15.712 -12.367 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.540 15.922 -10.885 1.00 1.00 H new ATOM 0 HA ALA A 1 3.779 14.505 -10.236 1.00 1.00 H new ATOM 0 HB1 ALA A 1 2.161 12.728 -9.776 1.00 1.00 H new ATOM 0 HB2 ALA A 1 1.554 14.311 -9.232 1.00 1.00 H new ATOM 0 HB3 ALA A 1 0.932 13.588 -10.734 1.00 1.00 H new ATOM 11 N PRO A 2 3.873 12.392 -11.838 1.00 1.00 N ATOM 12 CA PRO A 2 4.352 11.458 -12.835 1.00 1.00 C ATOM 13 C PRO A 2 3.168 10.807 -13.535 1.00 1.00 C ATOM 14 O PRO A 2 2.095 10.728 -12.938 1.00 1.00 O ATOM 15 CB PRO A 2 5.160 10.427 -12.050 1.00 1.00 C ATOM 16 CG PRO A 2 5.275 10.989 -10.561 1.00 1.00 C ATOM 17 CD PRO A 2 4.019 11.855 -10.502 1.00 1.00 C ATOM 0 HA PRO A 2 4.955 11.934 -13.608 1.00 1.00 H new ATOM 0 HB2 PRO A 2 4.667 9.455 -12.062 1.00 1.00 H new ATOM 0 HB3 PRO A 2 6.147 10.289 -12.491 1.00 1.00 H new ATOM 0 HG2 PRO A 2 5.268 10.195 -9.815 1.00 1.00 H new ATOM 0 HG3 PRO A 2 6.186 11.566 -10.403 1.00 1.00 H new ATOM 0 HD2 PRO A 2 3.147 11.267 -10.215 1.00 1.00 H new ATOM 0 HD3 PRO A 2 4.123 12.652 -9.765 1.00 1.00 H new ATOM 25 N ALA A 3 3.377 10.360 -14.764 1.00 1.00 N ATOM 26 CA ALA A 3 2.312 9.723 -15.520 1.00 1.00 C ATOM 27 C ALA A 3 1.963 8.383 -14.870 1.00 1.00 C ATOM 28 O ALA A 3 2.822 7.514 -14.728 1.00 1.00 O ATOM 29 CB ALA A 3 2.745 9.568 -16.980 1.00 1.00 C ATOM 0 H ALA A 3 4.268 10.426 -15.256 1.00 1.00 H new ATOM 0 HA ALA A 3 1.412 10.338 -15.510 1.00 1.00 H new ATOM 0 HB1 ALA A 3 1.946 9.090 -17.548 1.00 1.00 H new ATOM 0 HB2 ALA A 3 2.954 10.550 -17.404 1.00 1.00 H new ATOM 0 HB3 ALA A 3 3.644 8.953 -17.030 1.00 1.00 H new ATOM 35 N VAL A 4 0.699 8.256 -14.493 1.00 1.00 N ATOM 36 CA VAL A 4 0.225 7.036 -13.861 1.00 1.00 C ATOM 37 C VAL A 4 0.419 5.861 -14.821 1.00 1.00 C ATOM 38 O VAL A 4 -0.089 5.842 -15.940 1.00 1.00 O ATOM 39 CB VAL A 4 -1.228 7.209 -13.414 1.00 1.00 C ATOM 40 CG1 VAL A 4 -2.174 7.219 -14.617 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.626 6.124 -12.412 1.00 1.00 C ATOM 0 H VAL A 4 -0.012 8.978 -14.613 1.00 1.00 H new ATOM 0 HA VAL A 4 0.804 6.821 -12.963 1.00 1.00 H new ATOM 0 HB VAL A 4 -1.312 8.174 -12.914 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -3.200 7.343 -14.272 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.912 8.044 -15.279 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -2.085 6.277 -15.158 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.663 6.270 -12.110 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.517 5.143 -12.875 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.981 6.184 -11.535 1.00 1.00 H new ATOM 51 N PRO A 5 1.177 4.868 -14.351 1.00 1.00 N ATOM 52 CA PRO A 5 1.490 3.662 -15.087 1.00 1.00 C ATOM 53 C PRO A 5 0.277 2.742 -15.099 1.00 1.00 C ATOM 54 O PRO A 5 -0.238 2.424 -14.028 1.00 1.00 O ATOM 55 CB PRO A 5 2.651 3.027 -14.324 1.00 1.00 C ATOM 56 CG PRO A 5 2.475 3.497 -12.936 1.00 1.00 C ATOM 57 CD PRO A 5 1.789 4.858 -13.040 1.00 1.00 C ATOM 0 HA PRO A 5 1.753 3.856 -16.127 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.618 1.939 -14.383 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.613 3.339 -14.731 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.869 2.797 -12.360 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.435 3.581 -12.427 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.043 4.985 -12.255 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.507 5.671 -12.933 1.00 1.00 H new ATOM 65 N ASP A 6 -0.151 2.339 -16.287 1.00 1.00 N ATOM 66 CA ASP A 6 -1.302 1.461 -16.409 1.00 1.00 C ATOM 67 C ASP A 6 -0.844 0.006 -16.286 1.00 1.00 C ATOM 68 O ASP A 6 -1.623 -0.916 -16.523 1.00 1.00 O ATOM 69 CB ASP A 6 -1.982 1.629 -17.769 1.00 1.00 C ATOM 70 CG ASP A 6 -1.275 0.934 -18.935 1.00 1.00 C ATOM 71 OD1 ASP A 6 -0.077 1.146 -19.174 1.00 1.00 O ATOM 72 OD2 ASP A 6 -2.018 0.134 -19.623 1.00 1.00 O ATOM 0 H ASP A 6 0.279 2.605 -17.173 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.007 1.719 -15.619 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.000 1.245 -17.700 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -2.058 2.693 -17.992 1.00 1.00 H new ATOM 78 N LYS A 7 0.418 -0.154 -15.915 1.00 1.00 N ATOM 79 CA LYS A 7 0.989 -1.480 -15.758 1.00 1.00 C ATOM 80 C LYS A 7 1.378 -1.693 -14.293 1.00 1.00 C ATOM 81 O LYS A 7 2.500 -1.424 -13.871 1.00 1.00 O ATOM 82 CB LYS A 7 2.147 -1.685 -16.737 1.00 1.00 C ATOM 83 CG LYS A 7 3.014 -0.428 -16.832 1.00 1.00 C ATOM 84 CD LYS A 7 4.477 -0.789 -17.095 1.00 1.00 C ATOM 85 CE LYS A 7 5.256 0.421 -17.614 1.00 1.00 C ATOM 86 NZ LYS A 7 5.831 1.190 -16.488 1.00 1.00 N ATOM 0 H LYS A 7 1.061 0.613 -15.719 1.00 1.00 H new ATOM 0 HA LYS A 7 0.252 -2.243 -16.008 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.757 -2.528 -16.413 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.755 -1.936 -17.723 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.645 0.213 -17.632 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.937 0.142 -15.906 1.00 1.00 H new ATOM 0 HD2 LYS A 7 4.936 -1.154 -16.176 1.00 1.00 H new ATOM 0 HD3 LYS A 7 4.530 -1.599 -17.822 1.00 1.00 H new ATOM 0 HE2 LYS A 7 6.053 0.089 -18.280 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.597 1.061 -18.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 6.356 2.008 -16.858 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 5.065 1.523 -15.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 6.476 0.581 -15.945 1.00 1.00 H new ATOM 99 N PRO A 8 0.411 -2.189 -13.519 1.00 1.00 N ATOM 100 CA PRO A 8 0.559 -2.470 -12.107 1.00 1.00 C ATOM 101 C PRO A 8 1.915 -3.114 -11.855 1.00 1.00 C ATOM 102 O PRO A 8 2.402 -3.833 -12.726 1.00 1.00 O ATOM 103 CB PRO A 8 -0.576 -3.438 -11.779 1.00 1.00 C ATOM 104 CG PRO A 8 -1.711 -2.839 -12.718 1.00 1.00 C ATOM 105 CD PRO A 8 -0.920 -2.516 -13.984 1.00 1.00 C ATOM 0 HA PRO A 8 0.512 -1.574 -11.489 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.330 -4.471 -12.026 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -0.851 -3.419 -10.725 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -2.510 -3.557 -12.905 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -2.175 -1.952 -12.286 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -0.902 -3.366 -14.666 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.365 -1.682 -14.526 1.00 1.00 H new ATOM 113 N VAL A 9 2.490 -2.850 -10.691 1.00 1.00 N ATOM 114 CA VAL A 9 3.786 -3.413 -10.352 1.00 1.00 C ATOM 115 C VAL A 9 3.611 -4.452 -9.242 1.00 1.00 C ATOM 116 O VAL A 9 2.717 -4.327 -8.406 1.00 1.00 O ATOM 117 CB VAL A 9 4.760 -2.295 -9.976 1.00 1.00 C ATOM 118 CG1 VAL A 9 5.596 -1.867 -11.184 1.00 1.00 C ATOM 119 CG2 VAL A 9 4.019 -1.102 -9.371 1.00 1.00 C ATOM 0 H VAL A 9 2.082 -2.254 -9.971 1.00 1.00 H new ATOM 0 HA VAL A 9 4.217 -3.925 -11.212 1.00 1.00 H new ATOM 0 HB VAL A 9 5.441 -2.684 -9.219 1.00 1.00 H new ATOM 0 HG11 VAL A 9 6.280 -1.071 -10.889 1.00 1.00 H new ATOM 0 HG12 VAL A 9 6.168 -2.719 -11.551 1.00 1.00 H new ATOM 0 HG13 VAL A 9 4.937 -1.505 -11.973 1.00 1.00 H new ATOM 0 HG21 VAL A 9 4.735 -0.322 -9.113 1.00 1.00 H new ATOM 0 HG22 VAL A 9 3.304 -0.713 -10.095 1.00 1.00 H new ATOM 0 HG23 VAL A 9 3.489 -1.420 -8.473 1.00 1.00 H new ATOM 129 N GLU A 10 4.477 -5.453 -9.270 1.00 1.00 N ATOM 130 CA GLU A 10 4.430 -6.513 -8.277 1.00 1.00 C ATOM 131 C GLU A 10 5.220 -6.108 -7.031 1.00 1.00 C ATOM 132 O GLU A 10 6.244 -5.433 -7.133 1.00 1.00 O ATOM 133 CB GLU A 10 4.952 -7.830 -8.855 1.00 1.00 C ATOM 134 CG GLU A 10 3.807 -8.677 -9.412 1.00 1.00 C ATOM 135 CD GLU A 10 4.138 -9.193 -10.814 1.00 1.00 C ATOM 136 OE1 GLU A 10 4.813 -8.498 -11.587 1.00 1.00 O ATOM 137 OE2 GLU A 10 3.668 -10.363 -11.089 1.00 1.00 O ATOM 0 H GLU A 10 5.216 -5.553 -9.965 1.00 1.00 H new ATOM 0 HA GLU A 10 3.390 -6.669 -7.989 1.00 1.00 H new ATOM 0 HB2 GLU A 10 5.674 -7.624 -9.645 1.00 1.00 H new ATOM 0 HB3 GLU A 10 5.478 -8.388 -8.080 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.616 -9.519 -8.747 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.894 -8.083 -9.445 1.00 1.00 H new ATOM 145 N VAL A 11 4.716 -6.538 -5.884 1.00 1.00 N ATOM 146 CA VAL A 11 5.362 -6.229 -4.620 1.00 1.00 C ATOM 147 C VAL A 11 5.708 -7.533 -3.897 1.00 1.00 C ATOM 148 O VAL A 11 4.935 -8.012 -3.069 1.00 1.00 O ATOM 149 CB VAL A 11 4.471 -5.304 -3.789 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.204 -4.816 -2.537 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.973 -4.124 -4.627 1.00 1.00 C ATOM 0 H VAL A 11 3.867 -7.098 -5.803 1.00 1.00 H new ATOM 0 HA VAL A 11 6.296 -5.693 -4.790 1.00 1.00 H new ATOM 0 HB VAL A 11 3.602 -5.877 -3.467 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.548 -4.160 -1.964 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.487 -5.672 -1.924 1.00 1.00 H new ATOM 0 HG13 VAL A 11 6.099 -4.268 -2.830 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.342 -3.482 -4.012 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.826 -3.552 -4.993 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.396 -4.497 -5.474 1.00 1.00 H new ATOM 161 N LYS A 12 6.871 -8.070 -4.237 1.00 1.00 N ATOM 162 CA LYS A 12 7.329 -9.308 -3.631 1.00 1.00 C ATOM 163 C LYS A 12 8.083 -8.990 -2.338 1.00 1.00 C ATOM 164 O LYS A 12 9.299 -8.803 -2.355 1.00 1.00 O ATOM 165 CB LYS A 12 8.145 -10.126 -4.634 1.00 1.00 C ATOM 166 CG LYS A 12 8.368 -11.552 -4.127 1.00 1.00 C ATOM 167 CD LYS A 12 9.127 -12.389 -5.159 1.00 1.00 C ATOM 168 CE LYS A 12 9.246 -13.844 -4.703 1.00 1.00 C ATOM 169 NZ LYS A 12 9.392 -14.743 -5.870 1.00 1.00 N ATOM 0 H LYS A 12 7.509 -7.670 -4.925 1.00 1.00 H new ATOM 0 HA LYS A 12 6.480 -9.936 -3.359 1.00 1.00 H new ATOM 0 HB2 LYS A 12 7.627 -10.154 -5.593 1.00 1.00 H new ATOM 0 HB3 LYS A 12 9.107 -9.643 -4.806 1.00 1.00 H new ATOM 0 HG2 LYS A 12 8.928 -11.526 -3.192 1.00 1.00 H new ATOM 0 HG3 LYS A 12 7.407 -12.019 -3.910 1.00 1.00 H new ATOM 0 HD2 LYS A 12 8.611 -12.346 -6.118 1.00 1.00 H new ATOM 0 HD3 LYS A 12 10.121 -11.970 -5.313 1.00 1.00 H new ATOM 0 HE2 LYS A 12 10.105 -13.955 -4.041 1.00 1.00 H new ATOM 0 HE3 LYS A 12 8.363 -14.125 -4.129 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 9.472 -15.727 -5.542 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 8.560 -14.650 -6.487 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 10.248 -14.485 -6.402 1.00 1.00 H new ATOM 182 N GLY A 13 7.331 -8.939 -1.249 1.00 1.00 N ATOM 183 CA GLY A 13 7.913 -8.647 0.050 1.00 1.00 C ATOM 184 C GLY A 13 8.783 -9.809 0.535 1.00 1.00 C ATOM 185 O GLY A 13 9.576 -10.356 -0.229 1.00 1.00 O ATOM 0 H GLY A 13 6.323 -9.095 -1.239 1.00 1.00 H new ATOM 0 HA2 GLY A 13 8.514 -7.740 -0.012 1.00 1.00 H new ATOM 0 HA3 GLY A 13 7.120 -8.455 0.773 1.00 1.00 H new ATOM 189 N SER A 14 8.603 -10.151 1.802 1.00 1.00 N ATOM 190 CA SER A 14 9.361 -11.238 2.398 1.00 1.00 C ATOM 191 C SER A 14 9.064 -12.547 1.665 1.00 1.00 C ATOM 192 O SER A 14 9.930 -13.091 0.982 1.00 1.00 O ATOM 193 CB SER A 14 9.043 -11.380 3.888 1.00 1.00 C ATOM 194 OG SER A 14 8.800 -12.735 4.255 1.00 1.00 O ATOM 0 H SER A 14 7.944 -9.695 2.432 1.00 1.00 H new ATOM 0 HA SER A 14 10.422 -11.008 2.301 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.874 -10.989 4.475 1.00 1.00 H new ATOM 0 HB3 SER A 14 8.169 -10.776 4.131 1.00 1.00 H new ATOM 0 HG SER A 14 8.603 -12.784 5.214 1.00 1.00 H new ATOM 200 N GLN A 15 7.835 -13.015 1.831 1.00 1.00 N ATOM 201 CA GLN A 15 7.413 -14.250 1.193 1.00 1.00 C ATOM 202 C GLN A 15 5.915 -14.203 0.884 1.00 1.00 C ATOM 203 O GLN A 15 5.184 -15.143 1.194 1.00 1.00 O ATOM 204 CB GLN A 15 7.755 -15.462 2.063 1.00 1.00 C ATOM 205 CG GLN A 15 8.067 -16.686 1.199 1.00 1.00 C ATOM 206 CD GLN A 15 7.924 -17.977 2.008 1.00 1.00 C ATOM 207 OE1 GLN A 15 8.829 -18.791 2.092 1.00 1.00 O ATOM 208 NE2 GLN A 15 6.740 -18.119 2.596 1.00 1.00 N ATOM 0 H GLN A 15 7.119 -12.561 2.398 1.00 1.00 H new ATOM 0 HA GLN A 15 7.955 -14.354 0.253 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.612 -15.230 2.695 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.920 -15.685 2.727 1.00 1.00 H new ATOM 0 HG2 GLN A 15 7.393 -16.713 0.342 1.00 1.00 H new ATOM 0 HG3 GLN A 15 9.081 -16.609 0.805 1.00 1.00 H new ATOM 0 HE21 GLN A 15 6.026 -17.399 2.485 1.00 1.00 H new ATOM 0 HE22 GLN A 15 6.546 -18.948 3.158 1.00 1.00 H new ATOM 217 N LYS A 16 5.503 -13.099 0.279 1.00 1.00 N ATOM 218 CA LYS A 16 4.105 -12.917 -0.075 1.00 1.00 C ATOM 219 C LYS A 16 4.001 -11.916 -1.227 1.00 1.00 C ATOM 220 O LYS A 16 3.997 -10.706 -1.005 1.00 1.00 O ATOM 221 CB LYS A 16 3.288 -12.523 1.157 1.00 1.00 C ATOM 222 CG LYS A 16 1.956 -13.276 1.196 1.00 1.00 C ATOM 223 CD LYS A 16 2.086 -14.579 1.987 1.00 1.00 C ATOM 224 CE LYS A 16 0.832 -15.441 1.833 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.265 -14.917 2.676 1.00 1.00 N ATOM 0 H LYS A 16 6.112 -12.321 0.025 1.00 1.00 H new ATOM 0 HA LYS A 16 3.676 -13.855 -0.428 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.858 -12.739 2.060 1.00 1.00 H new ATOM 0 HB3 LYS A 16 3.102 -11.449 1.146 1.00 1.00 H new ATOM 0 HG2 LYS A 16 1.191 -12.646 1.650 1.00 1.00 H new ATOM 0 HG3 LYS A 16 1.628 -13.494 0.180 1.00 1.00 H new ATOM 0 HD2 LYS A 16 2.958 -15.134 1.640 1.00 1.00 H new ATOM 0 HD3 LYS A 16 2.250 -14.354 3.041 1.00 1.00 H new ATOM 0 HE2 LYS A 16 0.520 -15.456 0.789 1.00 1.00 H new ATOM 0 HE3 LYS A 16 1.055 -16.470 2.114 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -1.108 -15.514 2.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 0.029 -14.925 3.673 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -0.488 -13.943 2.389 1.00 1.00 H new ATOM 238 N THR A 17 3.921 -12.458 -2.434 1.00 1.00 N ATOM 239 CA THR A 17 3.817 -11.628 -3.622 1.00 1.00 C ATOM 240 C THR A 17 2.420 -11.014 -3.724 1.00 1.00 C ATOM 241 O THR A 17 1.419 -11.705 -3.540 1.00 1.00 O ATOM 242 CB THR A 17 4.194 -12.485 -4.832 1.00 1.00 C ATOM 243 OG1 THR A 17 5.516 -12.932 -4.543 1.00 1.00 O ATOM 244 CG2 THR A 17 4.352 -11.657 -6.109 1.00 1.00 C ATOM 0 H THR A 17 3.926 -13.462 -2.614 1.00 1.00 H new ATOM 0 HA THR A 17 4.505 -10.784 -3.576 1.00 1.00 H new ATOM 0 HB THR A 17 3.433 -13.250 -4.986 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.838 -13.497 -5.276 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.620 -12.313 -6.937 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.412 -11.153 -6.334 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.137 -10.914 -5.966 1.00 1.00 H new ATOM 252 N VAL A 18 2.395 -9.722 -4.016 1.00 1.00 N ATOM 253 CA VAL A 18 1.137 -9.007 -4.145 1.00 1.00 C ATOM 254 C VAL A 18 1.306 -7.862 -5.145 1.00 1.00 C ATOM 255 O VAL A 18 2.218 -7.048 -5.014 1.00 1.00 O ATOM 256 CB VAL A 18 0.661 -8.535 -2.770 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.736 -7.916 -2.856 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.692 -9.680 -1.755 1.00 1.00 C ATOM 0 H VAL A 18 3.227 -9.151 -4.167 1.00 1.00 H new ATOM 0 HA VAL A 18 0.361 -9.666 -4.534 1.00 1.00 H new ATOM 0 HB VAL A 18 1.349 -7.763 -2.425 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -1.051 -7.589 -1.865 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.714 -7.060 -3.531 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.440 -8.658 -3.234 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.349 -9.317 -0.786 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.038 -10.484 -2.093 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.711 -10.056 -1.661 1.00 1.00 H new ATOM 268 N MET A 19 0.411 -7.835 -6.122 1.00 1.00 N ATOM 269 CA MET A 19 0.450 -6.803 -7.144 1.00 1.00 C ATOM 270 C MET A 19 -0.588 -5.714 -6.863 1.00 1.00 C ATOM 271 O MET A 19 -1.706 -6.010 -6.445 1.00 1.00 O ATOM 272 CB MET A 19 0.175 -7.429 -8.513 1.00 1.00 C ATOM 273 CG MET A 19 -1.264 -7.942 -8.602 1.00 1.00 C ATOM 274 SD MET A 19 -2.268 -6.787 -9.521 1.00 1.00 S ATOM 275 CE MET A 19 -3.220 -7.925 -10.514 1.00 1.00 C ATOM 0 H MET A 19 -0.345 -8.511 -6.227 1.00 1.00 H new ATOM 0 HA MET A 19 1.440 -6.347 -7.135 1.00 1.00 H new ATOM 0 HB2 MET A 19 0.351 -6.692 -9.296 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.869 -8.251 -8.687 1.00 1.00 H new ATOM 0 HG2 MET A 19 -1.282 -8.918 -9.087 1.00 1.00 H new ATOM 0 HG3 MET A 19 -1.674 -8.076 -7.601 1.00 1.00 H new ATOM 0 HE1 MET A 19 -3.904 -7.366 -11.153 1.00 1.00 H new ATOM 0 HE2 MET A 19 -2.547 -8.518 -11.134 1.00 1.00 H new ATOM 0 HE3 MET A 19 -3.791 -8.587 -9.863 1.00 1.00 H new ATOM 285 N PHE A 20 -0.180 -4.477 -7.103 1.00 1.00 N ATOM 286 CA PHE A 20 -1.060 -3.342 -6.881 1.00 1.00 C ATOM 287 C PHE A 20 -1.336 -2.598 -8.189 1.00 1.00 C ATOM 288 O PHE A 20 -0.431 -2.139 -8.883 1.00 1.00 O ATOM 289 CB PHE A 20 -0.340 -2.400 -5.915 1.00 1.00 C ATOM 290 CG PHE A 20 -0.904 -0.978 -5.895 1.00 1.00 C ATOM 291 CD1 PHE A 20 -1.975 -0.682 -5.111 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.335 -0.010 -6.662 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.499 0.638 -5.094 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.858 1.310 -6.644 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.930 1.606 -5.860 1.00 1.00 C ATOM 0 H PHE A 20 0.749 -4.235 -7.449 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.014 -3.684 -6.480 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.396 -2.816 -4.909 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.715 -2.357 -6.184 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.427 -1.450 -4.501 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.515 -0.245 -7.285 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.350 0.873 -4.472 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.405 2.079 -7.252 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.329 2.610 -5.846 1.00 1.00 H new ATOM 305 N PRO A 21 -2.626 -2.488 -8.514 1.00 1.00 N ATOM 306 CA PRO A 21 -3.114 -1.824 -9.704 1.00 1.00 C ATOM 307 C PRO A 21 -3.319 -0.344 -9.414 1.00 1.00 C ATOM 308 O PRO A 21 -3.801 -0.004 -8.336 1.00 1.00 O ATOM 309 CB PRO A 21 -4.442 -2.510 -10.018 1.00 1.00 C ATOM 310 CG PRO A 21 -4.972 -2.736 -8.543 1.00 1.00 C ATOM 311 CD PRO A 21 -3.716 -3.016 -7.722 1.00 1.00 C ATOM 0 HA PRO A 21 -2.421 -1.891 -10.543 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.108 -1.883 -10.611 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.312 -3.444 -10.565 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.500 -1.857 -8.172 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.671 -3.571 -8.496 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.766 -2.532 -6.747 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.592 -4.084 -7.542 1.00 1.00 H new ATOM 319 N HIS A 22 -2.953 0.509 -10.372 1.00 1.00 N ATOM 320 CA HIS A 22 -3.087 1.955 -10.238 1.00 1.00 C ATOM 321 C HIS A 22 -4.485 2.394 -10.710 1.00 1.00 C ATOM 322 O HIS A 22 -5.053 3.340 -10.166 1.00 1.00 O ATOM 323 CB HIS A 22 -1.927 2.633 -10.983 1.00 1.00 C ATOM 324 CG HIS A 22 -0.700 2.969 -10.167 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.445 2.290 -10.277 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.480 3.941 -9.220 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.345 2.819 -9.432 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.826 3.841 -8.755 1.00 1.00 N ATOM 0 H HIS A 22 -2.555 0.213 -11.263 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.015 2.268 -9.196 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.623 1.982 -11.803 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.301 3.554 -11.429 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.609 1.500 -10.900 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.207 4.668 -8.889 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.358 2.462 -9.317 1.00 1.00 H new ATOM 336 N ALA A 23 -4.994 1.688 -11.709 1.00 1.00 N ATOM 337 CA ALA A 23 -6.307 1.995 -12.251 1.00 1.00 C ATOM 338 C ALA A 23 -7.303 2.155 -11.101 1.00 1.00 C ATOM 339 O ALA A 23 -7.987 3.167 -10.966 1.00 1.00 O ATOM 340 CB ALA A 23 -6.722 0.899 -13.234 1.00 1.00 C ATOM 0 H ALA A 23 -4.521 0.904 -12.158 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.285 2.935 -12.802 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.707 1.129 -13.641 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -5.997 0.845 -14.046 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -6.758 -0.060 -12.716 1.00 1.00 H new ATOM 346 N PRO A 24 -7.370 1.117 -10.264 1.00 1.00 N ATOM 347 CA PRO A 24 -8.241 1.055 -9.109 1.00 1.00 C ATOM 348 C PRO A 24 -7.845 2.136 -8.113 1.00 1.00 C ATOM 349 O PRO A 24 -8.540 2.315 -7.115 1.00 1.00 O ATOM 350 CB PRO A 24 -8.016 -0.337 -8.524 1.00 1.00 C ATOM 351 CG PRO A 24 -7.396 -1.170 -9.689 1.00 1.00 C ATOM 352 CD PRO A 24 -6.580 -0.088 -10.392 1.00 1.00 C ATOM 0 HA PRO A 24 -9.289 1.220 -9.358 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.346 -0.300 -7.665 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -8.952 -0.776 -8.180 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.775 -1.991 -9.329 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.155 -1.606 -10.338 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.600 0.031 -9.929 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.410 -0.339 -11.439 1.00 1.00 H new ATOM 360 N HIS A 25 -6.744 2.833 -8.393 1.00 1.00 N ATOM 361 CA HIS A 25 -6.241 3.898 -7.533 1.00 1.00 C ATOM 362 C HIS A 25 -5.879 5.129 -8.384 1.00 1.00 C ATOM 363 O HIS A 25 -4.865 5.778 -8.134 1.00 1.00 O ATOM 364 CB HIS A 25 -5.079 3.349 -6.691 1.00 1.00 C ATOM 365 CG HIS A 25 -5.379 2.154 -5.817 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.236 0.896 -6.245 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.821 2.068 -4.518 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.576 0.059 -5.252 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.945 0.730 -4.163 1.00 1.00 N ATOM 0 H HIS A 25 -6.176 2.673 -9.225 1.00 1.00 H new ATOM 0 HA HIS A 25 -7.003 4.238 -6.832 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.267 3.081 -7.366 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.711 4.153 -6.053 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.920 0.617 -7.174 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.038 2.908 -3.875 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.553 -1.018 -5.327 1.00 1.00 H new ATOM 377 N GLU A 26 -6.726 5.408 -9.365 1.00 1.00 N ATOM 378 CA GLU A 26 -6.505 6.544 -10.243 1.00 1.00 C ATOM 379 C GLU A 26 -7.407 7.712 -9.839 1.00 1.00 C ATOM 380 O GLU A 26 -7.495 8.709 -10.553 1.00 1.00 O ATOM 381 CB GLU A 26 -6.732 6.157 -11.706 1.00 1.00 C ATOM 382 CG GLU A 26 -5.480 6.424 -12.544 1.00 1.00 C ATOM 383 CD GLU A 26 -5.836 7.140 -13.849 1.00 1.00 C ATOM 384 OE1 GLU A 26 -6.550 6.575 -14.691 1.00 1.00 O ATOM 385 OE2 GLU A 26 -5.344 8.326 -13.973 1.00 1.00 O ATOM 0 H GLU A 26 -7.566 4.867 -9.571 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.467 6.861 -10.141 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.999 5.102 -11.770 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.572 6.723 -12.110 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -4.778 7.031 -11.972 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -4.979 5.482 -12.767 1.00 1.00 H new ATOM 393 N LYS A 27 -8.055 7.549 -8.694 1.00 1.00 N ATOM 394 CA LYS A 27 -8.947 8.577 -8.186 1.00 1.00 C ATOM 395 C LYS A 27 -8.486 9.002 -6.791 1.00 1.00 C ATOM 396 O LYS A 27 -9.066 9.905 -6.189 1.00 1.00 O ATOM 397 CB LYS A 27 -10.399 8.099 -8.236 1.00 1.00 C ATOM 398 CG LYS A 27 -11.113 8.642 -9.475 1.00 1.00 C ATOM 399 CD LYS A 27 -12.090 9.759 -9.100 1.00 1.00 C ATOM 400 CE LYS A 27 -12.590 10.492 -10.346 1.00 1.00 C ATOM 401 NZ LYS A 27 -12.326 11.944 -10.235 1.00 1.00 N ATOM 0 H LYS A 27 -7.980 6.720 -8.104 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.906 9.464 -8.819 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -10.427 7.009 -8.244 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.924 8.424 -7.338 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.378 9.020 -10.186 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -11.651 7.835 -9.972 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -12.937 9.339 -8.557 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -11.600 10.466 -8.430 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -12.096 10.093 -11.232 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -13.659 10.319 -10.472 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -12.672 12.426 -11.089 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -12.817 12.323 -9.401 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -11.303 12.104 -10.137 1.00 1.00 H new ATOM 414 N VAL A 28 -7.447 8.330 -6.315 1.00 1.00 N ATOM 415 CA VAL A 28 -6.902 8.626 -5.001 1.00 1.00 C ATOM 416 C VAL A 28 -5.630 9.461 -5.158 1.00 1.00 C ATOM 417 O VAL A 28 -4.685 9.039 -5.823 1.00 1.00 O ATOM 418 CB VAL A 28 -6.674 7.328 -4.225 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.231 7.618 -2.789 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.926 6.449 -4.245 1.00 1.00 C ATOM 0 H VAL A 28 -6.969 7.582 -6.816 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.608 9.217 -4.418 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.872 6.780 -4.719 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -6.076 6.678 -2.259 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.300 8.185 -2.803 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.001 8.198 -2.281 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.736 5.533 -3.686 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.756 6.988 -3.788 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.179 6.200 -5.275 1.00 1.00 H new ATOM 430 N GLU A 29 -5.646 10.630 -4.535 1.00 1.00 N ATOM 431 CA GLU A 29 -4.505 11.527 -4.597 1.00 1.00 C ATOM 432 C GLU A 29 -3.204 10.744 -4.415 1.00 1.00 C ATOM 433 O GLU A 29 -3.070 9.966 -3.472 1.00 1.00 O ATOM 434 CB GLU A 29 -4.626 12.641 -3.555 1.00 1.00 C ATOM 435 CG GLU A 29 -4.664 14.016 -4.224 1.00 1.00 C ATOM 436 CD GLU A 29 -3.850 15.037 -3.425 1.00 1.00 C ATOM 437 OE1 GLU A 29 -2.794 15.489 -3.891 1.00 1.00 O ATOM 438 OE2 GLU A 29 -4.352 15.359 -2.281 1.00 1.00 O ATOM 0 H GLU A 29 -6.432 10.977 -3.985 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.489 11.996 -5.581 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -5.531 12.495 -2.965 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.784 12.592 -2.865 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.268 13.943 -5.237 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.697 14.355 -4.309 1.00 1.00 H new ATOM 446 N CYS A 30 -2.276 10.978 -5.332 1.00 1.00 N ATOM 447 CA CYS A 30 -0.990 10.304 -5.285 1.00 1.00 C ATOM 448 C CYS A 30 -0.455 10.392 -3.854 1.00 1.00 C ATOM 449 O CYS A 30 -0.234 9.370 -3.206 1.00 1.00 O ATOM 450 CB CYS A 30 -0.006 10.890 -6.299 1.00 1.00 C ATOM 451 SG CYS A 30 -0.709 11.196 -7.961 1.00 1.00 S ATOM 0 H CYS A 30 -2.390 11.625 -6.112 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.115 9.257 -5.563 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.383 11.829 -5.906 1.00 1.00 H new ATOM 0 HB3 CYS A 30 0.841 10.211 -6.397 1.00 1.00 H new ATOM 456 N VAL A 31 -0.261 11.623 -3.403 1.00 1.00 N ATOM 457 CA VAL A 31 0.244 11.857 -2.061 1.00 1.00 C ATOM 458 C VAL A 31 -0.414 10.871 -1.094 1.00 1.00 C ATOM 459 O VAL A 31 0.274 10.182 -0.342 1.00 1.00 O ATOM 460 CB VAL A 31 0.024 13.319 -1.667 1.00 1.00 C ATOM 461 CG1 VAL A 31 -1.453 13.702 -1.786 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.549 13.592 -0.256 1.00 1.00 C ATOM 0 H VAL A 31 -0.444 12.468 -3.943 1.00 1.00 H new ATOM 0 HA VAL A 31 1.319 11.682 -2.021 1.00 1.00 H new ATOM 0 HB VAL A 31 0.589 13.942 -2.361 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.582 14.746 -1.500 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.783 13.564 -2.816 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -2.047 13.069 -1.127 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.380 14.638 -0.001 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.025 12.956 0.457 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.617 13.377 -0.217 1.00 1.00 H new ATOM 472 N THR A 32 -1.737 10.836 -1.144 1.00 1.00 N ATOM 473 CA THR A 32 -2.495 9.946 -0.281 1.00 1.00 C ATOM 474 C THR A 32 -1.760 8.615 -0.109 1.00 1.00 C ATOM 475 O THR A 32 -1.850 7.983 0.942 1.00 1.00 O ATOM 476 CB THR A 32 -3.897 9.794 -0.874 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.233 11.107 -1.314 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.951 9.477 0.189 1.00 1.00 C ATOM 0 H THR A 32 -2.304 11.410 -1.769 1.00 1.00 H new ATOM 0 HA THR A 32 -2.594 10.358 0.723 1.00 1.00 H new ATOM 0 HB THR A 32 -3.889 9.004 -1.625 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.204 11.231 -1.261 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.928 9.379 -0.285 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.695 8.543 0.688 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.982 10.283 0.922 1.00 1.00 H new ATOM 486 N CYS A 33 -1.049 8.229 -1.159 1.00 1.00 N ATOM 487 CA CYS A 33 -0.299 6.985 -1.138 1.00 1.00 C ATOM 488 C CYS A 33 1.193 7.324 -1.123 1.00 1.00 C ATOM 489 O CYS A 33 1.940 6.845 -0.273 1.00 1.00 O ATOM 490 CB CYS A 33 -0.668 6.082 -2.316 1.00 1.00 C ATOM 491 SG CYS A 33 -1.744 4.716 -1.745 1.00 1.00 S ATOM 0 H CYS A 33 -0.977 8.756 -2.029 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.551 6.420 -0.240 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.180 6.663 -3.083 1.00 1.00 H new ATOM 0 HB3 CYS A 33 0.236 5.678 -2.772 1.00 1.00 H new ATOM 496 N HIS A 34 1.591 8.158 -2.085 1.00 1.00 N ATOM 497 CA HIS A 34 2.974 8.594 -2.231 1.00 1.00 C ATOM 498 C HIS A 34 3.237 9.807 -1.320 1.00 1.00 C ATOM 499 O HIS A 34 3.352 10.934 -1.797 1.00 1.00 O ATOM 500 CB HIS A 34 3.261 8.849 -3.719 1.00 1.00 C ATOM 501 CG HIS A 34 3.228 7.646 -4.633 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.245 6.784 -4.726 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.260 7.188 -5.495 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.924 5.828 -5.611 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.709 6.029 -6.116 1.00 1.00 N ATOM 0 H HIS A 34 0.960 8.549 -2.784 1.00 1.00 H new ATOM 0 HA HIS A 34 3.671 7.822 -1.905 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.535 9.575 -4.086 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.244 9.312 -3.801 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.122 6.843 -4.209 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.301 7.656 -5.663 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.568 5.003 -5.879 1.00 1.00 H new ATOM 513 N HIS A 35 3.324 9.534 -0.018 1.00 1.00 N ATOM 514 CA HIS A 35 3.570 10.557 0.992 1.00 1.00 C ATOM 515 C HIS A 35 4.774 11.421 0.574 1.00 1.00 C ATOM 516 O HIS A 35 5.578 11.002 -0.257 1.00 1.00 O ATOM 517 CB HIS A 35 3.724 9.879 2.361 1.00 1.00 C ATOM 518 CG HIS A 35 4.999 9.103 2.595 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.210 9.645 2.439 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.210 7.801 2.982 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.140 8.718 2.717 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.577 7.560 3.058 1.00 1.00 N ATOM 0 H HIS A 35 3.225 8.594 0.364 1.00 1.00 H new ATOM 0 HA HIS A 35 2.728 11.244 1.077 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.647 10.646 3.131 1.00 1.00 H new ATOM 0 HB3 HIS A 35 2.882 9.201 2.501 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.397 10.607 2.155 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.435 7.079 3.194 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.205 8.889 2.670 1.00 1.00 H new ATOM 530 N LEU A 36 4.858 12.602 1.170 1.00 1.00 N ATOM 531 CA LEU A 36 5.946 13.517 0.868 1.00 1.00 C ATOM 532 C LEU A 36 7.157 13.164 1.735 1.00 1.00 C ATOM 533 O LEU A 36 7.004 12.686 2.857 1.00 1.00 O ATOM 534 CB LEU A 36 5.484 14.967 1.018 1.00 1.00 C ATOM 535 CG LEU A 36 4.043 15.259 0.597 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.199 15.700 1.795 1.00 1.00 C ATOM 537 CD2 LEU A 36 4.000 16.281 -0.541 1.00 1.00 C ATOM 0 H LEU A 36 4.190 12.946 1.860 1.00 1.00 H new ATOM 0 HA LEU A 36 6.255 13.412 -0.172 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.603 15.259 2.061 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.148 15.602 0.432 1.00 1.00 H new ATOM 0 HG LEU A 36 3.605 14.336 0.218 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.179 15.901 1.467 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.190 14.909 2.545 1.00 1.00 H new ATOM 0 HD13 LEU A 36 3.626 16.605 2.228 1.00 1.00 H new ATOM 0 HD21 LEU A 36 2.964 16.470 -0.821 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.463 17.211 -0.212 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.543 15.890 -1.402 1.00 1.00 H new ATOM 549 N VAL A 37 8.334 13.414 1.180 1.00 1.00 N ATOM 550 CA VAL A 37 9.571 13.130 1.888 1.00 1.00 C ATOM 551 C VAL A 37 10.323 14.438 2.138 1.00 1.00 C ATOM 552 O VAL A 37 10.795 15.076 1.199 1.00 1.00 O ATOM 553 CB VAL A 37 10.397 12.105 1.107 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.758 11.880 1.768 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.635 10.787 0.957 1.00 1.00 C ATOM 0 H VAL A 37 8.457 13.810 0.248 1.00 1.00 H new ATOM 0 HA VAL A 37 9.361 12.686 2.861 1.00 1.00 H new ATOM 0 HB VAL A 37 10.572 12.506 0.109 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.325 11.147 1.193 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.307 12.821 1.799 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.613 11.511 2.783 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.244 10.076 0.398 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.415 10.380 1.944 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.702 10.965 0.422 1.00 1.00 H new ATOM 565 N ASP A 38 10.412 14.799 3.410 1.00 1.00 N ATOM 566 CA ASP A 38 11.099 16.019 3.796 1.00 1.00 C ATOM 567 C ASP A 38 10.538 17.192 2.989 1.00 1.00 C ATOM 568 O ASP A 38 11.288 18.059 2.543 1.00 1.00 O ATOM 569 CB ASP A 38 12.598 15.922 3.508 1.00 1.00 C ATOM 570 CG ASP A 38 13.501 16.583 4.552 1.00 1.00 C ATOM 571 OD1 ASP A 38 13.698 16.052 5.655 1.00 1.00 O ATOM 572 OD2 ASP A 38 14.020 17.708 4.189 1.00 1.00 O ATOM 0 H ASP A 38 10.019 14.267 4.187 1.00 1.00 H new ATOM 0 HA ASP A 38 10.946 16.168 4.865 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.870 14.870 3.428 1.00 1.00 H new ATOM 0 HB3 ASP A 38 12.796 16.377 2.538 1.00 1.00 H new ATOM 578 N GLY A 39 9.223 17.181 2.825 1.00 1.00 N ATOM 579 CA GLY A 39 8.553 18.233 2.079 1.00 1.00 C ATOM 580 C GLY A 39 9.123 18.350 0.664 1.00 1.00 C ATOM 581 O GLY A 39 9.274 19.454 0.142 1.00 1.00 O ATOM 0 H GLY A 39 8.604 16.460 3.196 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.484 18.024 2.028 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.667 19.183 2.601 1.00 1.00 H new ATOM 585 N LYS A 40 9.425 17.198 0.084 1.00 1.00 N ATOM 586 CA LYS A 40 9.976 17.158 -1.260 1.00 1.00 C ATOM 587 C LYS A 40 9.281 16.054 -2.059 1.00 1.00 C ATOM 588 O LYS A 40 9.577 14.874 -1.881 1.00 1.00 O ATOM 589 CB LYS A 40 11.499 17.016 -1.211 1.00 1.00 C ATOM 590 CG LYS A 40 12.179 18.125 -2.014 1.00 1.00 C ATOM 591 CD LYS A 40 13.702 18.037 -1.891 1.00 1.00 C ATOM 592 CE LYS A 40 14.187 18.704 -0.602 1.00 1.00 C ATOM 593 NZ LYS A 40 14.751 20.042 -0.892 1.00 1.00 N ATOM 0 H LYS A 40 9.299 16.285 0.520 1.00 1.00 H new ATOM 0 HA LYS A 40 9.783 18.097 -1.779 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.838 17.052 -0.176 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.790 16.044 -1.608 1.00 1.00 H new ATOM 0 HG2 LYS A 40 11.890 18.049 -3.062 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.838 19.097 -1.659 1.00 1.00 H new ATOM 0 HD2 LYS A 40 14.012 16.992 -1.903 1.00 1.00 H new ATOM 0 HD3 LYS A 40 14.168 18.517 -2.751 1.00 1.00 H new ATOM 0 HE2 LYS A 40 13.359 18.796 0.101 1.00 1.00 H new ATOM 0 HE3 LYS A 40 14.942 18.080 -0.124 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 15.076 20.481 -0.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 15.554 19.946 -1.546 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 14.020 20.640 -1.327 1.00 1.00 H new ATOM 606 N GLU A 41 8.369 16.478 -2.922 1.00 1.00 N ATOM 607 CA GLU A 41 7.629 15.540 -3.749 1.00 1.00 C ATOM 608 C GLU A 41 8.573 14.486 -4.331 1.00 1.00 C ATOM 609 O GLU A 41 9.541 14.822 -5.011 1.00 1.00 O ATOM 610 CB GLU A 41 6.869 16.268 -4.859 1.00 1.00 C ATOM 611 CG GLU A 41 5.425 16.553 -4.440 1.00 1.00 C ATOM 612 CD GLU A 41 4.543 16.822 -5.661 1.00 1.00 C ATOM 613 OE1 GLU A 41 4.920 17.618 -6.534 1.00 1.00 O ATOM 614 OE2 GLU A 41 3.430 16.170 -5.684 1.00 1.00 O ATOM 0 H GLU A 41 8.126 17.458 -3.066 1.00 1.00 H new ATOM 0 HA GLU A 41 6.894 15.035 -3.122 1.00 1.00 H new ATOM 0 HB2 GLU A 41 7.374 17.204 -5.096 1.00 1.00 H new ATOM 0 HB3 GLU A 41 6.876 15.663 -5.766 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.030 15.704 -3.882 1.00 1.00 H new ATOM 0 HG3 GLU A 41 5.400 17.414 -3.772 1.00 1.00 H new ATOM 622 N SER A 42 8.258 13.231 -4.042 1.00 1.00 N ATOM 623 CA SER A 42 9.066 12.126 -4.529 1.00 1.00 C ATOM 624 C SER A 42 8.167 10.948 -4.909 1.00 1.00 C ATOM 625 O SER A 42 7.026 10.828 -4.467 1.00 1.00 O ATOM 626 CB SER A 42 10.094 11.693 -3.482 1.00 1.00 C ATOM 627 OG SER A 42 11.013 10.735 -4.000 1.00 1.00 O ATOM 0 H SER A 42 7.455 12.956 -3.477 1.00 1.00 H new ATOM 0 HA SER A 42 9.607 12.462 -5.414 1.00 1.00 H new ATOM 0 HB2 SER A 42 10.642 12.567 -3.129 1.00 1.00 H new ATOM 0 HB3 SER A 42 9.578 11.271 -2.620 1.00 1.00 H new ATOM 0 HG SER A 42 11.654 10.485 -3.302 1.00 1.00 H new ATOM 633 N TYR A 43 8.715 10.068 -5.750 1.00 1.00 N ATOM 634 CA TYR A 43 7.993 8.899 -6.208 1.00 1.00 C ATOM 635 C TYR A 43 8.943 7.715 -6.317 1.00 1.00 C ATOM 636 O TYR A 43 9.047 7.133 -7.396 1.00 1.00 O ATOM 637 CB TYR A 43 7.344 9.198 -7.556 1.00 1.00 C ATOM 638 CG TYR A 43 6.237 10.221 -7.479 1.00 1.00 C ATOM 639 CD1 TYR A 43 6.546 11.586 -7.443 1.00 1.00 C ATOM 640 CD2 TYR A 43 4.900 9.805 -7.442 1.00 1.00 C ATOM 641 CE1 TYR A 43 5.519 12.535 -7.371 1.00 1.00 C ATOM 642 CE2 TYR A 43 3.874 10.754 -7.371 1.00 1.00 C ATOM 643 CZ TYR A 43 4.183 12.119 -7.335 1.00 1.00 C ATOM 644 OH TYR A 43 3.182 13.044 -7.266 1.00 1.00 O ATOM 0 H TYR A 43 9.660 10.151 -6.124 1.00 1.00 H new ATOM 0 HA TYR A 43 7.211 8.647 -5.492 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.108 9.553 -8.247 1.00 1.00 H new ATOM 0 HB3 TYR A 43 6.944 8.273 -7.971 1.00 1.00 H new ATOM 0 HD1 TYR A 43 7.577 11.907 -7.471 1.00 1.00 H new ATOM 0 HD2 TYR A 43 4.661 8.752 -7.468 1.00 1.00 H new ATOM 0 HE1 TYR A 43 5.758 13.588 -7.343 1.00 1.00 H new ATOM 0 HE2 TYR A 43 2.843 10.433 -7.344 1.00 1.00 H new ATOM 0 HH TYR A 43 2.315 12.587 -7.250 1.00 1.00 H new ATOM 654 N ALA A 44 9.609 7.385 -5.220 1.00 1.00 N ATOM 655 CA ALA A 44 10.542 6.271 -5.217 1.00 1.00 C ATOM 656 C ALA A 44 9.830 5.017 -4.705 1.00 1.00 C ATOM 657 O ALA A 44 8.942 5.105 -3.858 1.00 1.00 O ATOM 658 CB ALA A 44 11.766 6.632 -4.373 1.00 1.00 C ATOM 0 H ALA A 44 9.521 7.870 -4.327 1.00 1.00 H new ATOM 0 HA ALA A 44 10.893 6.062 -6.227 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.466 5.796 -4.371 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.252 7.511 -4.795 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.453 6.846 -3.351 1.00 1.00 H new ATOM 664 N LYS A 45 10.246 3.879 -5.241 1.00 1.00 N ATOM 665 CA LYS A 45 9.660 2.609 -4.849 1.00 1.00 C ATOM 666 C LYS A 45 9.594 2.532 -3.322 1.00 1.00 C ATOM 667 O LYS A 45 10.369 3.190 -2.630 1.00 1.00 O ATOM 668 CB LYS A 45 10.419 1.447 -5.491 1.00 1.00 C ATOM 669 CG LYS A 45 10.140 1.372 -6.993 1.00 1.00 C ATOM 670 CD LYS A 45 11.440 1.446 -7.797 1.00 1.00 C ATOM 671 CE LYS A 45 11.570 2.795 -8.507 1.00 1.00 C ATOM 672 NZ LYS A 45 12.781 2.820 -9.356 1.00 1.00 N ATOM 0 H LYS A 45 10.982 3.810 -5.944 1.00 1.00 H new ATOM 0 HA LYS A 45 8.637 2.532 -5.217 1.00 1.00 H new ATOM 0 HB2 LYS A 45 11.489 1.569 -5.322 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.126 0.511 -5.016 1.00 1.00 H new ATOM 0 HG2 LYS A 45 9.618 0.443 -7.224 1.00 1.00 H new ATOM 0 HG3 LYS A 45 9.481 2.189 -7.285 1.00 1.00 H new ATOM 0 HD2 LYS A 45 12.291 1.297 -7.133 1.00 1.00 H new ATOM 0 HD3 LYS A 45 11.464 0.641 -8.531 1.00 1.00 H new ATOM 0 HE2 LYS A 45 10.686 2.977 -9.119 1.00 1.00 H new ATOM 0 HE3 LYS A 45 11.619 3.597 -7.770 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 12.853 3.743 -9.830 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 13.623 2.668 -8.765 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 12.719 2.067 -10.071 1.00 1.00 H new ATOM 685 N CYS A 46 8.662 1.722 -2.842 1.00 1.00 N ATOM 686 CA CYS A 46 8.485 1.551 -1.410 1.00 1.00 C ATOM 687 C CYS A 46 9.849 1.240 -0.791 1.00 1.00 C ATOM 688 O CYS A 46 10.127 1.636 0.340 1.00 1.00 O ATOM 689 CB CYS A 46 7.454 0.465 -1.093 1.00 1.00 C ATOM 690 SG CYS A 46 5.784 1.090 -0.679 1.00 1.00 S ATOM 0 H CYS A 46 8.022 1.177 -3.419 1.00 1.00 H new ATOM 0 HA CYS A 46 8.092 2.471 -0.977 1.00 1.00 H new ATOM 0 HB2 CYS A 46 7.374 -0.202 -1.951 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.821 -0.132 -0.258 1.00 1.00 H new ATOM 695 N GLY A 47 10.665 0.533 -1.560 1.00 1.00 N ATOM 696 CA GLY A 47 11.993 0.164 -1.102 1.00 1.00 C ATOM 697 C GLY A 47 13.073 0.860 -1.932 1.00 1.00 C ATOM 698 O GLY A 47 13.835 0.205 -2.641 1.00 1.00 O ATOM 0 H GLY A 47 10.431 0.206 -2.498 1.00 1.00 H new ATOM 0 HA2 GLY A 47 12.107 0.433 -0.052 1.00 1.00 H new ATOM 0 HA3 GLY A 47 12.118 -0.917 -1.170 1.00 1.00 H new ATOM 702 N SER A 48 13.103 2.180 -1.818 1.00 1.00 N ATOM 703 CA SER A 48 14.077 2.972 -2.549 1.00 1.00 C ATOM 704 C SER A 48 15.249 3.336 -1.635 1.00 1.00 C ATOM 705 O SER A 48 15.175 3.150 -0.422 1.00 1.00 O ATOM 706 CB SER A 48 13.438 4.239 -3.122 1.00 1.00 C ATOM 707 OG SER A 48 14.409 5.130 -3.663 1.00 1.00 O ATOM 0 H SER A 48 12.468 2.721 -1.230 1.00 1.00 H new ATOM 0 HA SER A 48 14.447 2.375 -3.382 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.725 3.965 -3.899 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.876 4.748 -2.339 1.00 1.00 H new ATOM 0 HG SER A 48 14.261 6.031 -3.307 1.00 1.00 H new ATOM 713 N SER A 49 16.303 3.849 -2.253 1.00 1.00 N ATOM 714 CA SER A 49 17.489 4.240 -1.511 1.00 1.00 C ATOM 715 C SER A 49 17.089 5.049 -0.275 1.00 1.00 C ATOM 716 O SER A 49 16.519 6.132 -0.395 1.00 1.00 O ATOM 717 CB SER A 49 18.445 5.050 -2.388 1.00 1.00 C ATOM 718 OG SER A 49 19.164 4.222 -3.299 1.00 1.00 O ATOM 0 H SER A 49 16.360 4.003 -3.260 1.00 1.00 H new ATOM 0 HA SER A 49 18.008 3.335 -1.194 1.00 1.00 H new ATOM 0 HB2 SER A 49 17.881 5.798 -2.945 1.00 1.00 H new ATOM 0 HB3 SER A 49 19.149 5.589 -1.755 1.00 1.00 H new ATOM 0 HG SER A 49 19.762 4.776 -3.842 1.00 1.00 H new ATOM 724 N GLY A 50 17.403 4.491 0.885 1.00 1.00 N ATOM 725 CA GLY A 50 17.084 5.146 2.142 1.00 1.00 C ATOM 726 C GLY A 50 15.570 5.239 2.343 1.00 1.00 C ATOM 727 O GLY A 50 15.026 6.332 2.499 1.00 1.00 O ATOM 0 H GLY A 50 17.875 3.592 0.981 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.531 4.593 2.968 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.518 6.146 2.156 1.00 1.00 H new ATOM 731 N CYS A 51 14.931 4.078 2.332 1.00 1.00 N ATOM 732 CA CYS A 51 13.491 4.015 2.511 1.00 1.00 C ATOM 733 C CYS A 51 13.149 2.688 3.193 1.00 1.00 C ATOM 734 O CYS A 51 13.896 2.206 4.042 1.00 1.00 O ATOM 735 CB CYS A 51 12.748 4.182 1.184 1.00 1.00 C ATOM 736 SG CYS A 51 13.429 5.608 0.261 1.00 1.00 S ATOM 0 H CYS A 51 15.385 3.174 2.202 1.00 1.00 H new ATOM 0 HA CYS A 51 13.164 4.842 3.142 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.842 3.274 0.588 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.685 4.333 1.370 1.00 1.00 H new ATOM 741 N HIS A 52 12.008 2.126 2.793 1.00 1.00 N ATOM 742 CA HIS A 52 11.518 0.862 3.329 1.00 1.00 C ATOM 743 C HIS A 52 12.078 -0.308 2.499 1.00 1.00 C ATOM 744 O HIS A 52 11.398 -0.815 1.609 1.00 1.00 O ATOM 745 CB HIS A 52 9.984 0.911 3.396 1.00 1.00 C ATOM 746 CG HIS A 52 9.365 2.216 3.844 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.315 2.585 5.127 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.771 3.229 3.130 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.712 3.782 5.210 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.356 4.225 4.006 1.00 1.00 N ATOM 0 H HIS A 52 11.398 2.538 2.086 1.00 1.00 H new ATOM 0 HA HIS A 52 11.870 0.698 4.347 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.592 0.670 2.408 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.648 0.125 4.072 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.676 2.046 5.914 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.646 3.248 2.057 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.538 4.316 6.133 1.00 1.00 H new ATOM 758 N ASP A 53 13.303 -0.696 2.822 1.00 1.00 N ATOM 759 CA ASP A 53 13.951 -1.790 2.118 1.00 1.00 C ATOM 760 C ASP A 53 14.629 -2.713 3.133 1.00 1.00 C ATOM 761 O ASP A 53 15.805 -3.044 2.987 1.00 1.00 O ATOM 762 CB ASP A 53 15.024 -1.270 1.160 1.00 1.00 C ATOM 763 CG ASP A 53 16.291 -0.739 1.835 1.00 1.00 C ATOM 764 OD1 ASP A 53 17.366 -1.350 1.747 1.00 1.00 O ATOM 765 OD2 ASP A 53 16.140 0.366 2.483 1.00 1.00 O ATOM 0 H ASP A 53 13.864 -0.273 3.561 1.00 1.00 H new ATOM 0 HA ASP A 53 13.189 -2.324 1.550 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.303 -2.074 0.479 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.593 -0.474 0.553 1.00 1.00 H new ATOM 771 N ASP A 54 13.859 -3.101 4.138 1.00 1.00 N ATOM 772 CA ASP A 54 14.371 -3.979 5.177 1.00 1.00 C ATOM 773 C ASP A 54 13.219 -4.804 5.755 1.00 1.00 C ATOM 774 O ASP A 54 12.535 -4.361 6.676 1.00 1.00 O ATOM 775 CB ASP A 54 14.996 -3.175 6.319 1.00 1.00 C ATOM 776 CG ASP A 54 16.511 -3.332 6.466 1.00 1.00 C ATOM 777 OD1 ASP A 54 17.273 -3.092 5.518 1.00 1.00 O ATOM 778 OD2 ASP A 54 16.907 -3.726 7.629 1.00 1.00 O ATOM 0 H ASP A 54 12.884 -2.824 4.256 1.00 1.00 H new ATOM 0 HA ASP A 54 15.130 -4.622 4.731 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.768 -2.120 6.168 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.522 -3.473 7.255 1.00 1.00 H new ATOM 784 N LEU A 55 13.040 -5.989 5.190 1.00 1.00 N ATOM 785 CA LEU A 55 11.983 -6.880 5.637 1.00 1.00 C ATOM 786 C LEU A 55 12.549 -7.857 6.670 1.00 1.00 C ATOM 787 O LEU A 55 11.949 -8.897 6.939 1.00 1.00 O ATOM 788 CB LEU A 55 11.318 -7.564 4.442 1.00 1.00 C ATOM 789 CG LEU A 55 10.079 -6.868 3.874 1.00 1.00 C ATOM 790 CD1 LEU A 55 9.902 -7.190 2.389 1.00 1.00 C ATOM 791 CD2 LEU A 55 8.832 -7.216 4.689 1.00 1.00 C ATOM 0 H LEU A 55 13.610 -6.353 4.426 1.00 1.00 H new ATOM 0 HA LEU A 55 11.192 -6.316 6.131 1.00 1.00 H new ATOM 0 HB2 LEU A 55 12.056 -7.656 3.645 1.00 1.00 H new ATOM 0 HB3 LEU A 55 11.039 -8.576 4.737 1.00 1.00 H new ATOM 0 HG LEU A 55 10.225 -5.791 3.955 1.00 1.00 H new ATOM 0 HD11 LEU A 55 9.015 -6.683 2.010 1.00 1.00 H new ATOM 0 HD12 LEU A 55 10.778 -6.850 1.836 1.00 1.00 H new ATOM 0 HD13 LEU A 55 9.787 -8.266 2.261 1.00 1.00 H new ATOM 0 HD21 LEU A 55 7.966 -6.708 4.264 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.670 -8.294 4.663 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.971 -6.894 5.721 1.00 1.00 H new ATOM 803 N THR A 56 13.697 -7.489 7.219 1.00 1.00 N ATOM 804 CA THR A 56 14.350 -8.320 8.216 1.00 1.00 C ATOM 805 C THR A 56 14.086 -7.776 9.621 1.00 1.00 C ATOM 806 O THR A 56 14.433 -8.414 10.613 1.00 1.00 O ATOM 807 CB THR A 56 15.837 -8.399 7.864 1.00 1.00 C ATOM 808 OG1 THR A 56 16.171 -9.769 8.073 1.00 1.00 O ATOM 809 CG2 THR A 56 16.716 -7.646 8.864 1.00 1.00 C ATOM 0 H THR A 56 14.192 -6.626 6.992 1.00 1.00 H new ATOM 0 HA THR A 56 13.946 -9.332 8.213 1.00 1.00 H new ATOM 0 HB THR A 56 15.995 -7.994 6.864 1.00 1.00 H new ATOM 0 HG1 THR A 56 17.119 -9.910 7.866 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.761 -7.734 8.568 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.430 -6.594 8.880 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.584 -8.073 9.858 1.00 1.00 H new ATOM 817 N ALA A 57 13.474 -6.602 9.660 1.00 1.00 N ATOM 818 CA ALA A 57 13.159 -5.964 10.927 1.00 1.00 C ATOM 819 C ALA A 57 11.810 -6.479 11.432 1.00 1.00 C ATOM 820 O ALA A 57 11.703 -6.945 12.565 1.00 1.00 O ATOM 821 CB ALA A 57 13.173 -4.444 10.751 1.00 1.00 C ATOM 0 H ALA A 57 13.188 -6.076 8.835 1.00 1.00 H new ATOM 0 HA ALA A 57 13.909 -6.213 11.678 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.937 -3.965 11.701 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.161 -4.125 10.420 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.431 -4.157 10.006 1.00 1.00 H new ATOM 827 N LYS A 58 10.812 -6.380 10.565 1.00 1.00 N ATOM 828 CA LYS A 58 9.474 -6.830 10.908 1.00 1.00 C ATOM 829 C LYS A 58 8.691 -5.668 11.522 1.00 1.00 C ATOM 830 O LYS A 58 7.485 -5.550 11.314 1.00 1.00 O ATOM 831 CB LYS A 58 9.540 -8.069 11.804 1.00 1.00 C ATOM 832 CG LYS A 58 8.346 -8.992 11.551 1.00 1.00 C ATOM 833 CD LYS A 58 8.695 -10.070 10.523 1.00 1.00 C ATOM 834 CE LYS A 58 9.641 -11.113 11.122 1.00 1.00 C ATOM 835 NZ LYS A 58 9.840 -12.235 10.177 1.00 1.00 N ATOM 0 H LYS A 58 10.904 -5.994 9.625 1.00 1.00 H new ATOM 0 HA LYS A 58 8.935 -7.140 10.013 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.468 -8.609 11.616 1.00 1.00 H new ATOM 0 HB3 LYS A 58 9.554 -7.765 12.851 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.040 -9.461 12.486 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.498 -8.407 11.196 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.783 -10.557 10.177 1.00 1.00 H new ATOM 0 HD3 LYS A 58 9.160 -9.610 9.652 1.00 1.00 H new ATOM 0 HE2 LYS A 58 10.601 -10.651 11.355 1.00 1.00 H new ATOM 0 HE3 LYS A 58 9.232 -11.488 12.060 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 10.484 -12.934 10.599 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 8.925 -12.685 9.975 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 10.251 -11.875 9.292 1.00 1.00 H new ATOM 848 N LYS A 59 9.410 -4.839 12.265 1.00 1.00 N ATOM 849 CA LYS A 59 8.797 -3.691 12.910 1.00 1.00 C ATOM 850 C LYS A 59 9.801 -2.537 12.949 1.00 1.00 C ATOM 851 O LYS A 59 10.940 -2.714 13.379 1.00 1.00 O ATOM 852 CB LYS A 59 8.251 -4.077 14.287 1.00 1.00 C ATOM 853 CG LYS A 59 9.374 -4.567 15.203 1.00 1.00 C ATOM 854 CD LYS A 59 9.699 -6.038 14.934 1.00 1.00 C ATOM 855 CE LYS A 59 10.505 -6.641 16.085 1.00 1.00 C ATOM 856 NZ LYS A 59 10.461 -8.120 16.030 1.00 1.00 N ATOM 0 H LYS A 59 10.411 -4.940 12.434 1.00 1.00 H new ATOM 0 HA LYS A 59 7.936 -3.347 12.336 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.756 -3.218 14.740 1.00 1.00 H new ATOM 0 HB3 LYS A 59 7.498 -4.858 14.178 1.00 1.00 H new ATOM 0 HG2 LYS A 59 10.266 -3.960 15.048 1.00 1.00 H new ATOM 0 HG3 LYS A 59 9.080 -4.441 16.245 1.00 1.00 H new ATOM 0 HD2 LYS A 59 8.775 -6.600 14.799 1.00 1.00 H new ATOM 0 HD3 LYS A 59 10.263 -6.125 14.005 1.00 1.00 H new ATOM 0 HE2 LYS A 59 11.539 -6.300 16.031 1.00 1.00 H new ATOM 0 HE3 LYS A 59 10.105 -6.295 17.038 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 11.013 -8.513 16.819 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 9.475 -8.441 16.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 10.864 -8.446 15.128 1.00 1.00 H new ATOM 869 N GLY A 60 9.343 -1.380 12.493 1.00 1.00 N ATOM 870 CA GLY A 60 10.187 -0.198 12.469 1.00 1.00 C ATOM 871 C GLY A 60 9.931 0.634 11.211 1.00 1.00 C ATOM 872 O GLY A 60 9.083 0.282 10.392 1.00 1.00 O ATOM 0 H GLY A 60 8.398 -1.236 12.137 1.00 1.00 H new ATOM 0 HA2 GLY A 60 9.996 0.408 13.355 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.235 -0.495 12.506 1.00 1.00 H new ATOM 876 N GLU A 61 10.678 1.722 11.097 1.00 1.00 N ATOM 877 CA GLU A 61 10.543 2.607 9.952 1.00 1.00 C ATOM 878 C GLU A 61 11.406 2.109 8.791 1.00 1.00 C ATOM 879 O GLU A 61 11.657 2.846 7.839 1.00 1.00 O ATOM 880 CB GLU A 61 10.904 4.046 10.326 1.00 1.00 C ATOM 881 CG GLU A 61 12.150 4.086 11.212 1.00 1.00 C ATOM 882 CD GLU A 61 12.831 5.454 11.140 1.00 1.00 C ATOM 883 OE1 GLU A 61 13.897 5.584 10.520 1.00 1.00 O ATOM 884 OE2 GLU A 61 12.212 6.404 11.756 1.00 1.00 O ATOM 0 H GLU A 61 11.379 2.011 11.779 1.00 1.00 H new ATOM 0 HA GLU A 61 9.501 2.600 9.633 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.078 4.628 9.421 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.067 4.511 10.848 1.00 1.00 H new ATOM 0 HG2 GLU A 61 11.874 3.867 12.244 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.849 3.311 10.898 1.00 1.00 H new ATOM 892 N LYS A 62 11.836 0.861 8.908 1.00 1.00 N ATOM 893 CA LYS A 62 12.665 0.256 7.880 1.00 1.00 C ATOM 894 C LYS A 62 12.077 -1.102 7.490 1.00 1.00 C ATOM 895 O LYS A 62 12.815 -2.044 7.206 1.00 1.00 O ATOM 896 CB LYS A 62 14.123 0.185 8.340 1.00 1.00 C ATOM 897 CG LYS A 62 14.624 1.560 8.787 1.00 1.00 C ATOM 898 CD LYS A 62 15.733 2.066 7.864 1.00 1.00 C ATOM 899 CE LYS A 62 16.193 3.466 8.275 1.00 1.00 C ATOM 900 NZ LYS A 62 15.988 4.425 7.167 1.00 1.00 N ATOM 0 H LYS A 62 11.626 0.253 9.699 1.00 1.00 H new ATOM 0 HA LYS A 62 12.668 0.873 6.981 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.215 -0.524 9.162 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.747 -0.187 7.527 1.00 1.00 H new ATOM 0 HG2 LYS A 62 13.796 2.269 8.790 1.00 1.00 H new ATOM 0 HG3 LYS A 62 14.996 1.501 9.810 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.578 1.378 7.894 1.00 1.00 H new ATOM 0 HD3 LYS A 62 15.374 2.085 6.835 1.00 1.00 H new ATOM 0 HE2 LYS A 62 15.639 3.794 9.155 1.00 1.00 H new ATOM 0 HE3 LYS A 62 17.247 3.442 8.553 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 16.305 5.370 7.463 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 16.536 4.120 6.338 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 14.978 4.460 6.921 1.00 1.00 H new ATOM 913 N SER A 63 10.753 -1.159 7.488 1.00 1.00 N ATOM 914 CA SER A 63 10.057 -2.385 7.137 1.00 1.00 C ATOM 915 C SER A 63 8.905 -2.078 6.179 1.00 1.00 C ATOM 916 O SER A 63 8.222 -1.066 6.329 1.00 1.00 O ATOM 917 CB SER A 63 9.534 -3.098 8.386 1.00 1.00 C ATOM 918 OG SER A 63 9.405 -4.503 8.184 1.00 1.00 O ATOM 0 H SER A 63 10.144 -0.376 7.724 1.00 1.00 H new ATOM 0 HA SER A 63 10.765 -3.050 6.641 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.211 -2.912 9.220 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.566 -2.681 8.663 1.00 1.00 H new ATOM 0 HG SER A 63 8.924 -4.899 8.940 1.00 1.00 H new ATOM 924 N LEU A 64 8.724 -2.969 5.216 1.00 1.00 N ATOM 925 CA LEU A 64 7.666 -2.805 4.234 1.00 1.00 C ATOM 926 C LEU A 64 6.471 -3.675 4.628 1.00 1.00 C ATOM 927 O LEU A 64 5.774 -4.246 3.792 1.00 1.00 O ATOM 928 CB LEU A 64 8.193 -3.088 2.826 1.00 1.00 C ATOM 929 CG LEU A 64 7.218 -2.820 1.678 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.847 -1.337 1.608 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.779 -3.333 0.350 1.00 1.00 C ATOM 0 H LEU A 64 9.292 -3.807 5.095 1.00 1.00 H new ATOM 0 HA LEU A 64 7.318 -1.772 4.218 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.086 -2.484 2.666 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.501 -4.132 2.778 1.00 1.00 H new ATOM 0 HG LEU A 64 6.300 -3.373 1.875 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.153 -1.174 0.783 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.376 -1.035 2.544 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.747 -0.744 1.447 1.00 1.00 H new ATOM 0 HD21 LEU A 64 7.066 -3.130 -0.449 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.720 -2.828 0.133 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.951 -4.407 0.418 1.00 1.00 H new ATOM 943 N TYR A 65 6.247 -3.764 5.941 1.00 1.00 N ATOM 944 CA TYR A 65 5.154 -4.550 6.477 1.00 1.00 C ATOM 945 C TYR A 65 4.342 -3.710 7.452 1.00 1.00 C ATOM 946 O TYR A 65 3.129 -3.872 7.556 1.00 1.00 O ATOM 947 CB TYR A 65 5.714 -5.791 7.169 1.00 1.00 C ATOM 948 CG TYR A 65 4.817 -6.330 8.257 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.809 -7.249 7.942 1.00 1.00 C ATOM 950 CD2 TYR A 65 4.993 -5.911 9.581 1.00 1.00 C ATOM 951 CE1 TYR A 65 2.977 -7.749 8.951 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.161 -6.411 10.590 1.00 1.00 C ATOM 953 CZ TYR A 65 3.153 -7.330 10.276 1.00 1.00 C ATOM 954 OH TYR A 65 2.343 -7.817 11.259 1.00 1.00 O ATOM 0 H TYR A 65 6.815 -3.297 6.648 1.00 1.00 H new ATOM 0 HA TYR A 65 4.497 -4.865 5.667 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.877 -6.570 6.424 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.687 -5.551 7.597 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.673 -7.572 6.921 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.771 -5.202 9.824 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.199 -8.458 8.708 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.297 -6.087 11.611 1.00 1.00 H new ATOM 0 HH TYR A 65 2.601 -7.425 12.119 1.00 1.00 H new ATOM 964 N TYR A 66 5.016 -2.807 8.169 1.00 1.00 N ATOM 965 CA TYR A 66 4.356 -1.948 9.130 1.00 1.00 C ATOM 966 C TYR A 66 3.842 -0.695 8.436 1.00 1.00 C ATOM 967 O TYR A 66 3.218 0.136 9.095 1.00 1.00 O ATOM 968 CB TYR A 66 5.334 -1.588 10.245 1.00 1.00 C ATOM 969 CG TYR A 66 4.726 -0.727 11.326 1.00 1.00 C ATOM 970 CD1 TYR A 66 3.991 -1.318 12.361 1.00 1.00 C ATOM 971 CD2 TYR A 66 4.896 0.662 11.293 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.428 -0.520 13.364 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.332 1.460 12.296 1.00 1.00 C ATOM 974 CZ TYR A 66 3.598 0.869 13.331 1.00 1.00 C ATOM 975 OH TYR A 66 3.049 1.646 14.309 1.00 1.00 O ATOM 0 H TYR A 66 6.022 -2.659 8.095 1.00 1.00 H new ATOM 0 HA TYR A 66 3.505 -2.471 9.566 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.715 -2.506 10.694 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.188 -1.066 9.814 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.858 -2.390 12.385 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.462 1.118 10.494 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.863 -0.976 14.163 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.463 2.532 12.271 1.00 1.00 H new ATOM 0 HH TYR A 66 3.262 2.587 14.137 1.00 1.00 H new ATOM 985 N VAL A 67 4.108 -0.582 7.143 1.00 1.00 N ATOM 986 CA VAL A 67 3.663 0.576 6.386 1.00 1.00 C ATOM 987 C VAL A 67 2.739 0.117 5.257 1.00 1.00 C ATOM 988 O VAL A 67 2.317 0.923 4.429 1.00 1.00 O ATOM 989 CB VAL A 67 4.872 1.369 5.885 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.834 1.685 7.031 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.588 0.623 4.757 1.00 1.00 C ATOM 0 H VAL A 67 4.626 -1.273 6.600 1.00 1.00 H new ATOM 0 HA VAL A 67 3.089 1.251 7.021 1.00 1.00 H new ATOM 0 HB VAL A 67 4.509 2.315 5.483 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.684 2.249 6.647 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.318 2.276 7.787 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.187 0.755 7.477 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.443 1.208 4.419 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.932 -0.345 5.122 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.899 0.473 3.925 1.00 1.00 H new ATOM 1001 N VAL A 68 2.452 -1.176 5.259 1.00 1.00 N ATOM 1002 CA VAL A 68 1.585 -1.752 4.245 1.00 1.00 C ATOM 1003 C VAL A 68 0.227 -2.082 4.868 1.00 1.00 C ATOM 1004 O VAL A 68 -0.817 -1.849 4.263 1.00 1.00 O ATOM 1005 CB VAL A 68 2.262 -2.968 3.607 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.223 -3.949 3.061 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.240 -2.539 2.512 1.00 1.00 C ATOM 0 H VAL A 68 2.804 -1.842 5.947 1.00 1.00 H new ATOM 0 HA VAL A 68 1.408 -1.036 3.442 1.00 1.00 H new ATOM 0 HB VAL A 68 2.832 -3.480 4.382 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.730 -4.804 2.613 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.583 -4.292 3.874 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.614 -3.452 2.306 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.707 -3.422 2.075 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.702 -1.992 1.737 1.00 1.00 H new ATOM 0 HG23 VAL A 68 4.009 -1.897 2.942 1.00 1.00 H new ATOM 1017 N HIS A 69 0.282 -2.626 6.084 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.908 -3.008 6.835 1.00 1.00 C ATOM 1019 C HIS A 69 -1.232 -1.926 7.881 1.00 1.00 C ATOM 1020 O HIS A 69 -2.073 -1.061 7.637 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.697 -4.411 7.423 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.234 -5.486 6.466 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.056 -5.686 6.179 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.937 -6.416 5.738 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.153 -6.701 5.306 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.049 -7.188 5.000 1.00 1.00 N ATOM 0 H HIS A 69 1.156 -2.813 6.575 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.784 -3.069 6.190 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.033 -4.336 8.229 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.635 -4.736 7.872 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.838 -5.155 6.561 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -2.011 -6.529 5.740 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.083 -7.074 4.904 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.551 -2.010 9.014 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.759 -1.052 10.086 1.00 1.00 C ATOM 1036 C ALA A 70 -2.032 -0.250 9.807 1.00 1.00 C ATOM 1037 O ALA A 70 -1.980 0.804 9.176 1.00 1.00 O ATOM 1038 CB ALA A 70 0.476 -0.158 10.218 1.00 1.00 C ATOM 0 H ALA A 70 0.146 -2.728 9.213 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.894 -1.565 11.038 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.320 0.561 11.022 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.347 -0.772 10.444 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.641 0.375 9.282 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.145 -0.780 10.292 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.429 -0.126 10.103 1.00 1.00 C ATOM 1046 C ARG A 71 -4.707 0.842 11.255 1.00 1.00 C ATOM 1047 O ARG A 71 -5.860 1.162 11.538 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.562 -1.151 10.024 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.931 -1.669 11.416 1.00 1.00 C ATOM 1050 CD ARG A 71 -5.211 -2.985 11.720 1.00 1.00 C ATOM 1051 NE ARG A 71 -4.742 -2.992 13.123 1.00 1.00 N ATOM 1052 CZ ARG A 71 -3.701 -3.727 13.569 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.011 -4.522 12.724 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -3.368 -3.657 14.845 1.00 1.00 N ATOM 0 H ARG A 71 -3.185 -1.655 10.815 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.385 0.425 9.163 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.436 -0.697 9.558 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.260 -1.985 9.390 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.667 -0.924 12.167 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -7.009 -1.817 11.479 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -5.884 -3.825 11.548 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.365 -3.111 11.044 1.00 1.00 H new ATOM 0 HE ARG A 71 -5.236 -2.405 13.795 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.275 -4.571 11.740 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -2.226 -5.074 13.070 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -3.895 -3.054 15.477 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -2.584 -4.206 15.198 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.629 1.283 11.888 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.742 2.208 13.002 1.00 1.00 C ATOM 1066 C GLY A 72 -3.334 3.622 12.584 1.00 1.00 C ATOM 1067 O GLY A 72 -3.135 3.890 11.399 1.00 1.00 O ATOM 0 H GLY A 72 -2.674 1.016 11.650 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.768 2.216 13.370 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.111 1.872 13.824 1.00 1.00 H new ATOM 1071 N GLU A 73 -3.221 4.490 13.578 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.841 5.870 13.328 1.00 1.00 C ATOM 1073 C GLU A 73 -1.343 5.962 13.029 1.00 1.00 C ATOM 1074 O GLU A 73 -0.520 5.918 13.943 1.00 1.00 O ATOM 1075 CB GLU A 73 -3.220 6.766 14.509 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.687 7.192 14.426 1.00 1.00 C ATOM 1077 CD GLU A 73 -5.297 7.333 15.821 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -4.681 7.942 16.709 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -6.455 6.784 15.969 1.00 1.00 O ATOM 0 H GLU A 73 -3.386 4.264 14.559 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.389 6.225 12.455 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -3.044 6.234 15.444 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.581 7.649 14.520 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -4.764 8.140 13.894 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -5.251 6.457 13.851 1.00 1.00 H new ATOM 1087 N LEU A 74 -1.035 6.087 11.747 1.00 1.00 N ATOM 1088 CA LEU A 74 0.350 6.186 11.316 1.00 1.00 C ATOM 1089 C LEU A 74 0.641 7.621 10.876 1.00 1.00 C ATOM 1090 O LEU A 74 -0.277 8.422 10.709 1.00 1.00 O ATOM 1091 CB LEU A 74 0.652 5.139 10.241 1.00 1.00 C ATOM 1092 CG LEU A 74 0.419 3.681 10.641 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.641 2.744 9.452 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.285 3.296 11.842 1.00 1.00 C ATOM 0 H LEU A 74 -1.720 6.122 10.992 1.00 1.00 H new ATOM 0 HA LEU A 74 1.024 5.964 12.143 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.039 5.358 9.367 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.693 5.250 9.936 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.622 3.574 10.947 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.469 1.714 9.764 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.052 3.002 8.651 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.665 2.848 9.093 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.100 2.255 12.105 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.337 3.424 11.588 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.036 3.934 12.690 1.00 1.00 H new ATOM 1106 N LYS A 75 1.924 7.903 10.700 1.00 1.00 N ATOM 1107 CA LYS A 75 2.348 9.229 10.282 1.00 1.00 C ATOM 1108 C LYS A 75 1.601 9.620 9.006 1.00 1.00 C ATOM 1109 O LYS A 75 1.369 10.802 8.755 1.00 1.00 O ATOM 1110 CB LYS A 75 3.871 9.285 10.144 1.00 1.00 C ATOM 1111 CG LYS A 75 4.513 9.880 11.399 1.00 1.00 C ATOM 1112 CD LYS A 75 4.638 11.401 11.283 1.00 1.00 C ATOM 1113 CE LYS A 75 3.567 12.104 12.120 1.00 1.00 C ATOM 1114 NZ LYS A 75 4.102 13.356 12.699 1.00 1.00 N ATOM 0 H LYS A 75 2.683 7.236 10.839 1.00 1.00 H new ATOM 0 HA LYS A 75 2.092 9.968 11.041 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.261 8.282 9.972 1.00 1.00 H new ATOM 0 HB3 LYS A 75 4.139 9.885 9.274 1.00 1.00 H new ATOM 0 HG2 LYS A 75 3.914 9.626 12.273 1.00 1.00 H new ATOM 0 HG3 LYS A 75 5.499 9.441 11.550 1.00 1.00 H new ATOM 0 HD2 LYS A 75 5.628 11.715 11.615 1.00 1.00 H new ATOM 0 HD3 LYS A 75 4.542 11.699 10.239 1.00 1.00 H new ATOM 0 HE2 LYS A 75 2.699 12.325 11.499 1.00 1.00 H new ATOM 0 HE3 LYS A 75 3.228 11.443 12.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 3.363 13.821 13.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 4.916 13.137 13.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 4.403 13.992 11.933 1.00 1.00 H new ATOM 1127 N HIS A 76 1.244 8.606 8.232 1.00 1.00 N ATOM 1128 CA HIS A 76 0.527 8.829 6.988 1.00 1.00 C ATOM 1129 C HIS A 76 -0.749 7.985 6.972 1.00 1.00 C ATOM 1130 O HIS A 76 -1.399 7.816 8.003 1.00 1.00 O ATOM 1131 CB HIS A 76 1.431 8.559 5.784 1.00 1.00 C ATOM 1132 CG HIS A 76 2.855 9.029 5.967 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.174 10.321 6.345 1.00 1.00 N ATOM 1134 CD2 HIS A 76 4.038 8.366 5.822 1.00 1.00 C ATOM 1135 CE1 HIS A 76 4.493 10.421 6.419 1.00 1.00 C ATOM 1136 NE2 HIS A 76 5.027 9.209 6.094 1.00 1.00 N ATOM 0 H HIS A 76 1.438 7.627 8.442 1.00 1.00 H new ATOM 0 HA HIS A 76 0.230 9.875 6.919 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.436 7.488 5.579 1.00 1.00 H new ATOM 0 HB3 HIS A 76 1.007 9.049 4.907 1.00 1.00 H new ATOM 0 HD1 HIS A 76 2.507 11.069 6.534 1.00 1.00 H new ATOM 0 HD2 HIS A 76 4.151 7.331 5.535 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.048 11.307 6.689 1.00 1.00 H new ATOM 1144 N THR A 77 -1.070 7.477 5.791 1.00 1.00 N ATOM 1145 CA THR A 77 -2.256 6.654 5.628 1.00 1.00 C ATOM 1146 C THR A 77 -1.891 5.312 4.990 1.00 1.00 C ATOM 1147 O THR A 77 -1.632 5.242 3.790 1.00 1.00 O ATOM 1148 CB THR A 77 -3.278 7.455 4.817 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.377 8.695 5.511 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.687 6.865 4.906 1.00 1.00 C ATOM 0 H THR A 77 -0.529 7.620 4.938 1.00 1.00 H new ATOM 0 HA THR A 77 -2.703 6.409 6.591 1.00 1.00 H new ATOM 0 HB THR A 77 -2.965 7.492 3.774 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.018 9.277 5.052 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.373 7.470 4.313 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.679 5.845 4.522 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.014 6.859 5.946 1.00 1.00 H new ATOM 1158 N SER A 78 -1.883 4.281 5.821 1.00 1.00 N ATOM 1159 CA SER A 78 -1.555 2.945 5.354 1.00 1.00 C ATOM 1160 C SER A 78 -2.674 2.415 4.456 1.00 1.00 C ATOM 1161 O SER A 78 -3.763 2.985 4.413 1.00 1.00 O ATOM 1162 CB SER A 78 -1.320 1.993 6.528 1.00 1.00 C ATOM 1163 OG SER A 78 -1.457 2.650 7.785 1.00 1.00 O ATOM 0 H SER A 78 -2.099 4.344 6.816 1.00 1.00 H new ATOM 0 HA SER A 78 -0.632 3.002 4.777 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.029 1.167 6.472 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.322 1.562 6.451 1.00 1.00 H new ATOM 0 HG SER A 78 -1.936 2.065 8.409 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.368 1.329 3.761 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.334 0.716 2.866 1.00 1.00 C ATOM 1171 C CYS A 79 -4.535 0.259 3.697 1.00 1.00 C ATOM 1172 O CYS A 79 -5.636 0.787 3.546 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.718 -0.438 2.072 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.073 -0.082 1.353 1.00 1.00 S ATOM 0 H CYS A 79 -1.464 0.858 3.800 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.661 1.446 2.125 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.633 -1.306 2.726 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.400 -0.711 1.267 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.283 -0.718 4.556 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.329 -1.252 5.411 1.00 1.00 C ATOM 1181 C LEU A 80 -6.081 -0.095 6.072 1.00 1.00 C ATOM 1182 O LEU A 80 -7.232 -0.249 6.478 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.747 -2.257 6.407 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.808 -3.727 5.989 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.143 -4.357 6.392 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.529 -3.884 4.493 1.00 1.00 C ATOM 0 H LEU A 80 -3.369 -1.154 4.678 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.056 -1.809 4.821 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.705 -1.995 6.590 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.275 -2.147 7.354 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.024 -4.266 6.521 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.160 -5.402 6.083 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.262 -4.296 7.474 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.959 -3.822 5.907 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.579 -4.939 4.222 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.274 -3.328 3.924 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.536 -3.497 4.266 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.399 1.038 6.161 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.988 2.220 6.766 1.00 1.00 C ATOM 1200 C ALA A 81 -7.186 2.674 5.929 1.00 1.00 C ATOM 1201 O ALA A 81 -8.332 2.547 6.357 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.923 3.310 6.899 1.00 1.00 C ATOM 0 H ALA A 81 -4.444 1.162 5.824 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.353 1.996 7.769 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.365 4.197 7.353 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.109 2.948 7.527 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.535 3.562 5.912 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.879 3.195 4.750 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.915 3.669 3.848 1.00 1.00 C ATOM 1210 C CYS A 82 -8.960 2.562 3.693 1.00 1.00 C ATOM 1211 O CYS A 82 -10.126 2.743 4.037 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.338 4.102 2.499 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.681 4.683 1.400 1.00 1.00 S ATOM 0 H CYS A 82 -5.927 3.299 4.398 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.387 4.557 4.268 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.607 4.897 2.645 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.812 3.268 2.035 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.502 1.425 3.168 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.348 0.259 2.944 1.00 1.00 C ATOM 1220 C HIS A 83 -10.335 0.099 4.115 1.00 1.00 C ATOM 1221 O HIS A 83 -11.434 -0.422 3.932 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.454 -0.966 2.700 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.889 -1.128 1.308 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.550 -2.318 0.803 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.615 -0.205 0.327 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.083 -2.144 -0.443 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.101 -0.857 -0.787 1.00 1.00 N ATOM 0 H HIS A 83 -7.531 1.289 2.886 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.963 0.379 2.052 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.621 -0.925 3.402 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.029 -1.860 2.940 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.633 -3.213 1.286 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.774 0.860 0.409 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.738 -2.943 -1.083 1.00 1.00 H new ATOM 1235 N SER A 84 -9.907 0.556 5.283 1.00 1.00 N ATOM 1236 CA SER A 84 -10.739 0.469 6.471 1.00 1.00 C ATOM 1237 C SER A 84 -12.053 1.220 6.247 1.00 1.00 C ATOM 1238 O SER A 84 -13.130 0.681 6.492 1.00 1.00 O ATOM 1239 CB SER A 84 -10.011 1.027 7.696 1.00 1.00 C ATOM 1240 OG SER A 84 -10.536 0.504 8.913 1.00 1.00 O ATOM 0 H SER A 84 -8.995 0.988 5.432 1.00 1.00 H new ATOM 0 HA SER A 84 -10.957 -0.582 6.659 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.950 0.788 7.627 1.00 1.00 H new ATOM 0 HB3 SER A 84 -10.094 2.114 7.703 1.00 1.00 H new ATOM 0 HG SER A 84 -10.044 0.883 9.671 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.919 2.454 5.782 1.00 1.00 N ATOM 1247 CA LYS A 85 -13.082 3.285 5.522 1.00 1.00 C ATOM 1248 C LYS A 85 -13.864 2.706 4.341 1.00 1.00 C ATOM 1249 O LYS A 85 -15.093 2.760 4.319 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.665 4.744 5.326 1.00 1.00 C ATOM 1251 CG LYS A 85 -11.441 5.083 6.179 1.00 1.00 C ATOM 1252 CD LYS A 85 -11.423 6.569 6.546 1.00 1.00 C ATOM 1253 CE LYS A 85 -10.201 6.907 7.403 1.00 1.00 C ATOM 1254 NZ LYS A 85 -9.383 7.952 6.748 1.00 1.00 N ATOM 0 H LYS A 85 -11.023 2.898 5.579 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.752 3.281 6.382 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -12.441 4.924 4.275 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -13.492 5.402 5.593 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -11.448 4.480 7.087 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -10.532 4.828 5.634 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -11.413 7.172 5.638 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -12.334 6.825 7.088 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -10.523 7.251 8.386 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -9.600 6.011 7.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -8.558 8.170 7.342 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -9.061 7.610 5.820 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -9.955 8.811 6.621 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.119 2.164 3.389 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.727 1.575 2.207 1.00 1.00 C ATOM 1269 C VAL A 86 -14.688 0.463 2.634 1.00 1.00 C ATOM 1270 O VAL A 86 -15.828 0.413 2.176 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.640 1.089 1.246 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.251 0.339 0.062 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.771 2.254 0.768 1.00 1.00 C ATOM 0 H VAL A 86 -12.100 2.120 3.412 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.311 2.320 1.666 1.00 1.00 H new ATOM 0 HB VAL A 86 -11.999 0.393 1.788 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.457 0.004 -0.606 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.807 -0.525 0.426 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -13.925 1.002 -0.480 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.006 1.882 0.086 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.394 2.984 0.251 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.293 2.727 1.626 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.191 -0.401 3.507 1.00 1.00 N ATOM 1284 CA VAL A 87 -14.991 -1.509 4.001 1.00 1.00 C ATOM 1285 C VAL A 87 -16.299 -0.969 4.583 1.00 1.00 C ATOM 1286 O VAL A 87 -17.328 -1.640 4.535 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.183 -2.331 5.008 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.099 -3.216 5.854 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.113 -3.165 4.301 1.00 1.00 C ATOM 0 H VAL A 87 -13.245 -0.356 3.885 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.252 -2.184 3.186 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.677 -1.637 5.679 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.499 -3.789 6.561 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.806 -2.591 6.400 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.646 -3.899 5.204 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.553 -3.740 5.039 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.590 -3.846 3.596 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.433 -2.504 3.764 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.215 0.239 5.121 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.379 0.877 5.712 1.00 1.00 C ATOM 1301 C ALA A 88 -18.158 1.617 4.623 1.00 1.00 C ATOM 1302 O ALA A 88 -19.046 2.414 4.922 1.00 1.00 O ATOM 1303 CB ALA A 88 -16.933 1.807 6.843 1.00 1.00 C ATOM 0 H ALA A 88 -15.359 0.793 5.160 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.046 0.132 6.146 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -17.806 2.286 7.286 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.410 1.229 7.605 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.264 2.570 6.444 1.00 1.00 H new ATOM 1309 N GLU A 89 -17.798 1.327 3.381 1.00 1.00 N ATOM 1310 CA GLU A 89 -18.452 1.954 2.246 1.00 1.00 C ATOM 1311 C GLU A 89 -19.022 0.889 1.306 1.00 1.00 C ATOM 1312 O GLU A 89 -20.123 1.046 0.780 1.00 1.00 O ATOM 1313 CB GLU A 89 -17.489 2.882 1.503 1.00 1.00 C ATOM 1314 CG GLU A 89 -18.175 4.197 1.126 1.00 1.00 C ATOM 1315 CD GLU A 89 -17.215 5.121 0.374 1.00 1.00 C ATOM 1316 OE1 GLU A 89 -16.945 4.898 -0.816 1.00 1.00 O ATOM 1317 OE2 GLU A 89 -16.744 6.100 1.069 1.00 1.00 O ATOM 0 H GLU A 89 -17.061 0.666 3.136 1.00 1.00 H new ATOM 0 HA GLU A 89 -19.277 2.562 2.617 1.00 1.00 H new ATOM 0 HB2 GLU A 89 -16.621 3.087 2.129 1.00 1.00 H new ATOM 0 HB3 GLU A 89 -17.123 2.387 0.603 1.00 1.00 H new ATOM 0 HG2 GLU A 89 -19.048 3.991 0.506 1.00 1.00 H new ATOM 0 HG3 GLU A 89 -18.534 4.695 2.027 1.00 1.00 H new ATOM 1325 N LYS A 90 -18.247 -0.170 1.125 1.00 1.00 N ATOM 1326 CA LYS A 90 -18.661 -1.260 0.258 1.00 1.00 C ATOM 1327 C LYS A 90 -18.677 -2.564 1.058 1.00 1.00 C ATOM 1328 O LYS A 90 -17.751 -3.371 1.010 1.00 1.00 O ATOM 1329 CB LYS A 90 -17.780 -1.316 -0.991 1.00 1.00 C ATOM 1330 CG LYS A 90 -18.624 -1.542 -2.247 1.00 1.00 C ATOM 1331 CD LYS A 90 -18.570 -0.323 -3.171 1.00 1.00 C ATOM 1332 CE LYS A 90 -19.808 -0.261 -4.068 1.00 1.00 C ATOM 1333 NZ LYS A 90 -20.489 1.045 -3.921 1.00 1.00 N ATOM 0 H LYS A 90 -17.335 -0.297 1.564 1.00 1.00 H new ATOM 0 HA LYS A 90 -19.676 -1.094 -0.104 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -17.220 -0.386 -1.087 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -17.050 -2.119 -0.890 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -18.263 -2.422 -2.779 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -19.657 -1.743 -1.964 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -18.502 0.587 -2.575 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -17.672 -0.368 -3.787 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -19.519 -0.412 -5.108 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -20.494 -1.067 -3.808 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -21.327 1.071 -4.536 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -20.782 1.174 -2.932 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -19.837 1.809 -4.192 1.00 1.00 H new ATOM 1346 N PRO A 91 -19.766 -2.754 1.807 1.00 1.00 N ATOM 1347 CA PRO A 91 -19.991 -3.916 2.640 1.00 1.00 C ATOM 1348 C PRO A 91 -19.901 -5.177 1.793 1.00 1.00 C ATOM 1349 O PRO A 91 -19.848 -6.269 2.357 1.00 1.00 O ATOM 1350 CB PRO A 91 -21.400 -3.730 3.198 1.00 1.00 C ATOM 1351 CG PRO A 91 -21.686 -2.287 3.096 1.00 1.00 C ATOM 1352 CD PRO A 91 -20.873 -1.826 1.888 1.00 1.00 C ATOM 0 HA PRO A 91 -19.254 -4.016 3.437 1.00 1.00 H new ATOM 0 HB2 PRO A 91 -22.125 -4.313 2.631 1.00 1.00 H new ATOM 0 HB3 PRO A 91 -21.458 -4.068 4.233 1.00 1.00 H new ATOM 0 HG2 PRO A 91 -22.751 -2.102 2.953 1.00 1.00 H new ATOM 0 HG3 PRO A 91 -21.389 -1.758 4.001 1.00 1.00 H new ATOM 0 HD2 PRO A 91 -21.472 -1.846 0.978 1.00 1.00 H new ATOM 0 HD3 PRO A 91 -20.522 -0.802 2.016 1.00 1.00 H new ATOM 1360 N GLU A 92 -19.887 -5.010 0.479 1.00 1.00 N ATOM 1361 CA GLU A 92 -19.805 -6.148 -0.420 1.00 1.00 C ATOM 1362 C GLU A 92 -18.350 -6.592 -0.583 1.00 1.00 C ATOM 1363 O GLU A 92 -17.983 -7.163 -1.609 1.00 1.00 O ATOM 1364 CB GLU A 92 -20.435 -5.824 -1.776 1.00 1.00 C ATOM 1365 CG GLU A 92 -19.706 -4.661 -2.454 1.00 1.00 C ATOM 1366 CD GLU A 92 -19.911 -4.695 -3.970 1.00 1.00 C ATOM 1367 OE1 GLU A 92 -18.951 -4.927 -4.720 1.00 1.00 O ATOM 1368 OE2 GLU A 92 -21.119 -4.471 -4.362 1.00 1.00 O ATOM 0 H GLU A 92 -19.931 -4.103 0.015 1.00 1.00 H new ATOM 0 HA GLU A 92 -20.369 -6.972 0.017 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -20.399 -6.704 -2.418 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -21.486 -5.570 -1.642 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -20.072 -3.715 -2.055 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -18.641 -4.712 -2.226 1.00 1.00 H new ATOM 1376 N LEU A 93 -17.562 -6.314 0.444 1.00 1.00 N ATOM 1377 CA LEU A 93 -16.155 -6.677 0.428 1.00 1.00 C ATOM 1378 C LEU A 93 -15.913 -7.809 1.429 1.00 1.00 C ATOM 1379 O LEU A 93 -15.667 -8.948 1.036 1.00 1.00 O ATOM 1380 CB LEU A 93 -15.280 -5.445 0.669 1.00 1.00 C ATOM 1381 CG LEU A 93 -14.849 -4.674 -0.579 1.00 1.00 C ATOM 1382 CD1 LEU A 93 -15.832 -4.901 -1.730 1.00 1.00 C ATOM 1383 CD2 LEU A 93 -14.664 -3.187 -0.269 1.00 1.00 C ATOM 0 H LEU A 93 -17.871 -5.841 1.293 1.00 1.00 H new ATOM 0 HA LEU A 93 -15.870 -7.054 -0.555 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.821 -4.763 1.325 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -14.384 -5.759 1.205 1.00 1.00 H new ATOM 0 HG LEU A 93 -13.881 -5.059 -0.901 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -15.502 -4.342 -2.606 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -15.871 -5.963 -1.971 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -16.824 -4.560 -1.434 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -14.357 -2.662 -1.174 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -15.605 -2.771 0.091 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -13.898 -3.068 0.497 1.00 1.00 H new ATOM 1395 N LYS A 94 -15.992 -7.456 2.704 1.00 1.00 N ATOM 1396 CA LYS A 94 -15.785 -8.427 3.764 1.00 1.00 C ATOM 1397 C LYS A 94 -14.751 -9.459 3.309 1.00 1.00 C ATOM 1398 O LYS A 94 -15.106 -10.484 2.728 1.00 1.00 O ATOM 1399 CB LYS A 94 -17.118 -9.041 4.196 1.00 1.00 C ATOM 1400 CG LYS A 94 -17.151 -9.272 5.708 1.00 1.00 C ATOM 1401 CD LYS A 94 -17.305 -7.950 6.462 1.00 1.00 C ATOM 1402 CE LYS A 94 -17.699 -8.193 7.920 1.00 1.00 C ATOM 1403 NZ LYS A 94 -16.627 -8.924 8.632 1.00 1.00 N ATOM 0 H LYS A 94 -16.197 -6.510 3.026 1.00 1.00 H new ATOM 0 HA LYS A 94 -15.382 -7.941 4.653 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -17.937 -8.382 3.907 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -17.272 -9.987 3.677 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -17.977 -9.937 5.960 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -16.234 -9.770 6.023 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -16.369 -7.394 6.423 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -18.062 -7.335 5.975 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -17.889 -7.241 8.415 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -18.626 -8.764 7.962 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -16.857 -8.977 9.645 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -16.546 -9.886 8.245 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -15.724 -8.424 8.507 1.00 1.00 H new ATOM 1416 N LYS A 95 -13.493 -9.154 3.591 1.00 1.00 N ATOM 1417 CA LYS A 95 -12.406 -10.042 3.218 1.00 1.00 C ATOM 1418 C LYS A 95 -12.057 -9.823 1.744 1.00 1.00 C ATOM 1419 O LYS A 95 -11.680 -10.763 1.046 1.00 1.00 O ATOM 1420 CB LYS A 95 -12.758 -11.492 3.557 1.00 1.00 C ATOM 1421 CG LYS A 95 -11.504 -12.291 3.918 1.00 1.00 C ATOM 1422 CD LYS A 95 -11.679 -13.771 3.574 1.00 1.00 C ATOM 1423 CE LYS A 95 -10.781 -14.647 4.450 1.00 1.00 C ATOM 1424 NZ LYS A 95 -11.468 -14.991 5.715 1.00 1.00 N ATOM 0 H LYS A 95 -13.202 -8.304 4.074 1.00 1.00 H new ATOM 0 HA LYS A 95 -11.511 -9.812 3.796 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -13.460 -11.514 4.391 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -13.258 -11.957 2.707 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -10.645 -11.888 3.381 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -11.294 -12.184 4.982 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -12.721 -14.059 3.712 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -11.440 -13.935 2.523 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -10.517 -15.558 3.913 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -9.850 -14.123 4.666 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -10.845 -15.586 6.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -11.698 -14.119 6.233 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -12.344 -15.510 5.504 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.193 -8.577 1.316 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.897 -8.223 -0.062 1.00 1.00 C ATOM 1439 C ASP A 96 -10.750 -7.210 -0.088 1.00 1.00 C ATOM 1440 O ASP A 96 -9.762 -7.404 -0.794 1.00 1.00 O ATOM 1441 CB ASP A 96 -13.110 -7.581 -0.739 1.00 1.00 C ATOM 1442 CG ASP A 96 -13.848 -8.482 -1.731 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -13.663 -9.708 -1.741 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -14.653 -7.867 -2.530 1.00 1.00 O ATOM 0 H ASP A 96 -12.504 -7.800 1.899 1.00 1.00 H new ATOM 0 HA ASP A 96 -11.628 -9.135 -0.594 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.812 -7.263 0.032 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.782 -6.682 -1.262 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.920 -6.152 0.690 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.912 -5.108 0.766 1.00 1.00 C ATOM 1452 C LEU A 97 -9.237 -5.154 2.138 1.00 1.00 C ATOM 1453 O LEU A 97 -8.386 -4.321 2.444 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.523 -3.747 0.426 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.163 -3.626 -0.958 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.407 -2.161 -1.324 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.326 -4.349 -2.015 1.00 1.00 C ATOM 0 H LEU A 97 -11.741 -5.995 1.274 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.133 -5.276 0.022 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.279 -3.513 1.176 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.744 -2.990 0.512 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.136 -4.116 -0.927 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -11.863 -2.104 -2.313 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.074 -1.709 -0.590 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.458 -1.625 -1.330 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -10.804 -4.247 -2.989 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.329 -3.910 -2.052 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.248 -5.405 -1.758 1.00 1.00 H new ATOM 1469 N THR A 98 -9.644 -6.137 2.929 1.00 1.00 N ATOM 1470 CA THR A 98 -9.090 -6.302 4.262 1.00 1.00 C ATOM 1471 C THR A 98 -9.054 -7.783 4.644 1.00 1.00 C ATOM 1472 O THR A 98 -9.324 -8.139 5.790 1.00 1.00 O ATOM 1473 CB THR A 98 -9.913 -5.446 5.226 1.00 1.00 C ATOM 1474 OG1 THR A 98 -11.085 -6.220 5.464 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.438 -4.167 4.571 1.00 1.00 C ATOM 0 H THR A 98 -10.350 -6.826 2.672 1.00 1.00 H new ATOM 0 HA THR A 98 -8.055 -5.962 4.305 1.00 1.00 H new ATOM 0 HB THR A 98 -9.303 -5.187 6.092 1.00 1.00 H new ATOM 0 HG1 THR A 98 -10.853 -7.010 5.995 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.015 -3.596 5.298 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.598 -3.566 4.222 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.075 -4.426 3.725 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.717 -8.607 3.662 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.642 -10.041 3.882 1.00 1.00 C ATOM 1485 C GLY A 99 -7.188 -10.510 3.951 1.00 1.00 C ATOM 1486 O GLY A 99 -6.384 -10.184 3.078 1.00 1.00 O ATOM 0 H GLY A 99 -8.493 -8.309 2.713 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.155 -10.298 4.809 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.158 -10.563 3.077 1.00 1.00 H new ATOM 1490 N CYS A 100 -6.893 -11.268 4.997 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.549 -11.785 5.191 1.00 1.00 C ATOM 1492 C CYS A 100 -5.286 -12.853 4.128 1.00 1.00 C ATOM 1493 O CYS A 100 -4.150 -13.037 3.695 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.352 -12.330 6.608 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.577 -11.097 7.942 1.00 1.00 S ATOM 0 H CYS A 100 -7.562 -11.536 5.719 1.00 1.00 H new ATOM 0 HA CYS A 100 -4.826 -10.977 5.079 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -6.053 -13.149 6.768 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.349 -12.749 6.685 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.357 -13.530 3.737 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.256 -14.575 2.733 1.00 1.00 C ATOM 1502 C ALA A 101 -7.513 -14.560 1.861 1.00 1.00 C ATOM 1503 O ALA A 101 -8.476 -13.857 2.164 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.039 -15.925 3.420 1.00 1.00 C ATOM 0 H ALA A 101 -7.298 -13.375 4.098 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.400 -14.400 2.082 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -5.963 -16.709 2.666 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.119 -15.893 4.004 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.880 -16.137 4.080 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.464 -15.346 0.795 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.587 -15.432 -0.123 1.00 1.00 C ATOM 1512 C LYS A 102 -9.175 -14.036 -0.336 1.00 1.00 C ATOM 1513 O LYS A 102 -10.390 -13.853 -0.275 1.00 1.00 O ATOM 1514 CB LYS A 102 -9.607 -16.459 0.373 1.00 1.00 C ATOM 1515 CG LYS A 102 -9.279 -17.857 -0.155 1.00 1.00 C ATOM 1516 CD LYS A 102 -10.556 -18.643 -0.459 1.00 1.00 C ATOM 1517 CE LYS A 102 -10.389 -19.497 -1.717 1.00 1.00 C ATOM 1518 NZ LYS A 102 -11.684 -20.090 -2.117 1.00 1.00 N ATOM 0 H LYS A 102 -6.664 -15.929 0.547 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.255 -15.791 -1.097 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -9.616 -16.471 1.463 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -10.607 -16.169 0.049 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -8.674 -17.776 -1.058 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -8.682 -18.396 0.581 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -10.804 -19.282 0.388 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -11.389 -17.953 -0.592 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -9.996 -18.885 -2.529 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -9.662 -20.288 -1.533 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -11.552 -20.666 -2.973 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -12.044 -20.690 -1.347 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -12.368 -19.331 -2.313 1.00 1.00 H new ATOM 1531 N SER A 103 -8.285 -13.085 -0.582 1.00 1.00 N ATOM 1532 CA SER A 103 -8.700 -11.711 -0.805 1.00 1.00 C ATOM 1533 C SER A 103 -8.116 -11.195 -2.122 1.00 1.00 C ATOM 1534 O SER A 103 -7.580 -11.969 -2.913 1.00 1.00 O ATOM 1535 CB SER A 103 -8.270 -10.811 0.355 1.00 1.00 C ATOM 1536 OG SER A 103 -9.376 -10.128 0.939 1.00 1.00 O ATOM 0 H SER A 103 -7.278 -13.240 -0.632 1.00 1.00 H new ATOM 0 HA SER A 103 -9.788 -11.688 -0.864 1.00 1.00 H new ATOM 0 HB2 SER A 103 -7.773 -11.413 1.116 1.00 1.00 H new ATOM 0 HB3 SER A 103 -7.542 -10.083 -0.002 1.00 1.00 H new ATOM 0 HG SER A 103 -10.121 -10.753 1.057 1.00 1.00 H new ATOM 1542 N LYS A 104 -8.240 -9.890 -2.316 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.731 -9.261 -3.523 1.00 1.00 C ATOM 1544 C LYS A 104 -6.260 -8.892 -3.319 1.00 1.00 C ATOM 1545 O LYS A 104 -5.685 -8.153 -4.117 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.612 -8.076 -3.922 1.00 1.00 C ATOM 1547 CG LYS A 104 -10.090 -8.381 -3.668 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.930 -8.101 -4.915 1.00 1.00 C ATOM 1549 CE LYS A 104 -10.926 -9.304 -5.861 1.00 1.00 C ATOM 1550 NZ LYS A 104 -11.742 -10.405 -5.302 1.00 1.00 N ATOM 0 H LYS A 104 -8.686 -9.251 -1.657 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.773 -9.956 -4.361 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -8.317 -7.192 -3.356 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -8.461 -7.845 -4.976 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -10.204 -9.425 -3.375 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.452 -7.775 -2.838 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -11.954 -7.867 -4.623 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -10.538 -7.226 -5.433 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -11.319 -9.010 -6.834 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -9.903 -9.646 -6.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -12.026 -11.050 -6.067 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -11.183 -10.928 -4.598 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -12.591 -10.012 -4.847 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.692 -9.424 -2.247 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.299 -9.160 -1.928 1.00 1.00 C ATOM 1565 C CYS A 105 -3.595 -10.501 -1.708 1.00 1.00 C ATOM 1566 O CYS A 105 -2.595 -10.801 -2.357 1.00 1.00 O ATOM 1567 CB CYS A 105 -4.161 -8.237 -0.716 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.597 -6.581 -1.252 1.00 1.00 S ATOM 0 H CYS A 105 -6.171 -10.037 -1.588 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.826 -8.634 -2.757 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -5.118 -8.155 -0.200 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.451 -8.660 -0.005 1.00 1.00 H new ATOM 1573 N HIS A 106 -4.148 -11.282 -0.780 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.617 -12.595 -0.432 1.00 1.00 C ATOM 1575 C HIS A 106 -4.581 -13.693 -0.919 1.00 1.00 C ATOM 1576 O HIS A 106 -5.327 -14.288 -0.146 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.329 -12.632 1.076 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.253 -11.701 1.585 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.992 -11.750 1.145 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.293 -10.691 2.516 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.275 -10.808 1.777 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -1.030 -10.124 2.635 1.00 1.00 N ATOM 0 H HIS A 106 -4.978 -11.019 -0.249 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.670 -12.788 -0.936 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.254 -12.404 1.605 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -3.052 -13.651 1.344 1.00 1.00 H new ATOM 0 HD1 HIS A 106 -0.633 -12.398 0.443 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.169 -10.386 3.069 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.777 -10.628 1.612 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.544 -13.945 -2.230 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.363 -14.936 -2.894 1.00 1.00 C ATOM 1592 C PRO A 107 -4.854 -16.330 -2.553 1.00 1.00 C ATOM 1593 O PRO A 107 -4.214 -16.524 -1.523 1.00 1.00 O ATOM 1594 CB PRO A 107 -5.202 -14.643 -4.384 1.00 1.00 C ATOM 1595 CG PRO A 107 -3.875 -14.000 -4.492 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.679 -13.263 -3.169 1.00 1.00 C ATOM 0 HA PRO A 107 -6.409 -14.896 -2.589 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -5.250 -15.557 -4.976 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -5.992 -13.986 -4.747 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.091 -14.740 -4.651 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -3.839 -13.311 -5.336 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.638 -13.301 -2.846 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -3.947 -12.210 -3.260 1.00 1.00 H new TER 1604 PRO A 107 HETATM 1605 CHA HEM A 233 4.570 2.949 -7.707 1.00 1.00 C HETATM 1606 CHB HEM A 233 2.926 6.911 -10.014 1.00 1.00 C HETATM 1607 CHC HEM A 233 -0.935 7.046 -7.049 1.00 1.00 C HETATM 1608 CHD HEM A 233 0.574 2.911 -4.923 1.00 1.00 C HETATM 1609 C1A HEM A 233 4.456 4.027 -8.578 1.00 1.00 C HETATM 1610 C2A HEM A 233 5.432 4.362 -9.588 1.00 1.00 C HETATM 1611 C3A HEM A 233 4.980 5.460 -10.229 1.00 1.00 C HETATM 1612 C4A HEM A 233 3.718 5.816 -9.623 1.00 1.00 C HETATM 1613 CMA HEM A 233 5.629 6.202 -11.361 1.00 1.00 C HETATM 1614 CAA HEM A 233 6.701 3.601 -9.841 1.00 1.00 C HETATM 1615 CBA HEM A 233 6.953 3.286 -11.313 1.00 1.00 C HETATM 1616 CGA HEM A 233 8.208 3.986 -11.816 1.00 1.00 C HETATM 1617 O1A HEM A 233 8.833 3.431 -12.745 1.00 1.00 O HETATM 1618 O2A HEM A 233 8.518 5.063 -11.262 1.00 1.00 O HETATM 1619 C1B HEM A 233 1.753 7.302 -9.379 1.00 1.00 C HETATM 1620 C2B HEM A 233 1.015 8.500 -9.703 1.00 1.00 C HETATM 1621 C3B HEM A 233 -0.056 8.541 -8.882 1.00 1.00 C HETATM 1622 C4B HEM A 233 0.007 7.368 -8.043 1.00 1.00 C HETATM 1623 CMB HEM A 233 1.405 9.489 -10.763 1.00 1.00 C HETATM 1624 CAB HEM A 233 -1.133 9.584 -8.820 1.00 1.00 C HETATM 1625 CBB HEM A 233 -1.860 9.807 -10.143 1.00 1.00 C HETATM 1626 C1C HEM A 233 -0.855 5.921 -6.193 1.00 1.00 C HETATM 1627 C2C HEM A 233 -1.748 5.656 -5.090 1.00 1.00 C HETATM 1628 C3C HEM A 233 -1.324 4.519 -4.499 1.00 1.00 C HETATM 1629 C4C HEM A 233 -0.162 4.069 -5.230 1.00 1.00 C HETATM 1630 CMC HEM A 233 -2.920 6.514 -4.708 1.00 1.00 C HETATM 1631 CAC HEM A 233 -1.913 3.820 -3.309 1.00 1.00 C HETATM 1632 CBC HEM A 233 -3.410 3.551 -3.426 1.00 1.00 C HETATM 1633 C1D HEM A 233 1.799 2.581 -5.492 1.00 1.00 C HETATM 1634 C2D HEM A 233 2.599 1.446 -5.097 1.00 1.00 C HETATM 1635 C3D HEM A 233 3.708 1.454 -5.866 1.00 1.00 C HETATM 1636 C4D HEM A 233 3.606 2.594 -6.746 1.00 1.00 C HETATM 1637 CMD HEM A 233 2.227 0.465 -4.023 1.00 1.00 C HETATM 1638 CAD HEM A 233 4.854 0.484 -5.846 1.00 1.00 C HETATM 1639 CBD HEM A 233 6.225 1.145 -5.743 1.00 1.00 C HETATM 1640 CGD HEM A 233 7.177 0.601 -6.798 1.00 1.00 C HETATM 1641 O1D HEM A 233 7.489 1.371 -7.732 1.00 1.00 O HETATM 1642 O2D HEM A 233 7.575 -0.575 -6.651 1.00 1.00 O HETATM 1643 NA HEM A 233 3.406 4.928 -8.609 1.00 1.00 N HETATM 1644 NB HEM A 233 1.124 6.613 -8.356 1.00 1.00 N HETATM 1645 NC HEM A 233 0.117 4.939 -6.270 1.00 1.00 N HETATM 1646 ND HEM A 233 2.428 3.280 -6.508 1.00 1.00 N HETATM 1647 FE HEM A 233 1.697 4.997 -7.372 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 6.712 6.107 -11.285 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 5.353 7.255 -11.311 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 5.294 5.784 -12.310 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 2.490 9.500 -10.869 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 1.058 10.483 -10.479 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 0.951 9.204 -11.712 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -2.715 7.551 -4.975 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -3.088 6.443 -3.633 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -3.809 6.172 -5.237 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 2.652 -0.511 -4.259 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 1.142 0.384 -3.964 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 2.617 0.809 -3.065 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -2.661 10.544 -10.207 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -1.578 9.230 -11.024 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -3.938 3.048 -2.616 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -3.951 3.862 -4.319 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 6.095 3.600 -11.907 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 7.056 2.209 -11.445 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 6.670 2.667 -9.280 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 7.541 4.177 -9.454 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 6.641 0.973 -4.750 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 6.122 2.223 -5.863 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 4.821 -0.121 -6.752 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 4.726 -0.196 -5.004 1.00 1.00 H new HETATM 0 HHA HEM A 233 5.461 2.342 -7.773 1.00 1.00 H new HETATM 0 HHB HEM A 233 3.252 7.488 -10.867 1.00 1.00 H new HETATM 0 HHC HEM A 233 -1.782 7.706 -6.930 1.00 1.00 H new HETATM 0 HHD HEM A 233 0.159 2.230 -4.194 1.00 1.00 H new HETATM 0 HAB HEM A 233 -1.375 10.134 -7.910 1.00 1.00 H new HETATM 0 HAC HEM A 233 -1.324 3.530 -2.439 1.00 1.00 H new HETATM 1648 CHA HEM A 251 7.187 6.766 6.861 1.00 1.00 C HETATM 1649 CHB HEM A 251 4.417 4.281 3.718 1.00 1.00 C HETATM 1650 CHC HEM A 251 7.734 4.981 0.221 1.00 1.00 C HETATM 1651 CHD HEM A 251 10.580 7.354 3.416 1.00 1.00 C HETATM 1652 C1A HEM A 251 6.149 6.030 6.299 1.00 1.00 C HETATM 1653 C2A HEM A 251 4.964 5.621 7.015 1.00 1.00 C HETATM 1654 C3A HEM A 251 4.194 4.932 6.146 1.00 1.00 C HETATM 1655 C4A HEM A 251 4.894 4.907 4.884 1.00 1.00 C HETATM 1656 CMA HEM A 251 2.858 4.295 6.399 1.00 1.00 C HETATM 1657 CAA HEM A 251 4.683 5.927 8.457 1.00 1.00 C HETATM 1658 CBA HEM A 251 5.564 5.159 9.438 1.00 1.00 C HETATM 1659 CGA HEM A 251 4.745 4.162 10.245 1.00 1.00 C HETATM 1660 O1A HEM A 251 4.616 3.014 9.767 1.00 1.00 O HETATM 1661 O2A HEM A 251 4.262 4.567 11.325 1.00 1.00 O HETATM 1662 C1B HEM A 251 5.112 4.219 2.515 1.00 1.00 C HETATM 1663 C2B HEM A 251 4.695 3.434 1.377 1.00 1.00 C HETATM 1664 C3B HEM A 251 5.613 3.626 0.406 1.00 1.00 C HETATM 1665 C4B HEM A 251 6.606 4.532 0.933 1.00 1.00 C HETATM 1666 CMB HEM A 251 3.463 2.579 1.328 1.00 1.00 C HETATM 1667 CAB HEM A 251 5.637 3.033 -0.973 1.00 1.00 C HETATM 1668 CBB HEM A 251 4.346 3.239 -1.760 1.00 1.00 C HETATM 1669 C1C HEM A 251 8.824 5.683 0.800 1.00 1.00 C HETATM 1670 C2C HEM A 251 10.114 5.857 0.176 1.00 1.00 C HETATM 1671 C3C HEM A 251 10.905 6.491 1.067 1.00 1.00 C HETATM 1672 C4C HEM A 251 10.112 6.715 2.253 1.00 1.00 C HETATM 1673 CMC HEM A 251 10.466 5.401 -1.211 1.00 1.00 C HETATM 1674 CAC HEM A 251 12.339 6.903 0.902 1.00 1.00 C HETATM 1675 CBC HEM A 251 12.542 8.072 -0.058 1.00 1.00 C HETATM 1676 C1D HEM A 251 9.903 7.374 4.631 1.00 1.00 C HETATM 1677 C2D HEM A 251 10.440 7.930 5.851 1.00 1.00 C HETATM 1678 C3D HEM A 251 9.502 7.769 6.807 1.00 1.00 C HETATM 1679 C4D HEM A 251 8.374 7.111 6.190 1.00 1.00 C HETATM 1680 CMD HEM A 251 11.796 8.561 5.982 1.00 1.00 C HETATM 1681 CAD HEM A 251 9.573 8.178 8.250 1.00 1.00 C HETATM 1682 CBD HEM A 251 10.456 9.396 8.507 1.00 1.00 C HETATM 1683 CGD HEM A 251 11.766 8.993 9.170 1.00 1.00 C HETATM 1684 O1D HEM A 251 12.101 7.792 9.082 1.00 1.00 O HETATM 1685 O2D HEM A 251 12.408 9.894 9.752 1.00 1.00 O HETATM 1686 NA HEM A 251 6.096 5.586 4.989 1.00 1.00 N HETATM 1687 NB HEM A 251 6.288 4.891 2.231 1.00 1.00 N HETATM 1688 NC HEM A 251 8.834 6.215 2.078 1.00 1.00 N HETATM 1689 ND HEM A 251 8.631 6.873 4.851 1.00 1.00 N HETATM 1690 FE HEM A 251 7.464 5.840 3.571 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 2.794 3.986 7.442 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 2.743 3.423 5.755 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 2.066 5.012 6.183 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 3.238 2.208 2.328 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 3.631 1.736 0.658 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 2.624 3.171 0.963 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 11.223 6.063 -1.630 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 9.575 5.425 -1.839 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 10.855 4.384 -1.172 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 12.482 8.100 5.272 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 12.170 8.414 6.995 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 11.722 9.628 5.774 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 4.257 2.848 -2.773 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 3.513 3.778 -1.309 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 13.546 8.451 -0.250 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 11.683 8.528 -0.551 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.058 5.858 10.112 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.348 4.633 8.893 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 3.638 5.700 8.669 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 4.818 6.996 8.624 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 9.926 10.106 9.143 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 10.663 9.904 7.565 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 9.948 7.340 8.837 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 8.565 8.391 8.607 1.00 1.00 H new HETATM 0 HHA HEM A 251 7.074 7.095 7.883 1.00 1.00 H new HETATM 0 HHB HEM A 251 3.443 3.816 3.760 1.00 1.00 H new HETATM 0 HHC HEM A 251 7.773 4.778 -0.839 1.00 1.00 H new HETATM 0 HHD HEM A 251 11.530 7.864 3.362 1.00 1.00 H new HETATM 0 HAB HEM A 251 6.500 2.503 -1.376 1.00 1.00 H new HETATM 0 HAC HEM A 251 13.162 6.411 1.421 1.00 1.00 H new HETATM 1691 CHA HEM A 282 -9.023 -1.681 -4.219 1.00 1.00 C HETATM 1692 CHB HEM A 282 -4.432 -2.735 -2.979 1.00 1.00 C HETATM 1693 CHC HEM A 282 -4.038 1.584 -0.762 1.00 1.00 C HETATM 1694 CHD HEM A 282 -8.668 2.595 -1.915 1.00 1.00 C HETATM 1695 C1A HEM A 282 -7.799 -2.327 -4.083 1.00 1.00 C HETATM 1696 C2A HEM A 282 -7.496 -3.620 -4.650 1.00 1.00 C HETATM 1697 C3A HEM A 282 -6.223 -3.915 -4.308 1.00 1.00 C HETATM 1698 C4A HEM A 282 -5.727 -2.808 -3.525 1.00 1.00 C HETATM 1699 CMA HEM A 282 -5.436 -5.145 -4.653 1.00 1.00 C HETATM 1700 CAA HEM A 282 -8.449 -4.446 -5.463 1.00 1.00 C HETATM 1701 CBA HEM A 282 -8.898 -3.779 -6.760 1.00 1.00 C HETATM 1702 CGA HEM A 282 -9.285 -4.817 -7.805 1.00 1.00 C HETATM 1703 O1A HEM A 282 -10.471 -4.813 -8.197 1.00 1.00 O HETATM 1704 O2A HEM A 282 -8.385 -5.594 -8.192 1.00 1.00 O HETATM 1705 C1B HEM A 282 -3.933 -1.643 -2.277 1.00 1.00 C HETATM 1706 C2B HEM A 282 -2.588 -1.557 -1.758 1.00 1.00 C HETATM 1707 C3B HEM A 282 -2.476 -0.360 -1.143 1.00 1.00 C HETATM 1708 C4B HEM A 282 -3.750 0.306 -1.275 1.00 1.00 C HETATM 1709 CMB HEM A 282 -1.543 -2.624 -1.901 1.00 1.00 C HETATM 1710 CAB HEM A 282 -1.276 0.210 -0.444 1.00 1.00 C HETATM 1711 CBB HEM A 282 0.036 0.007 -1.196 1.00 1.00 C HETATM 1712 C1C HEM A 282 -5.279 2.224 -0.869 1.00 1.00 C HETATM 1713 C2C HEM A 282 -5.614 3.472 -0.223 1.00 1.00 C HETATM 1714 C3C HEM A 282 -6.898 3.748 -0.535 1.00 1.00 C HETATM 1715 C4C HEM A 282 -7.371 2.675 -1.378 1.00 1.00 C HETATM 1716 CMC HEM A 282 -4.676 4.277 0.628 1.00 1.00 C HETATM 1717 CAC HEM A 282 -7.718 4.932 -0.112 1.00 1.00 C HETATM 1718 CBC HEM A 282 -6.896 6.187 0.171 1.00 1.00 C HETATM 1719 C1D HEM A 282 -9.146 1.527 -2.668 1.00 1.00 C HETATM 1720 C2D HEM A 282 -10.451 1.488 -3.283 1.00 1.00 C HETATM 1721 C3D HEM A 282 -10.553 0.303 -3.923 1.00 1.00 C HETATM 1722 C4D HEM A 282 -9.311 -0.402 -3.710 1.00 1.00 C HETATM 1723 CMD HEM A 282 -11.473 2.584 -3.200 1.00 1.00 C HETATM 1724 CAD HEM A 282 -11.714 -0.222 -4.715 1.00 1.00 C HETATM 1725 CBD HEM A 282 -11.480 -0.239 -6.223 1.00 1.00 C HETATM 1726 CGD HEM A 282 -12.141 0.957 -6.894 1.00 1.00 C HETATM 1727 O1D HEM A 282 -12.917 0.717 -7.844 1.00 1.00 O HETATM 1728 O2D HEM A 282 -11.858 2.088 -6.444 1.00 1.00 O HETATM 1729 NA HEM A 282 -6.704 -1.837 -3.393 1.00 1.00 N HETATM 1730 NB HEM A 282 -4.639 -0.491 -1.973 1.00 1.00 N HETATM 1731 NC HEM A 282 -6.367 1.743 -1.576 1.00 1.00 N HETATM 1732 ND HEM A 282 -8.453 0.360 -2.937 1.00 1.00 N HETATM 1733 FE HEM A 282 -6.548 0.011 -2.394 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -6.113 -5.994 -4.754 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -4.714 -5.349 -3.862 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -4.909 -4.988 -5.594 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -2.024 -3.601 -1.944 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.868 -2.589 -1.046 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -0.976 -2.458 -2.817 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 -3.966 3.610 1.117 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 -5.245 4.819 1.384 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 -4.135 4.987 0.002 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -11.356 3.120 -2.258 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -12.473 2.154 -3.251 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -11.333 3.276 -4.030 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 0.969 0.383 -0.776 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 0.040 -0.514 -2.153 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 -7.393 7.105 0.485 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 -5.812 6.165 0.059 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -8.095 -3.151 -7.147 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -9.747 -3.125 -6.561 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -9.328 -4.669 -4.858 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -7.976 -5.399 -5.701 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -11.877 -1.162 -6.645 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -10.410 -0.229 -6.428 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -12.592 0.387 -4.501 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -11.940 -1.235 -4.381 1.00 1.00 H new HETATM 0 HHA HEM A 282 -9.807 -2.198 -4.753 1.00 1.00 H new HETATM 0 HHB HEM A 282 -3.781 -3.586 -3.114 1.00 1.00 H new HETATM 0 HHC HEM A 282 -3.246 2.109 -0.249 1.00 1.00 H new HETATM 0 HHD HEM A 282 -9.340 3.420 -1.730 1.00 1.00 H new HETATM 0 HAB HEM A 282 -1.337 0.723 0.516 1.00 1.00 H new HETATM 0 HAC HEM A 282 -8.803 4.899 -0.016 1.00 1.00 H new HETATM 1734 CHA HEM A 305 2.800 -9.048 2.958 1.00 1.00 C HETATM 1735 CHB HEM A 305 -0.079 -10.831 6.459 1.00 1.00 C HETATM 1736 CHC HEM A 305 -3.837 -8.281 4.699 1.00 1.00 C HETATM 1737 CHD HEM A 305 -0.920 -6.430 1.216 1.00 1.00 C HETATM 1738 C1A HEM A 305 2.337 -9.731 4.078 1.00 1.00 C HETATM 1739 C2A HEM A 305 3.170 -10.541 4.936 1.00 1.00 C HETATM 1740 C3A HEM A 305 2.375 -11.036 5.908 1.00 1.00 C HETATM 1741 C4A HEM A 305 1.042 -10.538 5.662 1.00 1.00 C HETATM 1742 CMA HEM A 305 2.758 -11.937 7.046 1.00 1.00 C HETATM 1743 CAA HEM A 305 4.642 -10.763 4.744 1.00 1.00 C HETATM 1744 CBA HEM A 305 5.495 -10.331 5.933 1.00 1.00 C HETATM 1745 CGA HEM A 305 6.252 -9.047 5.626 1.00 1.00 C HETATM 1746 O1A HEM A 305 7.317 -8.853 6.251 1.00 1.00 O HETATM 1747 O2A HEM A 305 5.752 -8.283 4.773 1.00 1.00 O HETATM 1748 C1B HEM A 305 -1.331 -10.244 6.306 1.00 1.00 C HETATM 1749 C2B HEM A 305 -2.415 -10.387 7.249 1.00 1.00 C HETATM 1750 C3B HEM A 305 -3.459 -9.682 6.764 1.00 1.00 C HETATM 1751 C4B HEM A 305 -3.030 -9.094 5.516 1.00 1.00 C HETATM 1752 CMB HEM A 305 -2.349 -11.184 8.519 1.00 1.00 C HETATM 1753 CAB HEM A 305 -4.821 -9.512 7.370 1.00 1.00 C HETATM 1754 CBB HEM A 305 -4.858 -8.550 8.554 1.00 1.00 C HETATM 1755 C1C HEM A 305 -3.412 -7.693 3.432 1.00 1.00 C HETATM 1756 C2C HEM A 305 -4.245 -7.028 2.458 1.00 1.00 C HETATM 1757 C3C HEM A 305 -3.422 -6.490 1.533 1.00 1.00 C HETATM 1758 C4C HEM A 305 -2.072 -6.815 1.926 1.00 1.00 C HETATM 1759 CMC HEM A 305 -5.745 -6.973 2.505 1.00 1.00 C HETATM 1760 CAC HEM A 305 -3.795 -5.697 0.315 1.00 1.00 C HETATM 1761 CBC HEM A 305 -5.247 -5.228 0.299 1.00 1.00 C HETATM 1762 C1D HEM A 305 0.346 -6.973 1.413 1.00 1.00 C HETATM 1763 C2D HEM A 305 1.508 -6.625 0.630 1.00 1.00 C HETATM 1764 C3D HEM A 305 2.541 -7.349 1.110 1.00 1.00 C HETATM 1765 C4D HEM A 305 2.029 -8.152 2.195 1.00 1.00 C HETATM 1766 CMD HEM A 305 1.519 -5.635 -0.499 1.00 1.00 C HETATM 1767 CAD HEM A 305 3.967 -7.351 0.640 1.00 1.00 C HETATM 1768 CBD HEM A 305 4.985 -7.080 1.743 1.00 1.00 C HETATM 1769 CGD HEM A 305 5.942 -5.966 1.343 1.00 1.00 C HETATM 1770 O1D HEM A 305 5.470 -5.029 0.664 1.00 1.00 O HETATM 1771 O2D HEM A 305 7.128 -6.072 1.725 1.00 1.00 O HETATM 1772 NA HEM A 305 1.031 -9.735 4.534 1.00 1.00 N HETATM 1773 NB HEM A 305 -1.720 -9.446 5.244 1.00 1.00 N HETATM 1774 NC HEM A 305 -2.077 -7.555 3.096 1.00 1.00 N HETATM 1775 ND HEM A 305 0.677 -7.913 2.372 1.00 1.00 N HETATM 1776 FE HEM A 305 -0.511 -8.692 3.762 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 3.594 -12.568 6.745 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 1.908 -12.564 7.315 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 3.050 -11.334 7.905 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 -3.010 -10.739 9.263 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 -1.326 -11.183 8.896 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 -2.662 -12.209 8.322 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 -6.127 -7.870 2.993 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 -6.139 -6.916 1.490 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 -6.059 -6.093 3.066 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.542 -5.624 -0.983 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 2.280 -5.920 -1.225 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 1.743 -4.642 -0.110 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 -5.799 -8.354 9.068 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 -3.943 -8.058 8.886 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 -5.622 -4.644 -0.541 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 -5.909 -5.477 1.128 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 6.201 -11.122 6.184 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 4.859 -10.182 6.806 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 4.969 -10.218 3.858 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 4.817 -11.821 4.550 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 5.548 -7.989 1.954 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 4.466 -6.806 2.662 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 4.083 -6.598 -0.140 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 4.188 -8.317 0.186 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.822 -9.217 2.653 1.00 1.00 H new HETATM 0 HHB HEM A 305 0.040 -11.563 7.244 1.00 1.00 H new HETATM 0 HHC HEM A 305 -4.844 -8.077 5.033 1.00 1.00 H new HETATM 0 HHD HEM A 305 -1.026 -5.660 0.466 1.00 1.00 H new HETATM 0 HAB HEM A 305 -5.705 -10.029 6.998 1.00 1.00 H new HETATM 0 HAC HEM A 305 -3.091 -5.476 -0.487 1.00 1.00 H new