USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 796 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 22 HIS HE2 : A 22 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 25 HIS HE2 : A 25 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 233 HEMFE :(H bumps) USER MOD NoAdj-H: A 35 HIS HE2 : A 35 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 52 HIS HE2 : A 52 HIS NE2 : A 251 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 282 HEMFE :(H bumps) USER MOD NoAdj-H: A 106 HIS HE2 : A 106 HIS NE2 : A 305 HEMFE :(H bumps) USER MOD Set 1.1: A 14 SER OG : rot 180:sc= -0.391 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.371 K(o=-0.76,f=-3.1!) USER MOD Single : A 1 ALA N :NH3+ 144:sc= 0.0039 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0251) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -161:sc= -0.0105 (180deg=-0.212) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -170:sc= -0.0395 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -160:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -160:sc= -0.419 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= -4.65! C(o=-4.7!,f=-4.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 138:sc= -4.18! USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot -71:sc= 0.496 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -151:sc= 1.58 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 233 HEM CMA :methyl 150:sc= -0.238 (180deg=-0.238) USER MOD Single : A 233 HEM CMB :methyl -30:sc= -3.79! (180deg=-6.31!) USER MOD Single : A 233 HEM CMC :methyl -30:sc= -4.65! (180deg=-5.86!) USER MOD Single : A 233 HEM CMD :methyl 150:sc= -3.87! (180deg=-3.87!) USER MOD Single : A 251 HEM CMA :methyl 150:sc= -0.254 (180deg=-0.254) USER MOD Single : A 251 HEM CMB :methyl -30:sc= -1.29 (180deg=-3.42!) USER MOD Single : A 251 HEM CMC :methyl 150:sc= -1.5 (180deg=-1.5) USER MOD Single : A 251 HEM CMD :methyl -30:sc= -0.166 (180deg=-0.376) USER MOD Single : A 282 HEM CMA :methyl -30:sc= -0.105 (180deg=-0.333) USER MOD Single : A 282 HEM CMB :methyl -30:sc= -1.23 (180deg=-3.9!) USER MOD Single : A 282 HEM CMC :methyl -30:sc= -7.81! (180deg=-8.78!) USER MOD Single : A 282 HEM CMD :methyl 150:sc= -0.165 (180deg=-0.165) USER MOD Single : A 305 HEM CMA :methyl -30:sc= -0.266 (180deg=-0.285) USER MOD Single : A 305 HEM CMB :methyl 150:sc= -0.185 (180deg=-0.185) USER MOD Single : A 305 HEM CMC :methyl -30:sc= -8.08! (180deg=-8.76!) USER MOD Single : A 305 HEM CMD :methyl -30:sc= -0.268 (180deg=-0.399) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.852 15.016 -11.991 1.00 1.00 N ATOM 2 CA ALA A 1 3.811 13.735 -11.307 1.00 1.00 C ATOM 3 C ALA A 1 4.114 12.617 -12.306 1.00 1.00 C ATOM 4 O ALA A 1 3.569 12.559 -13.406 1.00 1.00 O ATOM 5 CB ALA A 1 2.448 13.560 -10.633 1.00 1.00 C ATOM 0 H1 ALA A 1 3.126 15.645 -11.594 1.00 1.00 H new ATOM 0 H2 ALA A 1 4.790 15.447 -11.865 1.00 1.00 H new ATOM 0 H3 ALA A 1 3.670 14.874 -13.005 1.00 1.00 H new ATOM 0 HA ALA A 1 4.570 13.693 -10.526 1.00 1.00 H new ATOM 0 HB1 ALA A 1 2.417 12.599 -10.120 1.00 1.00 H new ATOM 0 HB2 ALA A 1 2.293 14.362 -9.911 1.00 1.00 H new ATOM 0 HB3 ALA A 1 1.662 13.594 -11.387 1.00 1.00 H new ATOM 11 N PRO A 2 5.010 11.718 -11.892 1.00 1.00 N ATOM 12 CA PRO A 2 5.444 10.580 -12.673 1.00 1.00 C ATOM 13 C PRO A 2 4.246 9.951 -13.369 1.00 1.00 C ATOM 14 O PRO A 2 3.329 9.500 -12.682 1.00 1.00 O ATOM 15 CB PRO A 2 6.055 9.617 -11.656 1.00 1.00 C ATOM 16 CG PRO A 2 6.592 10.538 -10.599 1.00 1.00 C ATOM 17 CD PRO A 2 5.670 11.755 -10.605 1.00 1.00 C ATOM 0 HA PRO A 2 6.159 10.847 -13.451 1.00 1.00 H new ATOM 0 HB2 PRO A 2 5.311 8.930 -11.253 1.00 1.00 H new ATOM 0 HB3 PRO A 2 6.843 9.008 -12.099 1.00 1.00 H new ATOM 0 HG2 PRO A 2 6.595 10.054 -9.622 1.00 1.00 H new ATOM 0 HG3 PRO A 2 7.621 10.825 -10.816 1.00 1.00 H new ATOM 0 HD2 PRO A 2 4.948 11.707 -9.790 1.00 1.00 H new ATOM 0 HD3 PRO A 2 6.235 12.679 -10.477 1.00 1.00 H new ATOM 25 N ALA A 3 4.270 9.932 -14.693 1.00 1.00 N ATOM 26 CA ALA A 3 3.174 9.356 -15.454 1.00 1.00 C ATOM 27 C ALA A 3 2.702 8.072 -14.768 1.00 1.00 C ATOM 28 O ALA A 3 3.492 7.155 -14.548 1.00 1.00 O ATOM 29 CB ALA A 3 3.625 9.114 -16.896 1.00 1.00 C ATOM 0 H ALA A 3 5.031 10.306 -15.259 1.00 1.00 H new ATOM 0 HA ALA A 3 2.328 10.042 -15.488 1.00 1.00 H new ATOM 0 HB1 ALA A 3 2.803 8.682 -17.467 1.00 1.00 H new ATOM 0 HB2 ALA A 3 3.923 10.060 -17.348 1.00 1.00 H new ATOM 0 HB3 ALA A 3 4.471 8.427 -16.902 1.00 1.00 H new ATOM 35 N VAL A 4 1.417 8.048 -14.448 1.00 1.00 N ATOM 36 CA VAL A 4 0.830 6.892 -13.792 1.00 1.00 C ATOM 37 C VAL A 4 0.878 5.693 -14.741 1.00 1.00 C ATOM 38 O VAL A 4 0.375 5.727 -15.861 1.00 1.00 O ATOM 39 CB VAL A 4 -0.587 7.223 -13.318 1.00 1.00 C ATOM 40 CG1 VAL A 4 -1.552 7.321 -14.501 1.00 1.00 C ATOM 41 CG2 VAL A 4 -1.076 6.196 -12.294 1.00 1.00 C ATOM 0 H VAL A 4 0.765 8.811 -14.631 1.00 1.00 H new ATOM 0 HA VAL A 4 1.402 6.626 -12.903 1.00 1.00 H new ATOM 0 HB VAL A 4 -0.558 8.196 -12.828 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -2.552 7.557 -14.136 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -1.218 8.107 -15.179 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -1.575 6.369 -15.032 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -2.085 6.454 -11.973 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -1.082 5.205 -12.747 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -0.410 6.197 -11.431 1.00 1.00 H new ATOM 51 N PRO A 5 1.505 4.617 -14.259 1.00 1.00 N ATOM 52 CA PRO A 5 1.667 3.375 -14.983 1.00 1.00 C ATOM 53 C PRO A 5 0.326 2.661 -15.078 1.00 1.00 C ATOM 54 O PRO A 5 -0.258 2.353 -14.040 1.00 1.00 O ATOM 55 CB PRO A 5 2.660 2.565 -14.153 1.00 1.00 C ATOM 56 CG PRO A 5 2.525 3.083 -12.785 1.00 1.00 C ATOM 57 CD PRO A 5 2.108 4.543 -12.946 1.00 1.00 C ATOM 0 HA PRO A 5 2.023 3.522 -16.003 1.00 1.00 H new ATOM 0 HB2 PRO A 5 2.433 1.500 -14.196 1.00 1.00 H new ATOM 0 HB3 PRO A 5 3.678 2.689 -14.523 1.00 1.00 H new ATOM 0 HG2 PRO A 5 1.779 2.521 -12.223 1.00 1.00 H new ATOM 0 HG3 PRO A 5 3.465 3.000 -12.239 1.00 1.00 H new ATOM 0 HD2 PRO A 5 1.402 4.840 -12.170 1.00 1.00 H new ATOM 0 HD3 PRO A 5 2.967 5.210 -12.868 1.00 1.00 H new ATOM 65 N ASP A 6 -0.132 2.417 -16.297 1.00 1.00 N ATOM 66 CA ASP A 6 -1.403 1.742 -16.498 1.00 1.00 C ATOM 67 C ASP A 6 -1.193 0.230 -16.406 1.00 1.00 C ATOM 68 O ASP A 6 -2.112 -0.545 -16.665 1.00 1.00 O ATOM 69 CB ASP A 6 -1.981 2.056 -17.879 1.00 1.00 C ATOM 70 CG ASP A 6 -1.317 1.315 -19.042 1.00 1.00 C ATOM 71 OD1 ASP A 6 -1.972 0.557 -19.773 1.00 1.00 O ATOM 72 OD2 ASP A 6 -0.056 1.544 -19.185 1.00 1.00 O ATOM 0 H ASP A 6 0.354 2.675 -17.156 1.00 1.00 H new ATOM 0 HA ASP A 6 -2.094 2.090 -15.730 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -3.044 1.816 -17.874 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -1.897 3.128 -18.056 1.00 1.00 H new ATOM 78 N LYS A 7 0.023 -0.146 -16.037 1.00 1.00 N ATOM 79 CA LYS A 7 0.366 -1.552 -15.908 1.00 1.00 C ATOM 80 C LYS A 7 0.444 -1.919 -14.425 1.00 1.00 C ATOM 81 O LYS A 7 0.732 -1.093 -13.562 1.00 1.00 O ATOM 82 CB LYS A 7 1.645 -1.865 -16.687 1.00 1.00 C ATOM 83 CG LYS A 7 2.599 -0.669 -16.679 1.00 1.00 C ATOM 84 CD LYS A 7 4.025 -1.103 -17.025 1.00 1.00 C ATOM 85 CE LYS A 7 4.838 0.071 -17.573 1.00 1.00 C ATOM 86 NZ LYS A 7 5.400 0.874 -16.464 1.00 1.00 N ATOM 0 H LYS A 7 0.783 0.499 -15.823 1.00 1.00 H new ATOM 0 HA LYS A 7 -0.410 -2.176 -16.351 1.00 1.00 H new ATOM 0 HB2 LYS A 7 2.139 -2.732 -16.248 1.00 1.00 H new ATOM 0 HB3 LYS A 7 1.394 -2.128 -17.715 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.258 0.078 -17.396 1.00 1.00 H new ATOM 0 HG3 LYS A 7 2.587 -0.196 -15.697 1.00 1.00 H new ATOM 0 HD2 LYS A 7 4.512 -1.504 -16.136 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.996 -1.905 -17.762 1.00 1.00 H new ATOM 0 HE2 LYS A 7 5.644 -0.301 -18.206 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.205 0.699 -18.200 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 5.949 1.667 -16.853 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 4.626 1.244 -15.876 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 6.021 0.276 -15.882 1.00 1.00 H new ATOM 99 N PRO A 8 0.176 -3.197 -14.145 1.00 1.00 N ATOM 100 CA PRO A 8 0.193 -3.761 -12.813 1.00 1.00 C ATOM 101 C PRO A 8 1.633 -3.975 -12.367 1.00 1.00 C ATOM 102 O PRO A 8 2.446 -4.416 -13.178 1.00 1.00 O ATOM 103 CB PRO A 8 -0.544 -5.092 -12.942 1.00 1.00 C ATOM 104 CG PRO A 8 -0.073 -5.529 -14.398 1.00 1.00 C ATOM 105 CD PRO A 8 -0.166 -4.195 -15.135 1.00 1.00 C ATOM 0 HA PRO A 8 -0.276 -3.114 -12.072 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -0.248 -5.808 -12.176 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -1.626 -4.978 -12.871 1.00 1.00 H new ATOM 0 HG2 PRO A 8 0.939 -5.935 -14.402 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -0.723 -6.289 -14.833 1.00 1.00 H new ATOM 0 HD2 PRO A 8 0.520 -4.163 -15.981 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -1.168 -4.031 -15.531 1.00 1.00 H new ATOM 113 N VAL A 9 1.918 -3.664 -11.111 1.00 1.00 N ATOM 114 CA VAL A 9 3.263 -3.829 -10.587 1.00 1.00 C ATOM 115 C VAL A 9 3.215 -4.723 -9.346 1.00 1.00 C ATOM 116 O VAL A 9 2.424 -4.485 -8.435 1.00 1.00 O ATOM 117 CB VAL A 9 3.890 -2.460 -10.314 1.00 1.00 C ATOM 118 CG1 VAL A 9 4.097 -1.683 -11.615 1.00 1.00 C ATOM 119 CG2 VAL A 9 3.043 -1.657 -9.324 1.00 1.00 C ATOM 0 H VAL A 9 1.241 -3.299 -10.441 1.00 1.00 H new ATOM 0 HA VAL A 9 3.901 -4.323 -11.320 1.00 1.00 H new ATOM 0 HB VAL A 9 4.868 -2.623 -9.862 1.00 1.00 H new ATOM 0 HG11 VAL A 9 4.544 -0.714 -11.393 1.00 1.00 H new ATOM 0 HG12 VAL A 9 4.759 -2.245 -12.273 1.00 1.00 H new ATOM 0 HG13 VAL A 9 3.136 -1.535 -12.107 1.00 1.00 H new ATOM 0 HG21 VAL A 9 3.511 -0.688 -9.147 1.00 1.00 H new ATOM 0 HG22 VAL A 9 2.045 -1.508 -9.736 1.00 1.00 H new ATOM 0 HG23 VAL A 9 2.969 -2.202 -8.383 1.00 1.00 H new ATOM 129 N GLU A 10 4.072 -5.734 -9.351 1.00 1.00 N ATOM 130 CA GLU A 10 4.138 -6.665 -8.237 1.00 1.00 C ATOM 131 C GLU A 10 4.967 -6.070 -7.097 1.00 1.00 C ATOM 132 O GLU A 10 5.945 -5.365 -7.338 1.00 1.00 O ATOM 133 CB GLU A 10 4.706 -8.014 -8.683 1.00 1.00 C ATOM 134 CG GLU A 10 6.236 -7.991 -8.684 1.00 1.00 C ATOM 135 CD GLU A 10 6.768 -6.983 -9.704 1.00 1.00 C ATOM 136 OE1 GLU A 10 6.580 -7.169 -10.915 1.00 1.00 O ATOM 137 OE2 GLU A 10 7.397 -5.977 -9.199 1.00 1.00 O ATOM 0 H GLU A 10 4.726 -5.929 -10.109 1.00 1.00 H new ATOM 0 HA GLU A 10 3.126 -6.838 -7.872 1.00 1.00 H new ATOM 0 HB2 GLU A 10 4.351 -8.800 -8.017 1.00 1.00 H new ATOM 0 HB3 GLU A 10 4.342 -8.254 -9.682 1.00 1.00 H new ATOM 0 HG2 GLU A 10 6.600 -7.734 -7.689 1.00 1.00 H new ATOM 0 HG3 GLU A 10 6.618 -8.985 -8.916 1.00 1.00 H new ATOM 145 N VAL A 11 4.545 -6.378 -5.879 1.00 1.00 N ATOM 146 CA VAL A 11 5.237 -5.883 -4.701 1.00 1.00 C ATOM 147 C VAL A 11 5.780 -7.067 -3.898 1.00 1.00 C ATOM 148 O VAL A 11 5.325 -7.328 -2.786 1.00 1.00 O ATOM 149 CB VAL A 11 4.304 -4.985 -3.885 1.00 1.00 C ATOM 150 CG1 VAL A 11 5.046 -4.348 -2.708 1.00 1.00 C ATOM 151 CG2 VAL A 11 3.659 -3.917 -4.770 1.00 1.00 C ATOM 0 H VAL A 11 3.733 -6.964 -5.683 1.00 1.00 H new ATOM 0 HA VAL A 11 6.089 -5.268 -4.989 1.00 1.00 H new ATOM 0 HB VAL A 11 3.508 -5.610 -3.480 1.00 1.00 H new ATOM 0 HG11 VAL A 11 4.360 -3.715 -2.145 1.00 1.00 H new ATOM 0 HG12 VAL A 11 5.435 -5.131 -2.057 1.00 1.00 H new ATOM 0 HG13 VAL A 11 5.872 -3.744 -3.083 1.00 1.00 H new ATOM 0 HG21 VAL A 11 3.001 -3.293 -4.166 1.00 1.00 H new ATOM 0 HG22 VAL A 11 4.436 -3.298 -5.218 1.00 1.00 H new ATOM 0 HG23 VAL A 11 3.080 -4.399 -5.558 1.00 1.00 H new ATOM 161 N LYS A 12 6.745 -7.752 -4.494 1.00 1.00 N ATOM 162 CA LYS A 12 7.354 -8.902 -3.849 1.00 1.00 C ATOM 163 C LYS A 12 7.730 -8.535 -2.412 1.00 1.00 C ATOM 164 O LYS A 12 8.731 -7.858 -2.182 1.00 1.00 O ATOM 165 CB LYS A 12 8.530 -9.421 -4.679 1.00 1.00 C ATOM 166 CG LYS A 12 9.412 -8.267 -5.162 1.00 1.00 C ATOM 167 CD LYS A 12 9.436 -8.200 -6.691 1.00 1.00 C ATOM 168 CE LYS A 12 10.654 -7.417 -7.186 1.00 1.00 C ATOM 169 NZ LYS A 12 10.557 -5.997 -6.781 1.00 1.00 N ATOM 0 H LYS A 12 7.120 -7.532 -5.417 1.00 1.00 H new ATOM 0 HA LYS A 12 6.645 -9.728 -3.793 1.00 1.00 H new ATOM 0 HB2 LYS A 12 9.124 -10.112 -4.082 1.00 1.00 H new ATOM 0 HB3 LYS A 12 8.156 -9.981 -5.536 1.00 1.00 H new ATOM 0 HG2 LYS A 12 9.039 -7.326 -4.759 1.00 1.00 H new ATOM 0 HG3 LYS A 12 10.426 -8.396 -4.784 1.00 1.00 H new ATOM 0 HD2 LYS A 12 9.456 -9.209 -7.103 1.00 1.00 H new ATOM 0 HD3 LYS A 12 8.523 -7.726 -7.052 1.00 1.00 H new ATOM 0 HE2 LYS A 12 11.565 -7.856 -6.780 1.00 1.00 H new ATOM 0 HE3 LYS A 12 10.723 -7.488 -8.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 11.347 -5.463 -7.196 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 9.656 -5.601 -7.118 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 10.599 -5.928 -5.744 1.00 1.00 H new ATOM 182 N GLY A 13 6.908 -8.999 -1.482 1.00 1.00 N ATOM 183 CA GLY A 13 7.142 -8.728 -0.074 1.00 1.00 C ATOM 184 C GLY A 13 8.142 -9.724 0.517 1.00 1.00 C ATOM 185 O GLY A 13 9.018 -10.222 -0.189 1.00 1.00 O ATOM 0 H GLY A 13 6.079 -9.561 -1.676 1.00 1.00 H new ATOM 0 HA2 GLY A 13 7.520 -7.713 0.047 1.00 1.00 H new ATOM 0 HA3 GLY A 13 6.201 -8.785 0.472 1.00 1.00 H new ATOM 189 N SER A 14 7.979 -9.983 1.806 1.00 1.00 N ATOM 190 CA SER A 14 8.857 -10.910 2.500 1.00 1.00 C ATOM 191 C SER A 14 8.865 -12.260 1.781 1.00 1.00 C ATOM 192 O SER A 14 9.880 -12.659 1.213 1.00 1.00 O ATOM 193 CB SER A 14 8.429 -11.087 3.958 1.00 1.00 C ATOM 194 OG SER A 14 8.379 -12.460 4.337 1.00 1.00 O ATOM 0 H SER A 14 7.252 -9.567 2.388 1.00 1.00 H new ATOM 0 HA SER A 14 9.865 -10.496 2.494 1.00 1.00 H new ATOM 0 HB2 SER A 14 9.126 -10.557 4.607 1.00 1.00 H new ATOM 0 HB3 SER A 14 7.449 -10.634 4.106 1.00 1.00 H new ATOM 0 HG SER A 14 8.104 -12.531 5.275 1.00 1.00 H new ATOM 200 N GLN A 15 7.721 -12.927 1.830 1.00 1.00 N ATOM 201 CA GLN A 15 7.584 -14.225 1.191 1.00 1.00 C ATOM 202 C GLN A 15 6.186 -14.374 0.588 1.00 1.00 C ATOM 203 O GLN A 15 5.550 -15.417 0.736 1.00 1.00 O ATOM 204 CB GLN A 15 7.879 -15.356 2.178 1.00 1.00 C ATOM 205 CG GLN A 15 9.040 -16.224 1.687 1.00 1.00 C ATOM 206 CD GLN A 15 10.306 -15.960 2.504 1.00 1.00 C ATOM 207 OE1 GLN A 15 10.328 -15.153 3.419 1.00 1.00 O ATOM 208 NE2 GLN A 15 11.355 -16.684 2.125 1.00 1.00 N ATOM 0 H GLN A 15 6.881 -12.593 2.302 1.00 1.00 H new ATOM 0 HA GLN A 15 8.315 -14.291 0.385 1.00 1.00 H new ATOM 0 HB2 GLN A 15 8.121 -14.937 3.155 1.00 1.00 H new ATOM 0 HB3 GLN A 15 6.989 -15.972 2.307 1.00 1.00 H new ATOM 0 HG2 GLN A 15 8.768 -17.277 1.761 1.00 1.00 H new ATOM 0 HG3 GLN A 15 9.233 -16.018 0.634 1.00 1.00 H new ATOM 0 HE21 GLN A 15 11.268 -17.342 1.350 1.00 1.00 H new ATOM 0 HE22 GLN A 15 12.247 -16.582 2.609 1.00 1.00 H new ATOM 217 N LYS A 16 5.749 -13.317 -0.080 1.00 1.00 N ATOM 218 CA LYS A 16 4.438 -13.317 -0.706 1.00 1.00 C ATOM 219 C LYS A 16 4.389 -12.226 -1.778 1.00 1.00 C ATOM 220 O LYS A 16 4.843 -11.106 -1.549 1.00 1.00 O ATOM 221 CB LYS A 16 3.339 -13.191 0.351 1.00 1.00 C ATOM 222 CG LYS A 16 1.952 -13.334 -0.280 1.00 1.00 C ATOM 223 CD LYS A 16 1.681 -14.785 -0.684 1.00 1.00 C ATOM 224 CE LYS A 16 0.179 -15.044 -0.822 1.00 1.00 C ATOM 225 NZ LYS A 16 -0.304 -15.895 0.288 1.00 1.00 N ATOM 0 H LYS A 16 6.280 -12.454 -0.201 1.00 1.00 H new ATOM 0 HA LYS A 16 4.256 -14.267 -1.209 1.00 1.00 H new ATOM 0 HB2 LYS A 16 3.475 -13.956 1.115 1.00 1.00 H new ATOM 0 HB3 LYS A 16 3.418 -12.225 0.849 1.00 1.00 H new ATOM 0 HG2 LYS A 16 1.191 -13.001 0.426 1.00 1.00 H new ATOM 0 HG3 LYS A 16 1.878 -12.689 -1.156 1.00 1.00 H new ATOM 0 HD2 LYS A 16 2.180 -15.002 -1.629 1.00 1.00 H new ATOM 0 HD3 LYS A 16 2.103 -15.459 0.062 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -0.361 -14.097 -0.824 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -0.026 -15.529 -1.776 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -1.325 -16.061 0.179 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 0.199 -16.805 0.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -0.126 -15.417 1.195 1.00 1.00 H new ATOM 238 N THR A 17 3.834 -12.591 -2.924 1.00 1.00 N ATOM 239 CA THR A 17 3.720 -11.656 -4.031 1.00 1.00 C ATOM 240 C THR A 17 2.324 -11.031 -4.059 1.00 1.00 C ATOM 241 O THR A 17 1.320 -11.742 -4.024 1.00 1.00 O ATOM 242 CB THR A 17 4.077 -12.403 -5.318 1.00 1.00 C ATOM 243 OG1 THR A 17 5.377 -12.929 -5.064 1.00 1.00 O ATOM 244 CG2 THR A 17 4.283 -11.458 -6.504 1.00 1.00 C ATOM 0 H THR A 17 3.458 -13.521 -3.110 1.00 1.00 H new ATOM 0 HA THR A 17 4.413 -10.822 -3.918 1.00 1.00 H new ATOM 0 HB THR A 17 3.288 -13.117 -5.555 1.00 1.00 H new ATOM 0 HG1 THR A 17 5.686 -13.431 -5.847 1.00 1.00 H new ATOM 0 HG21 THR A 17 4.534 -12.038 -7.392 1.00 1.00 H new ATOM 0 HG22 THR A 17 3.367 -10.896 -6.685 1.00 1.00 H new ATOM 0 HG23 THR A 17 5.095 -10.766 -6.281 1.00 1.00 H new ATOM 252 N VAL A 18 2.304 -9.708 -4.123 1.00 1.00 N ATOM 253 CA VAL A 18 1.048 -8.979 -4.157 1.00 1.00 C ATOM 254 C VAL A 18 1.126 -7.885 -5.224 1.00 1.00 C ATOM 255 O VAL A 18 2.049 -7.072 -5.218 1.00 1.00 O ATOM 256 CB VAL A 18 0.722 -8.433 -2.765 1.00 1.00 C ATOM 257 CG1 VAL A 18 -0.626 -7.710 -2.761 1.00 1.00 C ATOM 258 CG2 VAL A 18 0.748 -9.550 -1.719 1.00 1.00 C ATOM 0 H VAL A 18 3.138 -9.122 -4.152 1.00 1.00 H new ATOM 0 HA VAL A 18 0.229 -9.643 -4.432 1.00 1.00 H new ATOM 0 HB VAL A 18 1.491 -7.708 -2.501 1.00 1.00 H new ATOM 0 HG11 VAL A 18 -0.833 -7.332 -1.760 1.00 1.00 H new ATOM 0 HG12 VAL A 18 -0.594 -6.878 -3.464 1.00 1.00 H new ATOM 0 HG13 VAL A 18 -1.412 -8.405 -3.056 1.00 1.00 H new ATOM 0 HG21 VAL A 18 0.513 -9.136 -0.738 1.00 1.00 H new ATOM 0 HG22 VAL A 18 0.010 -10.309 -1.979 1.00 1.00 H new ATOM 0 HG23 VAL A 18 1.740 -10.002 -1.694 1.00 1.00 H new ATOM 268 N MET A 19 0.145 -7.900 -6.114 1.00 1.00 N ATOM 269 CA MET A 19 0.091 -6.920 -7.186 1.00 1.00 C ATOM 270 C MET A 19 -0.872 -5.783 -6.840 1.00 1.00 C ATOM 271 O MET A 19 -1.973 -6.025 -6.347 1.00 1.00 O ATOM 272 CB MET A 19 -0.364 -7.601 -8.478 1.00 1.00 C ATOM 273 CG MET A 19 -1.782 -8.157 -8.334 1.00 1.00 C ATOM 274 SD MET A 19 -1.806 -9.887 -8.775 1.00 1.00 S ATOM 275 CE MET A 19 -1.402 -9.770 -10.510 1.00 1.00 C ATOM 0 H MET A 19 -0.619 -8.575 -6.115 1.00 1.00 H new ATOM 0 HA MET A 19 1.087 -6.499 -7.319 1.00 1.00 H new ATOM 0 HB2 MET A 19 -0.331 -6.887 -9.301 1.00 1.00 H new ATOM 0 HB3 MET A 19 0.323 -8.409 -8.729 1.00 1.00 H new ATOM 0 HG2 MET A 19 -2.129 -8.030 -7.309 1.00 1.00 H new ATOM 0 HG3 MET A 19 -2.467 -7.600 -8.974 1.00 1.00 H new ATOM 0 HE1 MET A 19 -1.697 -10.690 -11.015 1.00 1.00 H new ATOM 0 HE2 MET A 19 -1.934 -8.927 -10.951 1.00 1.00 H new ATOM 0 HE3 MET A 19 -0.328 -9.622 -10.624 1.00 1.00 H new ATOM 285 N PHE A 20 -0.423 -4.567 -7.113 1.00 1.00 N ATOM 286 CA PHE A 20 -1.231 -3.391 -6.837 1.00 1.00 C ATOM 287 C PHE A 20 -1.517 -2.608 -8.120 1.00 1.00 C ATOM 288 O PHE A 20 -0.620 -2.086 -8.779 1.00 1.00 O ATOM 289 CB PHE A 20 -0.425 -2.507 -5.883 1.00 1.00 C ATOM 290 CG PHE A 20 -0.949 -1.074 -5.770 1.00 1.00 C ATOM 291 CD1 PHE A 20 -1.965 -0.788 -4.913 1.00 1.00 C ATOM 292 CD2 PHE A 20 -0.399 -0.087 -6.526 1.00 1.00 C ATOM 293 CE1 PHE A 20 -2.452 0.542 -4.807 1.00 1.00 C ATOM 294 CE2 PHE A 20 -0.886 1.243 -6.421 1.00 1.00 C ATOM 295 CZ PHE A 20 -1.902 1.529 -5.564 1.00 1.00 C ATOM 0 H PHE A 20 0.490 -4.370 -7.523 1.00 1.00 H new ATOM 0 HA PHE A 20 -2.186 -3.690 -6.405 1.00 1.00 H new ATOM 0 HB2 PHE A 20 -0.427 -2.963 -4.893 1.00 1.00 H new ATOM 0 HB3 PHE A 20 0.612 -2.478 -6.219 1.00 1.00 H new ATOM 0 HD1 PHE A 20 -2.402 -1.572 -4.313 1.00 1.00 H new ATOM 0 HD2 PHE A 20 0.408 -0.314 -7.206 1.00 1.00 H new ATOM 0 HE1 PHE A 20 -3.259 0.769 -4.126 1.00 1.00 H new ATOM 0 HE2 PHE A 20 -0.449 2.027 -7.022 1.00 1.00 H new ATOM 0 HZ PHE A 20 -2.272 2.540 -5.484 1.00 1.00 H new ATOM 305 N PRO A 21 -2.805 -2.540 -8.465 1.00 1.00 N ATOM 306 CA PRO A 21 -3.300 -1.850 -9.637 1.00 1.00 C ATOM 307 C PRO A 21 -3.507 -0.377 -9.313 1.00 1.00 C ATOM 308 O PRO A 21 -3.995 -0.064 -8.230 1.00 1.00 O ATOM 309 CB PRO A 21 -4.628 -2.532 -9.960 1.00 1.00 C ATOM 310 CG PRO A 21 -5.134 -2.902 -8.557 1.00 1.00 C ATOM 311 CD PRO A 21 -3.884 -3.143 -7.714 1.00 1.00 C ATOM 0 HA PRO A 21 -2.611 -1.896 -10.480 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -5.315 -1.865 -10.481 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -4.495 -3.410 -10.592 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -5.741 -2.100 -8.136 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -5.761 -3.793 -8.590 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -3.980 -2.690 -6.727 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -3.711 -4.208 -7.560 1.00 1.00 H new ATOM 319 N HIS A 22 -3.135 0.498 -10.248 1.00 1.00 N ATOM 320 CA HIS A 22 -3.271 1.940 -10.081 1.00 1.00 C ATOM 321 C HIS A 22 -4.667 2.390 -10.548 1.00 1.00 C ATOM 322 O HIS A 22 -5.214 3.358 -10.021 1.00 1.00 O ATOM 323 CB HIS A 22 -2.108 2.636 -10.804 1.00 1.00 C ATOM 324 CG HIS A 22 -0.872 2.924 -9.984 1.00 1.00 C ATOM 325 ND1 HIS A 22 0.243 2.194 -10.083 1.00 1.00 N ATOM 326 CD2 HIS A 22 -0.614 3.891 -9.042 1.00 1.00 C ATOM 327 CE1 HIS A 22 1.161 2.687 -9.236 1.00 1.00 C ATOM 328 NE2 HIS A 22 0.684 3.736 -8.569 1.00 1.00 N ATOM 0 H HIS A 22 -2.730 0.223 -11.143 1.00 1.00 H new ATOM 0 HA HIS A 22 -3.204 2.228 -9.032 1.00 1.00 H new ATOM 0 HB2 HIS A 22 -1.816 2.017 -11.653 1.00 1.00 H new ATOM 0 HB3 HIS A 22 -2.475 3.579 -11.208 1.00 1.00 H new ATOM 0 HD1 HIS A 22 0.375 1.393 -10.701 1.00 1.00 H new ATOM 0 HD2 HIS A 22 -1.310 4.651 -8.720 1.00 1.00 H new ATOM 0 HE1 HIS A 22 2.156 2.285 -9.112 1.00 1.00 H new ATOM 336 N ALA A 23 -5.198 1.668 -11.524 1.00 1.00 N ATOM 337 CA ALA A 23 -6.512 1.983 -12.059 1.00 1.00 C ATOM 338 C ALA A 23 -7.492 2.188 -10.902 1.00 1.00 C ATOM 339 O ALA A 23 -8.166 3.210 -10.791 1.00 1.00 O ATOM 340 CB ALA A 23 -6.956 0.870 -13.010 1.00 1.00 C ATOM 0 H ALA A 23 -4.742 0.866 -11.958 1.00 1.00 H new ATOM 0 HA ALA A 23 -6.482 2.909 -12.633 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -7.942 1.106 -13.411 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -6.242 0.785 -13.829 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -7.002 -0.075 -12.468 1.00 1.00 H new ATOM 346 N PRO A 24 -7.557 1.178 -10.032 1.00 1.00 N ATOM 347 CA PRO A 24 -8.414 1.159 -8.866 1.00 1.00 C ATOM 348 C PRO A 24 -7.989 2.258 -7.903 1.00 1.00 C ATOM 349 O PRO A 24 -8.663 2.468 -6.897 1.00 1.00 O ATOM 350 CB PRO A 24 -8.204 -0.222 -8.248 1.00 1.00 C ATOM 351 CG PRO A 24 -7.605 -1.096 -9.404 1.00 1.00 C ATOM 352 CD PRO A 24 -6.779 -0.038 -10.132 1.00 1.00 C ATOM 0 HA PRO A 24 -9.462 1.334 -9.107 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -7.525 -0.174 -7.397 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -9.143 -0.639 -7.884 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -6.994 -1.919 -9.032 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -8.376 -1.533 -10.039 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -5.798 0.082 -9.672 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.612 -0.315 -11.173 1.00 1.00 H new ATOM 360 N HIS A 25 -6.885 2.937 -8.219 1.00 1.00 N ATOM 361 CA HIS A 25 -6.355 4.016 -7.394 1.00 1.00 C ATOM 362 C HIS A 25 -6.004 5.225 -8.279 1.00 1.00 C ATOM 363 O HIS A 25 -4.996 5.891 -8.046 1.00 1.00 O ATOM 364 CB HIS A 25 -5.178 3.476 -6.567 1.00 1.00 C ATOM 365 CG HIS A 25 -5.458 2.278 -5.689 1.00 1.00 C ATOM 366 ND1 HIS A 25 -5.294 1.021 -6.113 1.00 1.00 N ATOM 367 CD2 HIS A 25 -5.898 2.189 -4.390 1.00 1.00 C ATOM 368 CE1 HIS A 25 -5.620 0.182 -5.117 1.00 1.00 C ATOM 369 NE2 HIS A 25 -5.999 0.850 -4.030 1.00 1.00 N ATOM 0 H HIS A 25 -6.334 2.751 -9.057 1.00 1.00 H new ATOM 0 HA HIS A 25 -7.099 4.377 -6.683 1.00 1.00 H new ATOM 0 HB2 HIS A 25 -4.372 3.214 -7.253 1.00 1.00 H new ATOM 0 HB3 HIS A 25 -4.808 4.283 -5.934 1.00 1.00 H new ATOM 0 HD1 HIS A 25 -4.974 0.745 -7.041 1.00 1.00 H new ATOM 0 HD2 HIS A 25 -6.129 3.027 -3.750 1.00 1.00 H new ATOM 0 HE1 HIS A 25 -5.580 -0.895 -5.188 1.00 1.00 H new ATOM 377 N GLU A 26 -6.851 5.468 -9.268 1.00 1.00 N ATOM 378 CA GLU A 26 -6.640 6.580 -10.179 1.00 1.00 C ATOM 379 C GLU A 26 -7.477 7.786 -9.748 1.00 1.00 C ATOM 380 O GLU A 26 -7.513 8.801 -10.442 1.00 1.00 O ATOM 381 CB GLU A 26 -6.959 6.177 -11.620 1.00 1.00 C ATOM 382 CG GLU A 26 -7.050 7.407 -12.526 1.00 1.00 C ATOM 383 CD GLU A 26 -6.743 7.041 -13.979 1.00 1.00 C ATOM 384 OE1 GLU A 26 -5.686 6.459 -14.262 1.00 1.00 O ATOM 385 OE2 GLU A 26 -7.651 7.383 -14.831 1.00 1.00 O ATOM 0 H GLU A 26 -7.686 4.913 -9.459 1.00 1.00 H new ATOM 0 HA GLU A 26 -5.588 6.861 -10.140 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -6.187 5.503 -11.992 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -7.901 5.630 -11.648 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -8.048 7.839 -12.459 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -6.349 8.168 -12.183 1.00 1.00 H new ATOM 393 N LYS A 27 -8.130 7.635 -8.605 1.00 1.00 N ATOM 394 CA LYS A 27 -8.965 8.698 -8.074 1.00 1.00 C ATOM 395 C LYS A 27 -8.418 9.139 -6.714 1.00 1.00 C ATOM 396 O LYS A 27 -8.914 10.097 -6.123 1.00 1.00 O ATOM 397 CB LYS A 27 -10.430 8.260 -8.034 1.00 1.00 C ATOM 398 CG LYS A 27 -10.600 6.990 -7.199 1.00 1.00 C ATOM 399 CD LYS A 27 -11.667 7.182 -6.119 1.00 1.00 C ATOM 400 CE LYS A 27 -11.030 7.272 -4.730 1.00 1.00 C ATOM 401 NZ LYS A 27 -12.070 7.469 -3.695 1.00 1.00 N ATOM 0 H LYS A 27 -8.097 6.792 -8.032 1.00 1.00 H new ATOM 0 HA LYS A 27 -8.935 9.569 -8.729 1.00 1.00 H new ATOM 0 HB2 LYS A 27 -11.041 9.059 -7.615 1.00 1.00 H new ATOM 0 HB3 LYS A 27 -10.788 8.083 -9.048 1.00 1.00 H new ATOM 0 HG2 LYS A 27 -10.879 6.159 -7.847 1.00 1.00 H new ATOM 0 HG3 LYS A 27 -9.650 6.727 -6.734 1.00 1.00 H new ATOM 0 HD2 LYS A 27 -12.236 8.089 -6.322 1.00 1.00 H new ATOM 0 HD3 LYS A 27 -12.372 6.351 -6.147 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -10.468 6.361 -4.521 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -10.319 8.098 -4.702 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -11.621 7.528 -2.759 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -12.588 8.350 -3.887 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -12.732 6.667 -3.711 1.00 1.00 H new ATOM 414 N VAL A 28 -7.403 8.420 -6.259 1.00 1.00 N ATOM 415 CA VAL A 28 -6.783 8.725 -4.981 1.00 1.00 C ATOM 416 C VAL A 28 -5.476 9.483 -5.221 1.00 1.00 C ATOM 417 O VAL A 28 -4.557 8.960 -5.848 1.00 1.00 O ATOM 418 CB VAL A 28 -6.589 7.440 -4.174 1.00 1.00 C ATOM 419 CG1 VAL A 28 -6.091 7.750 -2.761 1.00 1.00 C ATOM 420 CG2 VAL A 28 -7.879 6.618 -4.132 1.00 1.00 C ATOM 0 H VAL A 28 -6.994 7.627 -6.753 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.429 9.372 -4.388 1.00 1.00 H new ATOM 0 HB VAL A 28 -5.827 6.842 -4.675 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -5.961 6.819 -2.209 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -5.137 8.274 -2.818 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -6.819 8.378 -2.248 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -7.713 5.710 -3.552 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -8.670 7.206 -3.667 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -8.174 6.352 -5.147 1.00 1.00 H new ATOM 430 N GLU A 29 -5.436 10.705 -4.709 1.00 1.00 N ATOM 431 CA GLU A 29 -4.257 11.540 -4.859 1.00 1.00 C ATOM 432 C GLU A 29 -2.989 10.717 -4.623 1.00 1.00 C ATOM 433 O GLU A 29 -2.978 9.814 -3.789 1.00 1.00 O ATOM 434 CB GLU A 29 -4.313 12.743 -3.916 1.00 1.00 C ATOM 435 CG GLU A 29 -5.212 13.844 -4.483 1.00 1.00 C ATOM 436 CD GLU A 29 -6.564 13.872 -3.767 1.00 1.00 C ATOM 437 OE1 GLU A 29 -6.668 13.407 -2.622 1.00 1.00 O ATOM 438 OE2 GLU A 29 -7.527 14.402 -4.442 1.00 1.00 O ATOM 0 H GLU A 29 -6.201 11.136 -4.190 1.00 1.00 H new ATOM 0 HA GLU A 29 -4.234 11.921 -5.880 1.00 1.00 H new ATOM 0 HB2 GLU A 29 -4.688 12.429 -2.942 1.00 1.00 H new ATOM 0 HB3 GLU A 29 -3.308 13.134 -3.760 1.00 1.00 H new ATOM 0 HG2 GLU A 29 -4.720 14.811 -4.376 1.00 1.00 H new ATOM 0 HG3 GLU A 29 -5.365 13.680 -5.550 1.00 1.00 H new ATOM 446 N CYS A 30 -1.951 11.060 -5.373 1.00 1.00 N ATOM 447 CA CYS A 30 -0.681 10.363 -5.255 1.00 1.00 C ATOM 448 C CYS A 30 -0.185 10.509 -3.816 1.00 1.00 C ATOM 449 O CYS A 30 -0.076 9.523 -3.090 1.00 1.00 O ATOM 450 CB CYS A 30 0.343 10.881 -6.268 1.00 1.00 C ATOM 451 SG CYS A 30 -0.328 11.211 -7.938 1.00 1.00 S ATOM 0 H CYS A 30 -1.964 11.810 -6.064 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.819 9.306 -5.484 1.00 1.00 H new ATOM 0 HB2 CYS A 30 0.783 11.800 -5.881 1.00 1.00 H new ATOM 0 HB3 CYS A 30 1.149 10.152 -6.353 1.00 1.00 H new ATOM 456 N VAL A 31 0.104 11.749 -3.446 1.00 1.00 N ATOM 457 CA VAL A 31 0.586 12.036 -2.106 1.00 1.00 C ATOM 458 C VAL A 31 -0.158 11.155 -1.100 1.00 1.00 C ATOM 459 O VAL A 31 0.462 10.397 -0.356 1.00 1.00 O ATOM 460 CB VAL A 31 0.447 13.531 -1.809 1.00 1.00 C ATOM 461 CG1 VAL A 31 -0.971 14.020 -2.112 1.00 1.00 C ATOM 462 CG2 VAL A 31 0.837 13.842 -0.363 1.00 1.00 C ATOM 0 H VAL A 31 0.013 12.565 -4.051 1.00 1.00 H new ATOM 0 HA VAL A 31 1.647 11.799 -2.023 1.00 1.00 H new ATOM 0 HB VAL A 31 1.134 14.068 -2.463 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -1.043 15.085 -1.893 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -1.197 13.850 -3.165 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -1.684 13.473 -1.495 1.00 1.00 H new ATOM 0 HG21 VAL A 31 0.729 14.911 -0.179 1.00 1.00 H new ATOM 0 HG22 VAL A 31 0.187 13.289 0.316 1.00 1.00 H new ATOM 0 HG23 VAL A 31 1.873 13.548 -0.194 1.00 1.00 H new ATOM 472 N THR A 32 -1.476 11.285 -1.111 1.00 1.00 N ATOM 473 CA THR A 32 -2.311 10.509 -0.209 1.00 1.00 C ATOM 474 C THR A 32 -1.724 9.111 -0.008 1.00 1.00 C ATOM 475 O THR A 32 -1.863 8.524 1.064 1.00 1.00 O ATOM 476 CB THR A 32 -3.733 10.496 -0.775 1.00 1.00 C ATOM 477 OG1 THR A 32 -4.205 11.823 -0.558 1.00 1.00 O ATOM 478 CG2 THR A 32 -4.683 9.624 0.049 1.00 1.00 C ATOM 0 H THR A 32 -1.986 11.915 -1.729 1.00 1.00 H new ATOM 0 HA THR A 32 -2.345 10.958 0.784 1.00 1.00 H new ATOM 0 HB THR A 32 -3.711 10.137 -1.804 1.00 1.00 H new ATOM 0 HG1 THR A 32 -5.166 11.864 -0.748 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.678 9.650 -0.395 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.317 8.597 0.060 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.732 10.003 1.070 1.00 1.00 H new ATOM 486 N CYS A 33 -1.081 8.618 -1.056 1.00 1.00 N ATOM 487 CA CYS A 33 -0.472 7.299 -1.008 1.00 1.00 C ATOM 488 C CYS A 33 1.046 7.473 -0.942 1.00 1.00 C ATOM 489 O CYS A 33 1.697 6.990 -0.018 1.00 1.00 O ATOM 490 CB CYS A 33 -0.897 6.437 -2.199 1.00 1.00 C ATOM 491 SG CYS A 33 -2.193 5.252 -1.683 1.00 1.00 S ATOM 0 H CYS A 33 -0.968 9.108 -1.944 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.814 6.769 -0.119 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.272 7.071 -3.002 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -0.036 5.898 -2.594 1.00 1.00 H new ATOM 496 N HIS A 34 1.577 8.174 -1.945 1.00 1.00 N ATOM 497 CA HIS A 34 3.007 8.443 -2.053 1.00 1.00 C ATOM 498 C HIS A 34 3.379 9.641 -1.161 1.00 1.00 C ATOM 499 O HIS A 34 3.664 10.727 -1.661 1.00 1.00 O ATOM 500 CB HIS A 34 3.369 8.622 -3.535 1.00 1.00 C ATOM 501 CG HIS A 34 3.254 7.399 -4.415 1.00 1.00 C ATOM 502 ND1 HIS A 34 4.175 6.430 -4.424 1.00 1.00 N ATOM 503 CD2 HIS A 34 2.291 7.019 -5.319 1.00 1.00 C ATOM 504 CE1 HIS A 34 3.800 5.484 -5.299 1.00 1.00 C ATOM 505 NE2 HIS A 34 2.644 5.798 -5.880 1.00 1.00 N ATOM 0 H HIS A 34 1.025 8.571 -2.705 1.00 1.00 H new ATOM 0 HA HIS A 34 3.600 7.605 -1.686 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.729 9.401 -3.950 1.00 1.00 H new ATOM 0 HB3 HIS A 34 4.394 8.988 -3.593 1.00 1.00 H new ATOM 0 HD1 HIS A 34 5.024 6.413 -3.858 1.00 1.00 H new ATOM 0 HD2 HIS A 34 1.400 7.581 -5.556 1.00 1.00 H new ATOM 0 HE1 HIS A 34 4.363 4.585 -5.505 1.00 1.00 H new ATOM 513 N HIS A 35 3.366 9.402 0.151 1.00 1.00 N ATOM 514 CA HIS A 35 3.692 10.418 1.145 1.00 1.00 C ATOM 515 C HIS A 35 4.911 11.233 0.674 1.00 1.00 C ATOM 516 O HIS A 35 5.663 10.780 -0.187 1.00 1.00 O ATOM 517 CB HIS A 35 3.876 9.738 2.510 1.00 1.00 C ATOM 518 CG HIS A 35 5.149 8.949 2.710 1.00 1.00 C ATOM 519 ND1 HIS A 35 6.361 9.477 2.516 1.00 1.00 N ATOM 520 CD2 HIS A 35 5.357 7.646 3.095 1.00 1.00 C ATOM 521 CE1 HIS A 35 7.288 8.541 2.770 1.00 1.00 C ATOM 522 NE2 HIS A 35 6.723 7.391 3.132 1.00 1.00 N ATOM 0 H HIS A 35 3.128 8.495 0.552 1.00 1.00 H new ATOM 0 HA HIS A 35 2.881 11.137 1.261 1.00 1.00 H new ATOM 0 HB2 HIS A 35 3.827 10.506 3.282 1.00 1.00 H new ATOM 0 HB3 HIS A 35 3.032 9.068 2.673 1.00 1.00 H new ATOM 0 HD1 HIS A 35 6.551 10.435 2.223 1.00 1.00 H new ATOM 0 HD2 HIS A 35 4.581 6.933 3.332 1.00 1.00 H new ATOM 0 HE1 HIS A 35 8.353 8.700 2.691 1.00 1.00 H new ATOM 530 N LEU A 36 5.064 12.412 1.259 1.00 1.00 N ATOM 531 CA LEU A 36 6.173 13.283 0.909 1.00 1.00 C ATOM 532 C LEU A 36 7.387 12.926 1.770 1.00 1.00 C ATOM 533 O LEU A 36 7.237 12.442 2.890 1.00 1.00 O ATOM 534 CB LEU A 36 5.756 14.751 1.014 1.00 1.00 C ATOM 535 CG LEU A 36 4.313 15.068 0.615 1.00 1.00 C ATOM 536 CD1 LEU A 36 3.535 15.656 1.794 1.00 1.00 C ATOM 537 CD2 LEU A 36 4.272 15.982 -0.611 1.00 1.00 C ATOM 0 H LEU A 36 4.438 12.784 1.973 1.00 1.00 H new ATOM 0 HA LEU A 36 6.462 13.132 -0.131 1.00 1.00 H new ATOM 0 HB2 LEU A 36 5.908 15.079 2.042 1.00 1.00 H new ATOM 0 HB3 LEU A 36 6.424 15.344 0.388 1.00 1.00 H new ATOM 0 HG LEU A 36 3.822 14.135 0.338 1.00 1.00 H new ATOM 0 HD11 LEU A 36 2.513 15.872 1.484 1.00 1.00 H new ATOM 0 HD12 LEU A 36 3.521 14.939 2.615 1.00 1.00 H new ATOM 0 HD13 LEU A 36 4.016 16.576 2.125 1.00 1.00 H new ATOM 0 HD21 LEU A 36 3.235 16.192 -0.874 1.00 1.00 H new ATOM 0 HD22 LEU A 36 4.786 16.917 -0.385 1.00 1.00 H new ATOM 0 HD23 LEU A 36 4.766 15.490 -1.449 1.00 1.00 H new ATOM 549 N VAL A 37 8.562 13.179 1.212 1.00 1.00 N ATOM 550 CA VAL A 37 9.801 12.891 1.914 1.00 1.00 C ATOM 551 C VAL A 37 10.548 14.199 2.181 1.00 1.00 C ATOM 552 O VAL A 37 11.004 14.859 1.248 1.00 1.00 O ATOM 553 CB VAL A 37 10.630 11.880 1.119 1.00 1.00 C ATOM 554 CG1 VAL A 37 11.999 11.663 1.767 1.00 1.00 C ATOM 555 CG2 VAL A 37 9.880 10.556 0.965 1.00 1.00 C ATOM 0 H VAL A 37 8.682 13.580 0.282 1.00 1.00 H new ATOM 0 HA VAL A 37 9.594 12.433 2.881 1.00 1.00 H new ATOM 0 HB VAL A 37 10.793 12.290 0.122 1.00 1.00 H new ATOM 0 HG11 VAL A 37 12.568 10.940 1.182 1.00 1.00 H new ATOM 0 HG12 VAL A 37 12.540 12.609 1.800 1.00 1.00 H new ATOM 0 HG13 VAL A 37 11.866 11.285 2.781 1.00 1.00 H new ATOM 0 HG21 VAL A 37 10.491 9.855 0.396 1.00 1.00 H new ATOM 0 HG22 VAL A 37 9.672 10.139 1.950 1.00 1.00 H new ATOM 0 HG23 VAL A 37 8.941 10.729 0.439 1.00 1.00 H new ATOM 565 N ASP A 38 10.650 14.536 3.459 1.00 1.00 N ATOM 566 CA ASP A 38 11.333 15.753 3.860 1.00 1.00 C ATOM 567 C ASP A 38 10.703 16.947 3.139 1.00 1.00 C ATOM 568 O ASP A 38 11.410 17.843 2.680 1.00 1.00 O ATOM 569 CB ASP A 38 12.815 15.702 3.484 1.00 1.00 C ATOM 570 CG ASP A 38 13.715 14.991 4.496 1.00 1.00 C ATOM 571 OD1 ASP A 38 14.201 15.603 5.459 1.00 1.00 O ATOM 572 OD2 ASP A 38 13.916 13.739 4.262 1.00 1.00 O ATOM 0 H ASP A 38 10.270 13.986 4.230 1.00 1.00 H new ATOM 0 HA ASP A 38 11.239 15.852 4.941 1.00 1.00 H new ATOM 0 HB2 ASP A 38 12.913 15.203 2.520 1.00 1.00 H new ATOM 0 HB3 ASP A 38 13.176 16.722 3.353 1.00 1.00 H new ATOM 578 N GLY A 39 9.381 16.922 3.063 1.00 1.00 N ATOM 579 CA GLY A 39 8.648 17.991 2.407 1.00 1.00 C ATOM 580 C GLY A 39 9.033 18.093 0.930 1.00 1.00 C ATOM 581 O GLY A 39 9.017 19.180 0.354 1.00 1.00 O ATOM 0 H GLY A 39 8.798 16.178 3.445 1.00 1.00 H new ATOM 0 HA2 GLY A 39 7.577 17.810 2.496 1.00 1.00 H new ATOM 0 HA3 GLY A 39 8.854 18.938 2.906 1.00 1.00 H new ATOM 585 N LYS A 40 9.371 16.946 0.359 1.00 1.00 N ATOM 586 CA LYS A 40 9.759 16.893 -1.040 1.00 1.00 C ATOM 587 C LYS A 40 9.054 15.716 -1.717 1.00 1.00 C ATOM 588 O LYS A 40 9.091 14.594 -1.215 1.00 1.00 O ATOM 589 CB LYS A 40 11.283 16.854 -1.172 1.00 1.00 C ATOM 590 CG LYS A 40 11.764 17.816 -2.260 1.00 1.00 C ATOM 591 CD LYS A 40 11.630 19.270 -1.804 1.00 1.00 C ATOM 592 CE LYS A 40 11.905 20.235 -2.960 1.00 1.00 C ATOM 593 NZ LYS A 40 10.654 20.896 -3.392 1.00 1.00 N ATOM 0 H LYS A 40 9.384 16.047 0.840 1.00 1.00 H new ATOM 0 HA LYS A 40 9.439 17.797 -1.558 1.00 1.00 H new ATOM 0 HB2 LYS A 40 11.741 17.119 -0.219 1.00 1.00 H new ATOM 0 HB3 LYS A 40 11.605 15.840 -1.410 1.00 1.00 H new ATOM 0 HG2 LYS A 40 12.804 17.602 -2.505 1.00 1.00 H new ATOM 0 HG3 LYS A 40 11.184 17.661 -3.170 1.00 1.00 H new ATOM 0 HD2 LYS A 40 10.627 19.441 -1.413 1.00 1.00 H new ATOM 0 HD3 LYS A 40 12.327 19.465 -0.989 1.00 1.00 H new ATOM 0 HE2 LYS A 40 12.632 20.986 -2.650 1.00 1.00 H new ATOM 0 HE3 LYS A 40 12.345 19.693 -3.797 1.00 1.00 H new ATOM 0 HZ1 LYS A 40 10.859 21.547 -4.177 1.00 1.00 H new ATOM 0 HZ2 LYS A 40 9.972 20.177 -3.708 1.00 1.00 H new ATOM 0 HZ3 LYS A 40 10.250 21.430 -2.596 1.00 1.00 H new ATOM 606 N GLU A 41 8.426 16.013 -2.845 1.00 1.00 N ATOM 607 CA GLU A 41 7.713 14.994 -3.596 1.00 1.00 C ATOM 608 C GLU A 41 8.513 13.689 -3.612 1.00 1.00 C ATOM 609 O GLU A 41 9.742 13.711 -3.600 1.00 1.00 O ATOM 610 CB GLU A 41 7.411 15.470 -5.018 1.00 1.00 C ATOM 611 CG GLU A 41 6.249 16.466 -5.028 1.00 1.00 C ATOM 612 CD GLU A 41 6.634 17.750 -5.764 1.00 1.00 C ATOM 613 OE1 GLU A 41 7.654 18.373 -5.432 1.00 1.00 O ATOM 614 OE2 GLU A 41 5.832 18.097 -6.713 1.00 1.00 O ATOM 0 H GLU A 41 8.396 16.945 -3.257 1.00 1.00 H new ATOM 0 HA GLU A 41 6.760 14.807 -3.102 1.00 1.00 H new ATOM 0 HB2 GLU A 41 8.298 15.937 -5.445 1.00 1.00 H new ATOM 0 HB3 GLU A 41 7.167 14.614 -5.648 1.00 1.00 H new ATOM 0 HG2 GLU A 41 5.382 16.013 -5.508 1.00 1.00 H new ATOM 0 HG3 GLU A 41 5.959 16.702 -4.004 1.00 1.00 H new ATOM 622 N SER A 42 7.782 12.585 -3.640 1.00 1.00 N ATOM 623 CA SER A 42 8.408 11.274 -3.659 1.00 1.00 C ATOM 624 C SER A 42 7.607 10.324 -4.552 1.00 1.00 C ATOM 625 O SER A 42 6.378 10.340 -4.586 1.00 1.00 O ATOM 626 CB SER A 42 8.527 10.700 -2.246 1.00 1.00 C ATOM 627 OG SER A 42 9.530 9.691 -2.162 1.00 1.00 O ATOM 0 H SER A 42 6.762 12.571 -3.650 1.00 1.00 H new ATOM 0 HA SER A 42 9.414 11.382 -4.064 1.00 1.00 H new ATOM 0 HB2 SER A 42 8.761 11.503 -1.547 1.00 1.00 H new ATOM 0 HB3 SER A 42 7.567 10.283 -1.942 1.00 1.00 H new ATOM 0 HG SER A 42 9.372 9.138 -1.369 1.00 1.00 H new ATOM 633 N TYR A 43 8.342 9.484 -5.284 1.00 1.00 N ATOM 634 CA TYR A 43 7.734 8.522 -6.182 1.00 1.00 C ATOM 635 C TYR A 43 8.704 7.381 -6.451 1.00 1.00 C ATOM 636 O TYR A 43 8.835 6.970 -7.603 1.00 1.00 O ATOM 637 CB TYR A 43 7.345 9.219 -7.483 1.00 1.00 C ATOM 638 CG TYR A 43 6.257 10.252 -7.311 1.00 1.00 C ATOM 639 CD1 TYR A 43 4.912 9.873 -7.391 1.00 1.00 C ATOM 640 CD2 TYR A 43 6.594 11.590 -7.073 1.00 1.00 C ATOM 641 CE1 TYR A 43 3.904 10.831 -7.232 1.00 1.00 C ATOM 642 CE2 TYR A 43 5.586 12.549 -6.914 1.00 1.00 C ATOM 643 CZ TYR A 43 4.241 12.169 -6.994 1.00 1.00 C ATOM 644 OH TYR A 43 3.259 13.103 -6.840 1.00 1.00 O ATOM 0 H TYR A 43 9.361 9.457 -5.266 1.00 1.00 H new ATOM 0 HA TYR A 43 6.836 8.107 -5.723 1.00 1.00 H new ATOM 0 HB2 TYR A 43 8.227 9.699 -7.907 1.00 1.00 H new ATOM 0 HB3 TYR A 43 7.013 8.470 -8.202 1.00 1.00 H new ATOM 0 HD1 TYR A 43 4.652 8.841 -7.575 1.00 1.00 H new ATOM 0 HD2 TYR A 43 7.632 11.883 -7.012 1.00 1.00 H new ATOM 0 HE1 TYR A 43 2.866 10.538 -7.293 1.00 1.00 H new ATOM 0 HE2 TYR A 43 5.846 13.581 -6.730 1.00 1.00 H new ATOM 0 HH TYR A 43 3.665 13.981 -6.681 1.00 1.00 H new ATOM 654 N ALA A 44 9.356 6.898 -5.403 1.00 1.00 N ATOM 655 CA ALA A 44 10.306 5.808 -5.550 1.00 1.00 C ATOM 656 C ALA A 44 9.684 4.519 -5.009 1.00 1.00 C ATOM 657 O ALA A 44 8.870 4.558 -4.088 1.00 1.00 O ATOM 658 CB ALA A 44 11.612 6.169 -4.839 1.00 1.00 C ATOM 0 H ALA A 44 9.245 7.241 -4.449 1.00 1.00 H new ATOM 0 HA ALA A 44 10.542 5.644 -6.601 1.00 1.00 H new ATOM 0 HB1 ALA A 44 12.324 5.351 -4.949 1.00 1.00 H new ATOM 0 HB2 ALA A 44 12.028 7.075 -5.280 1.00 1.00 H new ATOM 0 HB3 ALA A 44 11.415 6.338 -3.780 1.00 1.00 H new ATOM 664 N LYS A 45 10.091 3.408 -5.605 1.00 1.00 N ATOM 665 CA LYS A 45 9.584 2.109 -5.194 1.00 1.00 C ATOM 666 C LYS A 45 9.473 2.070 -3.668 1.00 1.00 C ATOM 667 O LYS A 45 10.296 2.656 -2.967 1.00 1.00 O ATOM 668 CB LYS A 45 10.446 0.988 -5.777 1.00 1.00 C ATOM 669 CG LYS A 45 11.832 0.968 -5.127 1.00 1.00 C ATOM 670 CD LYS A 45 12.917 1.339 -6.140 1.00 1.00 C ATOM 671 CE LYS A 45 13.318 0.127 -6.983 1.00 1.00 C ATOM 672 NZ LYS A 45 14.593 0.384 -7.688 1.00 1.00 N ATOM 0 H LYS A 45 10.766 3.380 -6.369 1.00 1.00 H new ATOM 0 HA LYS A 45 8.582 1.948 -5.592 1.00 1.00 H new ATOM 0 HB2 LYS A 45 9.954 0.028 -5.622 1.00 1.00 H new ATOM 0 HB3 LYS A 45 10.547 1.124 -6.854 1.00 1.00 H new ATOM 0 HG2 LYS A 45 11.856 1.667 -4.291 1.00 1.00 H new ATOM 0 HG3 LYS A 45 12.033 -0.023 -4.720 1.00 1.00 H new ATOM 0 HD2 LYS A 45 12.555 2.135 -6.791 1.00 1.00 H new ATOM 0 HD3 LYS A 45 13.791 1.727 -5.617 1.00 1.00 H new ATOM 0 HE2 LYS A 45 13.420 -0.750 -6.344 1.00 1.00 H new ATOM 0 HE3 LYS A 45 12.534 -0.095 -7.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 14.850 -0.449 -8.255 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 14.484 1.208 -8.313 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 15.342 0.574 -6.992 1.00 1.00 H new ATOM 685 N CYS A 46 8.448 1.373 -3.200 1.00 1.00 N ATOM 686 CA CYS A 46 8.218 1.249 -1.770 1.00 1.00 C ATOM 687 C CYS A 46 9.534 0.836 -1.106 1.00 1.00 C ATOM 688 O CYS A 46 9.744 1.096 0.077 1.00 1.00 O ATOM 689 CB CYS A 46 7.089 0.264 -1.462 1.00 1.00 C ATOM 690 SG CYS A 46 5.712 0.959 -0.477 1.00 1.00 S ATOM 0 H CYS A 46 7.768 0.888 -3.785 1.00 1.00 H new ATOM 0 HA CYS A 46 7.894 2.208 -1.366 1.00 1.00 H new ATOM 0 HB2 CYS A 46 6.689 -0.115 -2.403 1.00 1.00 H new ATOM 0 HB3 CYS A 46 7.506 -0.589 -0.927 1.00 1.00 H new ATOM 695 N GLY A 47 10.384 0.198 -1.898 1.00 1.00 N ATOM 696 CA GLY A 47 11.673 -0.254 -1.402 1.00 1.00 C ATOM 697 C GLY A 47 12.819 0.426 -2.153 1.00 1.00 C ATOM 698 O GLY A 47 13.563 -0.228 -2.882 1.00 1.00 O ATOM 0 H GLY A 47 10.205 -0.016 -2.879 1.00 1.00 H new ATOM 0 HA2 GLY A 47 11.753 -0.038 -0.337 1.00 1.00 H new ATOM 0 HA3 GLY A 47 11.751 -1.335 -1.514 1.00 1.00 H new ATOM 702 N SER A 48 12.925 1.732 -1.950 1.00 1.00 N ATOM 703 CA SER A 48 13.968 2.507 -2.599 1.00 1.00 C ATOM 704 C SER A 48 15.112 2.771 -1.618 1.00 1.00 C ATOM 705 O SER A 48 14.967 2.550 -0.417 1.00 1.00 O ATOM 706 CB SER A 48 13.416 3.829 -3.139 1.00 1.00 C ATOM 707 OG SER A 48 14.453 4.692 -3.598 1.00 1.00 O ATOM 0 H SER A 48 12.306 2.272 -1.345 1.00 1.00 H new ATOM 0 HA SER A 48 14.348 1.931 -3.443 1.00 1.00 H new ATOM 0 HB2 SER A 48 12.724 3.626 -3.957 1.00 1.00 H new ATOM 0 HB3 SER A 48 12.846 4.331 -2.357 1.00 1.00 H new ATOM 0 HG SER A 48 14.120 5.613 -3.634 1.00 1.00 H new ATOM 713 N SER A 49 16.223 3.239 -2.167 1.00 1.00 N ATOM 714 CA SER A 49 17.391 3.535 -1.355 1.00 1.00 C ATOM 715 C SER A 49 17.007 4.471 -0.207 1.00 1.00 C ATOM 716 O SER A 49 16.350 5.488 -0.423 1.00 1.00 O ATOM 717 CB SER A 49 18.505 4.160 -2.198 1.00 1.00 C ATOM 718 OG SER A 49 19.798 3.753 -1.760 1.00 1.00 O ATOM 0 H SER A 49 16.339 3.421 -3.164 1.00 1.00 H new ATOM 0 HA SER A 49 17.766 2.598 -0.943 1.00 1.00 H new ATOM 0 HB2 SER A 49 18.371 3.878 -3.242 1.00 1.00 H new ATOM 0 HB3 SER A 49 18.431 5.246 -2.149 1.00 1.00 H new ATOM 0 HG SER A 49 20.481 4.172 -2.324 1.00 1.00 H new ATOM 724 N GLY A 50 17.434 4.094 0.989 1.00 1.00 N ATOM 725 CA GLY A 50 17.143 4.886 2.172 1.00 1.00 C ATOM 726 C GLY A 50 15.636 4.966 2.421 1.00 1.00 C ATOM 727 O GLY A 50 15.123 6.011 2.818 1.00 1.00 O ATOM 0 H GLY A 50 17.980 3.250 1.164 1.00 1.00 H new ATOM 0 HA2 GLY A 50 17.636 4.446 3.039 1.00 1.00 H new ATOM 0 HA3 GLY A 50 17.549 5.890 2.051 1.00 1.00 H new ATOM 731 N CYS A 51 14.969 3.847 2.179 1.00 1.00 N ATOM 732 CA CYS A 51 13.530 3.777 2.372 1.00 1.00 C ATOM 733 C CYS A 51 13.204 2.457 3.074 1.00 1.00 C ATOM 734 O CYS A 51 13.973 1.977 3.904 1.00 1.00 O ATOM 735 CB CYS A 51 12.774 3.923 1.050 1.00 1.00 C ATOM 736 SG CYS A 51 13.436 5.342 0.103 1.00 1.00 S ATOM 0 H CYS A 51 15.398 2.982 1.851 1.00 1.00 H new ATOM 0 HA CYS A 51 13.203 4.609 2.995 1.00 1.00 H new ATOM 0 HB2 CYS A 51 12.869 3.009 0.464 1.00 1.00 H new ATOM 0 HB3 CYS A 51 11.711 4.069 1.244 1.00 1.00 H new ATOM 741 N HIS A 52 12.049 1.897 2.713 1.00 1.00 N ATOM 742 CA HIS A 52 11.569 0.639 3.273 1.00 1.00 C ATOM 743 C HIS A 52 12.094 -0.539 2.431 1.00 1.00 C ATOM 744 O HIS A 52 11.378 -1.051 1.571 1.00 1.00 O ATOM 745 CB HIS A 52 10.039 0.698 3.392 1.00 1.00 C ATOM 746 CG HIS A 52 9.444 2.008 3.856 1.00 1.00 C ATOM 747 ND1 HIS A 52 9.414 2.369 5.142 1.00 1.00 N ATOM 748 CD2 HIS A 52 8.856 3.034 3.157 1.00 1.00 C ATOM 749 CE1 HIS A 52 8.829 3.573 5.241 1.00 1.00 C ATOM 750 NE2 HIS A 52 8.465 4.030 4.044 1.00 1.00 N ATOM 0 H HIS A 52 11.420 2.306 2.022 1.00 1.00 H new ATOM 0 HA HIS A 52 11.954 0.478 4.280 1.00 1.00 H new ATOM 0 HB2 HIS A 52 9.612 0.456 2.418 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.721 -0.084 4.082 1.00 1.00 H new ATOM 0 HD1 HIS A 52 9.776 1.820 5.921 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.719 3.062 2.086 1.00 1.00 H new ATOM 0 HE1 HIS A 52 8.674 4.102 6.170 1.00 1.00 H new ATOM 758 N ASP A 53 13.329 -0.929 2.709 1.00 1.00 N ATOM 759 CA ASP A 53 13.945 -2.031 1.989 1.00 1.00 C ATOM 760 C ASP A 53 14.606 -2.981 2.990 1.00 1.00 C ATOM 761 O ASP A 53 15.795 -3.277 2.878 1.00 1.00 O ATOM 762 CB ASP A 53 15.026 -1.526 1.031 1.00 1.00 C ATOM 763 CG ASP A 53 16.297 -1.007 1.706 1.00 1.00 C ATOM 764 OD1 ASP A 53 17.365 -1.633 1.625 1.00 1.00 O ATOM 765 OD2 ASP A 53 16.160 0.105 2.346 1.00 1.00 O ATOM 0 H ASP A 53 13.920 -0.502 3.423 1.00 1.00 H new ATOM 0 HA ASP A 53 13.167 -2.540 1.419 1.00 1.00 H new ATOM 0 HB2 ASP A 53 15.297 -2.336 0.354 1.00 1.00 H new ATOM 0 HB3 ASP A 53 14.605 -0.727 0.420 1.00 1.00 H new ATOM 771 N ASP A 54 13.807 -3.433 3.945 1.00 1.00 N ATOM 772 CA ASP A 54 14.300 -4.344 4.964 1.00 1.00 C ATOM 773 C ASP A 54 13.113 -5.017 5.657 1.00 1.00 C ATOM 774 O ASP A 54 12.526 -4.453 6.578 1.00 1.00 O ATOM 775 CB ASP A 54 15.106 -3.596 6.028 1.00 1.00 C ATOM 776 CG ASP A 54 16.621 -3.796 5.951 1.00 1.00 C ATOM 777 OD1 ASP A 54 17.178 -4.045 4.872 1.00 1.00 O ATOM 778 OD2 ASP A 54 17.243 -3.685 7.076 1.00 1.00 O ATOM 0 H ASP A 54 12.822 -3.185 4.035 1.00 1.00 H new ATOM 0 HA ASP A 54 14.940 -5.080 4.478 1.00 1.00 H new ATOM 0 HB2 ASP A 54 14.891 -2.531 5.943 1.00 1.00 H new ATOM 0 HB3 ASP A 54 14.762 -3.913 7.012 1.00 1.00 H new ATOM 784 N LEU A 55 12.796 -6.214 5.186 1.00 1.00 N ATOM 785 CA LEU A 55 11.690 -6.971 5.749 1.00 1.00 C ATOM 786 C LEU A 55 12.232 -7.979 6.764 1.00 1.00 C ATOM 787 O LEU A 55 11.561 -8.957 7.092 1.00 1.00 O ATOM 788 CB LEU A 55 10.855 -7.607 4.636 1.00 1.00 C ATOM 789 CG LEU A 55 10.089 -6.636 3.734 1.00 1.00 C ATOM 790 CD1 LEU A 55 11.042 -5.890 2.799 1.00 1.00 C ATOM 791 CD2 LEU A 55 8.981 -7.360 2.966 1.00 1.00 C ATOM 0 H LEU A 55 13.285 -6.679 4.421 1.00 1.00 H new ATOM 0 HA LEU A 55 11.011 -6.310 6.287 1.00 1.00 H new ATOM 0 HB2 LEU A 55 11.516 -8.208 4.011 1.00 1.00 H new ATOM 0 HB3 LEU A 55 10.139 -8.291 5.092 1.00 1.00 H new ATOM 0 HG LEU A 55 9.608 -5.889 4.365 1.00 1.00 H new ATOM 0 HD11 LEU A 55 10.473 -5.207 2.169 1.00 1.00 H new ATOM 0 HD12 LEU A 55 11.762 -5.324 3.390 1.00 1.00 H new ATOM 0 HD13 LEU A 55 11.571 -6.607 2.171 1.00 1.00 H new ATOM 0 HD21 LEU A 55 8.452 -6.648 2.333 1.00 1.00 H new ATOM 0 HD22 LEU A 55 9.419 -8.142 2.345 1.00 1.00 H new ATOM 0 HD23 LEU A 55 8.281 -7.807 3.672 1.00 1.00 H new ATOM 803 N THR A 56 13.441 -7.708 7.233 1.00 1.00 N ATOM 804 CA THR A 56 14.080 -8.579 8.204 1.00 1.00 C ATOM 805 C THR A 56 13.884 -8.034 9.620 1.00 1.00 C ATOM 806 O THR A 56 14.239 -8.692 10.597 1.00 1.00 O ATOM 807 CB THR A 56 15.551 -8.729 7.808 1.00 1.00 C ATOM 808 OG1 THR A 56 15.825 -10.113 8.010 1.00 1.00 O ATOM 809 CG2 THR A 56 16.494 -8.017 8.780 1.00 1.00 C ATOM 0 H THR A 56 13.995 -6.897 6.958 1.00 1.00 H new ATOM 0 HA THR A 56 13.626 -9.570 8.206 1.00 1.00 H new ATOM 0 HB THR A 56 15.699 -8.333 6.803 1.00 1.00 H new ATOM 0 HG1 THR A 56 16.758 -10.299 7.776 1.00 1.00 H new ATOM 0 HG21 THR A 56 17.525 -8.155 8.453 1.00 1.00 H new ATOM 0 HG22 THR A 56 16.259 -6.953 8.801 1.00 1.00 H new ATOM 0 HG23 THR A 56 16.371 -8.436 9.779 1.00 1.00 H new ATOM 817 N ALA A 57 13.321 -6.837 9.686 1.00 1.00 N ATOM 818 CA ALA A 57 13.074 -6.196 10.967 1.00 1.00 C ATOM 819 C ALA A 57 11.721 -6.659 11.511 1.00 1.00 C ATOM 820 O ALA A 57 11.624 -7.083 12.661 1.00 1.00 O ATOM 821 CB ALA A 57 13.146 -4.677 10.800 1.00 1.00 C ATOM 0 H ALA A 57 13.029 -6.294 8.874 1.00 1.00 H new ATOM 0 HA ALA A 57 13.836 -6.481 11.692 1.00 1.00 H new ATOM 0 HB1 ALA A 57 12.961 -4.196 11.761 1.00 1.00 H new ATOM 0 HB2 ALA A 57 14.136 -4.397 10.439 1.00 1.00 H new ATOM 0 HB3 ALA A 57 12.393 -4.354 10.081 1.00 1.00 H new ATOM 827 N LYS A 58 10.712 -6.561 10.659 1.00 1.00 N ATOM 828 CA LYS A 58 9.369 -6.965 11.040 1.00 1.00 C ATOM 829 C LYS A 58 8.630 -5.765 11.637 1.00 1.00 C ATOM 830 O LYS A 58 7.401 -5.744 11.674 1.00 1.00 O ATOM 831 CB LYS A 58 9.418 -8.180 11.968 1.00 1.00 C ATOM 832 CG LYS A 58 8.164 -9.043 11.809 1.00 1.00 C ATOM 833 CD LYS A 58 8.277 -9.953 10.585 1.00 1.00 C ATOM 834 CE LYS A 58 8.699 -11.367 10.990 1.00 1.00 C ATOM 835 NZ LYS A 58 8.453 -12.318 9.883 1.00 1.00 N ATOM 0 H LYS A 58 10.797 -6.208 9.706 1.00 1.00 H new ATOM 0 HA LYS A 58 8.805 -7.284 10.164 1.00 1.00 H new ATOM 0 HB2 LYS A 58 10.304 -8.775 11.747 1.00 1.00 H new ATOM 0 HB3 LYS A 58 9.507 -7.848 13.003 1.00 1.00 H new ATOM 0 HG2 LYS A 58 8.018 -9.648 12.704 1.00 1.00 H new ATOM 0 HG3 LYS A 58 7.287 -8.403 11.711 1.00 1.00 H new ATOM 0 HD2 LYS A 58 7.320 -9.990 10.065 1.00 1.00 H new ATOM 0 HD3 LYS A 58 9.003 -9.539 9.886 1.00 1.00 H new ATOM 0 HE2 LYS A 58 9.756 -11.375 11.256 1.00 1.00 H new ATOM 0 HE3 LYS A 58 8.145 -11.679 11.875 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 8.745 -13.273 10.174 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 7.440 -12.322 9.648 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 9.001 -12.028 9.048 1.00 1.00 H new ATOM 848 N LYS A 59 9.411 -4.795 12.089 1.00 1.00 N ATOM 849 CA LYS A 59 8.847 -3.595 12.682 1.00 1.00 C ATOM 850 C LYS A 59 9.906 -2.491 12.696 1.00 1.00 C ATOM 851 O LYS A 59 11.054 -2.732 13.066 1.00 1.00 O ATOM 852 CB LYS A 59 8.263 -3.903 14.062 1.00 1.00 C ATOM 853 CG LYS A 59 9.351 -3.872 15.138 1.00 1.00 C ATOM 854 CD LYS A 59 8.740 -3.958 16.538 1.00 1.00 C ATOM 855 CE LYS A 59 8.400 -5.405 16.900 1.00 1.00 C ATOM 856 NZ LYS A 59 8.120 -5.525 18.348 1.00 1.00 N ATOM 0 H LYS A 59 10.430 -4.816 12.056 1.00 1.00 H new ATOM 0 HA LYS A 59 8.013 -3.230 12.082 1.00 1.00 H new ATOM 0 HB2 LYS A 59 7.488 -3.176 14.303 1.00 1.00 H new ATOM 0 HB3 LYS A 59 7.787 -4.884 14.049 1.00 1.00 H new ATOM 0 HG2 LYS A 59 10.041 -4.702 14.987 1.00 1.00 H new ATOM 0 HG3 LYS A 59 9.932 -2.954 15.047 1.00 1.00 H new ATOM 0 HD2 LYS A 59 9.439 -3.551 17.269 1.00 1.00 H new ATOM 0 HD3 LYS A 59 7.839 -3.347 16.584 1.00 1.00 H new ATOM 0 HE2 LYS A 59 7.533 -5.735 16.327 1.00 1.00 H new ATOM 0 HE3 LYS A 59 9.229 -6.058 16.629 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 7.891 -6.513 18.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 8.957 -5.230 18.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 7.314 -4.917 18.597 1.00 1.00 H new ATOM 869 N GLY A 60 9.483 -1.304 12.287 1.00 1.00 N ATOM 870 CA GLY A 60 10.381 -0.162 12.247 1.00 1.00 C ATOM 871 C GLY A 60 10.135 0.686 10.997 1.00 1.00 C ATOM 872 O GLY A 60 9.323 0.324 10.148 1.00 1.00 O ATOM 0 H GLY A 60 8.530 -1.108 11.980 1.00 1.00 H new ATOM 0 HA2 GLY A 60 10.239 0.448 13.139 1.00 1.00 H new ATOM 0 HA3 GLY A 60 11.415 -0.507 12.259 1.00 1.00 H new ATOM 876 N GLU A 61 10.852 1.797 10.925 1.00 1.00 N ATOM 877 CA GLU A 61 10.722 2.700 9.793 1.00 1.00 C ATOM 878 C GLU A 61 11.571 2.205 8.620 1.00 1.00 C ATOM 879 O GLU A 61 11.760 2.924 7.640 1.00 1.00 O ATOM 880 CB GLU A 61 11.105 4.128 10.184 1.00 1.00 C ATOM 881 CG GLU A 61 12.376 4.142 11.035 1.00 1.00 C ATOM 882 CD GLU A 61 13.246 5.356 10.703 1.00 1.00 C ATOM 883 OE1 GLU A 61 14.038 5.310 9.751 1.00 1.00 O ATOM 884 OE2 GLU A 61 13.075 6.376 11.475 1.00 1.00 O ATOM 0 H GLU A 61 11.525 2.093 11.632 1.00 1.00 H new ATOM 0 HA GLU A 61 9.678 2.713 9.480 1.00 1.00 H new ATOM 0 HB2 GLU A 61 11.258 4.726 9.286 1.00 1.00 H new ATOM 0 HB3 GLU A 61 10.287 4.589 10.738 1.00 1.00 H new ATOM 0 HG2 GLU A 61 12.110 4.159 12.092 1.00 1.00 H new ATOM 0 HG3 GLU A 61 12.942 3.227 10.864 1.00 1.00 H new ATOM 892 N LYS A 62 12.060 0.982 8.759 1.00 1.00 N ATOM 893 CA LYS A 62 12.884 0.384 7.723 1.00 1.00 C ATOM 894 C LYS A 62 12.287 -0.965 7.318 1.00 1.00 C ATOM 895 O LYS A 62 13.018 -1.895 6.978 1.00 1.00 O ATOM 896 CB LYS A 62 14.342 0.298 8.181 1.00 1.00 C ATOM 897 CG LYS A 62 14.862 1.671 8.613 1.00 1.00 C ATOM 898 CD LYS A 62 16.102 2.065 7.807 1.00 1.00 C ATOM 899 CE LYS A 62 15.756 3.111 6.746 1.00 1.00 C ATOM 900 NZ LYS A 62 16.988 3.737 6.214 1.00 1.00 N ATOM 0 H LYS A 62 11.901 0.389 9.573 1.00 1.00 H new ATOM 0 HA LYS A 62 12.890 1.011 6.832 1.00 1.00 H new ATOM 0 HB2 LYS A 62 14.426 -0.404 9.010 1.00 1.00 H new ATOM 0 HB3 LYS A 62 14.959 -0.090 7.371 1.00 1.00 H new ATOM 0 HG2 LYS A 62 14.081 2.419 8.476 1.00 1.00 H new ATOM 0 HG3 LYS A 62 15.104 1.654 9.676 1.00 1.00 H new ATOM 0 HD2 LYS A 62 16.865 2.460 8.477 1.00 1.00 H new ATOM 0 HD3 LYS A 62 16.525 1.182 7.328 1.00 1.00 H new ATOM 0 HE2 LYS A 62 15.199 2.644 5.934 1.00 1.00 H new ATOM 0 HE3 LYS A 62 15.110 3.875 7.178 1.00 1.00 H new ATOM 0 HZ1 LYS A 62 16.735 4.445 5.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 62 17.505 4.200 6.989 1.00 1.00 H new ATOM 0 HZ3 LYS A 62 17.591 3.007 5.784 1.00 1.00 H new ATOM 913 N SER A 63 10.965 -1.030 7.366 1.00 1.00 N ATOM 914 CA SER A 63 10.261 -2.249 7.008 1.00 1.00 C ATOM 915 C SER A 63 9.100 -1.926 6.065 1.00 1.00 C ATOM 916 O SER A 63 8.543 -0.830 6.113 1.00 1.00 O ATOM 917 CB SER A 63 9.747 -2.974 8.254 1.00 1.00 C ATOM 918 OG SER A 63 9.586 -4.372 8.029 1.00 1.00 O ATOM 0 H SER A 63 10.362 -0.257 7.648 1.00 1.00 H new ATOM 0 HA SER A 63 10.961 -2.911 6.498 1.00 1.00 H new ATOM 0 HB2 SER A 63 10.443 -2.817 9.078 1.00 1.00 H new ATOM 0 HB3 SER A 63 8.793 -2.543 8.557 1.00 1.00 H new ATOM 0 HG SER A 63 9.258 -4.799 8.848 1.00 1.00 H new ATOM 924 N LEU A 64 8.769 -2.900 5.230 1.00 1.00 N ATOM 925 CA LEU A 64 7.685 -2.733 4.278 1.00 1.00 C ATOM 926 C LEU A 64 6.508 -3.618 4.691 1.00 1.00 C ATOM 927 O LEU A 64 5.863 -4.271 3.874 1.00 1.00 O ATOM 928 CB LEU A 64 8.179 -2.993 2.853 1.00 1.00 C ATOM 929 CG LEU A 64 7.164 -2.742 1.735 1.00 1.00 C ATOM 930 CD1 LEU A 64 6.801 -1.258 1.648 1.00 1.00 C ATOM 931 CD2 LEU A 64 7.674 -3.286 0.399 1.00 1.00 C ATOM 0 H LEU A 64 9.233 -3.808 5.193 1.00 1.00 H new ATOM 0 HA LEU A 64 7.328 -1.703 4.285 1.00 1.00 H new ATOM 0 HB2 LEU A 64 9.052 -2.366 2.672 1.00 1.00 H new ATOM 0 HB3 LEU A 64 8.512 -4.029 2.788 1.00 1.00 H new ATOM 0 HG LEU A 64 6.250 -3.284 1.976 1.00 1.00 H new ATOM 0 HD11 LEU A 64 6.078 -1.107 0.846 1.00 1.00 H new ATOM 0 HD12 LEU A 64 6.367 -0.934 2.594 1.00 1.00 H new ATOM 0 HD13 LEU A 64 7.699 -0.675 1.442 1.00 1.00 H new ATOM 0 HD21 LEU A 64 6.934 -3.095 -0.378 1.00 1.00 H new ATOM 0 HD22 LEU A 64 8.610 -2.792 0.138 1.00 1.00 H new ATOM 0 HD23 LEU A 64 7.842 -4.360 0.484 1.00 1.00 H new ATOM 943 N TYR A 65 6.239 -3.624 5.999 1.00 1.00 N ATOM 944 CA TYR A 65 5.156 -4.413 6.551 1.00 1.00 C ATOM 945 C TYR A 65 4.356 -3.573 7.537 1.00 1.00 C ATOM 946 O TYR A 65 3.137 -3.704 7.623 1.00 1.00 O ATOM 947 CB TYR A 65 5.728 -5.651 7.235 1.00 1.00 C ATOM 948 CG TYR A 65 4.829 -6.216 8.309 1.00 1.00 C ATOM 949 CD1 TYR A 65 3.820 -7.126 7.970 1.00 1.00 C ATOM 950 CD2 TYR A 65 5.003 -5.830 9.643 1.00 1.00 C ATOM 951 CE1 TYR A 65 2.986 -7.650 8.965 1.00 1.00 C ATOM 952 CE2 TYR A 65 4.169 -6.353 10.638 1.00 1.00 C ATOM 953 CZ TYR A 65 3.161 -7.263 10.299 1.00 1.00 C ATOM 954 OH TYR A 65 2.348 -7.773 11.269 1.00 1.00 O ATOM 0 H TYR A 65 6.763 -3.087 6.690 1.00 1.00 H new ATOM 0 HA TYR A 65 4.488 -4.732 5.751 1.00 1.00 H new ATOM 0 HB2 TYR A 65 5.911 -6.420 6.484 1.00 1.00 H new ATOM 0 HB3 TYR A 65 6.693 -5.400 7.675 1.00 1.00 H new ATOM 0 HD1 TYR A 65 3.685 -7.424 6.941 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.781 -5.128 9.905 1.00 1.00 H new ATOM 0 HE1 TYR A 65 2.208 -8.352 8.704 1.00 1.00 H new ATOM 0 HE2 TYR A 65 4.303 -6.054 11.667 1.00 1.00 H new ATOM 0 HH TYR A 65 2.605 -7.402 12.139 1.00 1.00 H new ATOM 964 N TYR A 66 5.047 -2.707 8.282 1.00 1.00 N ATOM 965 CA TYR A 66 4.399 -1.853 9.257 1.00 1.00 C ATOM 966 C TYR A 66 3.921 -0.573 8.586 1.00 1.00 C ATOM 967 O TYR A 66 3.413 0.307 9.278 1.00 1.00 O ATOM 968 CB TYR A 66 5.377 -1.539 10.386 1.00 1.00 C ATOM 969 CG TYR A 66 4.801 -0.632 11.447 1.00 1.00 C ATOM 970 CD1 TYR A 66 4.025 -1.169 12.481 1.00 1.00 C ATOM 971 CD2 TYR A 66 5.044 0.746 11.398 1.00 1.00 C ATOM 972 CE1 TYR A 66 3.491 -0.329 13.465 1.00 1.00 C ATOM 973 CE2 TYR A 66 4.511 1.586 12.383 1.00 1.00 C ATOM 974 CZ TYR A 66 3.734 1.049 13.416 1.00 1.00 C ATOM 975 OH TYR A 66 3.215 1.867 14.376 1.00 1.00 O ATOM 0 H TYR A 66 6.058 -2.585 8.222 1.00 1.00 H new ATOM 0 HA TYR A 66 3.533 -2.365 9.676 1.00 1.00 H new ATOM 0 HB2 TYR A 66 5.695 -2.472 10.851 1.00 1.00 H new ATOM 0 HB3 TYR A 66 6.268 -1.073 9.965 1.00 1.00 H new ATOM 0 HD1 TYR A 66 3.838 -2.232 12.519 1.00 1.00 H new ATOM 0 HD2 TYR A 66 5.643 1.161 10.600 1.00 1.00 H new ATOM 0 HE1 TYR A 66 2.892 -0.744 14.262 1.00 1.00 H new ATOM 0 HE2 TYR A 66 4.699 2.649 12.346 1.00 1.00 H new ATOM 0 HH TYR A 66 3.479 2.793 14.195 1.00 1.00 H new ATOM 985 N VAL A 67 4.087 -0.494 7.274 1.00 1.00 N ATOM 986 CA VAL A 67 3.665 0.684 6.536 1.00 1.00 C ATOM 987 C VAL A 67 2.707 0.265 5.419 1.00 1.00 C ATOM 988 O VAL A 67 2.239 1.104 4.651 1.00 1.00 O ATOM 989 CB VAL A 67 4.888 1.445 6.020 1.00 1.00 C ATOM 990 CG1 VAL A 67 5.875 1.730 7.154 1.00 1.00 C ATOM 991 CG2 VAL A 67 5.567 0.683 4.880 1.00 1.00 C ATOM 0 H VAL A 67 4.508 -1.227 6.703 1.00 1.00 H new ATOM 0 HA VAL A 67 3.124 1.369 7.189 1.00 1.00 H new ATOM 0 HB VAL A 67 4.546 2.402 5.626 1.00 1.00 H new ATOM 0 HG11 VAL A 67 6.735 2.272 6.760 1.00 1.00 H new ATOM 0 HG12 VAL A 67 5.386 2.333 7.919 1.00 1.00 H new ATOM 0 HG13 VAL A 67 6.208 0.789 7.591 1.00 1.00 H new ATOM 0 HG21 VAL A 67 6.433 1.246 4.532 1.00 1.00 H new ATOM 0 HG22 VAL A 67 5.889 -0.295 5.237 1.00 1.00 H new ATOM 0 HG23 VAL A 67 4.863 0.555 4.058 1.00 1.00 H new ATOM 1001 N VAL A 68 2.443 -1.032 5.365 1.00 1.00 N ATOM 1002 CA VAL A 68 1.549 -1.573 4.355 1.00 1.00 C ATOM 1003 C VAL A 68 0.193 -1.881 4.992 1.00 1.00 C ATOM 1004 O VAL A 68 -0.853 -1.536 4.447 1.00 1.00 O ATOM 1005 CB VAL A 68 2.189 -2.793 3.689 1.00 1.00 C ATOM 1006 CG1 VAL A 68 1.121 -3.777 3.207 1.00 1.00 C ATOM 1007 CG2 VAL A 68 3.106 -2.373 2.539 1.00 1.00 C ATOM 0 H VAL A 68 2.833 -1.725 6.005 1.00 1.00 H new ATOM 0 HA VAL A 68 1.378 -0.842 3.565 1.00 1.00 H new ATOM 0 HB VAL A 68 2.800 -3.300 4.436 1.00 1.00 H new ATOM 0 HG11 VAL A 68 1.602 -4.635 2.738 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.527 -4.114 4.056 1.00 1.00 H new ATOM 0 HG13 VAL A 68 0.472 -3.284 2.483 1.00 1.00 H new ATOM 0 HG21 VAL A 68 3.548 -3.259 2.083 1.00 1.00 H new ATOM 0 HG22 VAL A 68 2.527 -1.831 1.791 1.00 1.00 H new ATOM 0 HG23 VAL A 68 3.898 -1.729 2.922 1.00 1.00 H new ATOM 1017 N HIS A 69 0.252 -2.536 6.152 1.00 1.00 N ATOM 1018 CA HIS A 69 -0.936 -2.917 6.907 1.00 1.00 C ATOM 1019 C HIS A 69 -1.253 -1.838 7.959 1.00 1.00 C ATOM 1020 O HIS A 69 -2.117 -0.991 7.736 1.00 1.00 O ATOM 1021 CB HIS A 69 -0.727 -4.323 7.488 1.00 1.00 C ATOM 1022 CG HIS A 69 -0.273 -5.395 6.525 1.00 1.00 C ATOM 1023 ND1 HIS A 69 1.015 -5.611 6.243 1.00 1.00 N ATOM 1024 CD2 HIS A 69 -0.984 -6.310 5.785 1.00 1.00 C ATOM 1025 CE1 HIS A 69 1.104 -6.619 5.361 1.00 1.00 C ATOM 1026 NE2 HIS A 69 -0.102 -7.088 5.045 1.00 1.00 N ATOM 0 H HIS A 69 1.128 -2.817 6.593 1.00 1.00 H new ATOM 0 HA HIS A 69 -1.815 -2.972 6.265 1.00 1.00 H new ATOM 0 HB2 HIS A 69 0.007 -4.254 8.291 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -1.664 -4.647 7.940 1.00 1.00 H new ATOM 0 HD1 HIS A 69 1.802 -5.094 6.634 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -2.059 -6.409 5.780 1.00 1.00 H new ATOM 0 HE1 HIS A 69 2.032 -7.000 4.960 1.00 1.00 H new ATOM 1034 N ALA A 70 -0.538 -1.905 9.073 1.00 1.00 N ATOM 1035 CA ALA A 70 -0.735 -0.947 10.148 1.00 1.00 C ATOM 1036 C ALA A 70 -2.017 -0.153 9.889 1.00 1.00 C ATOM 1037 O ALA A 70 -1.990 0.870 9.207 1.00 1.00 O ATOM 1038 CB ALA A 70 0.497 -0.046 10.260 1.00 1.00 C ATOM 0 H ALA A 70 0.179 -2.608 9.254 1.00 1.00 H new ATOM 0 HA ALA A 70 -0.852 -1.459 11.103 1.00 1.00 H new ATOM 0 HB1 ALA A 70 0.350 0.673 11.066 1.00 1.00 H new ATOM 0 HB2 ALA A 70 1.375 -0.655 10.473 1.00 1.00 H new ATOM 0 HB3 ALA A 70 0.644 0.487 9.321 1.00 1.00 H new ATOM 1044 N ARG A 71 -3.108 -0.655 10.448 1.00 1.00 N ATOM 1045 CA ARG A 71 -4.398 -0.005 10.286 1.00 1.00 C ATOM 1046 C ARG A 71 -4.676 0.924 11.470 1.00 1.00 C ATOM 1047 O ARG A 71 -5.828 1.262 11.741 1.00 1.00 O ATOM 1048 CB ARG A 71 -5.524 -1.035 10.179 1.00 1.00 C ATOM 1049 CG ARG A 71 -5.848 -1.638 11.548 1.00 1.00 C ATOM 1050 CD ARG A 71 -4.818 -2.700 11.936 1.00 1.00 C ATOM 1051 NE ARG A 71 -5.476 -3.791 12.690 1.00 1.00 N ATOM 1052 CZ ARG A 71 -4.965 -5.034 12.824 1.00 1.00 C ATOM 1053 NH1 ARG A 71 -3.783 -5.353 12.255 1.00 1.00 N ATOM 1054 NH2 ARG A 71 -5.638 -5.931 13.519 1.00 1.00 N ATOM 0 H ARG A 71 -3.126 -1.504 11.013 1.00 1.00 H new ATOM 0 HA ARG A 71 -4.364 0.576 9.364 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -6.415 -0.563 9.765 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -5.233 -1.827 9.489 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -5.865 -0.851 12.301 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -6.843 -2.082 11.528 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -4.342 -3.101 11.041 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -4.031 -2.251 12.542 1.00 1.00 H new ATOM 0 HE ARG A 71 -6.371 -3.591 13.136 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -3.269 -4.653 11.719 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -3.404 -6.294 12.361 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -6.530 -5.681 13.945 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -5.266 -6.874 13.630 1.00 1.00 H new ATOM 1064 N GLY A 72 -3.603 1.310 12.144 1.00 1.00 N ATOM 1065 CA GLY A 72 -3.717 2.193 13.292 1.00 1.00 C ATOM 1066 C GLY A 72 -3.310 3.622 12.927 1.00 1.00 C ATOM 1067 O GLY A 72 -3.341 4.001 11.757 1.00 1.00 O ATOM 0 H GLY A 72 -2.650 1.027 11.917 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -4.743 2.186 13.660 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.085 1.827 14.101 1.00 1.00 H new ATOM 1071 N GLU A 73 -2.938 4.376 13.951 1.00 1.00 N ATOM 1072 CA GLU A 73 -2.525 5.755 13.753 1.00 1.00 C ATOM 1073 C GLU A 73 -1.049 5.815 13.356 1.00 1.00 C ATOM 1074 O GLU A 73 -0.169 5.628 14.194 1.00 1.00 O ATOM 1075 CB GLU A 73 -2.790 6.592 15.006 1.00 1.00 C ATOM 1076 CG GLU A 73 -4.292 6.790 15.225 1.00 1.00 C ATOM 1077 CD GLU A 73 -4.615 8.258 15.511 1.00 1.00 C ATOM 1078 OE1 GLU A 73 -4.408 8.731 16.638 1.00 1.00 O ATOM 1079 OE2 GLU A 73 -5.097 8.915 14.510 1.00 1.00 O ATOM 0 H GLU A 73 -2.914 4.058 14.920 1.00 1.00 H new ATOM 0 HA GLU A 73 -3.117 6.178 12.941 1.00 1.00 H new ATOM 0 HB2 GLU A 73 -2.354 6.100 15.875 1.00 1.00 H new ATOM 0 HB3 GLU A 73 -2.302 7.562 14.910 1.00 1.00 H new ATOM 0 HG2 GLU A 73 -4.839 6.459 14.342 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -4.627 6.171 16.058 1.00 1.00 H new ATOM 1087 N LEU A 74 -0.823 6.078 12.077 1.00 1.00 N ATOM 1088 CA LEU A 74 0.531 6.166 11.558 1.00 1.00 C ATOM 1089 C LEU A 74 0.814 7.605 11.123 1.00 1.00 C ATOM 1090 O LEU A 74 -0.042 8.478 11.260 1.00 1.00 O ATOM 1091 CB LEU A 74 0.748 5.134 10.449 1.00 1.00 C ATOM 1092 CG LEU A 74 0.522 3.672 10.840 1.00 1.00 C ATOM 1093 CD1 LEU A 74 0.632 2.756 9.620 1.00 1.00 C ATOM 1094 CD2 LEU A 74 1.475 3.251 11.961 1.00 1.00 C ATOM 0 H LEU A 74 -1.556 6.233 11.385 1.00 1.00 H new ATOM 0 HA LEU A 74 1.254 5.920 12.336 1.00 1.00 H new ATOM 0 HB2 LEU A 74 0.082 5.375 9.620 1.00 1.00 H new ATOM 0 HB3 LEU A 74 1.768 5.237 10.079 1.00 1.00 H new ATOM 0 HG LEU A 74 -0.493 3.574 11.226 1.00 1.00 H new ATOM 0 HD11 LEU A 74 0.467 1.723 9.925 1.00 1.00 H new ATOM 0 HD12 LEU A 74 -0.118 3.041 8.882 1.00 1.00 H new ATOM 0 HD13 LEU A 74 1.626 2.851 9.182 1.00 1.00 H new ATOM 0 HD21 LEU A 74 1.294 2.208 12.220 1.00 1.00 H new ATOM 0 HD22 LEU A 74 2.505 3.368 11.625 1.00 1.00 H new ATOM 0 HD23 LEU A 74 1.306 3.877 12.837 1.00 1.00 H new ATOM 1106 N LYS A 75 2.018 7.808 10.608 1.00 1.00 N ATOM 1107 CA LYS A 75 2.424 9.126 10.152 1.00 1.00 C ATOM 1108 C LYS A 75 1.519 9.563 8.998 1.00 1.00 C ATOM 1109 O LYS A 75 0.976 10.667 9.014 1.00 1.00 O ATOM 1110 CB LYS A 75 3.914 9.137 9.803 1.00 1.00 C ATOM 1111 CG LYS A 75 4.462 10.565 9.783 1.00 1.00 C ATOM 1112 CD LYS A 75 5.320 10.841 11.019 1.00 1.00 C ATOM 1113 CE LYS A 75 4.996 12.212 11.617 1.00 1.00 C ATOM 1114 NZ LYS A 75 5.014 12.149 13.095 1.00 1.00 N ATOM 0 H LYS A 75 2.725 7.081 10.497 1.00 1.00 H new ATOM 0 HA LYS A 75 2.301 9.859 10.949 1.00 1.00 H new ATOM 0 HB2 LYS A 75 4.466 8.542 10.531 1.00 1.00 H new ATOM 0 HB3 LYS A 75 4.067 8.672 8.829 1.00 1.00 H new ATOM 0 HG2 LYS A 75 5.056 10.718 8.882 1.00 1.00 H new ATOM 0 HG3 LYS A 75 3.636 11.275 9.744 1.00 1.00 H new ATOM 0 HD2 LYS A 75 5.149 10.065 11.765 1.00 1.00 H new ATOM 0 HD3 LYS A 75 6.375 10.798 10.750 1.00 1.00 H new ATOM 0 HE2 LYS A 75 5.721 12.948 11.269 1.00 1.00 H new ATOM 0 HE3 LYS A 75 4.016 12.543 11.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 75 4.792 13.087 13.485 1.00 1.00 H new ATOM 0 HZ2 LYS A 75 4.305 11.462 13.422 1.00 1.00 H new ATOM 0 HZ3 LYS A 75 5.957 11.854 13.418 1.00 1.00 H new ATOM 1127 N HIS A 76 1.385 8.675 8.024 1.00 1.00 N ATOM 1128 CA HIS A 76 0.556 8.955 6.864 1.00 1.00 C ATOM 1129 C HIS A 76 -0.710 8.097 6.919 1.00 1.00 C ATOM 1130 O HIS A 76 -1.295 7.916 7.986 1.00 1.00 O ATOM 1131 CB HIS A 76 1.348 8.760 5.570 1.00 1.00 C ATOM 1132 CG HIS A 76 2.730 9.369 5.598 1.00 1.00 C ATOM 1133 ND1 HIS A 76 3.881 8.609 5.707 1.00 1.00 N ATOM 1134 CD2 HIS A 76 3.132 10.670 5.530 1.00 1.00 C ATOM 1135 CE1 HIS A 76 4.924 9.426 5.704 1.00 1.00 C ATOM 1136 NE2 HIS A 76 4.458 10.703 5.595 1.00 1.00 N ATOM 0 H HIS A 76 1.837 7.761 8.014 1.00 1.00 H new ATOM 0 HA HIS A 76 0.246 10.000 6.878 1.00 1.00 H new ATOM 0 HB2 HIS A 76 1.437 7.693 5.368 1.00 1.00 H new ATOM 0 HB3 HIS A 76 0.787 9.196 4.743 1.00 1.00 H new ATOM 0 HD1 HIS A 76 3.920 7.592 5.778 1.00 1.00 H new ATOM 0 HD2 HIS A 76 2.482 11.528 5.439 1.00 1.00 H new ATOM 0 HE1 HIS A 76 5.961 9.132 5.775 1.00 1.00 H new ATOM 1144 N THR A 77 -1.095 7.592 5.757 1.00 1.00 N ATOM 1145 CA THR A 77 -2.281 6.758 5.659 1.00 1.00 C ATOM 1146 C THR A 77 -1.932 5.407 5.031 1.00 1.00 C ATOM 1147 O THR A 77 -1.726 5.315 3.822 1.00 1.00 O ATOM 1148 CB THR A 77 -3.343 7.535 4.879 1.00 1.00 C ATOM 1149 OG1 THR A 77 -3.401 8.798 5.535 1.00 1.00 O ATOM 1150 CG2 THR A 77 -4.746 6.954 5.062 1.00 1.00 C ATOM 0 H THR A 77 -0.607 7.744 4.875 1.00 1.00 H new ATOM 0 HA THR A 77 -2.685 6.528 6.645 1.00 1.00 H new ATOM 0 HB THR A 77 -3.087 7.536 3.820 1.00 1.00 H new ATOM 0 HG1 THR A 77 -4.065 9.367 5.092 1.00 1.00 H new ATOM 0 HG21 THR A 77 -5.461 7.543 4.487 1.00 1.00 H new ATOM 0 HG22 THR A 77 -4.761 5.922 4.712 1.00 1.00 H new ATOM 0 HG23 THR A 77 -5.017 6.983 6.117 1.00 1.00 H new ATOM 1158 N SER A 78 -1.877 4.392 5.881 1.00 1.00 N ATOM 1159 CA SER A 78 -1.556 3.050 5.424 1.00 1.00 C ATOM 1160 C SER A 78 -2.684 2.516 4.538 1.00 1.00 C ATOM 1161 O SER A 78 -3.777 3.080 4.511 1.00 1.00 O ATOM 1162 CB SER A 78 -1.319 2.108 6.606 1.00 1.00 C ATOM 1163 OG SER A 78 -1.466 2.774 7.857 1.00 1.00 O ATOM 0 H SER A 78 -2.049 4.472 6.883 1.00 1.00 H new ATOM 0 HA SER A 78 -0.636 3.097 4.842 1.00 1.00 H new ATOM 0 HB2 SER A 78 -2.022 1.276 6.553 1.00 1.00 H new ATOM 0 HB3 SER A 78 -0.317 1.684 6.537 1.00 1.00 H new ATOM 0 HG SER A 78 -1.960 2.199 8.478 1.00 1.00 H new ATOM 1169 N CYS A 79 -2.379 1.436 3.835 1.00 1.00 N ATOM 1170 CA CYS A 79 -3.353 0.819 2.950 1.00 1.00 C ATOM 1171 C CYS A 79 -4.544 0.360 3.792 1.00 1.00 C ATOM 1172 O CYS A 79 -5.645 0.894 3.661 1.00 1.00 O ATOM 1173 CB CYS A 79 -2.741 -0.333 2.150 1.00 1.00 C ATOM 1174 SG CYS A 79 -1.096 0.020 1.432 1.00 1.00 S ATOM 0 H CYS A 79 -1.471 0.972 3.860 1.00 1.00 H new ATOM 0 HA CYS A 79 -3.690 1.547 2.212 1.00 1.00 H new ATOM 0 HB2 CYS A 79 -2.659 -1.204 2.800 1.00 1.00 H new ATOM 0 HB3 CYS A 79 -3.424 -0.600 1.344 1.00 1.00 H new ATOM 1179 N LEU A 80 -4.285 -0.625 4.640 1.00 1.00 N ATOM 1180 CA LEU A 80 -5.322 -1.162 5.504 1.00 1.00 C ATOM 1181 C LEU A 80 -6.054 -0.008 6.192 1.00 1.00 C ATOM 1182 O LEU A 80 -7.191 -0.165 6.634 1.00 1.00 O ATOM 1183 CB LEU A 80 -4.733 -2.184 6.477 1.00 1.00 C ATOM 1184 CG LEU A 80 -4.834 -3.651 6.053 1.00 1.00 C ATOM 1185 CD1 LEU A 80 -6.195 -4.238 6.433 1.00 1.00 C ATOM 1186 CD2 LEU A 80 -4.537 -3.812 4.561 1.00 1.00 C ATOM 0 H LEU A 80 -3.371 -1.065 4.747 1.00 1.00 H new ATOM 0 HA LEU A 80 -6.063 -1.706 4.918 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -3.681 -1.943 6.633 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -5.232 -2.069 7.439 1.00 1.00 H new ATOM 0 HG LEU A 80 -4.076 -4.217 6.595 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -6.241 -5.281 6.121 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -6.329 -4.176 7.513 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -6.985 -3.675 5.936 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -4.616 -4.864 4.286 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -5.255 -3.231 3.982 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -3.528 -3.456 4.350 1.00 1.00 H new ATOM 1198 N ALA A 81 -5.372 1.126 6.261 1.00 1.00 N ATOM 1199 CA ALA A 81 -5.944 2.306 6.889 1.00 1.00 C ATOM 1200 C ALA A 81 -7.150 2.777 6.075 1.00 1.00 C ATOM 1201 O ALA A 81 -8.289 2.668 6.527 1.00 1.00 O ATOM 1202 CB ALA A 81 -4.869 3.387 7.017 1.00 1.00 C ATOM 0 H ALA A 81 -4.429 1.253 5.893 1.00 1.00 H new ATOM 0 HA ALA A 81 -6.295 2.074 7.895 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -5.297 4.272 7.488 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -4.047 3.013 7.628 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -4.495 3.648 6.027 1.00 1.00 H new ATOM 1208 N CYS A 82 -6.860 3.290 4.889 1.00 1.00 N ATOM 1209 CA CYS A 82 -7.907 3.778 4.007 1.00 1.00 C ATOM 1210 C CYS A 82 -8.960 2.679 3.858 1.00 1.00 C ATOM 1211 O CYS A 82 -10.118 2.861 4.228 1.00 1.00 O ATOM 1212 CB CYS A 82 -7.347 4.220 2.654 1.00 1.00 C ATOM 1213 SG CYS A 82 -8.706 4.800 1.574 1.00 1.00 S ATOM 0 H CYS A 82 -5.914 3.379 4.517 1.00 1.00 H new ATOM 0 HA CYS A 82 -8.368 4.665 4.442 1.00 1.00 H new ATOM 0 HB2 CYS A 82 -6.618 5.018 2.796 1.00 1.00 H new ATOM 0 HB3 CYS A 82 -6.823 3.390 2.179 1.00 1.00 H new ATOM 1218 N HIS A 83 -8.519 1.547 3.309 1.00 1.00 N ATOM 1219 CA HIS A 83 -9.377 0.388 3.086 1.00 1.00 C ATOM 1220 C HIS A 83 -10.361 0.236 4.260 1.00 1.00 C ATOM 1221 O HIS A 83 -11.469 -0.266 4.077 1.00 1.00 O ATOM 1222 CB HIS A 83 -8.494 -0.844 2.838 1.00 1.00 C ATOM 1223 CG HIS A 83 -7.932 -1.007 1.444 1.00 1.00 C ATOM 1224 ND1 HIS A 83 -7.598 -2.198 0.938 1.00 1.00 N ATOM 1225 CD2 HIS A 83 -7.657 -0.084 0.464 1.00 1.00 C ATOM 1226 CE1 HIS A 83 -7.132 -2.024 -0.308 1.00 1.00 C ATOM 1227 NE2 HIS A 83 -7.147 -0.738 -0.652 1.00 1.00 N ATOM 0 H HIS A 83 -7.555 1.410 3.007 1.00 1.00 H new ATOM 0 HA HIS A 83 -9.995 0.514 2.197 1.00 1.00 H new ATOM 0 HB2 HIS A 83 -7.660 -0.812 3.539 1.00 1.00 H new ATOM 0 HB3 HIS A 83 -9.077 -1.734 3.076 1.00 1.00 H new ATOM 0 HD1 HIS A 83 -7.683 -3.093 1.420 1.00 1.00 H new ATOM 0 HD2 HIS A 83 -7.812 0.981 0.547 1.00 1.00 H new ATOM 0 HE1 HIS A 83 -6.789 -2.823 -0.949 1.00 1.00 H new ATOM 1235 N SER A 84 -9.921 0.677 5.430 1.00 1.00 N ATOM 1236 CA SER A 84 -10.750 0.594 6.620 1.00 1.00 C ATOM 1237 C SER A 84 -12.050 1.372 6.409 1.00 1.00 C ATOM 1238 O SER A 84 -13.135 0.858 6.674 1.00 1.00 O ATOM 1239 CB SER A 84 -10.006 1.127 7.847 1.00 1.00 C ATOM 1240 OG SER A 84 -10.594 0.679 9.065 1.00 1.00 O ATOM 0 H SER A 84 -9.001 1.093 5.579 1.00 1.00 H new ATOM 0 HA SER A 84 -10.987 -0.455 6.798 1.00 1.00 H new ATOM 0 HB2 SER A 84 -8.965 0.806 7.807 1.00 1.00 H new ATOM 0 HB3 SER A 84 -10.004 2.217 7.825 1.00 1.00 H new ATOM 0 HG SER A 84 -10.089 1.039 9.824 1.00 1.00 H new ATOM 1246 N LYS A 85 -11.897 2.599 5.933 1.00 1.00 N ATOM 1247 CA LYS A 85 -13.045 3.453 5.682 1.00 1.00 C ATOM 1248 C LYS A 85 -13.852 2.886 4.513 1.00 1.00 C ATOM 1249 O LYS A 85 -15.081 2.944 4.516 1.00 1.00 O ATOM 1250 CB LYS A 85 -12.600 4.903 5.476 1.00 1.00 C ATOM 1251 CG LYS A 85 -12.142 5.136 4.036 1.00 1.00 C ATOM 1252 CD LYS A 85 -13.301 5.618 3.162 1.00 1.00 C ATOM 1253 CE LYS A 85 -12.785 6.349 1.921 1.00 1.00 C ATOM 1254 NZ LYS A 85 -13.316 7.730 1.875 1.00 1.00 N ATOM 0 H LYS A 85 -10.995 3.022 5.715 1.00 1.00 H new ATOM 0 HA LYS A 85 -13.706 3.466 6.549 1.00 1.00 H new ATOM 0 HB2 LYS A 85 -13.423 5.577 5.713 1.00 1.00 H new ATOM 0 HB3 LYS A 85 -11.787 5.139 6.163 1.00 1.00 H new ATOM 0 HG2 LYS A 85 -11.340 5.874 4.021 1.00 1.00 H new ATOM 0 HG3 LYS A 85 -11.733 4.212 3.627 1.00 1.00 H new ATOM 0 HD2 LYS A 85 -13.911 4.767 2.860 1.00 1.00 H new ATOM 0 HD3 LYS A 85 -13.944 6.283 3.739 1.00 1.00 H new ATOM 0 HE2 LYS A 85 -11.695 6.372 1.932 1.00 1.00 H new ATOM 0 HE3 LYS A 85 -13.083 5.808 1.023 1.00 1.00 H new ATOM 0 HZ1 LYS A 85 -12.956 8.212 1.027 1.00 1.00 H new ATOM 0 HZ2 LYS A 85 -14.355 7.701 1.843 1.00 1.00 H new ATOM 0 HZ3 LYS A 85 -13.010 8.248 2.723 1.00 1.00 H new ATOM 1267 N VAL A 86 -13.129 2.350 3.541 1.00 1.00 N ATOM 1268 CA VAL A 86 -13.762 1.772 2.368 1.00 1.00 C ATOM 1269 C VAL A 86 -14.739 0.679 2.807 1.00 1.00 C ATOM 1270 O VAL A 86 -15.883 0.647 2.357 1.00 1.00 O ATOM 1271 CB VAL A 86 -12.696 1.265 1.394 1.00 1.00 C ATOM 1272 CG1 VAL A 86 -13.337 0.532 0.214 1.00 1.00 C ATOM 1273 CG2 VAL A 86 -11.806 2.411 0.911 1.00 1.00 C ATOM 0 H VAL A 86 -12.110 2.304 3.542 1.00 1.00 H new ATOM 0 HA VAL A 86 -14.338 2.528 1.834 1.00 1.00 H new ATOM 0 HB VAL A 86 -12.065 0.554 1.927 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.558 0.182 -0.463 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.908 -0.320 0.582 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -14.002 1.212 -0.319 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -11.057 2.024 0.220 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -12.417 3.157 0.403 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -11.309 2.870 1.765 1.00 1.00 H new ATOM 1283 N VAL A 87 -14.251 -0.190 3.681 1.00 1.00 N ATOM 1284 CA VAL A 87 -15.067 -1.281 4.186 1.00 1.00 C ATOM 1285 C VAL A 87 -16.348 -0.713 4.800 1.00 1.00 C ATOM 1286 O VAL A 87 -17.339 -1.426 4.948 1.00 1.00 O ATOM 1287 CB VAL A 87 -14.257 -2.128 5.169 1.00 1.00 C ATOM 1288 CG1 VAL A 87 -15.174 -3.016 6.012 1.00 1.00 C ATOM 1289 CG2 VAL A 87 -13.206 -2.964 4.437 1.00 1.00 C ATOM 0 H VAL A 87 -13.301 -0.160 4.052 1.00 1.00 H new ATOM 0 HA VAL A 87 -15.363 -1.944 3.373 1.00 1.00 H new ATOM 0 HB VAL A 87 -13.734 -1.450 5.843 1.00 1.00 H new ATOM 0 HG11 VAL A 87 -14.573 -3.608 6.702 1.00 1.00 H new ATOM 0 HG12 VAL A 87 -15.866 -2.392 6.577 1.00 1.00 H new ATOM 0 HG13 VAL A 87 -15.737 -3.682 5.358 1.00 1.00 H new ATOM 0 HG21 VAL A 87 -12.645 -3.556 5.159 1.00 1.00 H new ATOM 0 HG22 VAL A 87 -13.699 -3.629 3.728 1.00 1.00 H new ATOM 0 HG23 VAL A 87 -12.524 -2.303 3.901 1.00 1.00 H new ATOM 1299 N ALA A 88 -16.286 0.566 5.141 1.00 1.00 N ATOM 1300 CA ALA A 88 -17.429 1.238 5.735 1.00 1.00 C ATOM 1301 C ALA A 88 -18.349 1.749 4.625 1.00 1.00 C ATOM 1302 O ALA A 88 -19.279 2.510 4.886 1.00 1.00 O ATOM 1303 CB ALA A 88 -16.941 2.363 6.651 1.00 1.00 C ATOM 0 H ALA A 88 -15.462 1.154 5.017 1.00 1.00 H new ATOM 0 HA ALA A 88 -18.005 0.545 6.348 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -17.799 2.867 7.097 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -16.316 1.945 7.440 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -16.361 3.080 6.070 1.00 1.00 H new ATOM 1309 N GLU A 89 -18.058 1.309 3.409 1.00 1.00 N ATOM 1310 CA GLU A 89 -18.848 1.712 2.258 1.00 1.00 C ATOM 1311 C GLU A 89 -19.352 0.480 1.503 1.00 1.00 C ATOM 1312 O GLU A 89 -20.521 0.414 1.127 1.00 1.00 O ATOM 1313 CB GLU A 89 -18.044 2.629 1.336 1.00 1.00 C ATOM 1314 CG GLU A 89 -18.921 3.753 0.779 1.00 1.00 C ATOM 1315 CD GLU A 89 -19.257 4.776 1.866 1.00 1.00 C ATOM 1316 OE1 GLU A 89 -18.404 5.087 2.710 1.00 1.00 O ATOM 1317 OE2 GLU A 89 -20.454 5.254 1.813 1.00 1.00 O ATOM 0 H GLU A 89 -17.286 0.677 3.196 1.00 1.00 H new ATOM 0 HA GLU A 89 -19.711 2.275 2.613 1.00 1.00 H new ATOM 0 HB2 GLU A 89 -17.204 3.056 1.884 1.00 1.00 H new ATOM 0 HB3 GLU A 89 -17.626 2.048 0.514 1.00 1.00 H new ATOM 0 HG2 GLU A 89 -18.405 4.248 -0.044 1.00 1.00 H new ATOM 0 HG3 GLU A 89 -19.841 3.334 0.372 1.00 1.00 H new ATOM 1325 N LYS A 90 -18.445 -0.465 1.305 1.00 1.00 N ATOM 1326 CA LYS A 90 -18.783 -1.691 0.601 1.00 1.00 C ATOM 1327 C LYS A 90 -18.492 -2.889 1.506 1.00 1.00 C ATOM 1328 O LYS A 90 -17.514 -3.613 1.336 1.00 1.00 O ATOM 1329 CB LYS A 90 -18.065 -1.750 -0.748 1.00 1.00 C ATOM 1330 CG LYS A 90 -18.967 -2.358 -1.824 1.00 1.00 C ATOM 1331 CD LYS A 90 -19.038 -1.453 -3.056 1.00 1.00 C ATOM 1332 CE LYS A 90 -20.409 -0.784 -3.167 1.00 1.00 C ATOM 1333 NZ LYS A 90 -20.339 0.622 -2.710 1.00 1.00 N ATOM 0 H LYS A 90 -17.476 -0.407 1.620 1.00 1.00 H new ATOM 0 HA LYS A 90 -19.848 -1.717 0.370 1.00 1.00 H new ATOM 0 HB2 LYS A 90 -17.762 -0.746 -1.047 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -17.155 -2.343 -0.654 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -18.587 -3.339 -2.110 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -19.969 -2.509 -1.421 1.00 1.00 H new ATOM 0 HD2 LYS A 90 -18.261 -0.691 -2.997 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -18.842 -2.039 -3.954 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -20.755 -0.820 -4.200 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -21.137 -1.331 -2.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -21.278 1.061 -2.792 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -20.030 0.649 -1.717 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -19.660 1.145 -3.299 1.00 1.00 H new ATOM 1346 N PRO A 91 -19.378 -3.085 2.486 1.00 1.00 N ATOM 1347 CA PRO A 91 -19.299 -4.157 3.454 1.00 1.00 C ATOM 1348 C PRO A 91 -18.976 -5.464 2.744 1.00 1.00 C ATOM 1349 O PRO A 91 -18.461 -6.378 3.386 1.00 1.00 O ATOM 1350 CB PRO A 91 -20.685 -4.210 4.094 1.00 1.00 C ATOM 1351 CG PRO A 91 -21.213 -2.849 3.949 1.00 1.00 C ATOM 1352 CD PRO A 91 -20.540 -2.253 2.715 1.00 1.00 C ATOM 0 HA PRO A 91 -18.519 -3.999 4.199 1.00 1.00 H new ATOM 0 HB2 PRO A 91 -21.324 -4.938 3.595 1.00 1.00 H new ATOM 0 HB3 PRO A 91 -20.626 -4.503 5.142 1.00 1.00 H new ATOM 0 HG2 PRO A 91 -22.297 -2.864 3.831 1.00 1.00 H new ATOM 0 HG3 PRO A 91 -20.997 -2.252 4.835 1.00 1.00 H new ATOM 0 HD2 PRO A 91 -21.210 -2.265 1.855 1.00 1.00 H new ATOM 0 HD3 PRO A 91 -20.255 -1.214 2.883 1.00 1.00 H new ATOM 1360 N GLU A 92 -19.281 -5.531 1.456 1.00 1.00 N ATOM 1361 CA GLU A 92 -19.015 -6.734 0.686 1.00 1.00 C ATOM 1362 C GLU A 92 -17.577 -6.723 0.164 1.00 1.00 C ATOM 1363 O GLU A 92 -17.254 -7.429 -0.791 1.00 1.00 O ATOM 1364 CB GLU A 92 -20.014 -6.881 -0.463 1.00 1.00 C ATOM 1365 CG GLU A 92 -19.852 -5.749 -1.480 1.00 1.00 C ATOM 1366 CD GLU A 92 -21.196 -5.384 -2.113 1.00 1.00 C ATOM 1367 OE1 GLU A 92 -22.196 -5.226 -1.398 1.00 1.00 O ATOM 1368 OE2 GLU A 92 -21.178 -5.263 -3.398 1.00 1.00 O ATOM 0 H GLU A 92 -19.710 -4.772 0.927 1.00 1.00 H new ATOM 0 HA GLU A 92 -19.136 -7.596 1.342 1.00 1.00 H new ATOM 0 HB2 GLU A 92 -19.867 -7.842 -0.957 1.00 1.00 H new ATOM 0 HB3 GLU A 92 -21.030 -6.877 -0.069 1.00 1.00 H new ATOM 0 HG2 GLU A 92 -19.427 -4.873 -0.990 1.00 1.00 H new ATOM 0 HG3 GLU A 92 -19.150 -6.051 -2.257 1.00 1.00 H new ATOM 1376 N LEU A 93 -16.751 -5.915 0.813 1.00 1.00 N ATOM 1377 CA LEU A 93 -15.355 -5.804 0.426 1.00 1.00 C ATOM 1378 C LEU A 93 -14.473 -5.958 1.666 1.00 1.00 C ATOM 1379 O LEU A 93 -13.282 -5.654 1.627 1.00 1.00 O ATOM 1380 CB LEU A 93 -15.115 -4.502 -0.342 1.00 1.00 C ATOM 1381 CG LEU A 93 -15.156 -4.606 -1.868 1.00 1.00 C ATOM 1382 CD1 LEU A 93 -16.580 -4.869 -2.361 1.00 1.00 C ATOM 1383 CD2 LEU A 93 -14.543 -3.364 -2.518 1.00 1.00 C ATOM 0 H LEU A 93 -17.022 -5.331 1.604 1.00 1.00 H new ATOM 0 HA LEU A 93 -15.084 -6.607 -0.260 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.863 -3.774 -0.027 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -14.142 -4.106 -0.051 1.00 1.00 H new ATOM 0 HG LEU A 93 -14.549 -5.460 -2.170 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -16.581 -4.939 -3.449 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -16.945 -5.805 -1.937 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -17.230 -4.051 -2.049 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -14.584 -3.463 -3.603 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -15.103 -2.480 -2.213 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -13.505 -3.263 -2.202 1.00 1.00 H new ATOM 1395 N LYS A 94 -15.092 -6.431 2.738 1.00 1.00 N ATOM 1396 CA LYS A 94 -14.377 -6.630 3.988 1.00 1.00 C ATOM 1397 C LYS A 94 -13.254 -7.646 3.772 1.00 1.00 C ATOM 1398 O LYS A 94 -12.084 -7.340 4.000 1.00 1.00 O ATOM 1399 CB LYS A 94 -15.349 -7.016 5.105 1.00 1.00 C ATOM 1400 CG LYS A 94 -14.603 -7.276 6.415 1.00 1.00 C ATOM 1401 CD LYS A 94 -15.560 -7.236 7.608 1.00 1.00 C ATOM 1402 CE LYS A 94 -14.892 -6.593 8.826 1.00 1.00 C ATOM 1403 NZ LYS A 94 -15.662 -6.887 10.055 1.00 1.00 N ATOM 0 H LYS A 94 -16.080 -6.682 2.767 1.00 1.00 H new ATOM 0 HA LYS A 94 -13.908 -5.700 4.311 1.00 1.00 H new ATOM 0 HB2 LYS A 94 -16.078 -6.218 5.249 1.00 1.00 H new ATOM 0 HB3 LYS A 94 -15.905 -7.908 4.816 1.00 1.00 H new ATOM 0 HG2 LYS A 94 -14.111 -8.248 6.371 1.00 1.00 H new ATOM 0 HG3 LYS A 94 -13.821 -6.529 6.547 1.00 1.00 H new ATOM 0 HD2 LYS A 94 -16.456 -6.675 7.342 1.00 1.00 H new ATOM 0 HD3 LYS A 94 -15.880 -8.248 7.856 1.00 1.00 H new ATOM 0 HE2 LYS A 94 -13.874 -6.968 8.930 1.00 1.00 H new ATOM 0 HE3 LYS A 94 -14.822 -5.515 8.683 1.00 1.00 H new ATOM 0 HZ1 LYS A 94 -15.195 -6.443 10.872 1.00 1.00 H new ATOM 0 HZ2 LYS A 94 -16.626 -6.508 9.960 1.00 1.00 H new ATOM 0 HZ3 LYS A 94 -15.707 -7.916 10.199 1.00 1.00 H new ATOM 1416 N LYS A 95 -13.648 -8.833 3.335 1.00 1.00 N ATOM 1417 CA LYS A 95 -12.688 -9.895 3.086 1.00 1.00 C ATOM 1418 C LYS A 95 -12.186 -9.795 1.644 1.00 1.00 C ATOM 1419 O LYS A 95 -11.938 -10.811 0.998 1.00 1.00 O ATOM 1420 CB LYS A 95 -13.294 -11.256 3.433 1.00 1.00 C ATOM 1421 CG LYS A 95 -14.382 -11.644 2.430 1.00 1.00 C ATOM 1422 CD LYS A 95 -14.344 -13.145 2.134 1.00 1.00 C ATOM 1423 CE LYS A 95 -15.345 -13.513 1.036 1.00 1.00 C ATOM 1424 NZ LYS A 95 -16.260 -14.578 1.505 1.00 1.00 N ATOM 0 H LYS A 95 -14.619 -9.083 3.147 1.00 1.00 H new ATOM 0 HA LYS A 95 -11.819 -9.784 3.735 1.00 1.00 H new ATOM 0 HB2 LYS A 95 -12.512 -12.015 3.438 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -13.715 -11.225 4.438 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -15.360 -11.372 2.826 1.00 1.00 H new ATOM 0 HG3 LYS A 95 -14.246 -11.084 1.505 1.00 1.00 H new ATOM 0 HD2 LYS A 95 -13.339 -13.433 1.826 1.00 1.00 H new ATOM 0 HD3 LYS A 95 -14.572 -13.704 3.041 1.00 1.00 H new ATOM 0 HE2 LYS A 95 -15.919 -12.632 0.749 1.00 1.00 H new ATOM 0 HE3 LYS A 95 -14.811 -13.849 0.147 1.00 1.00 H new ATOM 0 HZ1 LYS A 95 -16.933 -14.816 0.748 1.00 1.00 H new ATOM 0 HZ2 LYS A 95 -15.709 -15.423 1.757 1.00 1.00 H new ATOM 0 HZ3 LYS A 95 -16.782 -14.244 2.340 1.00 1.00 H new ATOM 1437 N ASP A 96 -12.052 -8.560 1.182 1.00 1.00 N ATOM 1438 CA ASP A 96 -11.584 -8.314 -0.171 1.00 1.00 C ATOM 1439 C ASP A 96 -10.500 -7.235 -0.143 1.00 1.00 C ATOM 1440 O ASP A 96 -9.452 -7.386 -0.769 1.00 1.00 O ATOM 1441 CB ASP A 96 -12.721 -7.818 -1.066 1.00 1.00 C ATOM 1442 CG ASP A 96 -12.847 -8.537 -2.410 1.00 1.00 C ATOM 1443 OD1 ASP A 96 -13.862 -8.408 -3.111 1.00 1.00 O ATOM 1444 OD2 ASP A 96 -11.833 -9.265 -2.736 1.00 1.00 O ATOM 0 H ASP A 96 -12.259 -7.719 1.721 1.00 1.00 H new ATOM 0 HA ASP A 96 -11.195 -9.252 -0.568 1.00 1.00 H new ATOM 0 HB2 ASP A 96 -13.661 -7.924 -0.525 1.00 1.00 H new ATOM 0 HB3 ASP A 96 -12.578 -6.754 -1.252 1.00 1.00 H new ATOM 1450 N LEU A 97 -10.789 -6.170 0.590 1.00 1.00 N ATOM 1451 CA LEU A 97 -9.851 -5.066 0.708 1.00 1.00 C ATOM 1452 C LEU A 97 -9.127 -5.159 2.052 1.00 1.00 C ATOM 1453 O LEU A 97 -8.104 -4.507 2.257 1.00 1.00 O ATOM 1454 CB LEU A 97 -10.565 -3.731 0.486 1.00 1.00 C ATOM 1455 CG LEU A 97 -11.288 -3.572 -0.853 1.00 1.00 C ATOM 1456 CD1 LEU A 97 -11.471 -2.094 -1.206 1.00 1.00 C ATOM 1457 CD2 LEU A 97 -10.566 -4.340 -1.961 1.00 1.00 C ATOM 0 H LEU A 97 -11.659 -6.048 1.108 1.00 1.00 H new ATOM 0 HA LEU A 97 -9.090 -5.128 -0.070 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -11.291 -3.592 1.287 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -9.832 -2.930 0.578 1.00 1.00 H new ATOM 0 HG LEU A 97 -12.283 -4.006 -0.757 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -11.987 -2.010 -2.162 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -12.061 -1.605 -0.431 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -10.495 -1.613 -1.277 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -11.101 -4.210 -2.902 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -9.550 -3.959 -2.065 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -10.532 -5.399 -1.707 1.00 1.00 H new ATOM 1469 N THR A 98 -9.684 -5.976 2.934 1.00 1.00 N ATOM 1470 CA THR A 98 -9.104 -6.163 4.252 1.00 1.00 C ATOM 1471 C THR A 98 -9.107 -7.646 4.631 1.00 1.00 C ATOM 1472 O THR A 98 -9.349 -7.995 5.785 1.00 1.00 O ATOM 1473 CB THR A 98 -9.875 -5.283 5.238 1.00 1.00 C ATOM 1474 OG1 THR A 98 -10.938 -6.118 5.690 1.00 1.00 O ATOM 1475 CG2 THR A 98 -10.585 -4.116 4.549 1.00 1.00 C ATOM 0 H THR A 98 -10.532 -6.516 2.761 1.00 1.00 H new ATOM 0 HA THR A 98 -8.058 -5.857 4.270 1.00 1.00 H new ATOM 0 HB THR A 98 -9.190 -4.897 5.993 1.00 1.00 H new ATOM 0 HG1 THR A 98 -11.588 -6.241 4.967 1.00 1.00 H new ATOM 0 HG21 THR A 98 -11.117 -3.523 5.293 1.00 1.00 H new ATOM 0 HG22 THR A 98 -9.850 -3.490 4.044 1.00 1.00 H new ATOM 0 HG23 THR A 98 -11.295 -4.503 3.818 1.00 1.00 H new ATOM 1483 N GLY A 99 -8.834 -8.478 3.636 1.00 1.00 N ATOM 1484 CA GLY A 99 -8.802 -9.915 3.851 1.00 1.00 C ATOM 1485 C GLY A 99 -7.362 -10.431 3.890 1.00 1.00 C ATOM 1486 O GLY A 99 -6.562 -10.116 3.011 1.00 1.00 O ATOM 0 H GLY A 99 -8.633 -8.185 2.680 1.00 1.00 H new ATOM 0 HA2 GLY A 99 -9.305 -10.158 4.787 1.00 1.00 H new ATOM 0 HA3 GLY A 99 -9.351 -10.418 3.055 1.00 1.00 H new ATOM 1490 N CYS A 100 -7.077 -11.216 4.918 1.00 1.00 N ATOM 1491 CA CYS A 100 -5.748 -11.780 5.083 1.00 1.00 C ATOM 1492 C CYS A 100 -5.533 -12.831 3.993 1.00 1.00 C ATOM 1493 O CYS A 100 -4.405 -13.055 3.556 1.00 1.00 O ATOM 1494 CB CYS A 100 -5.550 -12.362 6.485 1.00 1.00 C ATOM 1495 SG CYS A 100 -5.713 -11.152 7.848 1.00 1.00 S ATOM 0 H CYS A 100 -7.744 -11.475 5.645 1.00 1.00 H new ATOM 0 HA CYS A 100 -5.001 -10.993 4.979 1.00 1.00 H new ATOM 0 HB2 CYS A 100 -6.276 -13.160 6.638 1.00 1.00 H new ATOM 0 HB3 CYS A 100 -4.561 -12.817 6.538 1.00 1.00 H new ATOM 1500 N ALA A 101 -6.632 -13.448 3.586 1.00 1.00 N ATOM 1501 CA ALA A 101 -6.578 -14.471 2.555 1.00 1.00 C ATOM 1502 C ALA A 101 -7.850 -14.403 1.708 1.00 1.00 C ATOM 1503 O ALA A 101 -8.790 -13.687 2.049 1.00 1.00 O ATOM 1504 CB ALA A 101 -6.384 -15.842 3.205 1.00 1.00 C ATOM 0 H ALA A 101 -7.565 -13.259 3.951 1.00 1.00 H new ATOM 0 HA ALA A 101 -5.730 -14.302 1.891 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -6.344 -16.609 2.432 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -5.452 -15.848 3.771 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -7.218 -16.048 3.876 1.00 1.00 H new ATOM 1510 N LYS A 102 -7.839 -15.158 0.619 1.00 1.00 N ATOM 1511 CA LYS A 102 -8.980 -15.192 -0.280 1.00 1.00 C ATOM 1512 C LYS A 102 -9.437 -13.761 -0.572 1.00 1.00 C ATOM 1513 O LYS A 102 -10.635 -13.491 -0.646 1.00 1.00 O ATOM 1514 CB LYS A 102 -10.083 -16.086 0.289 1.00 1.00 C ATOM 1515 CG LYS A 102 -9.892 -17.539 -0.149 1.00 1.00 C ATOM 1516 CD LYS A 102 -8.891 -18.258 0.756 1.00 1.00 C ATOM 1517 CE LYS A 102 -8.611 -19.674 0.249 1.00 1.00 C ATOM 1518 NZ LYS A 102 -7.416 -19.686 -0.623 1.00 1.00 N ATOM 0 H LYS A 102 -7.058 -15.751 0.339 1.00 1.00 H new ATOM 0 HA LYS A 102 -8.700 -15.638 -1.234 1.00 1.00 H new ATOM 0 HB2 LYS A 102 -10.078 -16.027 1.377 1.00 1.00 H new ATOM 0 HB3 LYS A 102 -11.056 -15.727 -0.046 1.00 1.00 H new ATOM 0 HG2 LYS A 102 -10.850 -18.059 -0.123 1.00 1.00 H new ATOM 0 HG3 LYS A 102 -9.541 -17.568 -1.181 1.00 1.00 H new ATOM 0 HD2 LYS A 102 -7.960 -17.692 0.797 1.00 1.00 H new ATOM 0 HD3 LYS A 102 -9.282 -18.303 1.773 1.00 1.00 H new ATOM 0 HE2 LYS A 102 -8.458 -20.345 1.094 1.00 1.00 H new ATOM 0 HE3 LYS A 102 -9.474 -20.046 -0.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 102 -7.241 -20.655 -0.958 1.00 1.00 H new ATOM 0 HZ2 LYS A 102 -7.575 -19.061 -1.439 1.00 1.00 H new ATOM 0 HZ3 LYS A 102 -6.591 -19.351 -0.086 1.00 1.00 H new ATOM 1531 N SER A 103 -8.459 -12.882 -0.730 1.00 1.00 N ATOM 1532 CA SER A 103 -8.745 -11.486 -1.012 1.00 1.00 C ATOM 1533 C SER A 103 -8.089 -11.073 -2.330 1.00 1.00 C ATOM 1534 O SER A 103 -7.618 -11.921 -3.086 1.00 1.00 O ATOM 1535 CB SER A 103 -8.264 -10.584 0.127 1.00 1.00 C ATOM 1536 OG SER A 103 -6.843 -10.576 0.237 1.00 1.00 O ATOM 0 H SER A 103 -7.467 -13.110 -0.668 1.00 1.00 H new ATOM 0 HA SER A 103 -9.825 -11.369 -1.100 1.00 1.00 H new ATOM 0 HB2 SER A 103 -8.621 -9.568 -0.040 1.00 1.00 H new ATOM 0 HB3 SER A 103 -8.699 -10.924 1.067 1.00 1.00 H new ATOM 0 HG SER A 103 -6.588 -10.405 1.168 1.00 1.00 H new ATOM 1542 N LYS A 104 -8.078 -9.769 -2.566 1.00 1.00 N ATOM 1543 CA LYS A 104 -7.486 -9.233 -3.780 1.00 1.00 C ATOM 1544 C LYS A 104 -6.022 -8.877 -3.515 1.00 1.00 C ATOM 1545 O LYS A 104 -5.359 -8.285 -4.366 1.00 1.00 O ATOM 1546 CB LYS A 104 -8.318 -8.063 -4.310 1.00 1.00 C ATOM 1547 CG LYS A 104 -9.804 -8.265 -4.008 1.00 1.00 C ATOM 1548 CD LYS A 104 -10.675 -7.532 -5.030 1.00 1.00 C ATOM 1549 CE LYS A 104 -10.835 -8.358 -6.307 1.00 1.00 C ATOM 1550 NZ LYS A 104 -12.198 -8.927 -6.390 1.00 1.00 N ATOM 0 H LYS A 104 -8.470 -9.068 -1.937 1.00 1.00 H new ATOM 0 HA LYS A 104 -7.493 -9.983 -4.571 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -7.974 -7.133 -3.857 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -8.172 -7.966 -5.386 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -10.040 -9.329 -4.020 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -10.028 -7.900 -3.006 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -11.655 -7.329 -4.599 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -10.227 -6.568 -5.270 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -10.642 -7.732 -7.178 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -10.098 -9.161 -6.322 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -12.289 -9.485 -7.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -12.369 -9.541 -5.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -12.896 -8.156 -6.397 1.00 1.00 H new ATOM 1563 N CYS A 105 -5.560 -9.253 -2.332 1.00 1.00 N ATOM 1564 CA CYS A 105 -4.186 -8.981 -1.944 1.00 1.00 C ATOM 1565 C CYS A 105 -3.478 -10.317 -1.712 1.00 1.00 C ATOM 1566 O CYS A 105 -2.431 -10.585 -2.296 1.00 1.00 O ATOM 1567 CB CYS A 105 -4.115 -8.076 -0.712 1.00 1.00 C ATOM 1568 SG CYS A 105 -3.612 -6.386 -1.205 1.00 1.00 S ATOM 0 H CYS A 105 -6.112 -9.744 -1.629 1.00 1.00 H new ATOM 0 HA CYS A 105 -3.681 -8.438 -2.743 1.00 1.00 H new ATOM 0 HB2 CYS A 105 -5.085 -8.046 -0.216 1.00 1.00 H new ATOM 0 HB3 CYS A 105 -3.403 -8.481 0.007 1.00 1.00 H new ATOM 1573 N HIS A 106 -4.084 -11.133 -0.849 1.00 1.00 N ATOM 1574 CA HIS A 106 -3.559 -12.449 -0.502 1.00 1.00 C ATOM 1575 C HIS A 106 -4.511 -13.543 -1.020 1.00 1.00 C ATOM 1576 O HIS A 106 -5.119 -14.287 -0.254 1.00 1.00 O ATOM 1577 CB HIS A 106 -3.304 -12.498 1.012 1.00 1.00 C ATOM 1578 CG HIS A 106 -2.238 -11.573 1.552 1.00 1.00 C ATOM 1579 ND1 HIS A 106 -0.966 -11.626 1.146 1.00 1.00 N ATOM 1580 CD2 HIS A 106 -2.300 -10.566 2.486 1.00 1.00 C ATOM 1581 CE1 HIS A 106 -0.263 -10.689 1.800 1.00 1.00 C ATOM 1582 NE2 HIS A 106 -1.038 -10.005 2.640 1.00 1.00 N ATOM 0 H HIS A 106 -4.954 -10.897 -0.371 1.00 1.00 H new ATOM 0 HA HIS A 106 -2.601 -12.638 -0.987 1.00 1.00 H new ATOM 0 HB2 HIS A 106 -4.240 -12.272 1.522 1.00 1.00 H new ATOM 0 HB3 HIS A 106 -3.034 -13.520 1.279 1.00 1.00 H new ATOM 0 HD1 HIS A 106 -0.591 -12.273 0.452 1.00 1.00 H new ATOM 0 HD2 HIS A 106 -3.189 -10.259 3.016 1.00 1.00 H new ATOM 0 HE1 HIS A 106 0.794 -10.512 1.663 1.00 1.00 H new ATOM 1590 N PRO A 107 -4.622 -13.620 -2.348 1.00 1.00 N ATOM 1591 CA PRO A 107 -5.459 -14.576 -3.042 1.00 1.00 C ATOM 1592 C PRO A 107 -4.936 -15.984 -2.797 1.00 1.00 C ATOM 1593 O PRO A 107 -3.877 -16.352 -3.300 1.00 1.00 O ATOM 1594 CB PRO A 107 -5.344 -14.198 -4.517 1.00 1.00 C ATOM 1595 CG PRO A 107 -4.023 -13.474 -4.625 1.00 1.00 C ATOM 1596 CD PRO A 107 -3.922 -12.762 -3.278 1.00 1.00 C ATOM 0 HA PRO A 107 -6.495 -14.558 -2.704 1.00 1.00 H new ATOM 0 HB2 PRO A 107 -5.365 -15.082 -5.155 1.00 1.00 H new ATOM 0 HB3 PRO A 107 -6.172 -13.561 -4.828 1.00 1.00 H new ATOM 0 HG2 PRO A 107 -3.194 -14.164 -4.782 1.00 1.00 H new ATOM 0 HG3 PRO A 107 -4.013 -12.770 -5.457 1.00 1.00 H new ATOM 0 HD2 PRO A 107 -2.882 -12.624 -2.982 1.00 1.00 H new ATOM 0 HD3 PRO A 107 -4.376 -11.772 -3.320 1.00 1.00 H new TER 1604 PRO A 107 HETATM 1605 CHA HEM A 233 4.242 2.491 -7.442 1.00 1.00 C HETATM 1606 CHB HEM A 233 3.089 6.615 -9.762 1.00 1.00 C HETATM 1607 CHC HEM A 233 -0.874 7.086 -6.971 1.00 1.00 C HETATM 1608 CHD HEM A 233 0.274 2.944 -4.653 1.00 1.00 C HETATM 1609 C1A HEM A 233 4.243 3.558 -8.334 1.00 1.00 C HETATM 1610 C2A HEM A 233 5.200 3.721 -9.403 1.00 1.00 C HETATM 1611 C3A HEM A 233 4.883 4.864 -10.048 1.00 1.00 C HETATM 1612 C4A HEM A 233 3.727 5.419 -9.385 1.00 1.00 C HETATM 1613 CMA HEM A 233 5.571 5.478 -11.232 1.00 1.00 C HETATM 1614 CAA HEM A 233 6.322 2.771 -9.704 1.00 1.00 C HETATM 1615 CBA HEM A 233 7.348 2.647 -8.581 1.00 1.00 C HETATM 1616 CGA HEM A 233 8.743 3.009 -9.072 1.00 1.00 C HETATM 1617 O1A HEM A 233 9.465 3.669 -8.294 1.00 1.00 O HETATM 1618 O2A HEM A 233 9.061 2.618 -10.216 1.00 1.00 O HETATM 1619 C1B HEM A 233 1.925 7.106 -9.180 1.00 1.00 C HETATM 1620 C2B HEM A 233 1.304 8.360 -9.538 1.00 1.00 C HETATM 1621 C3B HEM A 233 0.205 8.493 -8.766 1.00 1.00 C HETATM 1622 C4B HEM A 233 0.135 7.324 -7.922 1.00 1.00 C HETATM 1623 CMB HEM A 233 1.821 9.307 -10.582 1.00 1.00 C HETATM 1624 CAB HEM A 233 -0.783 9.623 -8.752 1.00 1.00 C HETATM 1625 CBB HEM A 233 -1.408 9.917 -10.113 1.00 1.00 C HETATM 1626 C1C HEM A 233 -0.916 5.977 -6.103 1.00 1.00 C HETATM 1627 C2C HEM A 233 -1.828 5.847 -4.991 1.00 1.00 C HETATM 1628 C3C HEM A 233 -1.493 4.717 -4.333 1.00 1.00 C HETATM 1629 C4C HEM A 233 -0.370 4.136 -5.031 1.00 1.00 C HETATM 1630 CMC HEM A 233 -2.929 6.813 -4.666 1.00 1.00 C HETATM 1631 CAC HEM A 233 -2.135 4.136 -3.106 1.00 1.00 C HETATM 1632 CBC HEM A 233 -3.587 3.712 -3.308 1.00 1.00 C HETATM 1633 C1D HEM A 233 1.464 2.481 -5.205 1.00 1.00 C HETATM 1634 C2D HEM A 233 2.168 1.306 -4.749 1.00 1.00 C HETATM 1635 C3D HEM A 233 3.268 1.177 -5.520 1.00 1.00 C HETATM 1636 C4D HEM A 233 3.257 2.272 -6.461 1.00 1.00 C HETATM 1637 CMD HEM A 233 1.721 0.421 -3.622 1.00 1.00 C HETATM 1638 CAD HEM A 233 4.328 0.117 -5.448 1.00 1.00 C HETATM 1639 CBD HEM A 233 4.389 -0.784 -6.679 1.00 1.00 C HETATM 1640 CGD HEM A 233 5.829 -1.093 -7.061 1.00 1.00 C HETATM 1641 O1D HEM A 233 6.130 -0.993 -8.270 1.00 1.00 O HETATM 1642 O2D HEM A 233 6.603 -1.425 -6.136 1.00 1.00 O HETATM 1643 NA HEM A 233 3.342 4.609 -8.332 1.00 1.00 N HETATM 1644 NB HEM A 233 1.197 6.477 -8.185 1.00 1.00 N HETATM 1645 NC HEM A 233 -0.023 4.919 -6.118 1.00 1.00 N HETATM 1646 ND HEM A 233 2.143 3.068 -6.259 1.00 1.00 N HETATM 1647 FE HEM A 233 1.598 4.861 -7.188 1.00 1.00 FE HETATM 0 HMA1 HEM A 233 6.630 5.220 -11.212 1.00 1.00 H new HETATM 0 HMA2 HEM A 233 5.461 6.562 -11.195 1.00 1.00 H new HETATM 0 HMA3 HEM A 233 5.122 5.099 -12.150 1.00 1.00 H new HETATM 0 HMB1 HEM A 233 2.906 9.227 -10.641 1.00 1.00 H new HETATM 0 HMB2 HEM A 233 1.547 10.328 -10.315 1.00 1.00 H new HETATM 0 HMB3 HEM A 233 1.386 9.055 -11.549 1.00 1.00 H new HETATM 0 HMC1 HEM A 233 -2.644 7.813 -4.992 1.00 1.00 H new HETATM 0 HMC2 HEM A 233 -3.103 6.818 -3.590 1.00 1.00 H new HETATM 0 HMC3 HEM A 233 -3.842 6.511 -5.179 1.00 1.00 H new HETATM 0 HMD1 HEM A 233 2.060 -0.599 -3.804 1.00 1.00 H new HETATM 0 HMD2 HEM A 233 0.633 0.435 -3.558 1.00 1.00 H new HETATM 0 HMD3 HEM A 233 2.145 0.783 -2.685 1.00 1.00 H new HETATM 0 HBB1 HEM A 233 -2.139 10.719 -10.215 1.00 1.00 H new HETATM 0 HBB2 HEM A 233 -1.123 9.325 -10.983 1.00 1.00 H new HETATM 0 HBC1 HEM A 233 -4.148 3.277 -2.481 1.00 1.00 H new HETATM 0 HBC2 HEM A 233 -4.063 3.844 -4.280 1.00 1.00 H new HETATM 0 HBA1 HEM A 233 7.348 1.628 -8.195 1.00 1.00 H new HETATM 0 HBA2 HEM A 233 7.069 3.301 -7.755 1.00 1.00 H new HETATM 0 HAA1 HEM A 233 6.829 3.100 -10.611 1.00 1.00 H new HETATM 0 HAA2 HEM A 233 5.904 1.786 -9.911 1.00 1.00 H new HETATM 0 HBD1 HEM A 233 3.884 -0.299 -7.514 1.00 1.00 H new HETATM 0 HBD2 HEM A 233 3.855 -1.713 -6.480 1.00 1.00 H new HETATM 0 HAD1 HEM A 233 4.151 -0.500 -4.567 1.00 1.00 H new HETATM 0 HAD2 HEM A 233 5.298 0.596 -5.312 1.00 1.00 H new HETATM 0 HHA HEM A 233 5.053 1.781 -7.507 1.00 1.00 H new HETATM 0 HHB HEM A 233 3.534 7.192 -10.559 1.00 1.00 H new HETATM 0 HHC HEM A 233 -1.675 7.807 -6.901 1.00 1.00 H new HETATM 0 HHD HEM A 233 -0.187 2.347 -3.881 1.00 1.00 H new HETATM 0 HAB HEM A 233 -1.032 10.183 -7.851 1.00 1.00 H new HETATM 0 HAC HEM A 233 -1.611 4.027 -2.156 1.00 1.00 H new HETATM 1648 CHA HEM A 251 7.462 6.542 6.935 1.00 1.00 C HETATM 1649 CHB HEM A 251 4.455 4.279 3.843 1.00 1.00 C HETATM 1650 CHC HEM A 251 7.777 4.676 0.303 1.00 1.00 C HETATM 1651 CHD HEM A 251 10.724 7.107 3.362 1.00 1.00 C HETATM 1652 C1A HEM A 251 6.355 5.901 6.387 1.00 1.00 C HETATM 1653 C2A HEM A 251 5.136 5.626 7.111 1.00 1.00 C HETATM 1654 C3A HEM A 251 4.301 4.998 6.257 1.00 1.00 C HETATM 1655 C4A HEM A 251 4.994 4.879 4.996 1.00 1.00 C HETATM 1656 CMA HEM A 251 2.909 4.502 6.522 1.00 1.00 C HETATM 1657 CAA HEM A 251 4.889 5.989 8.546 1.00 1.00 C HETATM 1658 CBA HEM A 251 5.660 5.130 9.545 1.00 1.00 C HETATM 1659 CGA HEM A 251 4.717 4.247 10.350 1.00 1.00 C HETATM 1660 O1A HEM A 251 4.385 4.656 11.483 1.00 1.00 O HETATM 1661 O2A HEM A 251 4.346 3.179 9.817 1.00 1.00 O HETATM 1662 C1B HEM A 251 5.128 4.152 2.632 1.00 1.00 C HETATM 1663 C2B HEM A 251 4.633 3.399 1.504 1.00 1.00 C HETATM 1664 C3B HEM A 251 5.551 3.507 0.521 1.00 1.00 C HETATM 1665 C4B HEM A 251 6.624 4.328 1.031 1.00 1.00 C HETATM 1666 CMB HEM A 251 3.332 2.651 1.475 1.00 1.00 C HETATM 1667 CAB HEM A 251 5.508 2.907 -0.854 1.00 1.00 C HETATM 1668 CBB HEM A 251 4.158 3.047 -1.551 1.00 1.00 C HETATM 1669 C1C HEM A 251 8.854 5.467 0.806 1.00 1.00 C HETATM 1670 C2C HEM A 251 10.122 5.630 0.135 1.00 1.00 C HETATM 1671 C3C HEM A 251 10.952 6.251 0.999 1.00 1.00 C HETATM 1672 C4C HEM A 251 10.206 6.479 2.214 1.00 1.00 C HETATM 1673 CMC HEM A 251 10.417 5.176 -1.265 1.00 1.00 C HETATM 1674 CAC HEM A 251 12.384 6.648 0.783 1.00 1.00 C HETATM 1675 CBC HEM A 251 12.565 7.815 -0.184 1.00 1.00 C HETATM 1676 C1D HEM A 251 10.103 7.110 4.607 1.00 1.00 C HETATM 1677 C2D HEM A 251 10.722 7.586 5.821 1.00 1.00 C HETATM 1678 C3D HEM A 251 9.821 7.431 6.814 1.00 1.00 C HETATM 1679 C4D HEM A 251 8.634 6.857 6.224 1.00 1.00 C HETATM 1680 CMD HEM A 251 12.113 8.142 5.915 1.00 1.00 C HETATM 1681 CAD HEM A 251 9.977 7.774 8.267 1.00 1.00 C HETATM 1682 CBD HEM A 251 8.812 8.572 8.844 1.00 1.00 C HETATM 1683 CGD HEM A 251 8.189 7.851 10.031 1.00 1.00 C HETATM 1684 O1D HEM A 251 7.687 8.562 10.928 1.00 1.00 O HETATM 1685 O2D HEM A 251 8.227 6.602 10.020 1.00 1.00 O HETATM 1686 NA HEM A 251 6.257 5.437 5.087 1.00 1.00 N HETATM 1687 NB HEM A 251 6.353 4.720 2.330 1.00 1.00 N HETATM 1688 NC HEM A 251 8.917 5.993 2.084 1.00 1.00 N HETATM 1689 ND HEM A 251 8.819 6.664 4.866 1.00 1.00 N HETATM 1690 FE HEM A 251 7.606 5.663 3.626 1.00 1.00 FE HETATM 0 HMA1 HEM A 251 2.816 4.222 7.571 1.00 1.00 H new HETATM 0 HMA2 HEM A 251 2.707 3.633 5.896 1.00 1.00 H new HETATM 0 HMA3 HEM A 251 2.192 5.290 6.292 1.00 1.00 H new HETATM 0 HMB1 HEM A 251 3.088 2.306 2.480 1.00 1.00 H new HETATM 0 HMB2 HEM A 251 3.420 1.793 0.808 1.00 1.00 H new HETATM 0 HMB3 HEM A 251 2.541 3.310 1.116 1.00 1.00 H new HETATM 0 HMC1 HEM A 251 11.165 5.832 -1.710 1.00 1.00 H new HETATM 0 HMC2 HEM A 251 9.504 5.212 -1.859 1.00 1.00 H new HETATM 0 HMC3 HEM A 251 10.796 4.154 -1.244 1.00 1.00 H new HETATM 0 HMD1 HEM A 251 12.743 7.678 5.156 1.00 1.00 H new HETATM 0 HMD2 HEM A 251 12.522 7.933 6.903 1.00 1.00 H new HETATM 0 HMD3 HEM A 251 12.086 9.220 5.754 1.00 1.00 H new HETATM 0 HBB1 HEM A 251 4.019 2.645 -2.555 1.00 1.00 H new HETATM 0 HBB2 HEM A 251 3.333 3.549 -1.045 1.00 1.00 H new HETATM 0 HBC1 HEM A 251 13.565 8.184 -0.412 1.00 1.00 H new HETATM 0 HBC2 HEM A 251 11.694 8.280 -0.647 1.00 1.00 H new HETATM 0 HBA1 HEM A 251 6.227 5.771 10.219 1.00 1.00 H new HETATM 0 HBA2 HEM A 251 6.381 4.508 9.014 1.00 1.00 H new HETATM 0 HAA1 HEM A 251 3.823 5.901 8.754 1.00 1.00 H new HETATM 0 HAA2 HEM A 251 5.158 7.034 8.697 1.00 1.00 H new HETATM 0 HBD1 HEM A 251 8.058 8.729 8.073 1.00 1.00 H new HETATM 0 HBD2 HEM A 251 9.160 9.557 9.155 1.00 1.00 H new HETATM 0 HAD1 HEM A 251 10.896 8.345 8.398 1.00 1.00 H new HETATM 0 HAD2 HEM A 251 10.090 6.852 8.837 1.00 1.00 H new HETATM 0 HHA HEM A 251 7.418 6.817 7.979 1.00 1.00 H new HETATM 0 HHB HEM A 251 3.449 3.890 3.902 1.00 1.00 H new HETATM 0 HHC HEM A 251 7.853 4.318 -0.713 1.00 1.00 H new HETATM 0 HHD HEM A 251 11.669 7.622 3.270 1.00 1.00 H new HETATM 0 HAB HEM A 251 6.365 2.415 -1.314 1.00 1.00 H new HETATM 0 HAC HEM A 251 13.219 6.148 1.273 1.00 1.00 H new HETATM 1691 CHA HEM A 282 -9.079 -1.568 -4.060 1.00 1.00 C HETATM 1692 CHB HEM A 282 -4.473 -2.609 -2.870 1.00 1.00 C HETATM 1693 CHC HEM A 282 -4.073 1.703 -0.641 1.00 1.00 C HETATM 1694 CHD HEM A 282 -8.700 2.728 -1.798 1.00 1.00 C HETATM 1695 C1A HEM A 282 -7.853 -2.213 -3.933 1.00 1.00 C HETATM 1696 C2A HEM A 282 -7.557 -3.511 -4.491 1.00 1.00 C HETATM 1697 C3A HEM A 282 -6.281 -3.803 -4.163 1.00 1.00 C HETATM 1698 C4A HEM A 282 -5.774 -2.688 -3.398 1.00 1.00 C HETATM 1699 CMA HEM A 282 -5.498 -5.037 -4.504 1.00 1.00 C HETATM 1700 CAA HEM A 282 -8.522 -4.346 -5.282 1.00 1.00 C HETATM 1701 CBA HEM A 282 -8.786 -3.822 -6.691 1.00 1.00 C HETATM 1702 CGA HEM A 282 -10.276 -3.819 -7.004 1.00 1.00 C HETATM 1703 O1A HEM A 282 -10.644 -4.459 -8.013 1.00 1.00 O HETATM 1704 O2A HEM A 282 -11.018 -3.178 -6.229 1.00 1.00 O HETATM 1705 C1B HEM A 282 -3.971 -1.518 -2.168 1.00 1.00 C HETATM 1706 C2B HEM A 282 -2.621 -1.429 -1.663 1.00 1.00 C HETATM 1707 C3B HEM A 282 -2.507 -0.234 -1.045 1.00 1.00 C HETATM 1708 C4B HEM A 282 -3.785 0.428 -1.161 1.00 1.00 C HETATM 1709 CMB HEM A 282 -1.573 -2.492 -1.820 1.00 1.00 C HETATM 1710 CAB HEM A 282 -1.303 0.338 -0.355 1.00 1.00 C HETATM 1711 CBB HEM A 282 0.004 0.131 -1.115 1.00 1.00 C HETATM 1712 C1C HEM A 282 -5.329 2.329 -0.705 1.00 1.00 C HETATM 1713 C2C HEM A 282 -5.668 3.571 -0.051 1.00 1.00 C HETATM 1714 C3C HEM A 282 -6.945 3.858 -0.379 1.00 1.00 C HETATM 1715 C4C HEM A 282 -7.411 2.796 -1.240 1.00 1.00 C HETATM 1716 CMC HEM A 282 -4.739 4.363 0.823 1.00 1.00 C HETATM 1717 CAC HEM A 282 -7.766 5.041 0.046 1.00 1.00 C HETATM 1718 CBC HEM A 282 -6.948 6.302 0.305 1.00 1.00 C HETATM 1719 C1D HEM A 282 -9.181 1.659 -2.546 1.00 1.00 C HETATM 1720 C2D HEM A 282 -10.479 1.629 -3.178 1.00 1.00 C HETATM 1721 C3D HEM A 282 -10.587 0.439 -3.807 1.00 1.00 C HETATM 1722 C4D HEM A 282 -9.358 -0.280 -3.569 1.00 1.00 C HETATM 1723 CMD HEM A 282 -11.488 2.739 -3.122 1.00 1.00 C HETATM 1724 CAD HEM A 282 -11.744 -0.080 -4.610 1.00 1.00 C HETATM 1725 CBD HEM A 282 -11.482 -0.134 -6.112 1.00 1.00 C HETATM 1726 CGD HEM A 282 -12.112 1.055 -6.822 1.00 1.00 C HETATM 1727 O1D HEM A 282 -12.957 0.804 -7.709 1.00 1.00 O HETATM 1728 O2D HEM A 282 -11.739 2.193 -6.464 1.00 1.00 O HETATM 1729 NA HEM A 282 -6.749 -1.715 -3.263 1.00 1.00 N HETATM 1730 NB HEM A 282 -4.678 -0.370 -1.854 1.00 1.00 N HETATM 1731 NC HEM A 282 -6.408 1.861 -1.434 1.00 1.00 N HETATM 1732 ND HEM A 282 -8.500 0.479 -2.792 1.00 1.00 N HETATM 1733 FE HEM A 282 -6.590 0.127 -2.259 1.00 1.00 FE HETATM 0 HMA1 HEM A 282 -4.441 -4.786 -4.586 1.00 1.00 H new HETATM 0 HMA2 HEM A 282 -5.850 -5.440 -5.454 1.00 1.00 H new HETATM 0 HMA3 HEM A 282 -5.634 -5.782 -3.720 1.00 1.00 H new HETATM 0 HMB1 HEM A 282 -2.051 -3.471 -1.861 1.00 1.00 H new HETATM 0 HMB2 HEM A 282 -0.889 -2.457 -0.972 1.00 1.00 H new HETATM 0 HMB3 HEM A 282 -1.017 -2.321 -2.742 1.00 1.00 H new HETATM 0 HMC1 HEM A 282 -4.039 3.688 1.316 1.00 1.00 H new HETATM 0 HMC2 HEM A 282 -5.317 4.899 1.576 1.00 1.00 H new HETATM 0 HMC3 HEM A 282 -4.186 5.077 0.213 1.00 1.00 H new HETATM 0 HMD1 HEM A 282 -12.088 2.731 -4.032 1.00 1.00 H new HETATM 0 HMD2 HEM A 282 -10.972 3.695 -3.036 1.00 1.00 H new HETATM 0 HMD3 HEM A 282 -12.137 2.597 -2.258 1.00 1.00 H new HETATM 0 HBB1 HEM A 282 0.940 0.508 -0.702 1.00 1.00 H new HETATM 0 HBB2 HEM A 282 0.002 -0.394 -2.070 1.00 1.00 H new HETATM 0 HBC1 HEM A 282 -7.446 7.220 0.619 1.00 1.00 H new HETATM 0 HBC2 HEM A 282 -5.866 6.286 0.176 1.00 1.00 H new HETATM 0 HBA1 HEM A 282 -8.260 -4.441 -7.417 1.00 1.00 H new HETATM 0 HBA2 HEM A 282 -8.389 -2.811 -6.787 1.00 1.00 H new HETATM 0 HAA1 HEM A 282 -9.467 -4.400 -4.742 1.00 1.00 H new HETATM 0 HAA2 HEM A 282 -8.136 -5.363 -5.350 1.00 1.00 H new HETATM 0 HBD1 HEM A 282 -11.884 -1.061 -6.521 1.00 1.00 H new HETATM 0 HBD2 HEM A 282 -10.408 -0.144 -6.297 1.00 1.00 H new HETATM 0 HAD1 HEM A 282 -12.613 0.551 -4.426 1.00 1.00 H new HETATM 0 HAD2 HEM A 282 -11.997 -1.081 -4.259 1.00 1.00 H new HETATM 0 HHA HEM A 282 -9.872 -2.093 -4.571 1.00 1.00 H new HETATM 0 HHB HEM A 282 -3.818 -3.454 -3.020 1.00 1.00 H new HETATM 0 HHC HEM A 282 -3.270 2.240 -0.157 1.00 1.00 H new HETATM 0 HHD HEM A 282 -9.363 3.565 -1.634 1.00 1.00 H new HETATM 0 HAB HEM A 282 -1.357 0.855 0.603 1.00 1.00 H new HETATM 0 HAC HEM A 282 -8.849 5.002 0.159 1.00 1.00 H new HETATM 1734 CHA HEM A 305 2.768 -8.905 2.964 1.00 1.00 C HETATM 1735 CHB HEM A 305 -0.078 -10.744 6.463 1.00 1.00 C HETATM 1736 CHC HEM A 305 -3.874 -8.253 4.701 1.00 1.00 C HETATM 1737 CHD HEM A 305 -0.967 -6.262 1.297 1.00 1.00 C HETATM 1738 C1A HEM A 305 2.316 -9.606 4.078 1.00 1.00 C HETATM 1739 C2A HEM A 305 3.156 -10.432 4.913 1.00 1.00 C HETATM 1740 C3A HEM A 305 2.370 -10.943 5.884 1.00 1.00 C HETATM 1741 C4A HEM A 305 1.036 -10.439 5.659 1.00 1.00 C HETATM 1742 CMA HEM A 305 2.764 -11.863 7.003 1.00 1.00 C HETATM 1743 CAA HEM A 305 4.626 -10.651 4.703 1.00 1.00 C HETATM 1744 CBA HEM A 305 5.459 -9.375 4.764 1.00 1.00 C HETATM 1745 CGA HEM A 305 6.451 -9.423 5.918 1.00 1.00 C HETATM 1746 O1A HEM A 305 6.056 -9.942 6.984 1.00 1.00 O HETATM 1747 O2A HEM A 305 7.585 -8.939 5.713 1.00 1.00 O HETATM 1748 C1B HEM A 305 -1.343 -10.188 6.302 1.00 1.00 C HETATM 1749 C2B HEM A 305 -2.439 -10.386 7.221 1.00 1.00 C HETATM 1750 C3B HEM A 305 -3.493 -9.696 6.735 1.00 1.00 C HETATM 1751 C4B HEM A 305 -3.060 -9.065 5.511 1.00 1.00 C HETATM 1752 CMB HEM A 305 -2.373 -11.213 8.471 1.00 1.00 C HETATM 1753 CAB HEM A 305 -4.870 -9.580 7.321 1.00 1.00 C HETATM 1754 CBB HEM A 305 -4.962 -8.623 8.506 1.00 1.00 C HETATM 1755 C1C HEM A 305 -3.462 -7.627 3.449 1.00 1.00 C HETATM 1756 C2C HEM A 305 -4.295 -6.949 2.484 1.00 1.00 C HETATM 1757 C3C HEM A 305 -3.472 -6.371 1.584 1.00 1.00 C HETATM 1758 C4C HEM A 305 -2.120 -6.685 1.983 1.00 1.00 C HETATM 1759 CMC HEM A 305 -5.796 -6.920 2.516 1.00 1.00 C HETATM 1760 CAC HEM A 305 -3.845 -5.551 0.384 1.00 1.00 C HETATM 1761 CBC HEM A 305 -5.305 -5.108 0.364 1.00 1.00 C HETATM 1762 C1D HEM A 305 0.301 -6.805 1.476 1.00 1.00 C HETATM 1763 C2D HEM A 305 1.459 -6.435 0.697 1.00 1.00 C HETATM 1764 C3D HEM A 305 2.497 -7.166 1.156 1.00 1.00 C HETATM 1765 C4D HEM A 305 1.991 -7.995 2.225 1.00 1.00 C HETATM 1766 CMD HEM A 305 1.462 -5.421 -0.410 1.00 1.00 C HETATM 1767 CAD HEM A 305 3.920 -7.153 0.679 1.00 1.00 C HETATM 1768 CBD HEM A 305 4.866 -6.354 1.571 1.00 1.00 C HETATM 1769 CGD HEM A 305 4.286 -4.985 1.898 1.00 1.00 C HETATM 1770 O1D HEM A 305 3.706 -4.862 2.998 1.00 1.00 O HETATM 1771 O2D HEM A 305 4.434 -4.087 1.041 1.00 1.00 O HETATM 1772 NA HEM A 305 1.014 -9.618 4.546 1.00 1.00 N HETATM 1773 NB HEM A 305 -1.735 -9.374 5.254 1.00 1.00 N HETATM 1774 NC HEM A 305 -2.125 -7.458 3.132 1.00 1.00 N HETATM 1775 ND HEM A 305 0.639 -7.765 2.413 1.00 1.00 N HETATM 1776 FE HEM A 305 -0.577 -8.574 3.791 1.00 1.00 FE HETATM 0 HMA1 HEM A 305 2.123 -11.682 7.866 1.00 1.00 H new HETATM 0 HMA2 HEM A 305 3.802 -11.678 7.278 1.00 1.00 H new HETATM 0 HMA3 HEM A 305 2.653 -12.898 6.679 1.00 1.00 H new HETATM 0 HMB1 HEM A 305 -3.060 -10.806 9.213 1.00 1.00 H new HETATM 0 HMB2 HEM A 305 -1.358 -11.193 8.867 1.00 1.00 H new HETATM 0 HMB3 HEM A 305 -2.653 -12.241 8.242 1.00 1.00 H new HETATM 0 HMC1 HEM A 305 -6.168 -7.836 2.975 1.00 1.00 H new HETATM 0 HMC2 HEM A 305 -6.180 -6.842 1.499 1.00 1.00 H new HETATM 0 HMC3 HEM A 305 -6.131 -6.061 3.097 1.00 1.00 H new HETATM 0 HMD1 HEM A 305 0.484 -5.404 -0.890 1.00 1.00 H new HETATM 0 HMD2 HEM A 305 2.222 -5.687 -1.145 1.00 1.00 H new HETATM 0 HMD3 HEM A 305 1.683 -4.435 -0.000 1.00 1.00 H new HETATM 0 HBB1 HEM A 305 -5.918 -8.465 9.006 1.00 1.00 H new HETATM 0 HBB2 HEM A 305 -4.072 -8.097 8.852 1.00 1.00 H new HETATM 0 HBC1 HEM A 305 -5.681 -4.507 -0.464 1.00 1.00 H new HETATM 0 HBC2 HEM A 305 -5.972 -5.392 1.178 1.00 1.00 H new HETATM 0 HBA1 HEM A 305 4.802 -8.513 4.881 1.00 1.00 H new HETATM 0 HBA2 HEM A 305 5.995 -9.242 3.825 1.00 1.00 H new HETATM 0 HAA1 HEM A 305 4.777 -11.125 3.733 1.00 1.00 H new HETATM 0 HAA2 HEM A 305 4.991 -11.347 5.459 1.00 1.00 H new HETATM 0 HBD1 HEM A 305 5.828 -6.235 1.072 1.00 1.00 H new HETATM 0 HBD2 HEM A 305 5.052 -6.904 2.494 1.00 1.00 H new HETATM 0 HAD1 HEM A 305 3.951 -6.739 -0.329 1.00 1.00 H new HETATM 0 HAD2 HEM A 305 4.280 -8.180 0.613 1.00 1.00 H new HETATM 0 HHA HEM A 305 3.786 -9.071 2.645 1.00 1.00 H new HETATM 0 HHB HEM A 305 0.059 -11.459 7.260 1.00 1.00 H new HETATM 0 HHC HEM A 305 -4.887 -8.079 5.033 1.00 1.00 H new HETATM 0 HHD HEM A 305 -1.074 -5.460 0.582 1.00 1.00 H new HETATM 0 HAB HEM A 305 -5.728 -10.130 6.935 1.00 1.00 H new HETATM 0 HAC HEM A 305 -3.136 -5.295 -0.403 1.00 1.00 H new