USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 636 hydrogens (31 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 Set 1.1: A 16 HIS : no HE2:sc= -8.97! C(o=-8.8!,f=-18!) USER MOD Set 1.2: A 27 TYR OH : rot 163:sc= 0.127 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN :FLIP amide:sc= -2.97 F(o=-4.1!,f=-3) USER MOD Single : A 10 LYS NZ :NH3+ 154:sc= 0.0152 (180deg=0) USER MOD Single : A 13 MET CE :methyl -129:sc= -0.249 (180deg=-0.555) USER MOD Single : A 20 THR OG1 : rot -173:sc= -3.84! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 155:sc= -2.98! (180deg=-4.63!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.179) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.58 K(o=-1.6,f=-5.1!) USER MOD Single : A 43 TYR OH : rot -15:sc= -1.63 USER MOD Single : A 46 GLN : amide:sc= -0.184 K(o=-0.18,f=-2.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.3!) USER MOD Single : A 52 SER OG : rot 74:sc= 0.0416 USER MOD Single : A 53 GLN :FLIP amide:sc= -2.18! C(o=-3.7!,f=-2.2!) USER MOD Single : A 61 MET CE :methyl -178:sc= -9.21! (180deg=-9.4!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.52 F(o=-3!,f=-1.5) USER MOD Single : A 67 SER OG : rot 180:sc= 0.113 USER MOD Single : A 72 GLN : amide:sc= -0.117 K(o=-0.12,f=-1.1) USER MOD Single : A 73 THR OG1 : rot 81:sc= 0.18 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 83:sc= 0.892 USER MOD Single : A 81 GLN :FLIP amide:sc= -0.956 F(o=-1.7,f=-0.96) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HEM CMA :methyl -30:sc= -8.58! (180deg=-9.76!) USER MOD Single : A 83 HEM CMB :methyl 150:sc= -12.9! (180deg=-12.9!) USER MOD Single : A 83 HEM CMC :methyl -30:sc= -0.195 (180deg=-1.31) USER MOD Single : A 83 HEM CMD :methyl 150:sc= -2.59! (180deg=-2.59!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 70.569 17.240 2.038 1.00 0.00 N ATOM 2 CA GLU A 1 70.444 15.910 1.377 1.00 0.00 C ATOM 3 C GLU A 1 69.272 15.126 1.975 1.00 0.00 C ATOM 4 O GLU A 1 69.455 14.237 2.782 1.00 0.00 O ATOM 5 CB GLU A 1 71.768 15.200 1.665 1.00 0.00 C ATOM 6 CG GLU A 1 71.669 13.736 1.235 1.00 0.00 C ATOM 7 CD GLU A 1 72.932 13.343 0.468 1.00 0.00 C ATOM 8 OE1 GLU A 1 74.009 13.698 0.919 1.00 0.00 O ATOM 9 OE2 GLU A 1 72.803 12.694 -0.557 1.00 0.00 O ATOM 0 H1 GLU A 1 71.368 17.761 1.622 1.00 0.00 H new ATOM 0 H2 GLU A 1 69.692 17.781 1.897 1.00 0.00 H new ATOM 0 H3 GLU A 1 70.734 17.107 3.056 1.00 0.00 H new ATOM 0 HA GLU A 1 70.251 15.998 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 1 72.580 15.692 1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 1 72.002 15.262 2.728 1.00 0.00 H new ATOM 0 HG2 GLU A 1 71.548 13.097 2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 1 70.789 13.589 0.608 1.00 0.00 H new ATOM 18 N ASP A 2 68.069 15.449 1.585 1.00 0.00 N ATOM 19 CA ASP A 2 66.888 14.721 2.130 1.00 0.00 C ATOM 20 C ASP A 2 66.759 13.349 1.451 1.00 0.00 C ATOM 21 O ASP A 2 67.012 13.226 0.270 1.00 0.00 O ATOM 22 CB ASP A 2 65.689 15.605 1.785 1.00 0.00 C ATOM 23 CG ASP A 2 65.149 16.258 3.059 1.00 0.00 C ATOM 24 OD1 ASP A 2 65.895 16.991 3.689 1.00 0.00 O ATOM 25 OD2 ASP A 2 63.997 16.015 3.383 1.00 0.00 O ATOM 0 H ASP A 2 67.853 16.185 0.913 1.00 0.00 H new ATOM 0 HA ASP A 2 66.967 14.541 3.202 1.00 0.00 H new ATOM 0 HB2 ASP A 2 65.984 16.372 1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 2 64.909 15.009 1.311 1.00 0.00 H new ATOM 30 N PRO A 3 66.375 12.355 2.217 1.00 0.00 N ATOM 31 CA PRO A 3 66.224 10.988 1.665 1.00 0.00 C ATOM 32 C PRO A 3 65.127 10.955 0.601 1.00 0.00 C ATOM 33 O PRO A 3 65.166 10.164 -0.320 1.00 0.00 O ATOM 34 CB PRO A 3 65.822 10.167 2.895 1.00 0.00 C ATOM 35 CG PRO A 3 65.751 11.108 4.114 1.00 0.00 C ATOM 36 CD PRO A 3 66.077 12.537 3.657 1.00 0.00 C ATOM 0 HA PRO A 3 67.123 10.614 1.175 1.00 0.00 H new ATOM 0 HB2 PRO A 3 64.857 9.688 2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 3 66.547 9.372 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 3 64.757 11.072 4.561 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.457 10.787 4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.238 13.215 3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 3 66.928 12.952 4.198 1.00 0.00 H new ATOM 44 N GLU A 4 64.151 11.811 0.715 1.00 0.00 N ATOM 45 CA GLU A 4 63.061 11.827 -0.299 1.00 0.00 C ATOM 46 C GLU A 4 63.586 12.428 -1.605 1.00 0.00 C ATOM 47 O GLU A 4 63.193 12.033 -2.686 1.00 0.00 O ATOM 48 CB GLU A 4 61.964 12.706 0.305 1.00 0.00 C ATOM 49 CG GLU A 4 62.478 14.139 0.452 1.00 0.00 C ATOM 50 CD GLU A 4 61.330 15.049 0.893 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.198 14.598 0.859 1.00 0.00 O ATOM 52 OE2 GLU A 4 61.605 16.181 1.257 1.00 0.00 O ATOM 0 H GLU A 4 64.061 12.498 1.464 1.00 0.00 H new ATOM 0 HA GLU A 4 62.688 10.830 -0.531 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.079 12.690 -0.331 1.00 0.00 H new ATOM 0 HB3 GLU A 4 61.665 12.315 1.277 1.00 0.00 H new ATOM 0 HG2 GLU A 4 63.286 14.174 1.183 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.890 14.488 -0.495 1.00 0.00 H new ATOM 59 N VAL A 5 64.483 13.372 -1.512 1.00 0.00 N ATOM 60 CA VAL A 5 65.044 13.992 -2.746 1.00 0.00 C ATOM 61 C VAL A 5 65.989 13.012 -3.438 1.00 0.00 C ATOM 62 O VAL A 5 65.918 12.803 -4.635 1.00 0.00 O ATOM 63 CB VAL A 5 65.805 15.227 -2.266 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.675 15.766 -3.403 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.806 16.304 -1.837 1.00 0.00 C ATOM 0 H VAL A 5 64.851 13.740 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 5 64.269 14.253 -3.467 1.00 0.00 H new ATOM 0 HB VAL A 5 66.438 14.957 -1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 5 67.217 16.647 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 5 67.386 15.000 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 5 66.042 16.036 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.347 17.186 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.174 16.572 -2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 5 64.185 15.922 -1.027 1.00 0.00 H new ATOM 75 N LEU A 6 66.866 12.396 -2.697 1.00 0.00 N ATOM 76 CA LEU A 6 67.799 11.421 -3.323 1.00 0.00 C ATOM 77 C LEU A 6 67.035 10.145 -3.668 1.00 0.00 C ATOM 78 O LEU A 6 67.425 9.385 -4.533 1.00 0.00 O ATOM 79 CB LEU A 6 68.879 11.154 -2.273 1.00 0.00 C ATOM 80 CG LEU A 6 68.285 10.385 -1.094 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.199 8.897 -1.441 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.186 10.571 0.130 1.00 0.00 C ATOM 0 H LEU A 6 66.977 12.524 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 6 68.241 11.793 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.695 10.583 -2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.302 12.097 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 6 67.285 10.762 -0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 6 67.775 8.351 -0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.564 8.764 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.197 8.515 -1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.768 10.025 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.183 10.190 -0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.249 11.631 0.378 1.00 0.00 H new ATOM 94 N ALA A 7 65.937 9.916 -3.002 1.00 0.00 N ATOM 95 CA ALA A 7 65.127 8.701 -3.292 1.00 0.00 C ATOM 96 C ALA A 7 64.514 8.824 -4.688 1.00 0.00 C ATOM 97 O ALA A 7 64.476 7.877 -5.446 1.00 0.00 O ATOM 98 CB ALA A 7 64.034 8.684 -2.222 1.00 0.00 C ATOM 0 H ALA A 7 65.566 10.519 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 7 65.718 7.785 -3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.394 7.814 -2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.492 8.634 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.436 9.592 -2.298 1.00 0.00 H new ATOM 104 N LYS A 8 64.043 9.990 -5.037 1.00 0.00 N ATOM 105 CA LYS A 8 63.444 10.177 -6.389 1.00 0.00 C ATOM 106 C LYS A 8 64.542 10.120 -7.456 1.00 0.00 C ATOM 107 O LYS A 8 64.380 9.512 -8.496 1.00 0.00 O ATOM 108 CB LYS A 8 62.804 11.565 -6.351 1.00 0.00 C ATOM 109 CG LYS A 8 61.435 11.518 -7.034 1.00 0.00 C ATOM 110 CD LYS A 8 61.561 12.030 -8.470 1.00 0.00 C ATOM 111 CE LYS A 8 60.829 11.079 -9.419 1.00 0.00 C ATOM 112 NZ LYS A 8 59.400 11.497 -9.357 1.00 0.00 N ATOM 0 H LYS A 8 64.047 10.821 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 8 62.717 9.403 -6.634 1.00 0.00 H new ATOM 0 HB2 LYS A 8 62.695 11.898 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.448 12.287 -6.853 1.00 0.00 H new ATOM 0 HG2 LYS A 8 61.052 10.498 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 8 60.720 12.128 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 8 61.141 13.033 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 8 62.612 12.102 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS A 8 61.219 11.156 -10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 8 60.950 10.041 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.833 10.890 -9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 59.054 11.406 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 59.314 12.487 -9.664 1.00 0.00 H new ATOM 126 N ASN A 9 65.657 10.750 -7.206 1.00 0.00 N ATOM 127 CA ASN A 9 66.765 10.733 -8.209 1.00 0.00 C ATOM 128 C ASN A 9 67.278 9.305 -8.424 1.00 0.00 C ATOM 129 O ASN A 9 67.809 8.981 -9.468 1.00 0.00 O ATOM 130 CB ASN A 9 67.866 11.610 -7.608 1.00 0.00 C ATOM 131 CG ASN A 9 67.253 12.890 -7.033 1.00 0.00 C ATOM 132 OD1 ASN A 9 66.075 13.275 -7.439 1.00 0.00 O flip ATOM 133 ND2 ASN A 9 67.856 13.547 -6.207 1.00 0.00 N flip ATOM 0 H ASN A 9 65.851 11.275 -6.353 1.00 0.00 H new ATOM 0 HA ASN A 9 66.436 11.099 -9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.392 11.064 -6.825 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.602 11.860 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN A 9 68.777 13.246 -5.890 1.00 0.00 H new ATOM 0 HD22 ASN A 9 67.441 14.399 -5.831 1.00 0.00 H new ATOM 140 N LYS A 10 67.131 8.448 -7.449 1.00 0.00 N ATOM 141 CA LYS A 10 67.619 7.049 -7.612 1.00 0.00 C ATOM 142 C LYS A 10 66.494 6.150 -8.131 1.00 0.00 C ATOM 143 O LYS A 10 66.724 5.040 -8.568 1.00 0.00 O ATOM 144 CB LYS A 10 68.060 6.616 -6.213 1.00 0.00 C ATOM 145 CG LYS A 10 69.268 7.451 -5.778 1.00 0.00 C ATOM 146 CD LYS A 10 70.405 7.273 -6.787 1.00 0.00 C ATOM 147 CE LYS A 10 71.652 8.008 -6.290 1.00 0.00 C ATOM 148 NZ LYS A 10 72.657 7.834 -7.376 1.00 0.00 N ATOM 0 H LYS A 10 66.696 8.656 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 10 68.433 6.977 -8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.241 6.745 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.317 5.557 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.990 8.503 -5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.597 7.143 -4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.624 6.214 -6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.105 7.661 -7.760 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.444 9.063 -6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 10 72.010 7.588 -5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 73.337 8.620 -7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 73.162 6.935 -7.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 72.175 7.826 -8.297 1.00 0.00 H new ATOM 162 N GLY A 11 65.280 6.624 -8.097 1.00 0.00 N ATOM 163 CA GLY A 11 64.145 5.798 -8.600 1.00 0.00 C ATOM 164 C GLY A 11 63.593 4.923 -7.474 1.00 0.00 C ATOM 165 O GLY A 11 62.812 4.022 -7.705 1.00 0.00 O ATOM 0 H GLY A 11 65.024 7.546 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.358 6.445 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.479 5.172 -9.427 1.00 0.00 H new ATOM 169 N CYS A 12 63.988 5.174 -6.254 1.00 0.00 N ATOM 170 CA CYS A 12 63.475 4.343 -5.125 1.00 0.00 C ATOM 171 C CYS A 12 61.970 4.558 -4.941 1.00 0.00 C ATOM 172 O CYS A 12 61.306 3.799 -4.265 1.00 0.00 O ATOM 173 CB CYS A 12 64.226 4.835 -3.886 1.00 0.00 C ATOM 174 SG CYS A 12 66.008 4.862 -4.204 1.00 0.00 S ATOM 0 H CYS A 12 64.639 5.913 -5.991 1.00 0.00 H new ATOM 0 HA CYS A 12 63.630 3.279 -5.306 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.882 5.834 -3.616 1.00 0.00 H new ATOM 0 HB3 CYS A 12 64.010 4.184 -3.039 1.00 0.00 H new ATOM 179 N MET A 13 61.428 5.588 -5.526 1.00 0.00 N ATOM 180 CA MET A 13 59.969 5.848 -5.370 1.00 0.00 C ATOM 181 C MET A 13 59.203 5.338 -6.596 1.00 0.00 C ATOM 182 O MET A 13 58.034 5.621 -6.771 1.00 0.00 O ATOM 183 CB MET A 13 59.853 7.368 -5.263 1.00 0.00 C ATOM 184 CG MET A 13 60.304 7.822 -3.872 1.00 0.00 C ATOM 185 SD MET A 13 59.235 9.167 -3.300 1.00 0.00 S ATOM 186 CE MET A 13 58.265 8.200 -2.118 1.00 0.00 C ATOM 0 H MET A 13 61.930 6.261 -6.105 1.00 0.00 H new ATOM 0 HA MET A 13 59.549 5.341 -4.501 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.466 7.844 -6.028 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.823 7.677 -5.441 1.00 0.00 H new ATOM 0 HG2 MET A 13 60.261 6.987 -3.173 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.341 8.156 -3.905 1.00 0.00 H new ATOM 0 HE1 MET A 13 57.203 8.359 -2.303 1.00 0.00 H new ATOM 0 HE2 MET A 13 58.499 7.142 -2.235 1.00 0.00 H new ATOM 0 HE3 MET A 13 58.508 8.515 -1.103 1.00 0.00 H new ATOM 196 N ALA A 14 59.852 4.591 -7.447 1.00 0.00 N ATOM 197 CA ALA A 14 59.162 4.070 -8.661 1.00 0.00 C ATOM 198 C ALA A 14 58.468 2.741 -8.354 1.00 0.00 C ATOM 199 O ALA A 14 57.308 2.549 -8.661 1.00 0.00 O ATOM 200 CB ALA A 14 60.274 3.867 -9.691 1.00 0.00 C ATOM 0 H ALA A 14 60.831 4.319 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 14 58.391 4.752 -9.019 1.00 0.00 H new ATOM 0 HB1 ALA A 14 59.846 3.483 -10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 14 60.767 4.819 -9.886 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.002 3.154 -9.305 1.00 0.00 H new ATOM 206 N CYS A 15 59.172 1.824 -7.758 1.00 0.00 N ATOM 207 CA CYS A 15 58.566 0.503 -7.434 1.00 0.00 C ATOM 208 C CYS A 15 58.088 0.469 -5.981 1.00 0.00 C ATOM 209 O CYS A 15 57.317 -0.387 -5.593 1.00 0.00 O ATOM 210 CB CYS A 15 59.702 -0.501 -7.609 1.00 0.00 C ATOM 211 SG CYS A 15 60.316 -0.474 -9.313 1.00 0.00 S ATOM 0 H CYS A 15 60.147 1.932 -7.479 1.00 0.00 H new ATOM 0 HA CYS A 15 57.705 0.290 -8.068 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.513 -0.265 -6.920 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.352 -1.502 -7.358 1.00 0.00 H new ATOM 216 N HIS A 16 58.563 1.367 -5.166 1.00 0.00 N ATOM 217 CA HIS A 16 58.159 1.346 -3.734 1.00 0.00 C ATOM 218 C HIS A 16 57.116 2.417 -3.413 1.00 0.00 C ATOM 219 O HIS A 16 56.778 3.254 -4.227 1.00 0.00 O ATOM 220 CB HIS A 16 59.445 1.626 -2.964 1.00 0.00 C ATOM 221 CG HIS A 16 60.128 0.330 -2.637 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.481 -0.693 -1.961 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.401 -0.123 -2.878 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.358 -1.701 -1.816 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.543 -1.407 -2.356 1.00 0.00 N ATOM 0 H HIS A 16 59.210 2.111 -5.427 1.00 0.00 H new ATOM 0 HA HIS A 16 57.700 0.393 -3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.106 2.258 -3.558 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.221 2.172 -2.048 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.515 -0.683 -1.633 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.173 0.430 -3.392 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.132 -2.635 -1.323 1.00 0.00 H new ATOM 233 N ALA A 17 56.623 2.385 -2.207 1.00 0.00 N ATOM 234 CA ALA A 17 55.612 3.377 -1.755 1.00 0.00 C ATOM 235 C ALA A 17 55.674 3.471 -0.229 1.00 0.00 C ATOM 236 O ALA A 17 56.569 2.932 0.389 1.00 0.00 O ATOM 237 CB ALA A 17 54.264 2.817 -2.210 1.00 0.00 C ATOM 0 H ALA A 17 56.885 1.697 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 17 55.777 4.375 -2.161 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.467 3.498 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 17 54.262 2.711 -3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 17 54.101 1.843 -1.750 1.00 0.00 H new ATOM 243 N ILE A 18 54.745 4.137 0.392 1.00 0.00 N ATOM 244 CA ILE A 18 54.786 4.237 1.880 1.00 0.00 C ATOM 245 C ILE A 18 54.003 3.080 2.512 1.00 0.00 C ATOM 246 O ILE A 18 54.555 2.264 3.221 1.00 0.00 O ATOM 247 CB ILE A 18 54.132 5.579 2.206 1.00 0.00 C ATOM 248 CG1 ILE A 18 54.750 6.669 1.327 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.367 5.921 3.678 1.00 0.00 C ATOM 250 CD1 ILE A 18 56.268 6.677 1.517 1.00 0.00 C ATOM 0 H ILE A 18 53.964 4.614 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 18 55.802 4.177 2.271 1.00 0.00 H new ATOM 0 HB ILE A 18 53.061 5.516 2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 18 54.505 6.490 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 18 54.335 7.642 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 18 53.900 6.878 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 18 53.931 5.144 4.306 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.438 5.984 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 18 56.709 7.453 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 18 56.503 6.877 2.562 1.00 0.00 H new ATOM 0 HD13 ILE A 18 56.675 5.707 1.233 1.00 0.00 H new ATOM 262 N ASP A 19 52.723 2.998 2.265 1.00 0.00 N ATOM 263 CA ASP A 19 51.925 1.888 2.863 1.00 0.00 C ATOM 264 C ASP A 19 51.188 1.104 1.771 1.00 0.00 C ATOM 265 O ASP A 19 50.526 0.121 2.042 1.00 0.00 O ATOM 266 CB ASP A 19 50.928 2.572 3.799 1.00 0.00 C ATOM 267 CG ASP A 19 49.870 3.306 2.971 1.00 0.00 C ATOM 268 OD1 ASP A 19 48.898 2.674 2.593 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.051 4.488 2.730 1.00 0.00 O ATOM 0 H ASP A 19 52.198 3.647 1.679 1.00 0.00 H new ATOM 0 HA ASP A 19 52.555 1.172 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 19 50.452 1.833 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 19 51.448 3.275 4.450 1.00 0.00 H new ATOM 274 N THR A 20 51.296 1.527 0.542 1.00 0.00 N ATOM 275 CA THR A 20 50.600 0.802 -0.559 1.00 0.00 C ATOM 276 C THR A 20 51.446 -0.386 -1.026 1.00 0.00 C ATOM 277 O THR A 20 52.629 -0.462 -0.756 1.00 0.00 O ATOM 278 CB THR A 20 50.455 1.835 -1.677 1.00 0.00 C ATOM 279 OG1 THR A 20 51.739 2.327 -2.035 1.00 0.00 O ATOM 280 CG2 THR A 20 49.579 2.992 -1.195 1.00 0.00 C ATOM 0 H THR A 20 51.836 2.343 0.252 1.00 0.00 H new ATOM 0 HA THR A 20 49.636 0.399 -0.249 1.00 0.00 H new ATOM 0 HB THR A 20 49.990 1.368 -2.545 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.640 3.066 -2.671 1.00 0.00 H new ATOM 0 HG21 THR A 20 49.476 3.728 -1.993 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.594 2.613 -0.922 1.00 0.00 H new ATOM 0 HG23 THR A 20 50.041 3.461 -0.326 1.00 0.00 H new ATOM 288 N LYS A 21 50.851 -1.319 -1.721 1.00 0.00 N ATOM 289 CA LYS A 21 51.622 -2.500 -2.196 1.00 0.00 C ATOM 290 C LYS A 21 51.845 -2.429 -3.709 1.00 0.00 C ATOM 291 O LYS A 21 51.039 -2.894 -4.488 1.00 0.00 O ATOM 292 CB LYS A 21 50.758 -3.711 -1.842 1.00 0.00 C ATOM 293 CG LYS A 21 51.648 -4.949 -1.710 1.00 0.00 C ATOM 294 CD LYS A 21 51.795 -5.314 -0.231 1.00 0.00 C ATOM 295 CE LYS A 21 52.737 -6.515 -0.090 1.00 0.00 C ATOM 296 NZ LYS A 21 53.104 -6.562 1.356 1.00 0.00 N ATOM 0 H LYS A 21 49.864 -1.312 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 21 52.609 -2.551 -1.735 1.00 0.00 H new ATOM 0 HB2 LYS A 21 50.225 -3.531 -0.908 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.004 -3.872 -2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 21 51.213 -5.783 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 21 52.627 -4.755 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 21 52.187 -4.464 0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 21 50.820 -5.552 0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 21 52.247 -7.438 -0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 21 53.621 -6.397 -0.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 53.748 -7.361 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 53.576 -5.675 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 52.244 -6.683 1.929 1.00 0.00 H new ATOM 310 N MET A 22 52.939 -1.856 -4.128 1.00 0.00 N ATOM 311 CA MET A 22 53.221 -1.763 -5.590 1.00 0.00 C ATOM 312 C MET A 22 54.154 -2.905 -6.010 1.00 0.00 C ATOM 313 O MET A 22 53.938 -4.049 -5.660 1.00 0.00 O ATOM 314 CB MET A 22 53.902 -0.405 -5.769 1.00 0.00 C ATOM 315 CG MET A 22 52.974 0.698 -5.261 1.00 0.00 C ATOM 316 SD MET A 22 52.914 2.041 -6.473 1.00 0.00 S ATOM 317 CE MET A 22 54.159 3.102 -5.698 1.00 0.00 C ATOM 0 H MET A 22 53.651 -1.448 -3.522 1.00 0.00 H new ATOM 0 HA MET A 22 52.323 -1.847 -6.202 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.845 -0.383 -5.222 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.140 -0.240 -6.820 1.00 0.00 H new ATOM 0 HG2 MET A 22 51.974 0.299 -5.095 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.330 1.075 -4.302 1.00 0.00 H new ATOM 0 HE1 MET A 22 54.608 3.747 -6.453 1.00 0.00 H new ATOM 0 HE2 MET A 22 53.687 3.715 -4.930 1.00 0.00 H new ATOM 0 HE3 MET A 22 54.932 2.483 -5.243 1.00 0.00 H new ATOM 327 N VAL A 23 55.193 -2.613 -6.746 1.00 0.00 N ATOM 328 CA VAL A 23 56.126 -3.698 -7.163 1.00 0.00 C ATOM 329 C VAL A 23 56.896 -4.199 -5.940 1.00 0.00 C ATOM 330 O VAL A 23 57.223 -5.364 -5.829 1.00 0.00 O ATOM 331 CB VAL A 23 57.075 -3.048 -8.171 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.185 -4.034 -8.537 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.296 -2.670 -9.432 1.00 0.00 C ATOM 0 H VAL A 23 55.434 -1.678 -7.074 1.00 0.00 H new ATOM 0 HA VAL A 23 55.610 -4.554 -7.599 1.00 0.00 H new ATOM 0 HB VAL A 23 57.514 -2.153 -7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 23 58.861 -3.570 -9.255 1.00 0.00 H new ATOM 0 HG12 VAL A 23 58.740 -4.306 -7.639 1.00 0.00 H new ATOM 0 HG13 VAL A 23 57.746 -4.929 -8.977 1.00 0.00 H new ATOM 0 HG21 VAL A 23 56.971 -2.207 -10.151 1.00 0.00 H new ATOM 0 HG22 VAL A 23 55.857 -3.566 -9.871 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.504 -1.968 -9.173 1.00 0.00 H new ATOM 343 N GLY A 24 57.172 -3.323 -5.013 1.00 0.00 N ATOM 344 CA GLY A 24 57.905 -3.734 -3.782 1.00 0.00 C ATOM 345 C GLY A 24 56.979 -3.563 -2.573 1.00 0.00 C ATOM 346 O GLY A 24 55.969 -2.893 -2.663 1.00 0.00 O ATOM 0 H GLY A 24 56.920 -2.336 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.229 -4.771 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 24 58.803 -3.128 -3.658 1.00 0.00 H new ATOM 350 N PRO A 25 57.347 -4.179 -1.478 1.00 0.00 N ATOM 351 CA PRO A 25 56.530 -4.095 -0.244 1.00 0.00 C ATOM 352 C PRO A 25 56.475 -2.654 0.268 1.00 0.00 C ATOM 353 O PRO A 25 57.443 -1.924 0.198 1.00 0.00 O ATOM 354 CB PRO A 25 57.302 -4.987 0.732 1.00 0.00 C ATOM 355 CG PRO A 25 58.545 -5.546 0.014 1.00 0.00 C ATOM 356 CD PRO A 25 58.586 -4.986 -1.412 1.00 0.00 C ATOM 0 HA PRO A 25 55.494 -4.402 -0.386 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.599 -4.416 1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.668 -5.803 1.080 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.450 -5.268 0.555 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.509 -6.635 -0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.475 -4.379 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.593 -5.780 -2.159 1.00 0.00 H new ATOM 364 N ALA A 26 55.352 -2.240 0.786 1.00 0.00 N ATOM 365 CA ALA A 26 55.246 -0.848 1.305 1.00 0.00 C ATOM 366 C ALA A 26 56.472 -0.518 2.162 1.00 0.00 C ATOM 367 O ALA A 26 57.095 -1.392 2.731 1.00 0.00 O ATOM 368 CB ALA A 26 53.975 -0.834 2.157 1.00 0.00 C ATOM 0 H ALA A 26 54.506 -2.803 0.872 1.00 0.00 H new ATOM 0 HA ALA A 26 55.203 -0.109 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 26 53.828 0.162 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.118 -1.097 1.537 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.072 -1.557 2.967 1.00 0.00 H new ATOM 374 N TYR A 27 56.822 0.734 2.260 1.00 0.00 N ATOM 375 CA TYR A 27 58.006 1.112 3.083 1.00 0.00 C ATOM 376 C TYR A 27 57.678 0.938 4.572 1.00 0.00 C ATOM 377 O TYR A 27 58.299 0.158 5.269 1.00 0.00 O ATOM 378 CB TYR A 27 58.273 2.582 2.742 1.00 0.00 C ATOM 379 CG TYR A 27 59.214 2.677 1.559 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.293 1.789 1.434 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.007 3.662 0.585 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.157 1.886 0.335 1.00 0.00 C ATOM 383 CE2 TYR A 27 59.871 3.758 -0.511 1.00 0.00 C ATOM 384 CZ TYR A 27 60.945 2.870 -0.637 1.00 0.00 C ATOM 385 OH TYR A 27 61.796 2.965 -1.720 1.00 0.00 O ATOM 0 H TYR A 27 56.341 1.511 1.807 1.00 0.00 H new ATOM 0 HA TYR A 27 58.879 0.492 2.878 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.335 3.087 2.512 1.00 0.00 H new ATOM 0 HB3 TYR A 27 58.706 3.091 3.603 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.458 1.030 2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.179 4.349 0.680 1.00 0.00 H new ATOM 0 HE1 TYR A 27 61.987 1.201 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 27 59.709 4.518 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 27 61.372 3.499 -2.424 1.00 0.00 H new ATOM 395 N LYS A 28 56.697 1.647 5.063 1.00 0.00 N ATOM 396 CA LYS A 28 56.326 1.502 6.499 1.00 0.00 C ATOM 397 C LYS A 28 56.205 0.020 6.850 1.00 0.00 C ATOM 398 O LYS A 28 56.699 -0.434 7.863 1.00 0.00 O ATOM 399 CB LYS A 28 54.971 2.197 6.635 1.00 0.00 C ATOM 400 CG LYS A 28 55.101 3.391 7.580 1.00 0.00 C ATOM 401 CD LYS A 28 54.080 4.461 7.190 1.00 0.00 C ATOM 402 CE LYS A 28 53.058 4.626 8.317 1.00 0.00 C ATOM 403 NZ LYS A 28 52.077 3.524 8.110 1.00 0.00 N ATOM 0 H LYS A 28 56.139 2.317 4.534 1.00 0.00 H new ATOM 0 HA LYS A 28 57.069 1.936 7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 28 54.622 2.530 5.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.228 1.497 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 28 54.936 3.074 8.610 1.00 0.00 H new ATOM 0 HG3 LYS A 28 56.110 3.800 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 28 54.585 5.408 7.001 1.00 0.00 H new ATOM 0 HD3 LYS A 28 53.576 4.178 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 28 53.533 4.553 9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 28 52.573 5.601 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 51.343 3.570 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 51.636 3.623 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 52.567 2.608 8.166 1.00 0.00 H new ATOM 417 N ASP A 29 55.556 -0.738 6.012 1.00 0.00 N ATOM 418 CA ASP A 29 55.406 -2.195 6.283 1.00 0.00 C ATOM 419 C ASP A 29 56.785 -2.828 6.483 1.00 0.00 C ATOM 420 O ASP A 29 57.000 -3.603 7.393 1.00 0.00 O ATOM 421 CB ASP A 29 54.733 -2.767 5.034 1.00 0.00 C ATOM 422 CG ASP A 29 53.226 -2.522 5.102 1.00 0.00 C ATOM 423 OD1 ASP A 29 52.615 -2.968 6.059 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.706 -1.893 4.195 1.00 0.00 O ATOM 0 H ASP A 29 55.122 -0.411 5.149 1.00 0.00 H new ATOM 0 HA ASP A 29 54.823 -2.393 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.147 -2.300 4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 29 54.934 -3.836 4.958 1.00 0.00 H new ATOM 429 N VAL A 30 57.720 -2.498 5.635 1.00 0.00 N ATOM 430 CA VAL A 30 59.088 -3.072 5.770 1.00 0.00 C ATOM 431 C VAL A 30 59.641 -2.791 7.166 1.00 0.00 C ATOM 432 O VAL A 30 60.374 -3.581 7.727 1.00 0.00 O ATOM 433 CB VAL A 30 59.921 -2.356 4.708 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.374 -2.831 4.793 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.360 -2.677 3.320 1.00 0.00 C ATOM 0 H VAL A 30 57.595 -1.855 4.853 1.00 0.00 H new ATOM 0 HA VAL A 30 59.100 -4.154 5.636 1.00 0.00 H new ATOM 0 HB VAL A 30 59.880 -1.280 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 30 61.969 -2.320 4.035 1.00 0.00 H new ATOM 0 HG12 VAL A 30 61.774 -2.604 5.781 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.416 -3.907 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 30 59.953 -2.167 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.402 -3.753 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.325 -2.340 3.259 1.00 0.00 H new ATOM 445 N ALA A 31 59.296 -1.667 7.729 1.00 0.00 N ATOM 446 CA ALA A 31 59.804 -1.330 9.091 1.00 0.00 C ATOM 447 C ALA A 31 59.055 -2.134 10.157 1.00 0.00 C ATOM 448 O ALA A 31 59.627 -2.564 11.138 1.00 0.00 O ATOM 449 CB ALA A 31 59.532 0.165 9.259 1.00 0.00 C ATOM 0 H ALA A 31 58.685 -0.967 7.307 1.00 0.00 H new ATOM 0 HA ALA A 31 60.862 -1.568 9.203 1.00 0.00 H new ATOM 0 HB1 ALA A 31 59.879 0.490 10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.061 0.720 8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.462 0.352 9.172 1.00 0.00 H new ATOM 455 N ALA A 32 57.780 -2.335 9.974 1.00 0.00 N ATOM 456 CA ALA A 32 56.993 -3.105 10.983 1.00 0.00 C ATOM 457 C ALA A 32 57.415 -4.576 10.980 1.00 0.00 C ATOM 458 O ALA A 32 57.311 -5.264 11.977 1.00 0.00 O ATOM 459 CB ALA A 32 55.536 -2.967 10.543 1.00 0.00 C ATOM 0 H ALA A 32 57.247 -2.001 9.171 1.00 0.00 H new ATOM 0 HA ALA A 32 57.151 -2.733 11.995 1.00 0.00 H new ATOM 0 HB1 ALA A 32 54.893 -3.508 11.238 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.256 -1.913 10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.418 -3.381 9.542 1.00 0.00 H new ATOM 465 N LYS A 33 57.889 -5.063 9.868 1.00 0.00 N ATOM 466 CA LYS A 33 58.316 -6.487 9.801 1.00 0.00 C ATOM 467 C LYS A 33 59.751 -6.627 10.314 1.00 0.00 C ATOM 468 O LYS A 33 60.078 -7.551 11.032 1.00 0.00 O ATOM 469 CB LYS A 33 58.230 -6.860 8.321 1.00 0.00 C ATOM 470 CG LYS A 33 58.164 -8.381 8.181 1.00 0.00 C ATOM 471 CD LYS A 33 56.849 -8.774 7.507 1.00 0.00 C ATOM 472 CE LYS A 33 57.012 -10.133 6.823 1.00 0.00 C ATOM 473 NZ LYS A 33 57.157 -11.109 7.939 1.00 0.00 N ATOM 0 H LYS A 33 57.999 -4.536 9.002 1.00 0.00 H new ATOM 0 HA LYS A 33 57.694 -7.137 10.416 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.348 -6.404 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.097 -6.472 7.786 1.00 0.00 H new ATOM 0 HG2 LYS A 33 59.008 -8.740 7.592 1.00 0.00 H new ATOM 0 HG3 LYS A 33 58.237 -8.851 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 33 56.049 -8.821 8.246 1.00 0.00 H new ATOM 0 HD3 LYS A 33 56.563 -8.019 6.775 1.00 0.00 H new ATOM 0 HE2 LYS A 33 56.148 -10.369 6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 33 57.886 -10.145 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 57.019 -12.074 7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 58.108 -11.027 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 56.445 -10.909 8.670 1.00 0.00 H new ATOM 487 N TYR A 34 60.608 -5.709 9.958 1.00 0.00 N ATOM 488 CA TYR A 34 62.017 -5.785 10.434 1.00 0.00 C ATOM 489 C TYR A 34 62.150 -5.065 11.777 1.00 0.00 C ATOM 490 O TYR A 34 63.211 -5.019 12.366 1.00 0.00 O ATOM 491 CB TYR A 34 62.846 -5.082 9.359 1.00 0.00 C ATOM 492 CG TYR A 34 63.090 -6.037 8.215 1.00 0.00 C ATOM 493 CD1 TYR A 34 62.017 -6.480 7.433 1.00 0.00 C ATOM 494 CD2 TYR A 34 64.389 -6.485 7.941 1.00 0.00 C ATOM 495 CE1 TYR A 34 62.242 -7.369 6.375 1.00 0.00 C ATOM 496 CE2 TYR A 34 64.614 -7.374 6.884 1.00 0.00 C ATOM 497 CZ TYR A 34 63.540 -7.816 6.101 1.00 0.00 C ATOM 498 OH TYR A 34 63.761 -8.694 5.060 1.00 0.00 O ATOM 0 H TYR A 34 60.393 -4.912 9.359 1.00 0.00 H new ATOM 0 HA TYR A 34 62.349 -6.812 10.586 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.323 -4.195 9.002 1.00 0.00 H new ATOM 0 HB3 TYR A 34 63.795 -4.746 9.777 1.00 0.00 H new ATOM 0 HD1 TYR A 34 61.016 -6.136 7.646 1.00 0.00 H new ATOM 0 HD2 TYR A 34 65.217 -6.144 8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 34 61.414 -7.710 5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 34 65.615 -7.719 6.672 1.00 0.00 H new ATOM 0 HH TYR A 34 64.717 -8.903 5.006 1.00 0.00 H new ATOM 508 N ALA A 35 61.076 -4.506 12.268 1.00 0.00 N ATOM 509 CA ALA A 35 61.140 -3.795 13.576 1.00 0.00 C ATOM 510 C ALA A 35 61.739 -4.714 14.642 1.00 0.00 C ATOM 511 O ALA A 35 61.404 -5.877 14.729 1.00 0.00 O ATOM 512 CB ALA A 35 59.687 -3.458 13.914 1.00 0.00 C ATOM 0 H ALA A 35 60.160 -4.511 11.820 1.00 0.00 H new ATOM 0 HA ALA A 35 61.765 -2.903 13.534 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.648 -2.931 14.867 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.269 -2.824 13.132 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.107 -4.378 13.984 1.00 0.00 H new ATOM 518 N GLY A 36 62.626 -4.202 15.450 1.00 0.00 N ATOM 519 CA GLY A 36 63.247 -5.052 16.506 1.00 0.00 C ATOM 520 C GLY A 36 64.670 -5.421 16.087 1.00 0.00 C ATOM 521 O GLY A 36 65.563 -5.523 16.906 1.00 0.00 O ATOM 0 H GLY A 36 62.947 -3.234 15.425 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.263 -4.518 17.456 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.655 -5.954 16.657 1.00 0.00 H new ATOM 525 N GLN A 37 64.891 -5.623 14.815 1.00 0.00 N ATOM 526 CA GLN A 37 66.259 -5.984 14.345 1.00 0.00 C ATOM 527 C GLN A 37 67.274 -4.951 14.839 1.00 0.00 C ATOM 528 O GLN A 37 67.095 -3.761 14.673 1.00 0.00 O ATOM 529 CB GLN A 37 66.174 -5.968 12.818 1.00 0.00 C ATOM 530 CG GLN A 37 66.132 -7.406 12.297 1.00 0.00 C ATOM 531 CD GLN A 37 66.853 -7.485 10.949 1.00 0.00 C ATOM 532 OE1 GLN A 37 66.699 -6.617 10.113 1.00 0.00 O ATOM 533 NE2 GLN A 37 67.639 -8.497 10.703 1.00 0.00 N ATOM 0 H GLN A 37 64.184 -5.554 14.083 1.00 0.00 H new ATOM 0 HA GLN A 37 66.583 -6.954 14.722 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.283 -5.427 12.498 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.033 -5.443 12.400 1.00 0.00 H new ATOM 0 HG2 GLN A 37 66.605 -8.077 13.014 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.098 -7.734 12.188 1.00 0.00 H new ATOM 0 HE21 GLN A 37 67.768 -9.225 11.405 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.125 -8.560 9.808 1.00 0.00 H new ATOM 542 N ALA A 38 68.337 -5.397 15.449 1.00 0.00 N ATOM 543 CA ALA A 38 69.359 -4.441 15.958 1.00 0.00 C ATOM 544 C ALA A 38 70.380 -4.115 14.863 1.00 0.00 C ATOM 545 O ALA A 38 71.574 -4.195 15.074 1.00 0.00 O ATOM 546 CB ALA A 38 70.034 -5.166 17.123 1.00 0.00 C ATOM 0 H ALA A 38 68.542 -6.382 15.617 1.00 0.00 H new ATOM 0 HA ALA A 38 68.917 -3.494 16.267 1.00 0.00 H new ATOM 0 HB1 ALA A 38 70.803 -4.525 17.554 1.00 0.00 H new ATOM 0 HB2 ALA A 38 69.290 -5.403 17.884 1.00 0.00 H new ATOM 0 HB3 ALA A 38 70.490 -6.088 16.763 1.00 0.00 H new ATOM 552 N GLY A 39 69.923 -3.745 13.697 1.00 0.00 N ATOM 553 CA GLY A 39 70.875 -3.413 12.599 1.00 0.00 C ATOM 554 C GLY A 39 70.293 -3.857 11.255 1.00 0.00 C ATOM 555 O GLY A 39 70.909 -4.600 10.517 1.00 0.00 O ATOM 0 H GLY A 39 68.935 -3.659 13.458 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.068 -2.340 12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 39 71.831 -3.907 12.773 1.00 0.00 H new ATOM 559 N ALA A 40 69.114 -3.404 10.929 1.00 0.00 N ATOM 560 CA ALA A 40 68.499 -3.798 9.632 1.00 0.00 C ATOM 561 C ALA A 40 68.892 -2.803 8.539 1.00 0.00 C ATOM 562 O ALA A 40 68.879 -3.115 7.366 1.00 0.00 O ATOM 563 CB ALA A 40 66.990 -3.760 9.878 1.00 0.00 C ATOM 0 H ALA A 40 68.551 -2.778 11.505 1.00 0.00 H new ATOM 0 HA ALA A 40 68.830 -4.782 9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.465 -4.040 8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.733 -4.460 10.673 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.695 -2.753 10.172 1.00 0.00 H new ATOM 569 N GLU A 41 69.246 -1.605 8.916 1.00 0.00 N ATOM 570 CA GLU A 41 69.645 -0.592 7.898 1.00 0.00 C ATOM 571 C GLU A 41 71.005 -0.962 7.304 1.00 0.00 C ATOM 572 O GLU A 41 71.326 -0.602 6.188 1.00 0.00 O ATOM 573 CB GLU A 41 69.735 0.727 8.666 1.00 0.00 C ATOM 574 CG GLU A 41 70.852 0.634 9.706 1.00 0.00 C ATOM 575 CD GLU A 41 71.201 2.036 10.210 1.00 0.00 C ATOM 576 OE1 GLU A 41 70.369 2.629 10.875 1.00 0.00 O ATOM 577 OE2 GLU A 41 72.296 2.491 9.922 1.00 0.00 O ATOM 0 H GLU A 41 69.276 -1.284 9.884 1.00 0.00 H new ATOM 0 HA GLU A 41 68.938 -0.531 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 41 69.932 1.549 7.977 1.00 0.00 H new ATOM 0 HB3 GLU A 41 68.785 0.941 9.155 1.00 0.00 H new ATOM 0 HG2 GLU A 41 70.536 0.005 10.539 1.00 0.00 H new ATOM 0 HG3 GLU A 41 71.733 0.164 9.268 1.00 0.00 H new ATOM 584 N ALA A 42 71.807 -1.682 8.039 1.00 0.00 N ATOM 585 CA ALA A 42 73.144 -2.078 7.513 1.00 0.00 C ATOM 586 C ALA A 42 72.979 -3.085 6.376 1.00 0.00 C ATOM 587 O ALA A 42 73.514 -2.912 5.297 1.00 0.00 O ATOM 588 CB ALA A 42 73.869 -2.715 8.699 1.00 0.00 C ATOM 0 H ALA A 42 71.595 -2.013 8.980 1.00 0.00 H new ATOM 0 HA ALA A 42 73.699 -1.231 7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 42 74.864 -3.033 8.389 1.00 0.00 H new ATOM 0 HB2 ALA A 42 73.956 -1.987 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.304 -3.579 9.049 1.00 0.00 H new ATOM 594 N TYR A 43 72.230 -4.131 6.598 1.00 0.00 N ATOM 595 CA TYR A 43 72.028 -5.131 5.515 1.00 0.00 C ATOM 596 C TYR A 43 71.116 -4.532 4.452 1.00 0.00 C ATOM 597 O TYR A 43 71.206 -4.855 3.285 1.00 0.00 O ATOM 598 CB TYR A 43 71.377 -6.333 6.203 1.00 0.00 C ATOM 599 CG TYR A 43 70.724 -7.226 5.175 1.00 0.00 C ATOM 600 CD1 TYR A 43 69.440 -6.927 4.704 1.00 0.00 C ATOM 601 CD2 TYR A 43 71.399 -8.357 4.704 1.00 0.00 C ATOM 602 CE1 TYR A 43 68.831 -7.761 3.760 1.00 0.00 C ATOM 603 CE2 TYR A 43 70.791 -9.191 3.758 1.00 0.00 C ATOM 604 CZ TYR A 43 69.507 -8.892 3.285 1.00 0.00 C ATOM 605 OH TYR A 43 68.905 -9.715 2.355 1.00 0.00 O ATOM 0 H TYR A 43 71.753 -4.334 7.476 1.00 0.00 H new ATOM 0 HA TYR A 43 72.952 -5.422 5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 43 72.128 -6.894 6.760 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.634 -5.991 6.924 1.00 0.00 H new ATOM 0 HD1 TYR A 43 68.920 -6.054 5.069 1.00 0.00 H new ATOM 0 HD2 TYR A 43 72.389 -8.587 5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 43 67.840 -7.533 3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 43 71.312 -10.064 3.393 1.00 0.00 H new ATOM 0 HH TYR A 43 67.946 -9.516 2.315 1.00 0.00 H new ATOM 615 N LEU A 44 70.264 -3.628 4.842 1.00 0.00 N ATOM 616 CA LEU A 44 69.379 -2.976 3.846 1.00 0.00 C ATOM 617 C LEU A 44 70.250 -2.107 2.942 1.00 0.00 C ATOM 618 O LEU A 44 69.939 -1.869 1.796 1.00 0.00 O ATOM 619 CB LEU A 44 68.409 -2.123 4.665 1.00 0.00 C ATOM 620 CG LEU A 44 67.266 -3.003 5.176 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.412 -2.211 6.169 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.399 -3.444 3.996 1.00 0.00 C ATOM 0 H LEU A 44 70.144 -3.314 5.805 1.00 0.00 H new ATOM 0 HA LEU A 44 68.834 -3.679 3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 44 68.931 -1.663 5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.013 -1.313 4.052 1.00 0.00 H new ATOM 0 HG LEU A 44 67.678 -3.880 5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.599 -2.840 6.532 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.030 -1.896 7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 44 65.998 -1.333 5.674 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.584 -4.071 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.988 -2.566 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 44 67.006 -4.010 3.290 1.00 0.00 H new ATOM 634 N ALA A 45 71.361 -1.653 3.457 1.00 0.00 N ATOM 635 CA ALA A 45 72.275 -0.817 2.638 1.00 0.00 C ATOM 636 C ALA A 45 73.062 -1.706 1.674 1.00 0.00 C ATOM 637 O ALA A 45 73.334 -1.332 0.549 1.00 0.00 O ATOM 638 CB ALA A 45 73.213 -0.152 3.644 1.00 0.00 C ATOM 0 H ALA A 45 71.673 -1.827 4.412 1.00 0.00 H new ATOM 0 HA ALA A 45 71.742 -0.081 2.036 1.00 0.00 H new ATOM 0 HB1 ALA A 45 73.922 0.485 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.631 0.452 4.340 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.757 -0.918 4.196 1.00 0.00 H new ATOM 644 N GLN A 46 73.427 -2.885 2.103 1.00 0.00 N ATOM 645 CA GLN A 46 74.192 -3.791 1.202 1.00 0.00 C ATOM 646 C GLN A 46 73.260 -4.396 0.151 1.00 0.00 C ATOM 647 O GLN A 46 73.676 -4.744 -0.935 1.00 0.00 O ATOM 648 CB GLN A 46 74.758 -4.879 2.116 1.00 0.00 C ATOM 649 CG GLN A 46 76.247 -4.622 2.353 1.00 0.00 C ATOM 650 CD GLN A 46 76.945 -5.937 2.706 1.00 0.00 C ATOM 651 OE1 GLN A 46 76.354 -6.995 2.618 1.00 0.00 O ATOM 652 NE2 GLN A 46 78.188 -5.915 3.102 1.00 0.00 N ATOM 0 H GLN A 46 73.230 -3.257 3.032 1.00 0.00 H new ATOM 0 HA GLN A 46 74.981 -3.268 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 46 74.223 -4.885 3.066 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.615 -5.860 1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.698 -4.187 1.461 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.378 -3.901 3.160 1.00 0.00 H new ATOM 0 HE21 GLN A 46 78.684 -5.027 3.176 1.00 0.00 H new ATOM 0 HE22 GLN A 46 78.664 -6.786 3.338 1.00 0.00 H new ATOM 661 N ARG A 47 72.000 -4.512 0.462 1.00 0.00 N ATOM 662 CA ARG A 47 71.046 -5.083 -0.527 1.00 0.00 C ATOM 663 C ARG A 47 70.484 -3.965 -1.397 1.00 0.00 C ATOM 664 O ARG A 47 69.957 -4.202 -2.462 1.00 0.00 O ATOM 665 CB ARG A 47 69.944 -5.735 0.305 1.00 0.00 C ATOM 666 CG ARG A 47 70.473 -7.026 0.927 1.00 0.00 C ATOM 667 CD ARG A 47 69.920 -8.231 0.159 1.00 0.00 C ATOM 668 NE ARG A 47 70.922 -9.314 0.371 1.00 0.00 N ATOM 669 CZ ARG A 47 72.032 -9.328 -0.317 1.00 0.00 C ATOM 670 NH1 ARG A 47 72.273 -8.393 -1.197 1.00 0.00 N ATOM 671 NH2 ARG A 47 72.906 -10.279 -0.124 1.00 0.00 N ATOM 0 H ARG A 47 71.591 -4.237 1.355 1.00 0.00 H new ATOM 0 HA ARG A 47 71.516 -5.805 -1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.611 -5.052 1.086 1.00 0.00 H new ATOM 0 HB3 ARG A 47 69.078 -5.949 -0.322 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.563 -7.034 0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 47 70.179 -7.084 1.975 1.00 0.00 H new ATOM 0 HD2 ARG A 47 68.939 -8.522 0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 47 69.802 -8.004 -0.901 1.00 0.00 H new ATOM 0 HE ARG A 47 70.740 -10.047 1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 47 71.593 -7.648 -1.349 1.00 0.00 H new ATOM 0 HH12 ARG A 47 73.141 -8.408 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.721 -11.010 0.563 1.00 0.00 H new ATOM 0 HH22 ARG A 47 73.773 -10.291 -0.661 1.00 0.00 H new ATOM 685 N ILE A 48 70.608 -2.744 -0.957 1.00 0.00 N ATOM 686 CA ILE A 48 70.100 -1.607 -1.769 1.00 0.00 C ATOM 687 C ILE A 48 71.170 -1.191 -2.780 1.00 0.00 C ATOM 688 O ILE A 48 70.872 -0.660 -3.832 1.00 0.00 O ATOM 689 CB ILE A 48 69.836 -0.483 -0.766 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.526 -0.765 -0.024 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.725 0.851 -1.506 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.437 0.132 1.212 1.00 0.00 C ATOM 0 H ILE A 48 71.040 -2.486 -0.070 1.00 0.00 H new ATOM 0 HA ILE A 48 69.200 -1.858 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 48 70.658 -0.432 -0.052 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.676 -0.582 -0.682 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.481 -1.814 0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.537 1.650 -0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.656 1.051 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.903 0.804 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.505 -0.068 1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.280 -0.073 1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.463 1.178 0.905 1.00 0.00 H new ATOM 704 N LYS A 49 72.420 -1.435 -2.471 1.00 0.00 N ATOM 705 CA LYS A 49 73.507 -1.059 -3.418 1.00 0.00 C ATOM 706 C LYS A 49 73.726 -2.175 -4.445 1.00 0.00 C ATOM 707 O LYS A 49 74.344 -1.973 -5.472 1.00 0.00 O ATOM 708 CB LYS A 49 74.753 -0.880 -2.546 1.00 0.00 C ATOM 709 CG LYS A 49 75.942 -0.494 -3.429 1.00 0.00 C ATOM 710 CD LYS A 49 77.160 -0.197 -2.549 1.00 0.00 C ATOM 711 CE LYS A 49 78.011 0.894 -3.204 1.00 0.00 C ATOM 712 NZ LYS A 49 79.353 0.276 -3.389 1.00 0.00 N ATOM 0 H LYS A 49 72.731 -1.877 -1.606 1.00 0.00 H new ATOM 0 HA LYS A 49 73.269 -0.155 -3.978 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.578 -0.109 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.970 -1.803 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 49 76.171 -1.303 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.693 0.381 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.837 0.125 -1.559 1.00 0.00 H new ATOM 0 HD3 LYS A 49 77.752 -1.102 -2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 49 77.586 1.207 -4.158 1.00 0.00 H new ATOM 0 HE3 LYS A 49 78.069 1.781 -2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 79.994 0.964 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 79.736 -0.006 -2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 79.268 -0.562 -3.999 1.00 0.00 H new ATOM 726 N ASN A 50 73.225 -3.353 -4.179 1.00 0.00 N ATOM 727 CA ASN A 50 73.412 -4.477 -5.145 1.00 0.00 C ATOM 728 C ASN A 50 72.076 -5.175 -5.425 1.00 0.00 C ATOM 729 O ASN A 50 72.000 -6.099 -6.211 1.00 0.00 O ATOM 730 CB ASN A 50 74.381 -5.436 -4.455 1.00 0.00 C ATOM 731 CG ASN A 50 75.328 -6.037 -5.494 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.597 -5.428 -6.511 1.00 0.00 O ATOM 733 ND2 ASN A 50 75.847 -7.215 -5.283 1.00 0.00 N ATOM 0 H ASN A 50 72.696 -3.585 -3.338 1.00 0.00 H new ATOM 0 HA ASN A 50 73.792 -4.130 -6.106 1.00 0.00 H new ATOM 0 HB2 ASN A 50 74.951 -4.907 -3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.828 -6.228 -3.950 1.00 0.00 H new ATOM 0 HD21 ASN A 50 76.478 -7.625 -5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 50 75.621 -7.726 -4.430 1.00 0.00 H new ATOM 740 N GLY A 51 71.024 -4.737 -4.790 1.00 0.00 N ATOM 741 CA GLY A 51 69.687 -5.370 -5.015 1.00 0.00 C ATOM 742 C GLY A 51 69.788 -6.881 -4.782 1.00 0.00 C ATOM 743 O GLY A 51 70.869 -7.422 -4.665 1.00 0.00 O ATOM 0 H GLY A 51 71.029 -3.966 -4.122 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.950 -4.936 -4.340 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.345 -5.170 -6.031 1.00 0.00 H new ATOM 747 N SER A 52 68.677 -7.582 -4.711 1.00 0.00 N ATOM 748 CA SER A 52 68.768 -9.065 -4.484 1.00 0.00 C ATOM 749 C SER A 52 67.388 -9.699 -4.246 1.00 0.00 C ATOM 750 O SER A 52 66.399 -9.017 -4.076 1.00 0.00 O ATOM 751 CB SER A 52 69.638 -9.221 -3.237 1.00 0.00 C ATOM 752 OG SER A 52 70.741 -10.065 -3.538 1.00 0.00 O ATOM 0 H SER A 52 67.734 -7.204 -4.798 1.00 0.00 H new ATOM 0 HA SER A 52 69.183 -9.568 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 52 69.992 -8.246 -2.902 1.00 0.00 H new ATOM 0 HB3 SER A 52 69.052 -9.645 -2.421 1.00 0.00 H new ATOM 0 HG SER A 52 71.387 -9.575 -4.089 1.00 0.00 H new ATOM 758 N GLN A 53 67.326 -11.010 -4.229 1.00 0.00 N ATOM 759 CA GLN A 53 66.021 -11.704 -3.999 1.00 0.00 C ATOM 760 C GLN A 53 66.028 -12.382 -2.621 1.00 0.00 C ATOM 761 O GLN A 53 66.961 -12.239 -1.857 1.00 0.00 O ATOM 762 CB GLN A 53 65.898 -12.718 -5.163 1.00 0.00 C ATOM 763 CG GLN A 53 66.011 -14.175 -4.684 1.00 0.00 C ATOM 764 CD GLN A 53 67.368 -14.396 -4.011 1.00 0.00 C ATOM 765 OE1 GLN A 53 68.431 -13.825 -4.509 1.00 0.00 O flip ATOM 766 NE2 GLN A 53 67.463 -15.098 -3.024 1.00 0.00 N flip ATOM 0 H GLN A 53 68.125 -11.629 -4.365 1.00 0.00 H new ATOM 0 HA GLN A 53 65.167 -11.027 -3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.941 -12.576 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.677 -12.519 -5.899 1.00 0.00 H new ATOM 0 HG2 GLN A 53 65.207 -14.401 -3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.899 -14.855 -5.529 1.00 0.00 H new ATOM 0 HE21 GLN A 53 66.633 -15.545 -2.634 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.373 -15.241 -2.585 1.00 0.00 H new ATOM 775 N GLY A 54 64.995 -13.109 -2.293 1.00 0.00 N ATOM 776 CA GLY A 54 64.954 -13.777 -0.963 1.00 0.00 C ATOM 777 C GLY A 54 64.756 -12.708 0.108 1.00 0.00 C ATOM 778 O GLY A 54 65.111 -12.883 1.255 1.00 0.00 O ATOM 0 H GLY A 54 64.181 -13.268 -2.886 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.142 -14.503 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 54 65.879 -14.325 -0.785 1.00 0.00 H new ATOM 782 N VAL A 55 64.197 -11.595 -0.274 1.00 0.00 N ATOM 783 CA VAL A 55 63.974 -10.494 0.697 1.00 0.00 C ATOM 784 C VAL A 55 62.490 -10.410 1.057 1.00 0.00 C ATOM 785 O VAL A 55 62.097 -10.651 2.182 1.00 0.00 O ATOM 786 CB VAL A 55 64.430 -9.242 -0.051 1.00 0.00 C ATOM 787 CG1 VAL A 55 64.393 -8.036 0.883 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.859 -9.448 -0.552 1.00 0.00 C ATOM 0 H VAL A 55 63.883 -11.401 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 55 64.513 -10.631 1.635 1.00 0.00 H new ATOM 0 HB VAL A 55 63.763 -9.064 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.719 -7.147 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 55 63.376 -7.887 1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 55 65.057 -8.211 1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 55 66.189 -8.557 -1.087 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.520 -9.628 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.889 -10.306 -1.224 1.00 0.00 H new ATOM 798 N TRP A 56 61.662 -10.073 0.109 1.00 0.00 N ATOM 799 CA TRP A 56 60.207 -9.975 0.389 1.00 0.00 C ATOM 800 C TRP A 56 59.436 -10.938 -0.516 1.00 0.00 C ATOM 801 O TRP A 56 58.464 -11.545 -0.112 1.00 0.00 O ATOM 802 CB TRP A 56 59.852 -8.535 0.056 1.00 0.00 C ATOM 803 CG TRP A 56 60.429 -7.628 1.095 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.576 -6.926 0.955 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.920 -7.320 2.426 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.803 -6.204 2.113 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.811 -6.414 3.048 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.783 -7.731 3.147 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.585 -5.934 4.337 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.554 -7.248 4.446 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.454 -6.353 5.038 1.00 0.00 C ATOM 0 H TRP A 56 61.933 -9.861 -0.851 1.00 0.00 H new ATOM 0 HA TRP A 56 59.957 -10.234 1.418 1.00 0.00 H new ATOM 0 HB2 TRP A 56 60.240 -8.272 -0.928 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.769 -8.416 0.014 1.00 0.00 H new ATOM 0 HD1 TRP A 56 62.211 -6.928 0.082 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.606 -5.591 2.258 1.00 0.00 H new ATOM 0 HE3 TRP A 56 58.083 -8.421 2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.280 -5.243 4.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.679 -7.569 4.991 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.272 -5.987 6.038 1.00 0.00 H new ATOM 822 N GLY A 57 59.865 -11.081 -1.741 1.00 0.00 N ATOM 823 CA GLY A 57 59.161 -12.002 -2.677 1.00 0.00 C ATOM 824 C GLY A 57 60.133 -12.469 -3.767 1.00 0.00 C ATOM 825 O GLY A 57 61.307 -12.162 -3.717 1.00 0.00 O ATOM 0 H GLY A 57 60.674 -10.599 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.770 -12.861 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 57 58.308 -11.496 -3.129 1.00 0.00 H new ATOM 829 N PRO A 58 59.609 -13.200 -4.723 1.00 0.00 N ATOM 830 CA PRO A 58 60.435 -13.722 -5.843 1.00 0.00 C ATOM 831 C PRO A 58 60.895 -12.597 -6.786 1.00 0.00 C ATOM 832 O PRO A 58 61.472 -12.856 -7.824 1.00 0.00 O ATOM 833 CB PRO A 58 59.459 -14.657 -6.566 1.00 0.00 C ATOM 834 CG PRO A 58 58.104 -14.622 -5.833 1.00 0.00 C ATOM 835 CD PRO A 58 58.171 -13.559 -4.730 1.00 0.00 C ATOM 0 HA PRO A 58 61.351 -14.206 -5.504 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.335 -14.345 -7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.853 -15.673 -6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.301 -14.390 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.881 -15.599 -5.404 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.539 -12.700 -4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.845 -13.952 -3.767 1.00 0.00 H new ATOM 843 N ILE A 59 60.647 -11.358 -6.450 1.00 0.00 N ATOM 844 CA ILE A 59 61.083 -10.247 -7.345 1.00 0.00 C ATOM 845 C ILE A 59 62.267 -9.496 -6.723 1.00 0.00 C ATOM 846 O ILE A 59 62.087 -8.460 -6.117 1.00 0.00 O ATOM 847 CB ILE A 59 59.874 -9.317 -7.460 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.600 -10.141 -7.657 1.00 0.00 C ATOM 849 CG2 ILE A 59 60.062 -8.384 -8.658 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.424 -9.197 -7.920 1.00 0.00 C ATOM 0 H ILE A 59 60.164 -11.069 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 59 61.408 -10.616 -8.318 1.00 0.00 H new ATOM 0 HB ILE A 59 59.786 -8.730 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.723 -10.829 -8.494 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.404 -10.747 -6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 59 59.201 -7.721 -8.741 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.965 -7.790 -8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 59 60.154 -8.975 -9.569 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.514 -9.780 -8.061 1.00 0.00 H new ATOM 0 HD12 ILE A 59 57.298 -8.527 -7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.622 -8.611 -8.817 1.00 0.00 H new ATOM 862 N PRO A 60 63.447 -10.039 -6.896 1.00 0.00 N ATOM 863 CA PRO A 60 64.669 -9.403 -6.346 1.00 0.00 C ATOM 864 C PRO A 60 64.808 -7.962 -6.827 1.00 0.00 C ATOM 865 O PRO A 60 64.462 -7.631 -7.945 1.00 0.00 O ATOM 866 CB PRO A 60 65.787 -10.268 -6.932 1.00 0.00 C ATOM 867 CG PRO A 60 65.156 -11.382 -7.789 1.00 0.00 C ATOM 868 CD PRO A 60 63.631 -11.302 -7.646 1.00 0.00 C ATOM 0 HA PRO A 60 64.671 -9.353 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.457 -9.659 -7.539 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.387 -10.702 -6.132 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.445 -11.266 -8.834 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.516 -12.359 -7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 60 63.133 -11.275 -8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 60 63.228 -12.158 -7.105 1.00 0.00 H new ATOM 876 N MET A 61 65.329 -7.108 -5.997 1.00 0.00 N ATOM 877 CA MET A 61 65.514 -5.694 -6.404 1.00 0.00 C ATOM 878 C MET A 61 66.762 -5.571 -7.278 1.00 0.00 C ATOM 879 O MET A 61 67.796 -6.106 -6.934 1.00 0.00 O ATOM 880 CB MET A 61 65.733 -4.944 -5.096 1.00 0.00 C ATOM 881 CG MET A 61 66.146 -3.501 -5.398 1.00 0.00 C ATOM 882 SD MET A 61 66.124 -2.531 -3.869 1.00 0.00 S ATOM 883 CE MET A 61 67.271 -3.561 -2.927 1.00 0.00 C ATOM 0 H MET A 61 65.636 -7.330 -5.050 1.00 0.00 H new ATOM 0 HA MET A 61 64.668 -5.308 -6.972 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.820 -4.955 -4.501 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.504 -5.438 -4.506 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.143 -3.482 -5.839 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.466 -3.063 -6.129 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.378 -3.159 -1.920 1.00 0.00 H new ATOM 0 HE2 MET A 61 66.885 -4.579 -2.872 1.00 0.00 H new ATOM 0 HE3 MET A 61 68.243 -3.568 -3.420 1.00 0.00 H new ATOM 893 N PRO A 62 66.644 -4.862 -8.373 1.00 0.00 N ATOM 894 CA PRO A 62 67.804 -4.666 -9.267 1.00 0.00 C ATOM 895 C PRO A 62 68.847 -3.798 -8.549 1.00 0.00 C ATOM 896 O PRO A 62 68.492 -2.840 -7.892 1.00 0.00 O ATOM 897 CB PRO A 62 67.190 -3.919 -10.456 1.00 0.00 C ATOM 898 CG PRO A 62 65.688 -3.709 -10.183 1.00 0.00 C ATOM 899 CD PRO A 62 65.365 -4.237 -8.779 1.00 0.00 C ATOM 0 HA PRO A 62 68.310 -5.585 -9.564 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.687 -2.959 -10.597 1.00 0.00 H new ATOM 0 HB3 PRO A 62 67.331 -4.489 -11.374 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.435 -2.651 -10.257 1.00 0.00 H new ATOM 0 HG3 PRO A 62 65.091 -4.232 -10.930 1.00 0.00 H new ATOM 0 HD2 PRO A 62 65.071 -3.436 -8.101 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.547 -4.958 -8.794 1.00 0.00 H new ATOM 907 N PRO A 63 70.097 -4.155 -8.682 1.00 0.00 N ATOM 908 CA PRO A 63 71.172 -3.385 -8.016 1.00 0.00 C ATOM 909 C PRO A 63 71.138 -1.925 -8.476 1.00 0.00 C ATOM 910 O PRO A 63 70.904 -1.633 -9.631 1.00 0.00 O ATOM 911 CB PRO A 63 72.440 -4.095 -8.493 1.00 0.00 C ATOM 912 CG PRO A 63 72.036 -5.256 -9.425 1.00 0.00 C ATOM 913 CD PRO A 63 70.505 -5.323 -9.495 1.00 0.00 C ATOM 0 HA PRO A 63 71.089 -3.354 -6.930 1.00 0.00 H new ATOM 0 HB2 PRO A 63 73.089 -3.396 -9.020 1.00 0.00 H new ATOM 0 HB3 PRO A 63 73.004 -4.473 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.453 -5.104 -10.420 1.00 0.00 H new ATOM 0 HG3 PRO A 63 72.438 -6.198 -9.051 1.00 0.00 H new ATOM 0 HD2 PRO A 63 70.142 -5.251 -10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 63 70.120 -6.257 -9.086 1.00 0.00 H new ATOM 921 N ASN A 64 71.356 -1.005 -7.577 1.00 0.00 N ATOM 922 CA ASN A 64 71.320 0.435 -7.964 1.00 0.00 C ATOM 923 C ASN A 64 72.711 1.064 -7.848 1.00 0.00 C ATOM 924 O ASN A 64 73.632 0.470 -7.326 1.00 0.00 O ATOM 925 CB ASN A 64 70.357 1.084 -6.968 1.00 0.00 C ATOM 926 CG ASN A 64 68.998 0.384 -7.041 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.852 -0.789 -6.488 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.060 0.912 -7.604 1.00 0.00 N flip ATOM 0 H ASN A 64 71.557 -1.187 -6.594 1.00 0.00 H new ATOM 0 HA ASN A 64 71.002 0.572 -8.998 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.760 1.014 -5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.244 2.144 -7.193 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.175 1.829 -8.036 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.157 0.439 -7.645 1.00 0.00 H new ATOM 935 N ALA A 65 72.863 2.269 -8.328 1.00 0.00 N ATOM 936 CA ALA A 65 74.188 2.946 -8.245 1.00 0.00 C ATOM 937 C ALA A 65 74.192 3.939 -7.080 1.00 0.00 C ATOM 938 O ALA A 65 74.579 5.081 -7.223 1.00 0.00 O ATOM 939 CB ALA A 65 74.344 3.680 -9.577 1.00 0.00 C ATOM 0 H ALA A 65 72.125 2.814 -8.774 1.00 0.00 H new ATOM 0 HA ALA A 65 75.004 2.244 -8.072 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.299 4.205 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.312 2.960 -10.395 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.533 4.399 -9.694 1.00 0.00 H new ATOM 945 N VAL A 66 73.760 3.508 -5.925 1.00 0.00 N ATOM 946 CA VAL A 66 73.736 4.425 -4.747 1.00 0.00 C ATOM 947 C VAL A 66 74.927 4.135 -3.830 1.00 0.00 C ATOM 948 O VAL A 66 74.959 3.132 -3.145 1.00 0.00 O ATOM 949 CB VAL A 66 72.420 4.118 -4.022 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.247 4.663 -4.839 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.262 2.604 -3.855 1.00 0.00 C ATOM 0 H VAL A 66 73.423 2.562 -5.746 1.00 0.00 H new ATOM 0 HA VAL A 66 73.803 5.472 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 66 72.433 4.591 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.312 4.445 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.354 5.742 -4.955 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.238 4.192 -5.822 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.326 2.391 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.253 2.129 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.095 2.213 -3.271 1.00 0.00 H new ATOM 961 N SER A 67 75.904 5.005 -3.809 1.00 0.00 N ATOM 962 CA SER A 67 77.087 4.774 -2.928 1.00 0.00 C ATOM 963 C SER A 67 76.618 4.256 -1.568 1.00 0.00 C ATOM 964 O SER A 67 75.546 4.586 -1.117 1.00 0.00 O ATOM 965 CB SER A 67 77.751 6.143 -2.784 1.00 0.00 C ATOM 966 OG SER A 67 77.709 6.817 -4.034 1.00 0.00 O ATOM 0 H SER A 67 75.934 5.862 -4.362 1.00 0.00 H new ATOM 0 HA SER A 67 77.777 4.035 -3.336 1.00 0.00 H new ATOM 0 HB2 SER A 67 77.238 6.731 -2.023 1.00 0.00 H new ATOM 0 HB3 SER A 67 78.784 6.027 -2.455 1.00 0.00 H new ATOM 0 HG SER A 67 78.132 7.696 -3.946 1.00 0.00 H new ATOM 972 N ASP A 68 77.396 3.440 -0.918 1.00 0.00 N ATOM 973 CA ASP A 68 76.961 2.901 0.405 1.00 0.00 C ATOM 974 C ASP A 68 76.327 4.004 1.258 1.00 0.00 C ATOM 975 O ASP A 68 75.373 3.771 1.972 1.00 0.00 O ATOM 976 CB ASP A 68 78.236 2.372 1.064 1.00 0.00 C ATOM 977 CG ASP A 68 77.903 1.820 2.451 1.00 0.00 C ATOM 978 OD1 ASP A 68 77.127 2.454 3.149 1.00 0.00 O ATOM 979 OD2 ASP A 68 78.428 0.774 2.794 1.00 0.00 O ATOM 0 H ASP A 68 78.310 3.122 -1.240 1.00 0.00 H new ATOM 0 HA ASP A 68 76.207 2.121 0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.680 1.591 0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.974 3.170 1.146 1.00 0.00 H new ATOM 984 N ASP A 69 76.841 5.202 1.193 1.00 0.00 N ATOM 985 CA ASP A 69 76.247 6.302 2.009 1.00 0.00 C ATOM 986 C ASP A 69 74.820 6.590 1.536 1.00 0.00 C ATOM 987 O ASP A 69 73.913 6.755 2.329 1.00 0.00 O ATOM 988 CB ASP A 69 77.149 7.514 1.771 1.00 0.00 C ATOM 989 CG ASP A 69 76.770 8.629 2.748 1.00 0.00 C ATOM 990 OD1 ASP A 69 75.592 8.760 3.038 1.00 0.00 O ATOM 991 OD2 ASP A 69 77.663 9.334 3.188 1.00 0.00 O ATOM 0 H ASP A 69 77.639 5.467 0.616 1.00 0.00 H new ATOM 0 HA ASP A 69 76.189 6.047 3.067 1.00 0.00 H new ATOM 0 HB2 ASP A 69 78.194 7.236 1.907 1.00 0.00 H new ATOM 0 HB3 ASP A 69 77.043 7.864 0.744 1.00 0.00 H new ATOM 996 N GLU A 70 74.613 6.650 0.250 1.00 0.00 N ATOM 997 CA GLU A 70 73.245 6.925 -0.274 1.00 0.00 C ATOM 998 C GLU A 70 72.302 5.767 0.065 1.00 0.00 C ATOM 999 O GLU A 70 71.202 5.970 0.537 1.00 0.00 O ATOM 1000 CB GLU A 70 73.419 7.056 -1.788 1.00 0.00 C ATOM 1001 CG GLU A 70 74.481 8.115 -2.090 1.00 0.00 C ATOM 1002 CD GLU A 70 74.520 8.383 -3.596 1.00 0.00 C ATOM 1003 OE1 GLU A 70 74.327 7.445 -4.351 1.00 0.00 O ATOM 1004 OE2 GLU A 70 74.743 9.524 -3.969 1.00 0.00 O ATOM 0 H GLU A 70 75.332 6.520 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 70 72.808 7.823 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 70 73.714 6.098 -2.215 1.00 0.00 H new ATOM 0 HB3 GLU A 70 72.472 7.333 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 70 74.255 9.036 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 70 75.457 7.775 -1.745 1.00 0.00 H new ATOM 1011 N ALA A 71 72.726 4.555 -0.162 1.00 0.00 N ATOM 1012 CA ALA A 71 71.856 3.391 0.160 1.00 0.00 C ATOM 1013 C ALA A 71 71.731 3.262 1.677 1.00 0.00 C ATOM 1014 O ALA A 71 70.813 2.651 2.187 1.00 0.00 O ATOM 1015 CB ALA A 71 72.576 2.179 -0.431 1.00 0.00 C ATOM 0 H ALA A 71 73.637 4.321 -0.556 1.00 0.00 H new ATOM 0 HA ALA A 71 70.848 3.490 -0.244 1.00 0.00 H new ATOM 0 HB1 ALA A 71 71.994 1.278 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 71 72.687 2.311 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.561 2.082 0.026 1.00 0.00 H new ATOM 1021 N GLN A 72 72.642 3.855 2.400 1.00 0.00 N ATOM 1022 CA GLN A 72 72.573 3.792 3.881 1.00 0.00 C ATOM 1023 C GLN A 72 71.447 4.705 4.346 1.00 0.00 C ATOM 1024 O GLN A 72 70.634 4.345 5.175 1.00 0.00 O ATOM 1025 CB GLN A 72 73.932 4.302 4.363 1.00 0.00 C ATOM 1026 CG GLN A 72 73.828 4.722 5.828 1.00 0.00 C ATOM 1027 CD GLN A 72 75.104 4.315 6.569 1.00 0.00 C ATOM 1028 OE1 GLN A 72 76.153 4.190 5.971 1.00 0.00 O ATOM 1029 NE2 GLN A 72 75.057 4.101 7.856 1.00 0.00 N ATOM 0 H GLN A 72 73.431 4.381 2.025 1.00 0.00 H new ATOM 0 HA GLN A 72 72.373 2.793 4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.686 3.523 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 72 74.252 5.147 3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 72 73.682 5.800 5.899 1.00 0.00 H new ATOM 0 HG3 GLN A 72 72.960 4.252 6.291 1.00 0.00 H new ATOM 0 HE21 GLN A 72 74.176 4.206 8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 72 75.902 3.829 8.359 1.00 0.00 H new ATOM 1038 N THR A 73 71.375 5.879 3.784 1.00 0.00 N ATOM 1039 CA THR A 73 70.282 6.812 4.153 1.00 0.00 C ATOM 1040 C THR A 73 68.976 6.261 3.589 1.00 0.00 C ATOM 1041 O THR A 73 67.907 6.483 4.122 1.00 0.00 O ATOM 1042 CB THR A 73 70.642 8.140 3.487 1.00 0.00 C ATOM 1043 OG1 THR A 73 71.921 8.565 3.937 1.00 0.00 O ATOM 1044 CG2 THR A 73 69.595 9.193 3.849 1.00 0.00 C ATOM 0 H THR A 73 72.028 6.231 3.084 1.00 0.00 H new ATOM 0 HA THR A 73 70.163 6.936 5.229 1.00 0.00 H new ATOM 0 HB THR A 73 70.664 8.010 2.405 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.618 8.091 3.437 1.00 0.00 H new ATOM 0 HG21 THR A 73 69.852 10.140 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.615 8.866 3.501 1.00 0.00 H new ATOM 0 HG23 THR A 73 69.570 9.325 4.931 1.00 0.00 H new ATOM 1052 N LEU A 74 69.065 5.521 2.514 1.00 0.00 N ATOM 1053 CA LEU A 74 67.840 4.927 1.909 1.00 0.00 C ATOM 1054 C LEU A 74 67.247 3.903 2.875 1.00 0.00 C ATOM 1055 O LEU A 74 66.054 3.858 3.092 1.00 0.00 O ATOM 1056 CB LEU A 74 68.314 4.247 0.622 1.00 0.00 C ATOM 1057 CG LEU A 74 68.556 5.309 -0.454 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.231 4.664 -1.667 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.215 5.913 -0.879 1.00 0.00 C ATOM 0 H LEU A 74 69.936 5.303 2.030 1.00 0.00 H new ATOM 0 HA LEU A 74 67.069 5.669 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.231 3.688 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.567 3.530 0.280 1.00 0.00 H new ATOM 0 HG LEU A 74 69.201 6.092 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.403 5.420 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.184 4.230 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.587 3.881 -2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.383 6.670 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.573 5.128 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 74 66.733 6.372 -0.016 1.00 0.00 H new ATOM 1071 N ALA A 75 68.077 3.088 3.471 1.00 0.00 N ATOM 1072 CA ALA A 75 67.561 2.078 4.435 1.00 0.00 C ATOM 1073 C ALA A 75 66.910 2.794 5.620 1.00 0.00 C ATOM 1074 O ALA A 75 65.823 2.455 6.043 1.00 0.00 O ATOM 1075 CB ALA A 75 68.792 1.291 4.888 1.00 0.00 C ATOM 0 H ALA A 75 69.087 3.080 3.331 1.00 0.00 H new ATOM 0 HA ALA A 75 66.808 1.423 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.491 0.525 5.603 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.260 0.818 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.503 1.968 5.360 1.00 0.00 H new ATOM 1081 N LYS A 76 67.564 3.794 6.148 1.00 0.00 N ATOM 1082 CA LYS A 76 66.977 4.544 7.293 1.00 0.00 C ATOM 1083 C LYS A 76 65.713 5.269 6.828 1.00 0.00 C ATOM 1084 O LYS A 76 64.834 5.576 7.609 1.00 0.00 O ATOM 1085 CB LYS A 76 68.055 5.547 7.709 1.00 0.00 C ATOM 1086 CG LYS A 76 69.132 4.832 8.526 1.00 0.00 C ATOM 1087 CD LYS A 76 70.345 5.752 8.688 1.00 0.00 C ATOM 1088 CE LYS A 76 70.941 5.572 10.088 1.00 0.00 C ATOM 1089 NZ LYS A 76 70.809 6.909 10.735 1.00 0.00 N ATOM 0 H LYS A 76 68.478 4.123 5.836 1.00 0.00 H new ATOM 0 HA LYS A 76 66.695 3.896 8.123 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.499 6.006 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.611 6.350 8.297 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.738 4.556 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.427 3.908 8.029 1.00 0.00 H new ATOM 0 HD2 LYS A 76 71.094 5.521 7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 76 70.050 6.790 8.538 1.00 0.00 H new ATOM 0 HE2 LYS A 76 70.406 4.806 10.650 1.00 0.00 H new ATOM 0 HE3 LYS A 76 71.984 5.259 10.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 71.196 6.868 11.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 71.334 7.616 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 69.805 7.177 10.776 1.00 0.00 H new ATOM 1103 N TRP A 77 65.617 5.536 5.554 1.00 0.00 N ATOM 1104 CA TRP A 77 64.412 6.232 5.021 1.00 0.00 C ATOM 1105 C TRP A 77 63.216 5.279 5.030 1.00 0.00 C ATOM 1106 O TRP A 77 62.134 5.628 5.457 1.00 0.00 O ATOM 1107 CB TRP A 77 64.786 6.620 3.592 1.00 0.00 C ATOM 1108 CG TRP A 77 63.605 7.233 2.911 1.00 0.00 C ATOM 1109 CD1 TRP A 77 62.928 8.321 3.345 1.00 0.00 C ATOM 1110 CD2 TRP A 77 62.955 6.810 1.682 1.00 0.00 C ATOM 1111 NE1 TRP A 77 61.903 8.593 2.453 1.00 0.00 N ATOM 1112 CE2 TRP A 77 61.879 7.688 1.412 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.194 5.759 0.784 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.069 7.528 0.288 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.382 5.592 -0.349 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.321 6.476 -0.597 1.00 0.00 C ATOM 0 H TRP A 77 66.324 5.301 4.857 1.00 0.00 H new ATOM 0 HA TRP A 77 64.130 7.101 5.616 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.618 7.324 3.602 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.119 5.740 3.041 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.150 8.885 4.239 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.247 9.367 2.554 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.009 5.073 0.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.254 8.212 0.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.575 4.779 -1.033 1.00 0.00 H new ATOM 0 HH2 TRP A 77 60.700 6.344 -1.471 1.00 0.00 H new ATOM 1127 N ILE A 78 63.405 4.072 4.569 1.00 0.00 N ATOM 1128 CA ILE A 78 62.278 3.097 4.563 1.00 0.00 C ATOM 1129 C ILE A 78 61.777 2.881 5.993 1.00 0.00 C ATOM 1130 O ILE A 78 60.593 2.933 6.263 1.00 0.00 O ATOM 1131 CB ILE A 78 62.873 1.804 4.002 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.110 1.949 2.495 1.00 0.00 C ATOM 1133 CG2 ILE A 78 61.907 0.646 4.251 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.612 1.935 2.211 1.00 0.00 C ATOM 0 H ILE A 78 64.288 3.720 4.198 1.00 0.00 H new ATOM 0 HA ILE A 78 61.430 3.441 3.970 1.00 0.00 H new ATOM 0 HB ILE A 78 63.822 1.604 4.499 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.620 1.136 1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 78 62.670 2.879 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 78 62.332 -0.275 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 78 61.742 0.534 5.323 1.00 0.00 H new ATOM 0 HG23 ILE A 78 60.957 0.852 3.757 1.00 0.00 H new ATOM 0 HD11 ILE A 78 64.781 2.038 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.089 2.763 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.039 0.993 2.556 1.00 0.00 H new ATOM 1146 N LEU A 79 62.673 2.644 6.911 1.00 0.00 N ATOM 1147 CA LEU A 79 62.253 2.432 8.326 1.00 0.00 C ATOM 1148 C LEU A 79 61.797 3.759 8.937 1.00 0.00 C ATOM 1149 O LEU A 79 61.049 3.789 9.894 1.00 0.00 O ATOM 1150 CB LEU A 79 63.505 1.915 9.037 1.00 0.00 C ATOM 1151 CG LEU A 79 63.621 0.403 8.834 1.00 0.00 C ATOM 1152 CD1 LEU A 79 64.931 0.082 8.114 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.603 -0.298 10.194 1.00 0.00 C ATOM 0 H LEU A 79 63.678 2.588 6.743 1.00 0.00 H new ATOM 0 HA LEU A 79 61.420 1.735 8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.391 2.414 8.645 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.454 2.147 10.101 1.00 0.00 H new ATOM 0 HG LEU A 79 62.781 0.054 8.233 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.012 -0.995 7.970 1.00 0.00 H new ATOM 0 HD12 LEU A 79 64.945 0.580 7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.771 0.432 8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.686 -1.375 10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 79 64.442 0.053 10.795 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.669 -0.072 10.708 1.00 0.00 H new ATOM 1165 N SER A 80 62.242 4.855 8.387 1.00 0.00 N ATOM 1166 CA SER A 80 61.836 6.181 8.932 1.00 0.00 C ATOM 1167 C SER A 80 60.492 6.608 8.335 1.00 0.00 C ATOM 1168 O SER A 80 59.835 7.496 8.840 1.00 0.00 O ATOM 1169 CB SER A 80 62.943 7.142 8.502 1.00 0.00 C ATOM 1170 OG SER A 80 64.071 6.968 9.350 1.00 0.00 O ATOM 0 H SER A 80 62.869 4.890 7.584 1.00 0.00 H new ATOM 0 HA SER A 80 61.711 6.162 10.015 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.221 6.954 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.588 8.171 8.556 1.00 0.00 H new ATOM 0 HG SER A 80 64.602 6.206 9.036 1.00 0.00 H new ATOM 1176 N GLN A 81 60.079 5.987 7.261 1.00 0.00 N ATOM 1177 CA GLN A 81 58.778 6.368 6.640 1.00 0.00 C ATOM 1178 C GLN A 81 57.702 6.521 7.717 1.00 0.00 C ATOM 1179 O GLN A 81 57.059 5.567 8.106 1.00 0.00 O ATOM 1180 CB GLN A 81 58.436 5.214 5.698 1.00 0.00 C ATOM 1181 CG GLN A 81 58.247 5.751 4.279 1.00 0.00 C ATOM 1182 CD GLN A 81 59.432 6.641 3.904 1.00 0.00 C ATOM 1183 OE1 GLN A 81 59.290 7.939 3.929 1.00 0.00 O flip ATOM 1184 NE2 GLN A 81 60.498 6.153 3.584 1.00 0.00 N flip ATOM 0 H GLN A 81 60.584 5.236 6.790 1.00 0.00 H new ATOM 0 HA GLN A 81 58.835 7.320 6.113 1.00 0.00 H new ATOM 0 HB2 GLN A 81 59.233 4.470 5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 81 57.527 4.715 6.033 1.00 0.00 H new ATOM 0 HG2 GLN A 81 58.164 4.923 3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 81 57.319 6.319 4.215 1.00 0.00 H new ATOM 0 HE21 GLN A 81 60.609 5.139 3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 81 61.281 6.757 3.335 1.00 0.00 H new ATOM 1193 N LYS A 82 57.501 7.717 8.201 1.00 0.00 N ATOM 1194 CA LYS A 82 56.466 7.932 9.251 1.00 0.00 C ATOM 1195 C LYS A 82 56.693 6.970 10.421 1.00 0.00 C ATOM 1196 O LYS A 82 55.843 6.921 11.296 1.00 0.00 O ATOM 1197 CB LYS A 82 55.137 7.633 8.559 1.00 0.00 C ATOM 1198 CG LYS A 82 53.982 8.135 9.426 1.00 0.00 C ATOM 1199 CD LYS A 82 53.766 9.628 9.174 1.00 0.00 C ATOM 1200 CE LYS A 82 53.076 9.825 7.822 1.00 0.00 C ATOM 1201 NZ LYS A 82 52.556 11.220 7.858 1.00 0.00 N ATOM 1202 OXT LYS A 82 57.713 6.301 10.423 1.00 0.00 O ATOM 0 H LYS A 82 58.009 8.554 7.914 1.00 0.00 H new ATOM 0 HA LYS A 82 56.494 8.941 9.662 1.00 0.00 H new ATOM 0 HB2 LYS A 82 55.108 8.115 7.582 1.00 0.00 H new ATOM 0 HB3 LYS A 82 55.038 6.561 8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 82 53.072 7.581 9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 82 54.202 7.961 10.479 1.00 0.00 H new ATOM 0 HD2 LYS A 82 53.158 10.057 9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 82 54.722 10.151 9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 82 53.775 9.685 6.997 1.00 0.00 H new ATOM 0 HE3 LYS A 82 52.269 9.106 7.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 52.068 11.432 6.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 51.888 11.321 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 53.348 11.882 7.986 1.00 0.00 H new TER 1216 LYS A 82 HETATM 1217 FE HEM A 83 63.514 -1.492 -3.878 1.00 0.00 FE HETATM 1218 CHA HEM A 83 62.963 -4.160 -1.920 1.00 0.00 C HETATM 1219 CHB HEM A 83 65.007 0.112 -1.263 1.00 0.00 C HETATM 1220 CHC HEM A 83 64.424 0.970 -5.949 1.00 0.00 C HETATM 1221 CHD HEM A 83 61.863 -3.037 -6.392 1.00 0.00 C HETATM 1222 NA HEM A 83 63.925 -1.937 -2.027 1.00 0.00 N HETATM 1223 C1A HEM A 83 63.739 -3.152 -1.427 1.00 0.00 C HETATM 1224 C2A HEM A 83 64.385 -3.229 -0.165 1.00 0.00 C HETATM 1225 C3A HEM A 83 64.818 -1.977 0.124 1.00 0.00 C HETATM 1226 C4A HEM A 83 64.554 -1.179 -1.061 1.00 0.00 C HETATM 1227 CMA HEM A 83 65.406 -1.489 1.437 1.00 0.00 C HETATM 1228 CAA HEM A 83 64.709 -4.563 0.491 1.00 0.00 C HETATM 1229 CBA HEM A 83 65.725 -5.356 -0.342 1.00 0.00 C HETATM 1230 CGA HEM A 83 66.941 -5.692 0.523 1.00 0.00 C HETATM 1231 O1A HEM A 83 67.347 -6.843 0.518 1.00 0.00 O HETATM 1232 O2A HEM A 83 67.447 -4.794 1.175 1.00 0.00 O HETATM 1233 NB HEM A 83 64.480 0.184 -3.647 1.00 0.00 N HETATM 1234 C1B HEM A 83 64.999 0.741 -2.493 1.00 0.00 C HETATM 1235 C2B HEM A 83 65.659 2.003 -2.775 1.00 0.00 C HETATM 1236 C3B HEM A 83 65.559 2.178 -4.112 1.00 0.00 C HETATM 1237 C4B HEM A 83 64.804 1.077 -4.629 1.00 0.00 C HETATM 1238 CMB HEM A 83 66.301 2.941 -1.765 1.00 0.00 C HETATM 1239 CAB HEM A 83 66.126 3.256 -5.029 1.00 0.00 C HETATM 1240 CBB HEM A 83 67.584 2.990 -5.405 1.00 0.00 C HETATM 1241 NC HEM A 83 63.230 -1.123 -5.764 1.00 0.00 N HETATM 1242 C1C HEM A 83 63.701 -0.062 -6.492 1.00 0.00 C HETATM 1243 C2C HEM A 83 63.292 -0.145 -7.877 1.00 0.00 C HETATM 1244 C3C HEM A 83 62.528 -1.253 -7.970 1.00 0.00 C HETATM 1245 C4C HEM A 83 62.518 -1.864 -6.672 1.00 0.00 C HETATM 1246 CMC HEM A 83 63.646 0.832 -8.987 1.00 0.00 C HETATM 1247 CAC HEM A 83 61.631 -1.713 -9.110 1.00 0.00 C HETATM 1248 CBC HEM A 83 62.390 -1.868 -10.428 1.00 0.00 C HETATM 1249 ND HEM A 83 62.540 -3.179 -4.079 1.00 0.00 N HETATM 1250 C1D HEM A 83 61.862 -3.658 -5.174 1.00 0.00 C HETATM 1251 C2D HEM A 83 61.228 -4.930 -4.893 1.00 0.00 C HETATM 1252 C3D HEM A 83 61.535 -5.225 -3.617 1.00 0.00 C HETATM 1253 C4D HEM A 83 62.367 -4.158 -3.142 1.00 0.00 C HETATM 1254 CMD HEM A 83 60.386 -5.775 -5.835 1.00 0.00 C HETATM 1255 CAD HEM A 83 61.069 -6.409 -2.781 1.00 0.00 C HETATM 1256 CBD HEM A 83 61.843 -7.688 -3.109 1.00 0.00 C HETATM 1257 CGD HEM A 83 63.341 -7.457 -2.900 1.00 0.00 C HETATM 1258 O1D HEM A 83 64.114 -7.930 -3.716 1.00 0.00 O HETATM 1259 O2D HEM A 83 63.688 -6.811 -1.927 1.00 0.00 O HETATM 0 HMA1 HEM A 83 66.075 -0.650 1.246 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 65.964 -2.298 1.909 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 64.602 -1.169 2.099 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 67.126 3.474 -2.237 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 66.678 2.364 -0.921 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 65.560 3.658 -1.412 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 63.778 1.829 -8.566 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 62.843 0.852 -9.724 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 64.572 0.516 -9.468 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 60.495 -6.828 -5.575 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 60.719 -5.618 -6.861 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 59.339 -5.486 -5.745 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 68.114 3.684 -6.057 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 68.093 2.106 -5.021 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 61.863 -2.193 -11.325 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 63.458 -1.654 -10.470 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 66.033 -4.774 -1.211 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 65.268 -6.272 -0.717 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 63.795 -5.146 0.607 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 65.108 -4.393 1.491 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 61.652 -7.985 -4.140 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 61.500 -8.504 -2.474 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 60.005 -6.576 -2.952 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 61.189 -6.175 -1.723 1.00 0.00 H new HETATM 0 HHA HEM A 83 62.811 -5.025 -1.292 1.00 0.00 H new HETATM 0 HHB HEM A 83 65.388 0.658 -0.413 1.00 0.00 H new HETATM 0 HHC HEM A 83 64.721 1.768 -6.614 1.00 0.00 H new HETATM 0 HHD HEM A 83 61.308 -3.504 -7.192 1.00 0.00 H new HETATM 0 HAB HEM A 83 65.557 4.118 -5.377 1.00 0.00 H new HETATM 0 HAC HEM A 83 60.565 -1.910 -8.999 1.00 0.00 H new