USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 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= -11.4! C(o=-12!,f=-23!) USER MOD Set 1.2: A 27 TYR OH : rot 172:sc= -0.819 USER MOD Single : A 1 GLU N :NH3+ 173:sc= 0.644 (180deg=0.615) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -7.55! C(o=-7.5!,f=-8.9!) USER MOD Single : A 10 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.303) USER MOD Single : A 13 MET CE :methyl 148:sc= -1.43 (180deg=-4.34!) USER MOD Single : A 20 THR OG1 : rot -133:sc= -2.41! USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= -1.06 (180deg=-2.14) USER MOD Single : A 22 MET CE :methyl -129:sc= -0.259 (180deg=-0.896) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.142) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0417 K(o=-0.042,f=-4.4!) USER MOD Single : A 43 TYR OH : rot 52:sc= 0.0408 USER MOD Single : A 46 GLN : amide:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0936 K(o=-0.094,f=-1.1!) USER MOD Single : A 52 SER OG : rot 90:sc= -0.84! USER MOD Single : A 53 GLN :FLIP amide:sc= -1.38 F(o=-3.4!,f=-1.4) USER MOD Single : A 61 MET CE :methyl 163:sc= -6.69! (180deg=-8.01!) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.75 F(o=-3.7!,f=-1.8) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0613 K(o=-0.061,f=-1.2) USER MOD Single : A 73 THR OG1 : rot 92:sc= 1.13 USER MOD Single : A 76 LYS NZ :NH3+ -152:sc= -0.105 (180deg=-1.57!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -6.29! C(o=-6.3!,f=-12!) USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= -0.191 (180deg=-1.62!) USER MOD Single : A 83 HEM CMA :methyl 150:sc= -10.3! (180deg=-10.3!) USER MOD Single : A 83 HEM CMB :methyl 150:sc= -10.2! (180deg=-10.2!) USER MOD Single : A 83 HEM CMC :methyl 150:sc= -0.155 (180deg=-0.155) USER MOD Single : A 83 HEM CMD :methyl -30:sc= -4.28! (180deg=-7.02!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 67.449 19.275 1.395 1.00 0.00 N ATOM 2 CA GLU A 1 67.737 18.022 0.637 1.00 0.00 C ATOM 3 C GLU A 1 67.479 16.797 1.520 1.00 0.00 C ATOM 4 O GLU A 1 68.398 16.157 1.991 1.00 0.00 O ATOM 5 CB GLU A 1 69.219 18.117 0.269 1.00 0.00 C ATOM 6 CG GLU A 1 69.361 18.270 -1.247 1.00 0.00 C ATOM 7 CD GLU A 1 68.609 19.520 -1.708 1.00 0.00 C ATOM 8 OE1 GLU A 1 68.515 20.453 -0.926 1.00 0.00 O ATOM 9 OE2 GLU A 1 68.142 19.525 -2.834 1.00 0.00 O ATOM 0 H1 GLU A 1 67.739 20.098 0.829 1.00 0.00 H new ATOM 0 H2 GLU A 1 66.430 19.334 1.594 1.00 0.00 H new ATOM 0 H3 GLU A 1 67.977 19.268 2.291 1.00 0.00 H new ATOM 0 HA GLU A 1 67.103 17.916 -0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 1 69.676 18.967 0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 1 69.746 17.224 0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 1 70.414 18.346 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 1 68.965 17.388 -1.751 1.00 0.00 H new ATOM 18 N ASP A 2 66.237 16.465 1.746 1.00 0.00 N ATOM 19 CA ASP A 2 65.925 15.280 2.596 1.00 0.00 C ATOM 20 C ASP A 2 66.196 13.986 1.820 1.00 0.00 C ATOM 21 O ASP A 2 66.378 14.015 0.619 1.00 0.00 O ATOM 22 CB ASP A 2 64.435 15.406 2.920 1.00 0.00 C ATOM 23 CG ASP A 2 64.264 15.877 4.364 1.00 0.00 C ATOM 24 OD1 ASP A 2 64.669 15.150 5.256 1.00 0.00 O ATOM 25 OD2 ASP A 2 63.729 16.958 4.554 1.00 0.00 O ATOM 0 H ASP A 2 65.425 16.962 1.379 1.00 0.00 H new ATOM 0 HA ASP A 2 66.538 15.246 3.497 1.00 0.00 H new ATOM 0 HB2 ASP A 2 63.962 16.113 2.238 1.00 0.00 H new ATOM 0 HB3 ASP A 2 63.939 14.446 2.779 1.00 0.00 H new ATOM 30 N PRO A 3 66.211 12.884 2.530 1.00 0.00 N ATOM 31 CA PRO A 3 66.458 11.570 1.893 1.00 0.00 C ATOM 32 C PRO A 3 65.369 11.264 0.862 1.00 0.00 C ATOM 33 O PRO A 3 65.535 10.423 0.001 1.00 0.00 O ATOM 34 CB PRO A 3 66.389 10.602 3.077 1.00 0.00 C ATOM 35 CG PRO A 3 66.102 11.408 4.359 1.00 0.00 C ATOM 36 CD PRO A 3 65.985 12.893 3.994 1.00 0.00 C ATOM 0 HA PRO A 3 67.402 11.514 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 3 65.607 9.861 2.914 1.00 0.00 H new ATOM 0 HB3 PRO A 3 67.328 10.058 3.175 1.00 0.00 H new ATOM 0 HG2 PRO A 3 65.180 11.060 4.825 1.00 0.00 H new ATOM 0 HG3 PRO A 3 66.902 11.260 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 3 65.006 13.298 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 3 66.727 13.498 4.515 1.00 0.00 H new ATOM 44 N GLU A 4 64.259 11.945 0.935 1.00 0.00 N ATOM 45 CA GLU A 4 63.173 11.693 -0.052 1.00 0.00 C ATOM 46 C GLU A 4 63.576 12.273 -1.409 1.00 0.00 C ATOM 47 O GLU A 4 63.236 11.746 -2.452 1.00 0.00 O ATOM 48 CB GLU A 4 61.949 12.420 0.506 1.00 0.00 C ATOM 49 CG GLU A 4 60.720 12.073 -0.338 1.00 0.00 C ATOM 50 CD GLU A 4 60.473 13.185 -1.358 1.00 0.00 C ATOM 51 OE1 GLU A 4 59.835 14.161 -0.999 1.00 0.00 O ATOM 52 OE2 GLU A 4 60.925 13.042 -2.483 1.00 0.00 O ATOM 0 H GLU A 4 64.058 12.662 1.632 1.00 0.00 H new ATOM 0 HA GLU A 4 62.974 10.631 -0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 4 61.784 12.132 1.544 1.00 0.00 H new ATOM 0 HB3 GLU A 4 62.117 13.497 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 4 60.873 11.123 -0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 4 59.847 11.953 0.303 1.00 0.00 H new ATOM 59 N VAL A 5 64.308 13.354 -1.400 1.00 0.00 N ATOM 60 CA VAL A 5 64.744 13.971 -2.684 1.00 0.00 C ATOM 61 C VAL A 5 65.716 13.042 -3.407 1.00 0.00 C ATOM 62 O VAL A 5 65.546 12.730 -4.569 1.00 0.00 O ATOM 63 CB VAL A 5 65.440 15.271 -2.285 1.00 0.00 C ATOM 64 CG1 VAL A 5 66.242 15.803 -3.476 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.390 16.305 -1.875 1.00 0.00 C ATOM 0 H VAL A 5 64.623 13.836 -0.558 1.00 0.00 H new ATOM 0 HA VAL A 5 63.909 14.150 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 5 66.112 15.084 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.740 16.731 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 5 66.989 15.066 -3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 5 65.569 15.992 -4.312 1.00 0.00 H new ATOM 0 HG21 VAL A 5 64.885 17.233 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.719 16.494 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.816 15.925 -1.029 1.00 0.00 H new ATOM 75 N LEU A 6 66.731 12.591 -2.728 1.00 0.00 N ATOM 76 CA LEU A 6 67.706 11.674 -3.381 1.00 0.00 C ATOM 77 C LEU A 6 67.016 10.350 -3.710 1.00 0.00 C ATOM 78 O LEU A 6 67.336 9.695 -4.680 1.00 0.00 O ATOM 79 CB LEU A 6 68.827 11.472 -2.356 1.00 0.00 C ATOM 80 CG LEU A 6 68.367 10.500 -1.268 1.00 0.00 C ATOM 81 CD1 LEU A 6 68.567 9.062 -1.752 1.00 0.00 C ATOM 82 CD2 LEU A 6 69.190 10.729 0.001 1.00 0.00 C ATOM 0 H LEU A 6 66.928 12.816 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 6 68.098 12.074 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 6 69.718 11.084 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 6 69.101 12.428 -1.910 1.00 0.00 H new ATOM 0 HG LEU A 6 67.312 10.668 -1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 6 68.240 8.369 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 6 67.982 8.898 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 6 69.622 8.894 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.863 10.037 0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 6 70.245 10.560 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.049 11.753 0.346 1.00 0.00 H new ATOM 94 N ALA A 7 66.059 9.960 -2.915 1.00 0.00 N ATOM 95 CA ALA A 7 65.338 8.687 -3.192 1.00 0.00 C ATOM 96 C ALA A 7 64.745 8.733 -4.600 1.00 0.00 C ATOM 97 O ALA A 7 64.876 7.804 -5.373 1.00 0.00 O ATOM 98 CB ALA A 7 64.227 8.623 -2.143 1.00 0.00 C ATOM 0 H ALA A 7 65.746 10.467 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 7 65.990 7.815 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 7 63.648 7.710 -2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 7 64.667 8.626 -1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 7 63.572 9.487 -2.253 1.00 0.00 H new ATOM 104 N LYS A 8 64.102 9.816 -4.942 1.00 0.00 N ATOM 105 CA LYS A 8 63.509 9.933 -6.305 1.00 0.00 C ATOM 106 C LYS A 8 64.626 10.023 -7.349 1.00 0.00 C ATOM 107 O LYS A 8 64.523 9.482 -8.432 1.00 0.00 O ATOM 108 CB LYS A 8 62.698 11.229 -6.268 1.00 0.00 C ATOM 109 CG LYS A 8 62.261 11.609 -7.684 1.00 0.00 C ATOM 110 CD LYS A 8 60.767 11.334 -7.845 1.00 0.00 C ATOM 111 CE LYS A 8 60.357 11.574 -9.300 1.00 0.00 C ATOM 112 NZ LYS A 8 59.194 10.671 -9.522 1.00 0.00 N ATOM 0 H LYS A 8 63.962 10.625 -4.337 1.00 0.00 H new ATOM 0 HA LYS A 8 62.891 9.076 -6.571 1.00 0.00 H new ATOM 0 HB2 LYS A 8 61.824 11.103 -5.629 1.00 0.00 H new ATOM 0 HB3 LYS A 8 63.296 12.031 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 8 62.470 12.662 -7.871 1.00 0.00 H new ATOM 0 HG3 LYS A 8 62.829 11.036 -8.418 1.00 0.00 H new ATOM 0 HD2 LYS A 8 60.543 10.307 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 8 60.194 11.983 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 8 60.086 12.616 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 8 61.173 11.343 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 58.854 10.777 -10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 59.484 9.685 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 58.431 10.919 -8.861 1.00 0.00 H new ATOM 126 N ASN A 9 65.690 10.704 -7.028 1.00 0.00 N ATOM 127 CA ASN A 9 66.815 10.832 -7.999 1.00 0.00 C ATOM 128 C ASN A 9 67.400 9.452 -8.317 1.00 0.00 C ATOM 129 O ASN A 9 68.008 9.249 -9.350 1.00 0.00 O ATOM 130 CB ASN A 9 67.850 11.712 -7.294 1.00 0.00 C ATOM 131 CG ASN A 9 67.149 12.913 -6.652 1.00 0.00 C ATOM 132 OD1 ASN A 9 67.690 13.542 -5.764 1.00 0.00 O ATOM 133 ND2 ASN A 9 65.960 13.259 -7.065 1.00 0.00 N ATOM 0 H ASN A 9 65.831 11.178 -6.136 1.00 0.00 H new ATOM 0 HA ASN A 9 66.496 11.264 -8.948 1.00 0.00 H new ATOM 0 HB2 ASN A 9 68.375 11.135 -6.533 1.00 0.00 H new ATOM 0 HB3 ASN A 9 68.599 12.054 -8.008 1.00 0.00 H new ATOM 0 HD21 ASN A 9 65.486 14.057 -6.642 1.00 0.00 H new ATOM 0 HD22 ASN A 9 65.505 12.731 -7.810 1.00 0.00 H new ATOM 140 N LYS A 10 67.216 8.499 -7.444 1.00 0.00 N ATOM 141 CA LYS A 10 67.756 7.137 -7.708 1.00 0.00 C ATOM 142 C LYS A 10 66.670 6.261 -8.329 1.00 0.00 C ATOM 143 O LYS A 10 66.950 5.311 -9.033 1.00 0.00 O ATOM 144 CB LYS A 10 68.165 6.597 -6.338 1.00 0.00 C ATOM 145 CG LYS A 10 69.178 7.548 -5.698 1.00 0.00 C ATOM 146 CD LYS A 10 70.458 7.564 -6.534 1.00 0.00 C ATOM 147 CE LYS A 10 71.473 8.516 -5.896 1.00 0.00 C ATOM 148 NZ LYS A 10 71.010 9.885 -6.265 1.00 0.00 N ATOM 0 H LYS A 10 66.716 8.605 -6.561 1.00 0.00 H new ATOM 0 HA LYS A 10 68.596 7.150 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 10 67.288 6.497 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 10 68.599 5.602 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 10 68.760 8.553 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 10 69.400 7.229 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 10 70.876 6.559 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 10 70.236 7.882 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 10 71.505 8.390 -4.814 1.00 0.00 H new ATOM 0 HE3 LYS A 10 72.479 8.327 -6.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 71.731 10.348 -6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 70.119 9.818 -6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 70.857 10.444 -5.402 1.00 0.00 H new ATOM 162 N GLY A 11 65.430 6.577 -8.079 1.00 0.00 N ATOM 163 CA GLY A 11 64.324 5.768 -8.657 1.00 0.00 C ATOM 164 C GLY A 11 63.730 4.860 -7.581 1.00 0.00 C ATOM 165 O GLY A 11 62.981 3.948 -7.872 1.00 0.00 O ATOM 0 H GLY A 11 65.136 7.362 -7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 11 63.552 6.425 -9.058 1.00 0.00 H new ATOM 0 HA3 GLY A 11 64.696 5.168 -9.488 1.00 0.00 H new ATOM 169 N CYS A 12 64.054 5.096 -6.338 1.00 0.00 N ATOM 170 CA CYS A 12 63.498 4.235 -5.254 1.00 0.00 C ATOM 171 C CYS A 12 61.977 4.399 -5.174 1.00 0.00 C ATOM 172 O CYS A 12 61.252 3.450 -4.963 1.00 0.00 O ATOM 173 CB CYS A 12 64.149 4.731 -3.962 1.00 0.00 C ATOM 174 SG CYS A 12 65.942 4.876 -4.179 1.00 0.00 S ATOM 0 H CYS A 12 64.676 5.843 -6.027 1.00 0.00 H new ATOM 0 HA CYS A 12 63.702 3.179 -5.432 1.00 0.00 H new ATOM 0 HB2 CYS A 12 63.730 5.698 -3.683 1.00 0.00 H new ATOM 0 HB3 CYS A 12 63.929 4.041 -3.147 1.00 0.00 H new ATOM 179 N MET A 13 61.490 5.599 -5.331 1.00 0.00 N ATOM 180 CA MET A 13 60.018 5.827 -5.252 1.00 0.00 C ATOM 181 C MET A 13 59.318 5.313 -6.514 1.00 0.00 C ATOM 182 O MET A 13 58.119 5.445 -6.663 1.00 0.00 O ATOM 183 CB MET A 13 59.864 7.343 -5.135 1.00 0.00 C ATOM 184 CG MET A 13 60.860 7.883 -4.107 1.00 0.00 C ATOM 185 SD MET A 13 59.962 8.717 -2.776 1.00 0.00 S ATOM 186 CE MET A 13 58.821 7.367 -2.393 1.00 0.00 C ATOM 0 H MET A 13 62.048 6.433 -5.511 1.00 0.00 H new ATOM 0 HA MET A 13 59.568 5.298 -4.412 1.00 0.00 H new ATOM 0 HB2 MET A 13 60.036 7.812 -6.104 1.00 0.00 H new ATOM 0 HB3 MET A 13 58.846 7.593 -4.836 1.00 0.00 H new ATOM 0 HG2 MET A 13 61.458 7.067 -3.701 1.00 0.00 H new ATOM 0 HG3 MET A 13 61.551 8.578 -4.585 1.00 0.00 H new ATOM 0 HE1 MET A 13 58.580 7.385 -1.330 1.00 0.00 H new ATOM 0 HE2 MET A 13 57.907 7.487 -2.975 1.00 0.00 H new ATOM 0 HE3 MET A 13 59.288 6.414 -2.643 1.00 0.00 H new ATOM 196 N ALA A 14 60.048 4.727 -7.421 1.00 0.00 N ATOM 197 CA ALA A 14 59.414 4.207 -8.665 1.00 0.00 C ATOM 198 C ALA A 14 58.712 2.880 -8.380 1.00 0.00 C ATOM 199 O ALA A 14 57.573 2.672 -8.751 1.00 0.00 O ATOM 200 CB ALA A 14 60.569 4.006 -9.646 1.00 0.00 C ATOM 0 H ALA A 14 61.056 4.585 -7.355 1.00 0.00 H new ATOM 0 HA ALA A 14 58.660 4.887 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 14 60.182 3.623 -10.590 1.00 0.00 H new ATOM 0 HB2 ALA A 14 61.070 4.959 -9.819 1.00 0.00 H new ATOM 0 HB3 ALA A 14 61.280 3.293 -9.230 1.00 0.00 H new ATOM 206 N CYS A 15 59.387 1.981 -7.724 1.00 0.00 N ATOM 207 CA CYS A 15 58.775 0.661 -7.405 1.00 0.00 C ATOM 208 C CYS A 15 58.284 0.636 -5.960 1.00 0.00 C ATOM 209 O CYS A 15 57.391 -0.110 -5.609 1.00 0.00 O ATOM 210 CB CYS A 15 59.915 -0.345 -7.547 1.00 0.00 C ATOM 211 SG CYS A 15 60.470 -0.451 -9.266 1.00 0.00 S ATOM 0 H CYS A 15 60.344 2.104 -7.392 1.00 0.00 H new ATOM 0 HA CYS A 15 57.926 0.447 -8.054 1.00 0.00 H new ATOM 0 HB2 CYS A 15 60.748 -0.050 -6.909 1.00 0.00 H new ATOM 0 HB3 CYS A 15 59.585 -1.326 -7.206 1.00 0.00 H new ATOM 216 N HIS A 16 58.889 1.415 -5.111 1.00 0.00 N ATOM 217 CA HIS A 16 58.487 1.396 -3.677 1.00 0.00 C ATOM 218 C HIS A 16 57.518 2.523 -3.331 1.00 0.00 C ATOM 219 O HIS A 16 57.312 3.454 -4.084 1.00 0.00 O ATOM 220 CB HIS A 16 59.793 1.587 -2.909 1.00 0.00 C ATOM 221 CG HIS A 16 60.407 0.252 -2.608 1.00 0.00 C ATOM 222 ND1 HIS A 16 59.720 -0.738 -1.922 1.00 0.00 N ATOM 223 CD2 HIS A 16 61.644 -0.270 -2.884 1.00 0.00 C ATOM 224 CE1 HIS A 16 60.543 -1.795 -1.807 1.00 0.00 C ATOM 225 NE2 HIS A 16 61.727 -1.563 -2.377 1.00 0.00 N ATOM 0 H HIS A 16 59.642 2.062 -5.345 1.00 0.00 H new ATOM 0 HA HIS A 16 57.969 0.469 -3.430 1.00 0.00 H new ATOM 0 HB2 HIS A 16 60.485 2.192 -3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 16 59.604 2.128 -1.982 1.00 0.00 H new ATOM 0 HD1 HIS A 16 58.765 -0.676 -1.569 1.00 0.00 H new ATOM 0 HD2 HIS A 16 62.433 0.243 -3.414 1.00 0.00 H new ATOM 0 HE1 HIS A 16 60.278 -2.719 -1.314 1.00 0.00 H new ATOM 233 N ALA A 17 56.941 2.432 -2.165 1.00 0.00 N ATOM 234 CA ALA A 17 55.991 3.472 -1.688 1.00 0.00 C ATOM 235 C ALA A 17 56.046 3.503 -0.160 1.00 0.00 C ATOM 236 O ALA A 17 56.934 2.934 0.438 1.00 0.00 O ATOM 237 CB ALA A 17 54.614 3.021 -2.176 1.00 0.00 C ATOM 0 H ALA A 17 57.092 1.664 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 17 56.223 4.471 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 17 53.861 3.743 -1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 17 54.618 2.954 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 17 54.380 2.044 -1.753 1.00 0.00 H new ATOM 243 N ILE A 18 55.119 4.147 0.482 1.00 0.00 N ATOM 244 CA ILE A 18 55.158 4.182 1.973 1.00 0.00 C ATOM 245 C ILE A 18 54.366 3.005 2.549 1.00 0.00 C ATOM 246 O ILE A 18 54.930 2.036 3.013 1.00 0.00 O ATOM 247 CB ILE A 18 54.518 5.517 2.354 1.00 0.00 C ATOM 248 CG1 ILE A 18 55.262 6.655 1.651 1.00 0.00 C ATOM 249 CG2 ILE A 18 54.602 5.712 3.869 1.00 0.00 C ATOM 250 CD1 ILE A 18 56.671 6.787 2.235 1.00 0.00 C ATOM 0 H ILE A 18 54.342 4.647 0.049 1.00 0.00 H new ATOM 0 HA ILE A 18 56.171 4.097 2.367 1.00 0.00 H new ATOM 0 HB ILE A 18 53.472 5.520 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 18 55.318 6.459 0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 18 54.717 7.591 1.776 1.00 0.00 H new ATOM 0 HG21 ILE A 18 54.145 6.664 4.139 1.00 0.00 H new ATOM 0 HG22 ILE A 18 54.074 4.901 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 18 55.647 5.710 4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 18 57.199 7.598 1.733 1.00 0.00 H new ATOM 0 HD12 ILE A 18 56.604 7.003 3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 18 57.215 5.854 2.087 1.00 0.00 H new ATOM 262 N ASP A 19 53.064 3.079 2.523 1.00 0.00 N ATOM 263 CA ASP A 19 52.249 1.958 3.076 1.00 0.00 C ATOM 264 C ASP A 19 51.436 1.286 1.964 1.00 0.00 C ATOM 265 O ASP A 19 50.724 0.330 2.198 1.00 0.00 O ATOM 266 CB ASP A 19 51.324 2.612 4.101 1.00 0.00 C ATOM 267 CG ASP A 19 51.250 1.735 5.351 1.00 0.00 C ATOM 268 OD1 ASP A 19 52.218 1.043 5.622 1.00 0.00 O ATOM 269 OD2 ASP A 19 50.228 1.768 6.016 1.00 0.00 O ATOM 0 H ASP A 19 52.530 3.862 2.145 1.00 0.00 H new ATOM 0 HA ASP A 19 52.868 1.180 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 19 51.694 3.604 4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 19 50.329 2.744 3.677 1.00 0.00 H new ATOM 274 N THR A 20 51.536 1.775 0.757 1.00 0.00 N ATOM 275 CA THR A 20 50.767 1.157 -0.362 1.00 0.00 C ATOM 276 C THR A 20 51.502 -0.083 -0.882 1.00 0.00 C ATOM 277 O THR A 20 52.441 -0.558 -0.276 1.00 0.00 O ATOM 278 CB THR A 20 50.700 2.233 -1.446 1.00 0.00 C ATOM 279 OG1 THR A 20 51.959 2.883 -1.547 1.00 0.00 O ATOM 280 CG2 THR A 20 49.622 3.256 -1.086 1.00 0.00 C ATOM 0 H THR A 20 52.115 2.574 0.498 1.00 0.00 H new ATOM 0 HA THR A 20 49.774 0.834 -0.051 1.00 0.00 H new ATOM 0 HB THR A 20 50.454 1.770 -2.402 1.00 0.00 H new ATOM 0 HG1 THR A 20 51.825 3.854 -1.569 1.00 0.00 H new ATOM 0 HG21 THR A 20 49.575 4.023 -1.859 1.00 0.00 H new ATOM 0 HG22 THR A 20 48.656 2.756 -1.012 1.00 0.00 H new ATOM 0 HG23 THR A 20 49.865 3.720 -0.130 1.00 0.00 H new ATOM 288 N LYS A 21 51.083 -0.610 -2.000 1.00 0.00 N ATOM 289 CA LYS A 21 51.762 -1.814 -2.553 1.00 0.00 C ATOM 290 C LYS A 21 51.967 -1.665 -4.063 1.00 0.00 C ATOM 291 O LYS A 21 51.033 -1.720 -4.837 1.00 0.00 O ATOM 292 CB LYS A 21 50.817 -2.979 -2.250 1.00 0.00 C ATOM 293 CG LYS A 21 51.483 -3.931 -1.254 1.00 0.00 C ATOM 294 CD LYS A 21 51.974 -5.180 -1.989 1.00 0.00 C ATOM 295 CE LYS A 21 50.875 -6.245 -1.975 1.00 0.00 C ATOM 296 NZ LYS A 21 49.910 -5.814 -3.024 1.00 0.00 N ATOM 0 H LYS A 21 50.301 -0.259 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 21 52.749 -1.966 -2.115 1.00 0.00 H new ATOM 0 HB2 LYS A 21 49.880 -2.603 -1.839 1.00 0.00 H new ATOM 0 HB3 LYS A 21 50.572 -3.511 -3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 21 52.319 -3.433 -0.763 1.00 0.00 H new ATOM 0 HG3 LYS A 21 50.775 -4.210 -0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 21 52.240 -4.930 -3.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 52.875 -5.565 -1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 21 51.280 -7.233 -2.193 1.00 0.00 H new ATOM 0 HE3 LYS A 21 50.396 -6.305 -0.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 49.340 -6.629 -3.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 49.284 -5.078 -2.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 50.431 -5.433 -3.839 1.00 0.00 H new ATOM 310 N MET A 22 53.186 -1.475 -4.487 1.00 0.00 N ATOM 311 CA MET A 22 53.457 -1.322 -5.945 1.00 0.00 C ATOM 312 C MET A 22 54.368 -2.460 -6.434 1.00 0.00 C ATOM 313 O MET A 22 54.018 -3.619 -6.341 1.00 0.00 O ATOM 314 CB MET A 22 54.145 0.039 -6.069 1.00 0.00 C ATOM 315 CG MET A 22 53.112 1.148 -5.868 1.00 0.00 C ATOM 316 SD MET A 22 53.455 2.505 -7.015 1.00 0.00 S ATOM 317 CE MET A 22 55.053 2.993 -6.319 1.00 0.00 C ATOM 0 H MET A 22 54.008 -1.419 -3.886 1.00 0.00 H new ATOM 0 HA MET A 22 52.554 -1.371 -6.553 1.00 0.00 H new ATOM 0 HB2 MET A 22 54.939 0.127 -5.327 1.00 0.00 H new ATOM 0 HB3 MET A 22 54.612 0.135 -7.049 1.00 0.00 H new ATOM 0 HG2 MET A 22 52.108 0.759 -6.037 1.00 0.00 H new ATOM 0 HG3 MET A 22 53.145 1.509 -4.840 1.00 0.00 H new ATOM 0 HE1 MET A 22 55.056 4.067 -6.132 1.00 0.00 H new ATOM 0 HE2 MET A 22 55.220 2.461 -5.382 1.00 0.00 H new ATOM 0 HE3 MET A 22 55.847 2.745 -7.023 1.00 0.00 H new ATOM 327 N VAL A 23 55.532 -2.149 -6.949 1.00 0.00 N ATOM 328 CA VAL A 23 56.442 -3.227 -7.431 1.00 0.00 C ATOM 329 C VAL A 23 57.138 -3.889 -6.240 1.00 0.00 C ATOM 330 O VAL A 23 57.380 -5.079 -6.229 1.00 0.00 O ATOM 331 CB VAL A 23 57.457 -2.514 -8.326 1.00 0.00 C ATOM 332 CG1 VAL A 23 58.624 -3.455 -8.628 1.00 0.00 C ATOM 333 CG2 VAL A 23 56.778 -2.107 -9.636 1.00 0.00 C ATOM 0 H VAL A 23 55.888 -1.199 -7.055 1.00 0.00 H new ATOM 0 HA VAL A 23 55.913 -4.014 -7.969 1.00 0.00 H new ATOM 0 HB VAL A 23 57.832 -1.626 -7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 23 59.346 -2.946 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 23 59.106 -3.748 -7.695 1.00 0.00 H new ATOM 0 HG13 VAL A 23 58.252 -4.343 -9.138 1.00 0.00 H new ATOM 0 HG21 VAL A 23 57.499 -1.598 -10.277 1.00 0.00 H new ATOM 0 HG22 VAL A 23 56.405 -2.996 -10.144 1.00 0.00 H new ATOM 0 HG23 VAL A 23 55.946 -1.436 -9.422 1.00 0.00 H new ATOM 343 N GLY A 24 57.451 -3.121 -5.235 1.00 0.00 N ATOM 344 CA GLY A 24 58.121 -3.691 -4.035 1.00 0.00 C ATOM 345 C GLY A 24 57.191 -3.543 -2.825 1.00 0.00 C ATOM 346 O GLY A 24 56.193 -2.854 -2.899 1.00 0.00 O ATOM 0 H GLY A 24 57.270 -2.118 -5.193 1.00 0.00 H new ATOM 0 HA2 GLY A 24 58.359 -4.742 -4.200 1.00 0.00 H new ATOM 0 HA3 GLY A 24 59.064 -3.176 -3.850 1.00 0.00 H new ATOM 350 N PRO A 25 57.544 -4.196 -1.749 1.00 0.00 N ATOM 351 CA PRO A 25 56.723 -4.136 -0.516 1.00 0.00 C ATOM 352 C PRO A 25 56.708 -2.716 0.051 1.00 0.00 C ATOM 353 O PRO A 25 57.714 -2.035 0.065 1.00 0.00 O ATOM 354 CB PRO A 25 57.456 -5.096 0.423 1.00 0.00 C ATOM 355 CG PRO A 25 58.677 -5.675 -0.316 1.00 0.00 C ATOM 356 CD PRO A 25 58.770 -5.025 -1.701 1.00 0.00 C ATOM 0 HA PRO A 25 55.678 -4.402 -0.672 1.00 0.00 H new ATOM 0 HB2 PRO A 25 57.774 -4.573 1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 25 56.789 -5.899 0.738 1.00 0.00 H new ATOM 0 HG2 PRO A 25 59.587 -5.484 0.252 1.00 0.00 H new ATOM 0 HG3 PRO A 25 58.582 -6.757 -0.412 1.00 0.00 H new ATOM 0 HD2 PRO A 25 59.672 -4.422 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 25 58.789 -5.769 -2.498 1.00 0.00 H new ATOM 364 N ALA A 26 55.577 -2.268 0.524 1.00 0.00 N ATOM 365 CA ALA A 26 55.506 -0.894 1.094 1.00 0.00 C ATOM 366 C ALA A 26 56.731 -0.635 1.973 1.00 0.00 C ATOM 367 O ALA A 26 57.329 -1.551 2.503 1.00 0.00 O ATOM 368 CB ALA A 26 54.224 -0.874 1.928 1.00 0.00 C ATOM 0 H ALA A 26 54.702 -2.792 0.540 1.00 0.00 H new ATOM 0 HA ALA A 26 55.495 -0.122 0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 26 54.101 0.109 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 26 53.369 -1.087 1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 26 54.287 -1.630 2.711 1.00 0.00 H new ATOM 374 N TYR A 27 57.113 0.600 2.130 1.00 0.00 N ATOM 375 CA TYR A 27 58.303 0.908 2.972 1.00 0.00 C ATOM 376 C TYR A 27 57.980 0.657 4.447 1.00 0.00 C ATOM 377 O TYR A 27 58.623 -0.136 5.110 1.00 0.00 O ATOM 378 CB TYR A 27 58.596 2.389 2.715 1.00 0.00 C ATOM 379 CG TYR A 27 59.558 2.533 1.554 1.00 0.00 C ATOM 380 CD1 TYR A 27 60.620 1.630 1.392 1.00 0.00 C ATOM 381 CD2 TYR A 27 59.387 3.577 0.634 1.00 0.00 C ATOM 382 CE1 TYR A 27 61.502 1.773 0.314 1.00 0.00 C ATOM 383 CE2 TYR A 27 60.271 3.718 -0.441 1.00 0.00 C ATOM 384 CZ TYR A 27 61.328 2.815 -0.601 1.00 0.00 C ATOM 385 OH TYR A 27 62.197 2.953 -1.663 1.00 0.00 O ATOM 0 H TYR A 27 56.654 1.410 1.713 1.00 0.00 H new ATOM 0 HA TYR A 27 59.162 0.282 2.730 1.00 0.00 H new ATOM 0 HB2 TYR A 27 57.669 2.919 2.498 1.00 0.00 H new ATOM 0 HB3 TYR A 27 59.022 2.845 3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 27 60.757 0.825 2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 27 58.571 4.274 0.755 1.00 0.00 H new ATOM 0 HE1 TYR A 27 62.318 1.077 0.189 1.00 0.00 H new ATOM 0 HE2 TYR A 27 60.138 4.524 -1.148 1.00 0.00 H new ATOM 0 HH TYR A 27 61.863 3.645 -2.272 1.00 0.00 H new ATOM 395 N LYS A 28 56.981 1.315 4.963 1.00 0.00 N ATOM 396 CA LYS A 28 56.611 1.100 6.389 1.00 0.00 C ATOM 397 C LYS A 28 56.531 -0.398 6.673 1.00 0.00 C ATOM 398 O LYS A 28 57.068 -0.889 7.646 1.00 0.00 O ATOM 399 CB LYS A 28 55.240 1.756 6.543 1.00 0.00 C ATOM 400 CG LYS A 28 55.058 2.227 7.987 1.00 0.00 C ATOM 401 CD LYS A 28 53.996 1.367 8.675 1.00 0.00 C ATOM 402 CE LYS A 28 52.819 2.250 9.101 1.00 0.00 C ATOM 403 NZ LYS A 28 52.910 2.321 10.585 1.00 0.00 N ATOM 0 H LYS A 28 56.406 1.991 4.461 1.00 0.00 H new ATOM 0 HA LYS A 28 57.337 1.522 7.084 1.00 0.00 H new ATOM 0 HB2 LYS A 28 55.151 2.601 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 28 54.455 1.048 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 28 56.003 2.156 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 28 54.759 3.275 8.004 1.00 0.00 H new ATOM 0 HD2 LYS A 28 53.651 0.585 7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 28 54.424 0.869 9.545 1.00 0.00 H new ATOM 0 HE2 LYS A 28 52.887 3.241 8.653 1.00 0.00 H new ATOM 0 HE3 LYS A 28 51.868 1.821 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 52.136 2.910 10.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 52.836 1.363 10.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 53.822 2.739 10.857 1.00 0.00 H new ATOM 417 N ASP A 29 55.869 -1.128 5.823 1.00 0.00 N ATOM 418 CA ASP A 29 55.757 -2.600 6.032 1.00 0.00 C ATOM 419 C ASP A 29 57.149 -3.205 6.243 1.00 0.00 C ATOM 420 O ASP A 29 57.364 -4.004 7.134 1.00 0.00 O ATOM 421 CB ASP A 29 55.129 -3.136 4.746 1.00 0.00 C ATOM 422 CG ASP A 29 53.607 -3.025 4.836 1.00 0.00 C ATOM 423 OD1 ASP A 29 53.089 -3.109 5.938 1.00 0.00 O ATOM 424 OD2 ASP A 29 52.983 -2.855 3.800 1.00 0.00 O ATOM 0 H ASP A 29 55.399 -0.771 4.991 1.00 0.00 H new ATOM 0 HA ASP A 29 55.162 -2.851 6.910 1.00 0.00 H new ATOM 0 HB2 ASP A 29 55.495 -2.572 3.888 1.00 0.00 H new ATOM 0 HB3 ASP A 29 55.420 -4.175 4.593 1.00 0.00 H new ATOM 429 N VAL A 30 58.098 -2.826 5.428 1.00 0.00 N ATOM 430 CA VAL A 30 59.475 -3.375 5.581 1.00 0.00 C ATOM 431 C VAL A 30 59.986 -3.126 7.001 1.00 0.00 C ATOM 432 O VAL A 30 60.658 -3.953 7.584 1.00 0.00 O ATOM 433 CB VAL A 30 60.322 -2.613 4.560 1.00 0.00 C ATOM 434 CG1 VAL A 30 61.791 -3.006 4.725 1.00 0.00 C ATOM 435 CG2 VAL A 30 59.857 -2.966 3.145 1.00 0.00 C ATOM 0 H VAL A 30 57.978 -2.161 4.664 1.00 0.00 H new ATOM 0 HA VAL A 30 59.513 -4.452 5.415 1.00 0.00 H new ATOM 0 HB VAL A 30 60.210 -1.541 4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 30 62.396 -2.464 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 30 62.123 -2.756 5.733 1.00 0.00 H new ATOM 0 HG13 VAL A 30 61.901 -4.078 4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 30 60.461 -2.423 2.418 1.00 0.00 H new ATOM 0 HG22 VAL A 30 59.969 -4.038 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 30 58.810 -2.689 3.026 1.00 0.00 H new ATOM 445 N ALA A 31 59.672 -1.993 7.559 1.00 0.00 N ATOM 446 CA ALA A 31 60.139 -1.690 8.943 1.00 0.00 C ATOM 447 C ALA A 31 59.302 -2.459 9.970 1.00 0.00 C ATOM 448 O ALA A 31 59.747 -2.734 11.067 1.00 0.00 O ATOM 449 CB ALA A 31 59.937 -0.185 9.112 1.00 0.00 C ATOM 0 H ALA A 31 59.113 -1.262 7.119 1.00 0.00 H new ATOM 0 HA ALA A 31 61.178 -1.983 9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.259 0.116 10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 31 60.526 0.347 8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 31 58.882 0.057 8.983 1.00 0.00 H new ATOM 455 N ALA A 32 58.090 -2.803 9.625 1.00 0.00 N ATOM 456 CA ALA A 32 57.226 -3.548 10.587 1.00 0.00 C ATOM 457 C ALA A 32 57.724 -4.987 10.757 1.00 0.00 C ATOM 458 O ALA A 32 57.565 -5.587 11.802 1.00 0.00 O ATOM 459 CB ALA A 32 55.832 -3.534 9.962 1.00 0.00 C ATOM 0 H ALA A 32 57.662 -2.601 8.722 1.00 0.00 H new ATOM 0 HA ALA A 32 57.235 -3.095 11.578 1.00 0.00 H new ATOM 0 HB1 ALA A 32 55.136 -4.064 10.612 1.00 0.00 H new ATOM 0 HB2 ALA A 32 55.499 -2.503 9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 32 55.865 -4.024 8.989 1.00 0.00 H new ATOM 465 N LYS A 33 58.325 -5.545 9.744 1.00 0.00 N ATOM 466 CA LYS A 33 58.830 -6.943 9.854 1.00 0.00 C ATOM 467 C LYS A 33 60.226 -6.945 10.476 1.00 0.00 C ATOM 468 O LYS A 33 60.541 -7.761 11.321 1.00 0.00 O ATOM 469 CB LYS A 33 58.878 -7.469 8.420 1.00 0.00 C ATOM 470 CG LYS A 33 59.127 -8.979 8.438 1.00 0.00 C ATOM 471 CD LYS A 33 57.802 -9.719 8.243 1.00 0.00 C ATOM 472 CE LYS A 33 57.949 -10.747 7.119 1.00 0.00 C ATOM 473 NZ LYS A 33 58.818 -11.816 7.685 1.00 0.00 N ATOM 0 H LYS A 33 58.489 -5.094 8.844 1.00 0.00 H new ATOM 0 HA LYS A 33 58.196 -7.563 10.487 1.00 0.00 H new ATOM 0 HB2 LYS A 33 57.940 -7.250 7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 33 59.669 -6.966 7.863 1.00 0.00 H new ATOM 0 HG2 LYS A 33 59.827 -9.252 7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 33 59.583 -9.272 9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 33 57.512 -10.216 9.169 1.00 0.00 H new ATOM 0 HD3 LYS A 33 57.010 -9.010 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 33 56.980 -11.144 6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 33 58.399 -10.301 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 58.801 -12.646 7.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 59.793 -11.464 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 58.468 -12.086 8.626 1.00 0.00 H new ATOM 487 N TYR A 34 61.064 -6.031 10.072 1.00 0.00 N ATOM 488 CA TYR A 34 62.436 -5.973 10.646 1.00 0.00 C ATOM 489 C TYR A 34 62.445 -5.053 11.869 1.00 0.00 C ATOM 490 O TYR A 34 63.482 -4.751 12.425 1.00 0.00 O ATOM 491 CB TYR A 34 63.310 -5.400 9.531 1.00 0.00 C ATOM 492 CG TYR A 34 63.720 -6.513 8.595 1.00 0.00 C ATOM 493 CD1 TYR A 34 62.743 -7.301 7.975 1.00 0.00 C ATOM 494 CD2 TYR A 34 65.077 -6.758 8.349 1.00 0.00 C ATOM 495 CE1 TYR A 34 63.123 -8.334 7.109 1.00 0.00 C ATOM 496 CE2 TYR A 34 65.456 -7.792 7.484 1.00 0.00 C ATOM 497 CZ TYR A 34 64.479 -8.579 6.865 1.00 0.00 C ATOM 498 OH TYR A 34 64.852 -9.597 6.012 1.00 0.00 O ATOM 0 H TYR A 34 60.857 -5.322 9.369 1.00 0.00 H new ATOM 0 HA TYR A 34 62.794 -6.948 10.975 1.00 0.00 H new ATOM 0 HB2 TYR A 34 62.764 -4.632 8.984 1.00 0.00 H new ATOM 0 HB3 TYR A 34 64.193 -4.922 9.955 1.00 0.00 H new ATOM 0 HD1 TYR A 34 61.697 -7.112 8.164 1.00 0.00 H new ATOM 0 HD2 TYR A 34 65.831 -6.150 8.826 1.00 0.00 H new ATOM 0 HE1 TYR A 34 62.370 -8.941 6.630 1.00 0.00 H new ATOM 0 HE2 TYR A 34 66.502 -7.982 7.295 1.00 0.00 H new ATOM 0 HH TYR A 34 65.830 -9.632 5.952 1.00 0.00 H new ATOM 508 N ALA A 35 61.293 -4.605 12.289 1.00 0.00 N ATOM 509 CA ALA A 35 61.229 -3.705 13.476 1.00 0.00 C ATOM 510 C ALA A 35 61.783 -4.415 14.714 1.00 0.00 C ATOM 511 O ALA A 35 61.262 -5.423 15.151 1.00 0.00 O ATOM 512 CB ALA A 35 59.743 -3.400 13.657 1.00 0.00 C ATOM 0 H ALA A 35 60.393 -4.823 11.861 1.00 0.00 H new ATOM 0 HA ALA A 35 61.821 -2.800 13.339 1.00 0.00 H new ATOM 0 HB1 ALA A 35 59.609 -2.740 14.514 1.00 0.00 H new ATOM 0 HB2 ALA A 35 59.360 -2.913 12.760 1.00 0.00 H new ATOM 0 HB3 ALA A 35 59.199 -4.329 13.826 1.00 0.00 H new ATOM 518 N GLY A 36 62.835 -3.896 15.287 1.00 0.00 N ATOM 519 CA GLY A 36 63.418 -4.538 16.499 1.00 0.00 C ATOM 520 C GLY A 36 64.795 -5.116 16.165 1.00 0.00 C ATOM 521 O GLY A 36 65.522 -5.558 17.033 1.00 0.00 O ATOM 0 H GLY A 36 63.316 -3.055 14.968 1.00 0.00 H new ATOM 0 HA2 GLY A 36 63.505 -3.807 17.303 1.00 0.00 H new ATOM 0 HA3 GLY A 36 62.758 -5.328 16.857 1.00 0.00 H new ATOM 525 N GLN A 37 65.160 -5.117 14.912 1.00 0.00 N ATOM 526 CA GLN A 37 66.490 -5.669 14.521 1.00 0.00 C ATOM 527 C GLN A 37 67.611 -4.798 15.096 1.00 0.00 C ATOM 528 O GLN A 37 67.472 -3.599 15.233 1.00 0.00 O ATOM 529 CB GLN A 37 66.501 -5.622 12.993 1.00 0.00 C ATOM 530 CG GLN A 37 66.016 -6.963 12.440 1.00 0.00 C ATOM 531 CD GLN A 37 67.074 -7.540 11.496 1.00 0.00 C ATOM 532 OE1 GLN A 37 67.584 -6.845 10.640 1.00 0.00 O ATOM 533 NE2 GLN A 37 67.427 -8.790 11.619 1.00 0.00 N ATOM 0 H GLN A 37 64.595 -4.760 14.141 1.00 0.00 H new ATOM 0 HA GLN A 37 66.649 -6.679 14.898 1.00 0.00 H new ATOM 0 HB2 GLN A 37 65.858 -4.816 12.638 1.00 0.00 H new ATOM 0 HB3 GLN A 37 67.507 -5.410 12.632 1.00 0.00 H new ATOM 0 HG2 GLN A 37 65.826 -7.658 13.258 1.00 0.00 H new ATOM 0 HG3 GLN A 37 65.074 -6.830 11.909 1.00 0.00 H new ATOM 0 HE21 GLN A 37 66.998 -9.373 12.338 1.00 0.00 H new ATOM 0 HE22 GLN A 37 68.132 -9.185 10.996 1.00 0.00 H new ATOM 542 N ALA A 38 68.720 -5.395 15.439 1.00 0.00 N ATOM 543 CA ALA A 38 69.846 -4.602 16.010 1.00 0.00 C ATOM 544 C ALA A 38 70.762 -4.090 14.894 1.00 0.00 C ATOM 545 O ALA A 38 71.951 -4.339 14.892 1.00 0.00 O ATOM 546 CB ALA A 38 70.598 -5.580 16.916 1.00 0.00 C ATOM 0 H ALA A 38 68.895 -6.396 15.349 1.00 0.00 H new ATOM 0 HA ALA A 38 69.496 -3.725 16.555 1.00 0.00 H new ATOM 0 HB1 ALA A 38 71.445 -5.072 17.376 1.00 0.00 H new ATOM 0 HB2 ALA A 38 69.927 -5.945 17.694 1.00 0.00 H new ATOM 0 HB3 ALA A 38 70.958 -6.421 16.324 1.00 0.00 H new ATOM 552 N GLY A 39 70.220 -3.373 13.946 1.00 0.00 N ATOM 553 CA GLY A 39 71.065 -2.844 12.837 1.00 0.00 C ATOM 554 C GLY A 39 70.531 -3.347 11.495 1.00 0.00 C ATOM 555 O GLY A 39 71.275 -3.808 10.653 1.00 0.00 O ATOM 0 H GLY A 39 69.231 -3.131 13.892 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.063 -1.754 12.854 1.00 0.00 H new ATOM 0 HA3 GLY A 39 72.099 -3.163 12.971 1.00 0.00 H new ATOM 559 N ALA A 40 69.246 -3.263 11.286 1.00 0.00 N ATOM 560 CA ALA A 40 68.671 -3.739 9.995 1.00 0.00 C ATOM 561 C ALA A 40 69.033 -2.772 8.866 1.00 0.00 C ATOM 562 O ALA A 40 68.930 -3.096 7.701 1.00 0.00 O ATOM 563 CB ALA A 40 67.159 -3.765 10.217 1.00 0.00 C ATOM 0 H ALA A 40 68.570 -2.887 11.951 1.00 0.00 H new ATOM 0 HA ALA A 40 69.056 -4.718 9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.664 -4.106 9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 40 66.923 -4.445 11.036 1.00 0.00 H new ATOM 0 HB3 ALA A 40 66.810 -2.763 10.466 1.00 0.00 H new ATOM 569 N GLU A 41 69.463 -1.587 9.203 1.00 0.00 N ATOM 570 CA GLU A 41 69.838 -0.606 8.146 1.00 0.00 C ATOM 571 C GLU A 41 71.125 -1.058 7.452 1.00 0.00 C ATOM 572 O GLU A 41 71.279 -0.916 6.256 1.00 0.00 O ATOM 573 CB GLU A 41 70.058 0.712 8.887 1.00 0.00 C ATOM 574 CG GLU A 41 68.706 1.331 9.243 1.00 0.00 C ATOM 575 CD GLU A 41 68.632 1.567 10.754 1.00 0.00 C ATOM 576 OE1 GLU A 41 69.642 1.950 11.324 1.00 0.00 O ATOM 577 OE2 GLU A 41 67.569 1.360 11.315 1.00 0.00 O ATOM 0 H GLU A 41 69.571 -1.256 10.162 1.00 0.00 H new ATOM 0 HA GLU A 41 69.074 -0.511 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 41 70.640 0.539 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 41 70.632 1.399 8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 41 68.574 2.273 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 41 67.898 0.671 8.928 1.00 0.00 H new ATOM 584 N ALA A 42 72.048 -1.611 8.194 1.00 0.00 N ATOM 585 CA ALA A 42 73.318 -2.081 7.572 1.00 0.00 C ATOM 586 C ALA A 42 73.005 -3.099 6.475 1.00 0.00 C ATOM 587 O ALA A 42 73.451 -2.975 5.351 1.00 0.00 O ATOM 588 CB ALA A 42 74.105 -2.732 8.709 1.00 0.00 C ATOM 0 H ALA A 42 71.977 -1.757 9.201 1.00 0.00 H new ATOM 0 HA ALA A 42 73.883 -1.272 7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 42 75.056 -3.104 8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 42 74.291 -1.996 9.491 1.00 0.00 H new ATOM 0 HB3 ALA A 42 73.530 -3.562 9.121 1.00 0.00 H new ATOM 594 N TYR A 43 72.225 -4.100 6.788 1.00 0.00 N ATOM 595 CA TYR A 43 71.873 -5.112 5.754 1.00 0.00 C ATOM 596 C TYR A 43 70.997 -4.453 4.694 1.00 0.00 C ATOM 597 O TYR A 43 71.055 -4.786 3.528 1.00 0.00 O ATOM 598 CB TYR A 43 71.115 -6.207 6.515 1.00 0.00 C ATOM 599 CG TYR A 43 70.252 -7.004 5.564 1.00 0.00 C ATOM 600 CD1 TYR A 43 68.956 -6.568 5.264 1.00 0.00 C ATOM 601 CD2 TYR A 43 70.743 -8.184 4.992 1.00 0.00 C ATOM 602 CE1 TYR A 43 68.152 -7.312 4.392 1.00 0.00 C ATOM 603 CE2 TYR A 43 69.939 -8.927 4.119 1.00 0.00 C ATOM 604 CZ TYR A 43 68.643 -8.491 3.820 1.00 0.00 C ATOM 605 OH TYR A 43 67.850 -9.223 2.960 1.00 0.00 O ATOM 0 H TYR A 43 71.819 -4.259 7.710 1.00 0.00 H new ATOM 0 HA TYR A 43 72.739 -5.526 5.238 1.00 0.00 H new ATOM 0 HB2 TYR A 43 71.823 -6.868 7.016 1.00 0.00 H new ATOM 0 HB3 TYR A 43 70.495 -5.758 7.291 1.00 0.00 H new ATOM 0 HD1 TYR A 43 68.576 -5.658 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 43 71.742 -8.521 5.224 1.00 0.00 H new ATOM 0 HE1 TYR A 43 67.152 -6.976 4.161 1.00 0.00 H new ATOM 0 HE2 TYR A 43 70.319 -9.836 3.677 1.00 0.00 H new ATOM 0 HH TYR A 43 67.495 -8.634 2.262 1.00 0.00 H new ATOM 615 N LEU A 44 70.208 -3.494 5.086 1.00 0.00 N ATOM 616 CA LEU A 44 69.360 -2.787 4.094 1.00 0.00 C ATOM 617 C LEU A 44 70.276 -2.044 3.124 1.00 0.00 C ATOM 618 O LEU A 44 69.926 -1.778 1.991 1.00 0.00 O ATOM 619 CB LEU A 44 68.524 -1.805 4.916 1.00 0.00 C ATOM 620 CG LEU A 44 67.355 -2.548 5.563 1.00 0.00 C ATOM 621 CD1 LEU A 44 66.792 -1.711 6.713 1.00 0.00 C ATOM 622 CD2 LEU A 44 66.262 -2.783 4.520 1.00 0.00 C ATOM 0 H LEU A 44 70.115 -3.171 6.049 1.00 0.00 H new ATOM 0 HA LEU A 44 68.723 -3.453 3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 44 69.142 -1.339 5.683 1.00 0.00 H new ATOM 0 HB3 LEU A 44 68.151 -1.005 4.277 1.00 0.00 H new ATOM 0 HG LEU A 44 67.702 -3.507 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 44 65.958 -2.241 7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 44 67.571 -1.543 7.456 1.00 0.00 H new ATOM 0 HD13 LEU A 44 66.444 -0.752 6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 44 65.428 -3.313 4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 44 65.915 -1.824 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 44 66.663 -3.380 3.701 1.00 0.00 H new ATOM 634 N ALA A 45 71.459 -1.721 3.570 1.00 0.00 N ATOM 635 CA ALA A 45 72.423 -1.007 2.693 1.00 0.00 C ATOM 636 C ALA A 45 73.091 -1.996 1.740 1.00 0.00 C ATOM 637 O ALA A 45 73.385 -1.677 0.604 1.00 0.00 O ATOM 638 CB ALA A 45 73.452 -0.399 3.647 1.00 0.00 C ATOM 0 H ALA A 45 71.799 -1.923 4.510 1.00 0.00 H new ATOM 0 HA ALA A 45 71.942 -0.246 2.078 1.00 0.00 H new ATOM 0 HB1 ALA A 45 74.201 0.147 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 45 72.952 0.284 4.334 1.00 0.00 H new ATOM 0 HB3 ALA A 45 73.937 -1.194 4.214 1.00 0.00 H new ATOM 644 N GLN A 46 73.335 -3.199 2.188 1.00 0.00 N ATOM 645 CA GLN A 46 73.986 -4.198 1.294 1.00 0.00 C ATOM 646 C GLN A 46 72.966 -4.764 0.304 1.00 0.00 C ATOM 647 O GLN A 46 73.314 -5.220 -0.767 1.00 0.00 O ATOM 648 CB GLN A 46 74.505 -5.294 2.226 1.00 0.00 C ATOM 649 CG GLN A 46 75.963 -5.011 2.592 1.00 0.00 C ATOM 650 CD GLN A 46 76.394 -5.937 3.730 1.00 0.00 C ATOM 651 OE1 GLN A 46 77.350 -6.676 3.599 1.00 0.00 O ATOM 652 NE2 GLN A 46 75.725 -5.930 4.851 1.00 0.00 N ATOM 0 H GLN A 46 73.113 -3.530 3.127 1.00 0.00 H new ATOM 0 HA GLN A 46 74.790 -3.760 0.702 1.00 0.00 H new ATOM 0 HB2 GLN A 46 73.895 -5.337 3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 46 74.424 -6.266 1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 46 76.603 -5.164 1.723 1.00 0.00 H new ATOM 0 HG3 GLN A 46 76.078 -3.970 2.893 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.923 -5.310 4.962 1.00 0.00 H new ATOM 0 HE22 GLN A 46 76.005 -6.544 5.616 1.00 0.00 H new ATOM 661 N ARG A 47 71.707 -4.728 0.647 1.00 0.00 N ATOM 662 CA ARG A 47 70.671 -5.254 -0.285 1.00 0.00 C ATOM 663 C ARG A 47 70.203 -4.134 -1.207 1.00 0.00 C ATOM 664 O ARG A 47 69.690 -4.372 -2.281 1.00 0.00 O ATOM 665 CB ARG A 47 69.531 -5.733 0.613 1.00 0.00 C ATOM 666 CG ARG A 47 70.064 -6.778 1.595 1.00 0.00 C ATOM 667 CD ARG A 47 69.978 -8.171 0.961 1.00 0.00 C ATOM 668 NE ARG A 47 70.959 -8.146 -0.160 1.00 0.00 N ATOM 669 CZ ARG A 47 72.241 -8.136 0.089 1.00 0.00 C ATOM 670 NH1 ARG A 47 72.672 -8.151 1.322 1.00 0.00 N ATOM 671 NH2 ARG A 47 73.096 -8.112 -0.898 1.00 0.00 N ATOM 0 H ARG A 47 71.353 -4.358 1.529 1.00 0.00 H new ATOM 0 HA ARG A 47 71.043 -6.060 -0.918 1.00 0.00 H new ATOM 0 HB2 ARG A 47 69.103 -4.891 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 47 68.732 -6.161 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 47 71.097 -6.551 1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 47 69.486 -6.752 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 47 70.224 -8.949 1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 47 68.971 -8.379 0.599 1.00 0.00 H new ATOM 0 HE ARG A 47 70.628 -8.137 -1.125 1.00 0.00 H new ATOM 0 HH11 ARG A 47 72.006 -8.171 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 47 73.674 -8.143 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 47 72.762 -8.101 -1.862 1.00 0.00 H new ATOM 0 HH22 ARG A 47 74.098 -8.104 -0.705 1.00 0.00 H new ATOM 685 N ILE A 48 70.388 -2.910 -0.804 1.00 0.00 N ATOM 686 CA ILE A 48 69.968 -1.776 -1.668 1.00 0.00 C ATOM 687 C ILE A 48 71.072 -1.464 -2.678 1.00 0.00 C ATOM 688 O ILE A 48 70.820 -0.952 -3.752 1.00 0.00 O ATOM 689 CB ILE A 48 69.768 -0.600 -0.713 1.00 0.00 C ATOM 690 CG1 ILE A 48 68.459 -0.783 0.058 1.00 0.00 C ATOM 691 CG2 ILE A 48 69.713 0.703 -1.512 1.00 0.00 C ATOM 692 CD1 ILE A 48 68.360 0.281 1.154 1.00 0.00 C ATOM 0 H ILE A 48 70.812 -2.646 0.086 1.00 0.00 H new ATOM 0 HA ILE A 48 69.062 -1.994 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 48 70.600 -0.559 -0.009 1.00 0.00 H new ATOM 0 HG12 ILE A 48 67.610 -0.701 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 48 68.420 -1.779 0.499 1.00 0.00 H new ATOM 0 HG21 ILE A 48 69.570 1.542 -0.831 1.00 0.00 H new ATOM 0 HG22 ILE A 48 70.647 0.834 -2.059 1.00 0.00 H new ATOM 0 HG23 ILE A 48 68.883 0.663 -2.217 1.00 0.00 H new ATOM 0 HD11 ILE A 48 67.428 0.151 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 48 69.202 0.178 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 48 68.379 1.272 0.701 1.00 0.00 H new ATOM 704 N LYS A 49 72.296 -1.771 -2.341 1.00 0.00 N ATOM 705 CA LYS A 49 73.416 -1.491 -3.280 1.00 0.00 C ATOM 706 C LYS A 49 73.656 -2.691 -4.201 1.00 0.00 C ATOM 707 O LYS A 49 74.431 -2.620 -5.134 1.00 0.00 O ATOM 708 CB LYS A 49 74.629 -1.256 -2.379 1.00 0.00 C ATOM 709 CG LYS A 49 75.902 -1.236 -3.227 1.00 0.00 C ATOM 710 CD LYS A 49 77.024 -0.545 -2.448 1.00 0.00 C ATOM 711 CE LYS A 49 78.381 -0.994 -2.996 1.00 0.00 C ATOM 712 NZ LYS A 49 79.094 0.270 -3.331 1.00 0.00 N ATOM 0 H LYS A 49 72.567 -2.203 -1.457 1.00 0.00 H new ATOM 0 HA LYS A 49 73.210 -0.637 -3.926 1.00 0.00 H new ATOM 0 HB2 LYS A 49 74.521 -0.312 -1.845 1.00 0.00 H new ATOM 0 HB3 LYS A 49 74.694 -2.042 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 49 76.197 -2.254 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 49 75.719 -0.711 -4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 49 76.926 0.537 -2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 49 76.949 -0.790 -1.388 1.00 0.00 H new ATOM 0 HE2 LYS A 49 78.933 -1.576 -2.258 1.00 0.00 H new ATOM 0 HE3 LYS A 49 78.263 -1.626 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 80.035 0.047 -3.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 78.548 0.799 -4.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 79.198 0.848 -2.473 1.00 0.00 H new ATOM 726 N ASN A 50 73.005 -3.795 -3.948 1.00 0.00 N ATOM 727 CA ASN A 50 73.215 -4.994 -4.816 1.00 0.00 C ATOM 728 C ASN A 50 71.878 -5.628 -5.219 1.00 0.00 C ATOM 729 O ASN A 50 71.837 -6.530 -6.032 1.00 0.00 O ATOM 730 CB ASN A 50 74.023 -5.965 -3.955 1.00 0.00 C ATOM 731 CG ASN A 50 75.518 -5.717 -4.161 1.00 0.00 C ATOM 732 OD1 ASN A 50 75.952 -5.426 -5.258 1.00 0.00 O ATOM 733 ND2 ASN A 50 76.328 -5.823 -3.145 1.00 0.00 N ATOM 0 H ASN A 50 72.341 -3.920 -3.184 1.00 0.00 H new ATOM 0 HA ASN A 50 73.724 -4.734 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 50 73.765 -5.835 -2.904 1.00 0.00 H new ATOM 0 HB3 ASN A 50 73.775 -6.993 -4.220 1.00 0.00 H new ATOM 0 HD21 ASN A 50 77.327 -5.662 -3.270 1.00 0.00 H new ATOM 0 HD22 ASN A 50 75.962 -6.067 -2.225 1.00 0.00 H new ATOM 740 N GLY A 51 70.787 -5.173 -4.666 1.00 0.00 N ATOM 741 CA GLY A 51 69.469 -5.770 -5.034 1.00 0.00 C ATOM 742 C GLY A 51 69.393 -7.198 -4.484 1.00 0.00 C ATOM 743 O GLY A 51 70.403 -7.784 -4.146 1.00 0.00 O ATOM 0 H GLY A 51 70.749 -4.419 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 51 68.657 -5.167 -4.628 1.00 0.00 H new ATOM 0 HA3 GLY A 51 69.349 -5.778 -6.117 1.00 0.00 H new ATOM 747 N SER A 52 68.218 -7.776 -4.379 1.00 0.00 N ATOM 748 CA SER A 52 68.163 -9.176 -3.830 1.00 0.00 C ATOM 749 C SER A 52 66.753 -9.785 -3.888 1.00 0.00 C ATOM 750 O SER A 52 65.760 -9.094 -3.785 1.00 0.00 O ATOM 751 CB SER A 52 68.607 -9.043 -2.372 1.00 0.00 C ATOM 752 OG SER A 52 68.753 -7.668 -2.039 1.00 0.00 O ATOM 0 H SER A 52 67.323 -7.360 -4.638 1.00 0.00 H new ATOM 0 HA SER A 52 68.795 -9.841 -4.419 1.00 0.00 H new ATOM 0 HB2 SER A 52 67.874 -9.511 -1.714 1.00 0.00 H new ATOM 0 HB3 SER A 52 69.551 -9.566 -2.220 1.00 0.00 H new ATOM 0 HG SER A 52 67.902 -7.322 -1.697 1.00 0.00 H new ATOM 758 N GLN A 53 66.675 -11.092 -4.024 1.00 0.00 N ATOM 759 CA GLN A 53 65.347 -11.785 -4.061 1.00 0.00 C ATOM 760 C GLN A 53 65.175 -12.635 -2.793 1.00 0.00 C ATOM 761 O GLN A 53 65.991 -12.592 -1.894 1.00 0.00 O ATOM 762 CB GLN A 53 65.375 -12.660 -5.339 1.00 0.00 C ATOM 763 CG GLN A 53 65.666 -14.135 -5.021 1.00 0.00 C ATOM 764 CD GLN A 53 67.083 -14.261 -4.457 1.00 0.00 C ATOM 765 OE1 GLN A 53 67.252 -14.476 -3.182 1.00 0.00 O flip ATOM 766 NE2 GLN A 53 68.049 -14.164 -5.188 1.00 0.00 N flip ATOM 0 H GLN A 53 67.482 -11.710 -4.111 1.00 0.00 H new ATOM 0 HA GLN A 53 64.507 -11.090 -4.088 1.00 0.00 H new ATOM 0 HB2 GLN A 53 64.417 -12.582 -5.853 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.135 -12.280 -6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 53 64.941 -14.514 -4.301 1.00 0.00 H new ATOM 0 HG3 GLN A 53 65.566 -14.740 -5.922 1.00 0.00 H new ATOM 0 HE21 GLN A 53 67.919 -13.996 -6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 53 68.990 -14.251 -4.804 1.00 0.00 H new ATOM 775 N GLY A 54 64.125 -13.410 -2.714 1.00 0.00 N ATOM 776 CA GLY A 54 63.917 -14.257 -1.505 1.00 0.00 C ATOM 777 C GLY A 54 63.759 -13.353 -0.288 1.00 0.00 C ATOM 778 O GLY A 54 63.865 -13.784 0.843 1.00 0.00 O ATOM 0 H GLY A 54 63.405 -13.492 -3.432 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.031 -14.880 -1.629 1.00 0.00 H new ATOM 0 HA3 GLY A 54 64.763 -14.930 -1.367 1.00 0.00 H new ATOM 782 N VAL A 55 63.501 -12.099 -0.519 1.00 0.00 N ATOM 783 CA VAL A 55 63.327 -11.149 0.610 1.00 0.00 C ATOM 784 C VAL A 55 61.845 -11.055 0.964 1.00 0.00 C ATOM 785 O VAL A 55 61.403 -11.549 1.983 1.00 0.00 O ATOM 786 CB VAL A 55 63.843 -9.819 0.063 1.00 0.00 C ATOM 787 CG1 VAL A 55 63.637 -8.717 1.100 1.00 0.00 C ATOM 788 CG2 VAL A 55 65.335 -9.951 -0.254 1.00 0.00 C ATOM 0 H VAL A 55 63.403 -11.689 -1.448 1.00 0.00 H new ATOM 0 HA VAL A 55 63.854 -11.448 1.516 1.00 0.00 H new ATOM 0 HB VAL A 55 63.295 -9.562 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 55 64.007 -7.771 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 55 62.575 -8.625 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 55 64.182 -8.967 2.010 1.00 0.00 H new ATOM 0 HG21 VAL A 55 65.709 -9.005 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 55 65.879 -10.208 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 55 65.481 -10.734 -0.998 1.00 0.00 H new ATOM 798 N TRP A 56 61.074 -10.439 0.117 1.00 0.00 N ATOM 799 CA TRP A 56 59.620 -10.319 0.372 1.00 0.00 C ATOM 800 C TRP A 56 58.866 -11.202 -0.621 1.00 0.00 C ATOM 801 O TRP A 56 57.893 -11.850 -0.289 1.00 0.00 O ATOM 802 CB TRP A 56 59.309 -8.853 0.111 1.00 0.00 C ATOM 803 CG TRP A 56 60.055 -7.997 1.084 1.00 0.00 C ATOM 804 CD1 TRP A 56 61.208 -7.343 0.813 1.00 0.00 C ATOM 805 CD2 TRP A 56 59.726 -7.687 2.472 1.00 0.00 C ATOM 806 NE1 TRP A 56 61.608 -6.653 1.943 1.00 0.00 N ATOM 807 CE2 TRP A 56 60.728 -6.832 2.990 1.00 0.00 C ATOM 808 CE3 TRP A 56 58.668 -8.060 3.320 1.00 0.00 C ATOM 809 CZ2 TRP A 56 60.681 -6.364 4.304 1.00 0.00 C ATOM 810 CZ3 TRP A 56 58.619 -7.589 4.644 1.00 0.00 C ATOM 811 CH2 TRP A 56 59.623 -6.744 5.133 1.00 0.00 C ATOM 0 H TRP A 56 61.395 -10.009 -0.750 1.00 0.00 H new ATOM 0 HA TRP A 56 59.333 -10.627 1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 56 59.588 -8.588 -0.909 1.00 0.00 H new ATOM 0 HB3 TRP A 56 58.237 -8.677 0.204 1.00 0.00 H new ATOM 0 HD1 TRP A 56 61.731 -7.357 -0.132 1.00 0.00 H new ATOM 0 HE1 TRP A 56 62.451 -6.081 1.996 1.00 0.00 H new ATOM 0 HE3 TRP A 56 57.889 -8.712 2.952 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 61.457 -5.713 4.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 57.802 -7.881 5.288 1.00 0.00 H new ATOM 0 HH2 TRP A 56 59.579 -6.386 6.151 1.00 0.00 H new ATOM 822 N GLY A 57 59.324 -11.225 -1.841 1.00 0.00 N ATOM 823 CA GLY A 57 58.660 -12.058 -2.882 1.00 0.00 C ATOM 824 C GLY A 57 59.678 -12.416 -3.971 1.00 0.00 C ATOM 825 O GLY A 57 60.835 -12.057 -3.876 1.00 0.00 O ATOM 0 H GLY A 57 60.136 -10.699 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 57 58.255 -12.966 -2.434 1.00 0.00 H new ATOM 0 HA3 GLY A 57 57.821 -11.516 -3.317 1.00 0.00 H new ATOM 829 N PRO A 58 59.213 -13.119 -4.977 1.00 0.00 N ATOM 830 CA PRO A 58 60.090 -13.537 -6.105 1.00 0.00 C ATOM 831 C PRO A 58 60.532 -12.342 -6.968 1.00 0.00 C ATOM 832 O PRO A 58 61.131 -12.523 -8.010 1.00 0.00 O ATOM 833 CB PRO A 58 59.176 -14.468 -6.907 1.00 0.00 C ATOM 834 CG PRO A 58 57.802 -14.536 -6.211 1.00 0.00 C ATOM 835 CD PRO A 58 57.797 -13.549 -5.038 1.00 0.00 C ATOM 0 HA PRO A 58 61.017 -14.001 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 58 59.065 -14.101 -7.927 1.00 0.00 H new ATOM 0 HB3 PRO A 58 59.615 -15.463 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 58 57.008 -14.289 -6.916 1.00 0.00 H new ATOM 0 HG3 PRO A 58 57.608 -15.548 -5.855 1.00 0.00 H new ATOM 0 HD2 PRO A 58 57.125 -12.710 -5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 58 57.476 -14.023 -4.110 1.00 0.00 H new ATOM 843 N ILE A 59 60.254 -11.129 -6.559 1.00 0.00 N ATOM 844 CA ILE A 59 60.685 -9.955 -7.376 1.00 0.00 C ATOM 845 C ILE A 59 61.856 -9.245 -6.682 1.00 0.00 C ATOM 846 O ILE A 59 61.664 -8.243 -6.024 1.00 0.00 O ATOM 847 CB ILE A 59 59.474 -9.020 -7.447 1.00 0.00 C ATOM 848 CG1 ILE A 59 58.186 -9.830 -7.611 1.00 0.00 C ATOM 849 CG2 ILE A 59 59.631 -8.081 -8.645 1.00 0.00 C ATOM 850 CD1 ILE A 59 57.014 -8.869 -7.816 1.00 0.00 C ATOM 0 H ILE A 59 59.751 -10.903 -5.701 1.00 0.00 H new ATOM 0 HA ILE A 59 61.015 -10.255 -8.371 1.00 0.00 H new ATOM 0 HB ILE A 59 59.417 -8.444 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 59 58.272 -10.505 -8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 59 58.016 -10.448 -6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 59 58.771 -7.414 -8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 59 60.541 -7.492 -8.529 1.00 0.00 H new ATOM 0 HG23 ILE A 59 59.693 -8.668 -9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 59 56.092 -9.439 -7.934 1.00 0.00 H new ATOM 0 HD12 ILE A 59 56.926 -8.212 -6.951 1.00 0.00 H new ATOM 0 HD13 ILE A 59 57.187 -8.270 -8.710 1.00 0.00 H new ATOM 862 N PRO A 60 63.035 -9.791 -6.846 1.00 0.00 N ATOM 863 CA PRO A 60 64.245 -9.209 -6.222 1.00 0.00 C ATOM 864 C PRO A 60 64.433 -7.747 -6.605 1.00 0.00 C ATOM 865 O PRO A 60 64.095 -7.329 -7.695 1.00 0.00 O ATOM 866 CB PRO A 60 65.372 -10.040 -6.834 1.00 0.00 C ATOM 867 CG PRO A 60 64.754 -11.076 -7.795 1.00 0.00 C ATOM 868 CD PRO A 60 63.229 -11.014 -7.658 1.00 0.00 C ATOM 0 HA PRO A 60 64.201 -9.232 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 60 66.069 -9.396 -7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 60 65.940 -10.542 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.051 -10.865 -8.822 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.116 -12.076 -7.558 1.00 0.00 H new ATOM 0 HD2 PRO A 60 62.736 -10.941 -8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 60 62.829 -11.899 -7.163 1.00 0.00 H new ATOM 876 N MET A 61 65.005 -6.976 -5.730 1.00 0.00 N ATOM 877 CA MET A 61 65.254 -5.555 -6.061 1.00 0.00 C ATOM 878 C MET A 61 66.461 -5.464 -6.991 1.00 0.00 C ATOM 879 O MET A 61 67.478 -6.063 -6.710 1.00 0.00 O ATOM 880 CB MET A 61 65.591 -4.903 -4.730 1.00 0.00 C ATOM 881 CG MET A 61 66.185 -3.514 -4.981 1.00 0.00 C ATOM 882 SD MET A 61 66.372 -2.632 -3.411 1.00 0.00 S ATOM 883 CE MET A 61 66.836 -4.057 -2.398 1.00 0.00 C ATOM 0 H MET A 61 65.310 -7.269 -4.802 1.00 0.00 H new ATOM 0 HA MET A 61 64.405 -5.081 -6.554 1.00 0.00 H new ATOM 0 HB2 MET A 61 64.695 -4.822 -4.115 1.00 0.00 H new ATOM 0 HB3 MET A 61 66.301 -5.520 -4.179 1.00 0.00 H new ATOM 0 HG2 MET A 61 67.153 -3.606 -5.474 1.00 0.00 H new ATOM 0 HG3 MET A 61 65.538 -2.948 -5.652 1.00 0.00 H new ATOM 0 HE1 MET A 61 67.289 -3.711 -1.469 1.00 0.00 H new ATOM 0 HE2 MET A 61 65.948 -4.647 -2.171 1.00 0.00 H new ATOM 0 HE3 MET A 61 67.552 -4.673 -2.943 1.00 0.00 H new ATOM 893 N PRO A 62 66.330 -4.720 -8.060 1.00 0.00 N ATOM 894 CA PRO A 62 67.456 -4.560 -9.004 1.00 0.00 C ATOM 895 C PRO A 62 68.593 -3.806 -8.306 1.00 0.00 C ATOM 896 O PRO A 62 68.349 -2.817 -7.645 1.00 0.00 O ATOM 897 CB PRO A 62 66.841 -3.713 -10.122 1.00 0.00 C ATOM 898 CG PRO A 62 65.372 -3.417 -9.765 1.00 0.00 C ATOM 899 CD PRO A 62 65.070 -4.013 -8.383 1.00 0.00 C ATOM 0 HA PRO A 62 67.877 -5.497 -9.368 1.00 0.00 H new ATOM 0 HB2 PRO A 62 67.396 -2.782 -10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 62 66.900 -4.242 -11.073 1.00 0.00 H new ATOM 0 HG2 PRO A 62 65.194 -2.342 -9.759 1.00 0.00 H new ATOM 0 HG3 PRO A 62 64.707 -3.846 -10.515 1.00 0.00 H new ATOM 0 HD2 PRO A 62 64.838 -3.241 -7.649 1.00 0.00 H new ATOM 0 HD3 PRO A 62 64.218 -4.693 -8.411 1.00 0.00 H new ATOM 907 N PRO A 63 69.799 -4.285 -8.462 1.00 0.00 N ATOM 908 CA PRO A 63 70.951 -3.621 -7.819 1.00 0.00 C ATOM 909 C PRO A 63 71.047 -2.167 -8.286 1.00 0.00 C ATOM 910 O PRO A 63 70.959 -1.876 -9.462 1.00 0.00 O ATOM 911 CB PRO A 63 72.139 -4.450 -8.309 1.00 0.00 C ATOM 912 CG PRO A 63 71.612 -5.571 -9.229 1.00 0.00 C ATOM 913 CD PRO A 63 70.079 -5.489 -9.278 1.00 0.00 C ATOM 0 HA PRO A 63 70.890 -3.579 -6.732 1.00 0.00 H new ATOM 0 HB2 PRO A 63 72.844 -3.818 -8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 63 72.677 -4.877 -7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 63 72.028 -5.464 -10.231 1.00 0.00 H new ATOM 0 HG3 PRO A 63 71.926 -6.545 -8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 63 69.710 -5.383 -10.298 1.00 0.00 H new ATOM 0 HD3 PRO A 63 69.611 -6.381 -8.861 1.00 0.00 H new ATOM 921 N ASN A 64 71.214 -1.253 -7.372 1.00 0.00 N ATOM 922 CA ASN A 64 71.300 0.183 -7.761 1.00 0.00 C ATOM 923 C ASN A 64 72.734 0.695 -7.609 1.00 0.00 C ATOM 924 O ASN A 64 73.538 0.120 -6.903 1.00 0.00 O ATOM 925 CB ASN A 64 70.374 0.907 -6.784 1.00 0.00 C ATOM 926 CG ASN A 64 68.986 0.266 -6.825 1.00 0.00 C ATOM 927 OD1 ASN A 64 68.794 -0.881 -6.233 1.00 0.00 O flip ATOM 928 ND2 ASN A 64 68.067 0.814 -7.399 1.00 0.00 N flip ATOM 0 H ASN A 64 71.295 -1.438 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 64 71.015 0.345 -8.801 1.00 0.00 H new ATOM 0 HB2 ASN A 64 70.781 0.854 -5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 64 70.306 1.963 -7.046 1.00 0.00 H new ATOM 0 HD21 ASN A 64 68.217 1.711 -7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 64 67.145 0.378 -7.418 1.00 0.00 H new ATOM 935 N ALA A 65 73.057 1.778 -8.262 1.00 0.00 N ATOM 936 CA ALA A 65 74.434 2.334 -8.148 1.00 0.00 C ATOM 937 C ALA A 65 74.496 3.330 -6.989 1.00 0.00 C ATOM 938 O ALA A 65 75.226 4.300 -7.025 1.00 0.00 O ATOM 939 CB ALA A 65 74.694 3.039 -9.479 1.00 0.00 C ATOM 0 H ALA A 65 72.426 2.301 -8.869 1.00 0.00 H new ATOM 0 HA ALA A 65 75.179 1.563 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 65 75.693 3.475 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 65 74.620 2.318 -10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.955 3.827 -9.624 1.00 0.00 H new ATOM 945 N VAL A 66 73.731 3.091 -5.961 1.00 0.00 N ATOM 946 CA VAL A 66 73.734 4.015 -4.790 1.00 0.00 C ATOM 947 C VAL A 66 75.033 3.860 -3.998 1.00 0.00 C ATOM 948 O VAL A 66 75.292 2.825 -3.417 1.00 0.00 O ATOM 949 CB VAL A 66 72.538 3.581 -3.939 1.00 0.00 C ATOM 950 CG1 VAL A 66 71.261 3.650 -4.776 1.00 0.00 C ATOM 951 CG2 VAL A 66 72.754 2.145 -3.457 1.00 0.00 C ATOM 0 H VAL A 66 73.101 2.293 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 66 73.665 5.060 -5.091 1.00 0.00 H new ATOM 0 HB VAL A 66 72.443 4.245 -3.080 1.00 0.00 H new ATOM 0 HG11 VAL A 66 70.411 3.341 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 66 71.107 4.672 -5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 66 71.353 2.986 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 66 71.904 1.833 -2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 66 72.848 1.483 -4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 66 73.664 2.095 -2.859 1.00 0.00 H new ATOM 961 N SER A 67 75.847 4.879 -3.962 1.00 0.00 N ATOM 962 CA SER A 67 77.118 4.779 -3.193 1.00 0.00 C ATOM 963 C SER A 67 76.824 4.203 -1.808 1.00 0.00 C ATOM 964 O SER A 67 75.686 3.988 -1.451 1.00 0.00 O ATOM 965 CB SER A 67 77.634 6.215 -3.090 1.00 0.00 C ATOM 966 OG SER A 67 78.130 6.626 -4.357 1.00 0.00 O ATOM 0 H SER A 67 75.688 5.772 -4.429 1.00 0.00 H new ATOM 0 HA SER A 67 77.852 4.127 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 67 76.833 6.880 -2.767 1.00 0.00 H new ATOM 0 HB3 SER A 67 78.422 6.278 -2.340 1.00 0.00 H new ATOM 0 HG SER A 67 78.460 7.547 -4.296 1.00 0.00 H new ATOM 972 N ASP A 68 77.830 3.944 -1.022 1.00 0.00 N ATOM 973 CA ASP A 68 77.572 3.377 0.332 1.00 0.00 C ATOM 974 C ASP A 68 76.716 4.342 1.154 1.00 0.00 C ATOM 975 O ASP A 68 75.595 4.039 1.509 1.00 0.00 O ATOM 976 CB ASP A 68 78.956 3.202 0.961 1.00 0.00 C ATOM 977 CG ASP A 68 78.809 2.923 2.456 1.00 0.00 C ATOM 978 OD1 ASP A 68 78.334 1.851 2.795 1.00 0.00 O ATOM 979 OD2 ASP A 68 79.171 3.786 3.238 1.00 0.00 O ATOM 0 H ASP A 68 78.811 4.098 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 68 77.027 2.434 0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 68 79.485 2.380 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 68 79.553 4.100 0.806 1.00 0.00 H new ATOM 984 N ASP A 69 77.230 5.500 1.456 1.00 0.00 N ATOM 985 CA ASP A 69 76.433 6.477 2.248 1.00 0.00 C ATOM 986 C ASP A 69 75.067 6.688 1.591 1.00 0.00 C ATOM 987 O ASP A 69 74.118 7.102 2.227 1.00 0.00 O ATOM 988 CB ASP A 69 77.249 7.770 2.217 1.00 0.00 C ATOM 989 CG ASP A 69 78.200 7.806 3.413 1.00 0.00 C ATOM 990 OD1 ASP A 69 79.084 6.966 3.468 1.00 0.00 O ATOM 991 OD2 ASP A 69 78.032 8.674 4.254 1.00 0.00 O ATOM 0 H ASP A 69 78.164 5.812 1.190 1.00 0.00 H new ATOM 0 HA ASP A 69 76.250 6.137 3.267 1.00 0.00 H new ATOM 0 HB2 ASP A 69 77.815 7.832 1.288 1.00 0.00 H new ATOM 0 HB3 ASP A 69 76.583 8.633 2.243 1.00 0.00 H new ATOM 996 N GLU A 70 74.961 6.404 0.321 1.00 0.00 N ATOM 997 CA GLU A 70 73.657 6.589 -0.380 1.00 0.00 C ATOM 998 C GLU A 70 72.665 5.512 0.057 1.00 0.00 C ATOM 999 O GLU A 70 71.562 5.804 0.475 1.00 0.00 O ATOM 1000 CB GLU A 70 73.978 6.459 -1.869 1.00 0.00 C ATOM 1001 CG GLU A 70 74.199 7.851 -2.467 1.00 0.00 C ATOM 1002 CD GLU A 70 72.902 8.659 -2.376 1.00 0.00 C ATOM 1003 OE1 GLU A 70 71.848 8.045 -2.352 1.00 0.00 O ATOM 1004 OE2 GLU A 70 72.986 9.874 -2.332 1.00 0.00 O ATOM 0 H GLU A 70 75.721 6.052 -0.262 1.00 0.00 H new ATOM 0 HA GLU A 70 73.199 7.551 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 70 74.869 5.846 -2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 70 73.161 5.955 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 70 74.998 8.365 -1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 70 74.514 7.766 -3.507 1.00 0.00 H new ATOM 1011 N ALA A 71 73.048 4.270 -0.025 1.00 0.00 N ATOM 1012 CA ALA A 71 72.121 3.186 0.402 1.00 0.00 C ATOM 1013 C ALA A 71 71.917 3.280 1.913 1.00 0.00 C ATOM 1014 O ALA A 71 70.964 2.762 2.460 1.00 0.00 O ATOM 1015 CB ALA A 71 72.826 1.881 0.029 1.00 0.00 C ATOM 0 H ALA A 71 73.957 3.959 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 71 71.141 3.252 -0.071 1.00 0.00 H new ATOM 0 HB1 ALA A 71 72.201 1.035 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 71 73.001 1.856 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 71 73.780 1.820 0.553 1.00 0.00 H new ATOM 1021 N GLN A 72 72.807 3.960 2.586 1.00 0.00 N ATOM 1022 CA GLN A 72 72.669 4.119 4.058 1.00 0.00 C ATOM 1023 C GLN A 72 71.534 5.094 4.342 1.00 0.00 C ATOM 1024 O GLN A 72 70.658 4.834 5.141 1.00 0.00 O ATOM 1025 CB GLN A 72 74.007 4.688 4.527 1.00 0.00 C ATOM 1026 CG GLN A 72 74.803 3.593 5.239 1.00 0.00 C ATOM 1027 CD GLN A 72 74.568 3.690 6.747 1.00 0.00 C ATOM 1028 OE1 GLN A 72 73.569 4.226 7.185 1.00 0.00 O ATOM 1029 NE2 GLN A 72 75.453 3.191 7.567 1.00 0.00 N ATOM 0 H GLN A 72 73.624 4.412 2.176 1.00 0.00 H new ATOM 0 HA GLN A 72 72.439 3.185 4.570 1.00 0.00 H new ATOM 0 HB2 GLN A 72 74.572 5.068 3.676 1.00 0.00 H new ATOM 0 HB3 GLN A 72 73.841 5.529 5.201 1.00 0.00 H new ATOM 0 HG2 GLN A 72 74.498 2.612 4.875 1.00 0.00 H new ATOM 0 HG3 GLN A 72 75.865 3.699 5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 72 76.292 2.741 7.200 1.00 0.00 H new ATOM 0 HE22 GLN A 72 75.306 3.251 8.575 1.00 0.00 H new ATOM 1038 N THR A 73 71.531 6.207 3.663 1.00 0.00 N ATOM 1039 CA THR A 73 70.434 7.187 3.864 1.00 0.00 C ATOM 1040 C THR A 73 69.144 6.578 3.323 1.00 0.00 C ATOM 1041 O THR A 73 68.054 6.917 3.740 1.00 0.00 O ATOM 1042 CB THR A 73 70.840 8.420 3.055 1.00 0.00 C ATOM 1043 OG1 THR A 73 72.229 8.664 3.230 1.00 0.00 O ATOM 1044 CG2 THR A 73 70.042 9.632 3.536 1.00 0.00 C ATOM 0 H THR A 73 72.239 6.478 2.981 1.00 0.00 H new ATOM 0 HA THR A 73 70.271 7.447 4.910 1.00 0.00 H new ATOM 0 HB THR A 73 70.632 8.247 1.999 1.00 0.00 H new ATOM 0 HG1 THR A 73 72.733 8.207 2.524 1.00 0.00 H new ATOM 0 HG21 THR A 73 70.332 10.510 2.959 1.00 0.00 H new ATOM 0 HG22 THR A 73 68.977 9.444 3.400 1.00 0.00 H new ATOM 0 HG23 THR A 73 70.248 9.807 4.592 1.00 0.00 H new ATOM 1052 N LEU A 74 69.272 5.658 2.405 1.00 0.00 N ATOM 1053 CA LEU A 74 68.068 4.992 1.842 1.00 0.00 C ATOM 1054 C LEU A 74 67.499 4.032 2.883 1.00 0.00 C ATOM 1055 O LEU A 74 66.305 3.845 2.984 1.00 0.00 O ATOM 1056 CB LEU A 74 68.571 4.227 0.612 1.00 0.00 C ATOM 1057 CG LEU A 74 68.887 5.220 -0.507 1.00 0.00 C ATOM 1058 CD1 LEU A 74 69.575 4.490 -1.662 1.00 0.00 C ATOM 1059 CD2 LEU A 74 67.586 5.850 -1.006 1.00 0.00 C ATOM 0 H LEU A 74 70.162 5.340 2.021 1.00 0.00 H new ATOM 0 HA LEU A 74 67.278 5.694 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 74 69.462 3.652 0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 74 67.816 3.514 0.279 1.00 0.00 H new ATOM 0 HG LEU A 74 69.549 5.998 -0.126 1.00 0.00 H new ATOM 0 HD11 LEU A 74 69.799 5.199 -2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 74 70.501 4.038 -1.307 1.00 0.00 H new ATOM 0 HD13 LEU A 74 68.915 3.711 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 74 67.808 6.559 -1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 74 66.926 5.070 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 74 67.095 6.371 -0.184 1.00 0.00 H new ATOM 1071 N ALA A 75 68.351 3.434 3.672 1.00 0.00 N ATOM 1072 CA ALA A 75 67.865 2.496 4.722 1.00 0.00 C ATOM 1073 C ALA A 75 67.116 3.278 5.802 1.00 0.00 C ATOM 1074 O ALA A 75 65.998 2.960 6.151 1.00 0.00 O ATOM 1075 CB ALA A 75 69.126 1.850 5.298 1.00 0.00 C ATOM 0 H ALA A 75 69.363 3.555 3.634 1.00 0.00 H new ATOM 0 HA ALA A 75 67.177 1.748 4.329 1.00 0.00 H new ATOM 0 HB1 ALA A 75 68.848 1.144 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 75 69.659 1.323 4.506 1.00 0.00 H new ATOM 0 HB3 ALA A 75 69.771 2.622 5.718 1.00 0.00 H new ATOM 1081 N LYS A 76 67.720 4.312 6.327 1.00 0.00 N ATOM 1082 CA LYS A 76 67.028 5.117 7.371 1.00 0.00 C ATOM 1083 C LYS A 76 65.746 5.708 6.780 1.00 0.00 C ATOM 1084 O LYS A 76 64.755 5.879 7.459 1.00 0.00 O ATOM 1085 CB LYS A 76 68.017 6.220 7.749 1.00 0.00 C ATOM 1086 CG LYS A 76 68.649 5.896 9.105 1.00 0.00 C ATOM 1087 CD LYS A 76 68.527 7.110 10.027 1.00 0.00 C ATOM 1088 CE LYS A 76 69.740 7.173 10.958 1.00 0.00 C ATOM 1089 NZ LYS A 76 69.912 5.783 11.464 1.00 0.00 N ATOM 0 H LYS A 76 68.657 4.631 6.079 1.00 0.00 H new ATOM 0 HA LYS A 76 66.744 4.528 8.243 1.00 0.00 H new ATOM 0 HB2 LYS A 76 68.791 6.306 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 76 67.506 7.182 7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 76 68.153 5.035 9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 76 69.698 5.629 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 76 68.462 8.023 9.435 1.00 0.00 H new ATOM 0 HD3 LYS A 76 67.610 7.044 10.612 1.00 0.00 H new ATOM 0 HE2 LYS A 76 70.629 7.512 10.425 1.00 0.00 H new ATOM 0 HE3 LYS A 76 69.573 7.873 11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 70.358 5.808 12.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 68.983 5.322 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 70.515 5.247 10.808 1.00 0.00 H new ATOM 1103 N TRP A 77 65.761 6.006 5.510 1.00 0.00 N ATOM 1104 CA TRP A 77 64.547 6.570 4.856 1.00 0.00 C ATOM 1105 C TRP A 77 63.420 5.534 4.878 1.00 0.00 C ATOM 1106 O TRP A 77 62.301 5.830 5.249 1.00 0.00 O ATOM 1107 CB TRP A 77 64.982 6.866 3.422 1.00 0.00 C ATOM 1108 CG TRP A 77 63.849 7.479 2.666 1.00 0.00 C ATOM 1109 CD1 TRP A 77 63.192 8.609 3.017 1.00 0.00 C ATOM 1110 CD2 TRP A 77 63.235 7.014 1.435 1.00 0.00 C ATOM 1111 NE1 TRP A 77 62.211 8.864 2.073 1.00 0.00 N ATOM 1112 CE2 TRP A 77 62.199 7.908 1.077 1.00 0.00 C ATOM 1113 CE3 TRP A 77 63.476 5.909 0.603 1.00 0.00 C ATOM 1114 CZ2 TRP A 77 61.430 7.713 -0.069 1.00 0.00 C ATOM 1115 CZ3 TRP A 77 62.704 5.709 -0.554 1.00 0.00 C ATOM 1116 CH2 TRP A 77 61.684 6.610 -0.889 1.00 0.00 C ATOM 0 H TRP A 77 66.565 5.883 4.895 1.00 0.00 H new ATOM 0 HA TRP A 77 64.171 7.461 5.358 1.00 0.00 H new ATOM 0 HB2 TRP A 77 65.838 7.541 3.424 1.00 0.00 H new ATOM 0 HB3 TRP A 77 65.303 5.946 2.932 1.00 0.00 H new ATOM 0 HD1 TRP A 77 63.398 9.212 3.889 1.00 0.00 H new ATOM 0 HE1 TRP A 77 61.575 9.661 2.109 1.00 0.00 H new ATOM 0 HE3 TRP A 77 64.259 5.209 0.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 60.644 8.409 -0.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 62.898 4.857 -1.188 1.00 0.00 H new ATOM 0 HH2 TRP A 77 61.095 6.452 -1.780 1.00 0.00 H new ATOM 1127 N ILE A 78 63.711 4.321 4.491 1.00 0.00 N ATOM 1128 CA ILE A 78 62.662 3.260 4.496 1.00 0.00 C ATOM 1129 C ILE A 78 62.127 3.057 5.919 1.00 0.00 C ATOM 1130 O ILE A 78 60.942 3.160 6.168 1.00 0.00 O ATOM 1131 CB ILE A 78 63.377 1.993 4.004 1.00 0.00 C ATOM 1132 CG1 ILE A 78 63.482 2.016 2.475 1.00 0.00 C ATOM 1133 CG2 ILE A 78 62.588 0.750 4.427 1.00 0.00 C ATOM 1134 CD1 ILE A 78 64.947 1.878 2.062 1.00 0.00 C ATOM 0 H ILE A 78 64.631 4.018 4.171 1.00 0.00 H new ATOM 0 HA ILE A 78 61.809 3.516 3.868 1.00 0.00 H new ATOM 0 HB ILE A 78 64.374 1.962 4.443 1.00 0.00 H new ATOM 0 HG12 ILE A 78 62.895 1.203 2.047 1.00 0.00 H new ATOM 0 HG13 ILE A 78 63.070 2.947 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 78 63.102 -0.144 4.074 1.00 0.00 H new ATOM 0 HG22 ILE A 78 62.512 0.720 5.514 1.00 0.00 H new ATOM 0 HG23 ILE A 78 61.588 0.789 3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 78 65.022 1.894 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 78 65.522 2.706 2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 78 65.344 0.935 2.439 1.00 0.00 H new ATOM 1146 N LEU A 79 62.993 2.764 6.850 1.00 0.00 N ATOM 1147 CA LEU A 79 62.538 2.547 8.254 1.00 0.00 C ATOM 1148 C LEU A 79 62.005 3.850 8.855 1.00 0.00 C ATOM 1149 O LEU A 79 61.398 3.853 9.907 1.00 0.00 O ATOM 1150 CB LEU A 79 63.782 2.079 9.005 1.00 0.00 C ATOM 1151 CG LEU A 79 63.812 0.551 9.038 1.00 0.00 C ATOM 1152 CD1 LEU A 79 65.262 0.069 9.060 1.00 0.00 C ATOM 1153 CD2 LEU A 79 63.094 0.056 10.294 1.00 0.00 C ATOM 0 H LEU A 79 63.997 2.665 6.700 1.00 0.00 H new ATOM 0 HA LEU A 79 61.727 1.821 8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 79 64.679 2.461 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 79 63.778 2.475 10.020 1.00 0.00 H new ATOM 0 HG LEU A 79 63.312 0.159 8.152 1.00 0.00 H new ATOM 0 HD11 LEU A 79 65.283 -1.021 9.084 1.00 0.00 H new ATOM 0 HD12 LEU A 79 65.777 0.423 8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 79 65.762 0.461 9.946 1.00 0.00 H new ATOM 0 HD21 LEU A 79 63.114 -1.034 10.319 1.00 0.00 H new ATOM 0 HD22 LEU A 79 63.595 0.449 11.178 1.00 0.00 H new ATOM 0 HD23 LEU A 79 62.060 0.399 10.281 1.00 0.00 H new ATOM 1165 N SER A 80 62.229 4.957 8.202 1.00 0.00 N ATOM 1166 CA SER A 80 61.732 6.253 8.747 1.00 0.00 C ATOM 1167 C SER A 80 60.387 6.617 8.115 1.00 0.00 C ATOM 1168 O SER A 80 59.636 7.410 8.649 1.00 0.00 O ATOM 1169 CB SER A 80 62.798 7.280 8.366 1.00 0.00 C ATOM 1170 OG SER A 80 62.377 8.578 8.774 1.00 0.00 O ATOM 0 H SER A 80 62.733 5.021 7.317 1.00 0.00 H new ATOM 0 HA SER A 80 61.573 6.210 9.825 1.00 0.00 H new ATOM 0 HB2 SER A 80 63.746 7.028 8.841 1.00 0.00 H new ATOM 0 HB3 SER A 80 62.966 7.263 7.289 1.00 0.00 H new ATOM 0 HG SER A 80 63.062 9.236 8.531 1.00 0.00 H new ATOM 1176 N GLN A 81 60.073 6.050 6.982 1.00 0.00 N ATOM 1177 CA GLN A 81 58.772 6.378 6.329 1.00 0.00 C ATOM 1178 C GLN A 81 57.641 6.334 7.359 1.00 0.00 C ATOM 1179 O GLN A 81 57.043 7.341 7.682 1.00 0.00 O ATOM 1180 CB GLN A 81 58.569 5.300 5.261 1.00 0.00 C ATOM 1181 CG GLN A 81 59.729 5.326 4.256 1.00 0.00 C ATOM 1182 CD GLN A 81 60.123 6.774 3.947 1.00 0.00 C ATOM 1183 OE1 GLN A 81 60.646 7.468 4.796 1.00 0.00 O ATOM 1184 NE2 GLN A 81 59.894 7.263 2.759 1.00 0.00 N ATOM 0 H GLN A 81 60.656 5.378 6.483 1.00 0.00 H new ATOM 0 HA GLN A 81 58.772 7.378 5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 81 58.507 4.319 5.731 1.00 0.00 H new ATOM 0 HB3 GLN A 81 57.625 5.465 4.742 1.00 0.00 H new ATOM 0 HG2 GLN A 81 60.585 4.786 4.662 1.00 0.00 H new ATOM 0 HG3 GLN A 81 59.437 4.816 3.338 1.00 0.00 H new ATOM 0 HE21 GLN A 81 59.455 6.682 2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 81 60.154 8.226 2.545 1.00 0.00 H new ATOM 1193 N LYS A 82 57.343 5.175 7.878 1.00 0.00 N ATOM 1194 CA LYS A 82 56.251 5.070 8.887 1.00 0.00 C ATOM 1195 C LYS A 82 54.994 5.785 8.382 1.00 0.00 C ATOM 1196 O LYS A 82 54.567 5.481 7.280 1.00 0.00 O ATOM 1197 CB LYS A 82 56.800 5.764 10.134 1.00 0.00 C ATOM 1198 CG LYS A 82 56.985 4.736 11.252 1.00 0.00 C ATOM 1199 CD LYS A 82 57.466 5.442 12.520 1.00 0.00 C ATOM 1200 CE LYS A 82 57.149 4.573 13.739 1.00 0.00 C ATOM 1201 NZ LYS A 82 55.662 4.547 13.816 1.00 0.00 N ATOM 1202 OXT LYS A 82 54.482 6.623 9.106 1.00 0.00 O ATOM 0 H LYS A 82 57.808 4.297 7.648 1.00 0.00 H new ATOM 0 HA LYS A 82 55.968 4.036 9.086 1.00 0.00 H new ATOM 0 HB2 LYS A 82 57.752 6.244 9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 82 56.116 6.549 10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 82 56.045 4.220 11.445 1.00 0.00 H new ATOM 0 HG3 LYS A 82 57.708 3.979 10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 82 58.538 5.627 12.461 1.00 0.00 H new ATOM 0 HD3 LYS A 82 56.979 6.413 12.616 1.00 0.00 H new ATOM 0 HE2 LYS A 82 57.556 3.568 13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 82 57.584 4.992 14.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 55.366 4.564 14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 55.274 5.378 13.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 55.306 3.681 13.363 1.00 0.00 H new TER 1216 LYS A 82 HETATM 1217 FE HEM A 83 63.761 -1.585 -3.829 1.00 0.00 FE HETATM 1218 CHA HEM A 83 63.066 -4.203 -1.827 1.00 0.00 C HETATM 1219 CHB HEM A 83 65.214 0.052 -1.219 1.00 0.00 C HETATM 1220 CHC HEM A 83 64.606 0.914 -5.903 1.00 0.00 C HETATM 1221 CHD HEM A 83 62.056 -3.079 -6.334 1.00 0.00 C HETATM 1222 NA HEM A 83 64.105 -2.002 -1.954 1.00 0.00 N HETATM 1223 C1A HEM A 83 63.832 -3.185 -1.312 1.00 0.00 C HETATM 1224 C2A HEM A 83 64.396 -3.217 0.000 1.00 0.00 C HETATM 1225 C3A HEM A 83 64.929 -1.991 0.221 1.00 0.00 C HETATM 1226 C4A HEM A 83 64.741 -1.233 -1.000 1.00 0.00 C HETATM 1227 CMA HEM A 83 65.605 -1.508 1.491 1.00 0.00 C HETATM 1228 CAA HEM A 83 64.468 -4.466 0.863 1.00 0.00 C HETATM 1229 CBA HEM A 83 65.011 -5.657 0.061 1.00 0.00 C HETATM 1230 CGA HEM A 83 65.640 -6.669 1.021 1.00 0.00 C HETATM 1231 O1A HEM A 83 66.566 -7.348 0.609 1.00 0.00 O HETATM 1232 O2A HEM A 83 65.185 -6.747 2.149 1.00 0.00 O HETATM 1233 NB HEM A 83 64.694 0.112 -3.605 1.00 0.00 N HETATM 1234 C1B HEM A 83 65.211 0.673 -2.452 1.00 0.00 C HETATM 1235 C2B HEM A 83 65.825 1.958 -2.729 1.00 0.00 C HETATM 1236 C3B HEM A 83 65.686 2.158 -4.061 1.00 0.00 C HETATM 1237 C4B HEM A 83 64.977 1.028 -4.582 1.00 0.00 C HETATM 1238 CMB HEM A 83 66.498 2.877 -1.722 1.00 0.00 C HETATM 1239 CAB HEM A 83 66.223 3.265 -4.961 1.00 0.00 C HETATM 1240 CBB HEM A 83 67.716 3.090 -5.238 1.00 0.00 C HETATM 1241 NC HEM A 83 63.453 -1.196 -5.718 1.00 0.00 N HETATM 1242 C1C HEM A 83 63.887 -0.117 -6.442 1.00 0.00 C HETATM 1243 C2C HEM A 83 63.412 -0.163 -7.810 1.00 0.00 C HETATM 1244 C3C HEM A 83 62.669 -1.285 -7.911 1.00 0.00 C HETATM 1245 C4C HEM A 83 62.722 -1.920 -6.622 1.00 0.00 C HETATM 1246 CMC HEM A 83 63.666 0.882 -8.884 1.00 0.00 C HETATM 1247 CAC HEM A 83 61.724 -1.745 -9.019 1.00 0.00 C HETATM 1248 CBC HEM A 83 62.440 -2.014 -10.344 1.00 0.00 C HETATM 1249 ND HEM A 83 62.728 -3.240 -4.016 1.00 0.00 N HETATM 1250 C1D HEM A 83 62.043 -3.692 -5.116 1.00 0.00 C HETATM 1251 C2D HEM A 83 61.388 -4.949 -4.865 1.00 0.00 C HETATM 1252 C3D HEM A 83 61.721 -5.302 -3.611 1.00 0.00 C HETATM 1253 C4D HEM A 83 62.526 -4.225 -3.082 1.00 0.00 C HETATM 1254 CMD HEM A 83 60.486 -5.703 -5.829 1.00 0.00 C HETATM 1255 CAD HEM A 83 61.431 -6.631 -2.936 1.00 0.00 C HETATM 1256 CBD HEM A 83 62.541 -7.634 -3.255 1.00 0.00 C HETATM 1257 CGD HEM A 83 61.955 -9.045 -3.324 1.00 0.00 C HETATM 1258 O1D HEM A 83 62.728 -9.988 -3.301 1.00 0.00 O HETATM 1259 O2D HEM A 83 60.742 -9.159 -3.398 1.00 0.00 O HETATM 0 HMA1 HEM A 83 65.165 -2.012 2.352 1.00 0.00 H new HETATM 0 HMA2 HEM A 83 65.466 -0.431 1.590 1.00 0.00 H new HETATM 0 HMA3 HEM A 83 66.670 -1.733 1.444 1.00 0.00 H new HETATM 0 HMB1 HEM A 83 67.285 3.446 -2.218 1.00 0.00 H new HETATM 0 HMB2 HEM A 83 66.932 2.281 -0.919 1.00 0.00 H new HETATM 0 HMB3 HEM A 83 65.761 3.564 -1.307 1.00 0.00 H new HETATM 0 HMC1 HEM A 83 63.684 0.401 -9.862 1.00 0.00 H new HETATM 0 HMC2 HEM A 83 64.625 1.367 -8.700 1.00 0.00 H new HETATM 0 HMC3 HEM A 83 62.872 1.628 -8.861 1.00 0.00 H new HETATM 0 HMD1 HEM A 83 59.976 -4.993 -6.481 1.00 0.00 H new HETATM 0 HMD2 HEM A 83 59.747 -6.273 -5.266 1.00 0.00 H new HETATM 0 HMD3 HEM A 83 61.087 -6.383 -6.433 1.00 0.00 H new HETATM 0 HBB1 HEM A 83 68.241 3.808 -5.868 1.00 0.00 H new HETATM 0 HBB2 HEM A 83 68.256 2.248 -4.805 1.00 0.00 H new HETATM 0 HBC1 HEM A 83 61.872 -2.348 -11.212 1.00 0.00 H new HETATM 0 HBC2 HEM A 83 63.518 -1.871 -10.420 1.00 0.00 H new HETATM 0 HBA1 HEM A 83 65.752 -5.316 -0.662 1.00 0.00 H new HETATM 0 HBA2 HEM A 83 64.206 -6.127 -0.504 1.00 0.00 H new HETATM 0 HAA1 HEM A 83 63.477 -4.704 1.248 1.00 0.00 H new HETATM 0 HAA2 HEM A 83 65.109 -4.281 1.725 1.00 0.00 H new HETATM 0 HBD1 HEM A 83 63.316 -7.589 -2.490 1.00 0.00 H new HETATM 0 HBD2 HEM A 83 63.013 -7.379 -4.204 1.00 0.00 H new HETATM 0 HAD1 HEM A 83 60.471 -7.019 -3.276 1.00 0.00 H new HETATM 0 HAD2 HEM A 83 61.355 -6.491 -1.858 1.00 0.00 H new HETATM 0 HHA HEM A 83 62.876 -5.053 -1.189 1.00 0.00 H new HETATM 0 HHB HEM A 83 65.608 0.599 -0.375 1.00 0.00 H new HETATM 0 HHC HEM A 83 64.909 1.707 -6.571 1.00 0.00 H new HETATM 0 HHD HEM A 83 61.497 -3.545 -7.132 1.00 0.00 H new HETATM 0 HAB HEM A 83 65.618 4.080 -5.358 1.00 0.00 H new HETATM 0 HAC HEM A 83 60.650 -1.869 -8.880 1.00 0.00 H new