USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD Set 1.1: A 10 ASN :FLIP amide:sc= -5.74! C(o=-11!,f=-5.8!) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -0.112 (180deg=-0.0653) USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.143 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -112:sc= 1.04 (180deg=-0.235!) USER MOD Single : A 21 GLN : amide:sc= -8.7! C(o=-8.7!,f=-18!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc= -2.51 (180deg=-2.95) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -170:sc= -0.643 (180deg=-0.753) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 153:sc= -0.202 (180deg=-1.12) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl -30:sc= -0.0535 (180deg=-0.124) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -0.873 (180deg=-3.41!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -1.22 (180deg=-3.48!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -4.31! (180deg=-4.31!) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.23 (180deg=-0.23) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.64! (180deg=-6.64!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -10.7! (180deg=-10.7!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -5.97! (180deg=-11.2!) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.237 (180deg=-1.61) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -3.66! (180deg=-5.69!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -7.62! (180deg=-7.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.559 11.149 -1.629 1.00 1.00 N ATOM 2 CA ALA A 1 -10.721 11.007 -2.808 1.00 1.00 C ATOM 3 C ALA A 1 -10.174 9.580 -2.871 1.00 1.00 C ATOM 4 O ALA A 1 -10.381 8.791 -1.950 1.00 1.00 O ATOM 5 CB ALA A 1 -9.609 12.057 -2.774 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.560 11.090 -1.905 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.341 10.388 -0.954 1.00 1.00 H new ATOM 0 H3 ALA A 1 -11.377 12.071 -1.183 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.302 11.177 -3.714 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -8.981 11.950 -3.658 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.050 13.054 -2.760 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -9.003 11.916 -1.879 1.00 1.00 H new ATOM 11 N ASP A 2 -9.486 9.291 -3.965 1.00 1.00 N ATOM 12 CA ASP A 2 -8.907 7.973 -4.160 1.00 1.00 C ATOM 13 C ASP A 2 -8.213 7.530 -2.870 1.00 1.00 C ATOM 14 O ASP A 2 -8.226 6.348 -2.529 1.00 1.00 O ATOM 15 CB ASP A 2 -7.863 7.989 -5.278 1.00 1.00 C ATOM 16 CG ASP A 2 -8.085 6.957 -6.385 1.00 1.00 C ATOM 17 OD1 ASP A 2 -8.922 6.052 -6.256 1.00 1.00 O ATOM 18 OD2 ASP A 2 -7.344 7.111 -7.430 1.00 1.00 O ATOM 0 H ASP A 2 -9.316 9.948 -4.727 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.711 7.288 -4.429 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.848 8.983 -5.726 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.880 7.822 -4.839 1.00 1.00 H new ATOM 24 N ASP A 3 -7.624 8.502 -2.189 1.00 1.00 N ATOM 25 CA ASP A 3 -6.926 8.227 -0.945 1.00 1.00 C ATOM 26 C ASP A 3 -7.694 7.162 -0.159 1.00 1.00 C ATOM 27 O ASP A 3 -8.819 7.400 0.278 1.00 1.00 O ATOM 28 CB ASP A 3 -6.835 9.483 -0.076 1.00 1.00 C ATOM 29 CG ASP A 3 -6.477 9.230 1.390 1.00 1.00 C ATOM 30 OD1 ASP A 3 -7.050 9.844 2.303 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.556 8.347 1.582 1.00 1.00 O ATOM 0 H ASP A 3 -7.616 9.481 -2.475 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.921 7.885 -1.190 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.089 10.151 -0.506 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.791 10.005 -0.116 1.00 1.00 H new ATOM 37 N ILE A 4 -7.056 6.012 -0.003 1.00 1.00 N ATOM 38 CA ILE A 4 -7.665 4.911 0.723 1.00 1.00 C ATOM 39 C ILE A 4 -6.964 4.746 2.073 1.00 1.00 C ATOM 40 O ILE A 4 -5.978 4.019 2.181 1.00 1.00 O ATOM 41 CB ILE A 4 -7.661 3.640 -0.130 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.900 3.579 -1.026 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.524 2.393 0.745 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.929 2.279 -1.833 1.00 1.00 C ATOM 0 H ILE A 4 -6.123 5.819 -0.367 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.713 5.126 0.931 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.790 3.670 -0.785 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.799 3.652 -0.415 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.905 4.432 -1.704 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.524 1.504 0.114 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.589 2.442 1.304 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.361 2.343 1.441 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.819 2.261 -2.461 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -8.040 2.221 -2.461 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.948 1.428 -1.152 1.00 1.00 H new ATOM 56 N VAL A 5 -7.501 5.434 3.070 1.00 1.00 N ATOM 57 CA VAL A 5 -6.941 5.373 4.409 1.00 1.00 C ATOM 58 C VAL A 5 -7.214 3.993 5.010 1.00 1.00 C ATOM 59 O VAL A 5 -8.351 3.523 5.002 1.00 1.00 O ATOM 60 CB VAL A 5 -7.495 6.517 5.261 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.794 6.578 6.620 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.382 7.854 4.525 1.00 1.00 C ATOM 0 H VAL A 5 -8.319 6.037 2.977 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.859 5.504 4.376 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.552 6.321 5.438 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.206 7.400 7.206 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.949 5.639 7.152 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.726 6.738 6.472 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.783 8.650 5.153 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.335 8.060 4.303 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -7.948 7.806 3.595 1.00 1.00 H new ATOM 72 N LEU A 6 -6.153 3.383 5.516 1.00 1.00 N ATOM 73 CA LEU A 6 -6.264 2.066 6.120 1.00 1.00 C ATOM 74 C LEU A 6 -6.452 2.216 7.631 1.00 1.00 C ATOM 75 O LEU A 6 -6.540 3.332 8.141 1.00 1.00 O ATOM 76 CB LEU A 6 -5.066 1.196 5.733 1.00 1.00 C ATOM 77 CG LEU A 6 -4.952 0.833 4.251 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.553 0.308 3.922 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.046 -0.154 3.842 1.00 1.00 C ATOM 0 H LEU A 6 -5.212 3.776 5.520 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.143 1.546 5.739 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.155 1.714 6.031 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.111 0.273 6.310 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.102 1.739 3.665 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.498 0.057 2.863 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.813 1.075 4.152 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.349 -0.583 4.517 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -5.942 -0.395 2.784 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -5.953 -1.065 4.433 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.024 0.294 4.017 1.00 1.00 H new ATOM 91 N LYS A 7 -6.508 1.077 8.304 1.00 1.00 N ATOM 92 CA LYS A 7 -6.684 1.068 9.747 1.00 1.00 C ATOM 93 C LYS A 7 -5.324 0.875 10.421 1.00 1.00 C ATOM 94 O LYS A 7 -4.564 -0.019 10.049 1.00 1.00 O ATOM 95 CB LYS A 7 -7.726 0.024 10.153 1.00 1.00 C ATOM 96 CG LYS A 7 -8.908 0.022 9.182 1.00 1.00 C ATOM 97 CD LYS A 7 -10.237 -0.042 9.936 1.00 1.00 C ATOM 98 CE LYS A 7 -10.727 1.360 10.302 1.00 1.00 C ATOM 99 NZ LYS A 7 -12.198 1.367 10.474 1.00 1.00 N ATOM 0 H LYS A 7 -6.435 0.153 7.877 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.076 2.026 10.089 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -7.267 -0.964 10.174 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.080 0.232 11.162 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.878 0.921 8.566 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -8.827 -0.830 8.507 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.984 -0.543 9.321 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.117 -0.637 10.841 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.246 1.691 11.222 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.443 2.066 9.522 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -12.514 2.326 10.722 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.653 1.071 9.587 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -12.462 0.708 11.234 1.00 1.00 H new ATOM 112 N ALA A 8 -5.058 1.727 11.400 1.00 1.00 N ATOM 113 CA ALA A 8 -3.803 1.661 12.130 1.00 1.00 C ATOM 114 C ALA A 8 -3.792 2.739 13.215 1.00 1.00 C ATOM 115 O ALA A 8 -3.700 3.928 12.912 1.00 1.00 O ATOM 116 CB ALA A 8 -2.636 1.805 11.151 1.00 1.00 C ATOM 0 H ALA A 8 -5.690 2.467 11.705 1.00 1.00 H new ATOM 0 HA ALA A 8 -3.696 0.696 12.625 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -1.694 1.756 11.698 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -2.673 0.998 10.419 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.708 2.764 10.638 1.00 1.00 H new ATOM 122 N LYS A 9 -3.885 2.286 14.456 1.00 1.00 N ATOM 123 CA LYS A 9 -3.887 3.197 15.587 1.00 1.00 C ATOM 124 C LYS A 9 -2.471 3.738 15.803 1.00 1.00 C ATOM 125 O LYS A 9 -2.259 4.613 16.641 1.00 1.00 O ATOM 126 CB LYS A 9 -4.480 2.517 16.823 1.00 1.00 C ATOM 127 CG LYS A 9 -5.968 2.222 16.624 1.00 1.00 C ATOM 128 CD LYS A 9 -6.788 2.709 17.820 1.00 1.00 C ATOM 129 CE LYS A 9 -8.130 1.979 17.899 1.00 1.00 C ATOM 130 NZ LYS A 9 -8.137 1.029 19.034 1.00 1.00 N ATOM 0 H LYS A 9 -3.960 1.299 14.703 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.530 4.054 15.384 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -3.945 1.589 17.024 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -4.346 3.157 17.695 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.320 2.709 15.715 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.115 1.150 16.490 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -6.227 2.547 18.740 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -6.958 3.782 17.736 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -8.937 2.702 18.017 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -8.315 1.444 16.968 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -9.055 0.542 19.073 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -7.379 0.329 18.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -7.982 1.548 19.922 1.00 1.00 H new ATOM 143 N ASN A 10 -1.541 3.194 15.033 1.00 1.00 N ATOM 144 CA ASN A 10 -0.152 3.611 15.129 1.00 1.00 C ATOM 145 C ASN A 10 0.106 4.744 14.134 1.00 1.00 C ATOM 146 O ASN A 10 1.226 5.242 14.032 1.00 1.00 O ATOM 147 CB ASN A 10 0.794 2.457 14.788 1.00 1.00 C ATOM 148 CG ASN A 10 0.236 1.124 15.290 1.00 1.00 C ATOM 149 OD1 ASN A 10 0.247 0.156 14.378 1.00 1.00 O flip ATOM 150 ND2 ASN A 10 -0.178 0.984 16.429 1.00 1.00 N flip ATOM 0 H ASN A 10 -1.722 2.468 14.340 1.00 1.00 H new ATOM 0 HA ASN A 10 0.032 3.938 16.152 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.942 2.410 13.709 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.771 2.638 15.236 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -0.158 1.770 17.079 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -0.545 0.081 16.731 1.00 1.00 H new ATOM 157 N GLY A 11 -0.949 5.118 13.425 1.00 1.00 N ATOM 158 CA GLY A 11 -0.851 6.183 12.442 1.00 1.00 C ATOM 159 C GLY A 11 -1.359 5.717 11.076 1.00 1.00 C ATOM 160 O GLY A 11 -0.727 4.888 10.424 1.00 1.00 O ATOM 0 H GLY A 11 -1.876 4.702 13.512 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.430 7.044 12.775 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.185 6.510 12.356 1.00 1.00 H new ATOM 164 N ASP A 12 -2.497 6.271 10.684 1.00 1.00 N ATOM 165 CA ASP A 12 -3.098 5.923 9.408 1.00 1.00 C ATOM 166 C ASP A 12 -2.007 5.856 8.337 1.00 1.00 C ATOM 167 O ASP A 12 -1.009 6.570 8.417 1.00 1.00 O ATOM 168 CB ASP A 12 -4.122 6.974 8.976 1.00 1.00 C ATOM 169 CG ASP A 12 -5.585 6.554 9.131 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.898 5.359 9.239 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.433 7.526 9.139 1.00 1.00 O ATOM 0 H ASP A 12 -3.019 6.958 11.228 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.597 4.960 9.521 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.957 7.881 9.557 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.941 7.228 7.931 1.00 1.00 H new ATOM 177 N VAL A 13 -2.235 4.993 7.358 1.00 1.00 N ATOM 178 CA VAL A 13 -1.285 4.824 6.272 1.00 1.00 C ATOM 179 C VAL A 13 -1.932 5.270 4.959 1.00 1.00 C ATOM 180 O VAL A 13 -2.411 4.441 4.187 1.00 1.00 O ATOM 181 CB VAL A 13 -0.786 3.378 6.232 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.223 3.177 5.100 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.189 2.967 7.579 1.00 1.00 C ATOM 0 H VAL A 13 -3.065 4.403 7.294 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.408 5.451 6.432 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.642 2.733 6.035 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.562 2.141 5.094 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.250 3.410 4.146 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.077 3.837 5.252 1.00 1.00 H new ATOM 0 HG21 VAL A 13 0.158 1.935 7.524 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.650 3.620 7.819 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -0.949 3.053 8.355 1.00 1.00 H new ATOM 193 N LYS A 14 -1.926 6.578 4.747 1.00 1.00 N ATOM 194 CA LYS A 14 -2.506 7.143 3.542 1.00 1.00 C ATOM 195 C LYS A 14 -1.831 6.524 2.316 1.00 1.00 C ATOM 196 O LYS A 14 -0.638 6.724 2.093 1.00 1.00 O ATOM 197 CB LYS A 14 -2.432 8.671 3.577 1.00 1.00 C ATOM 198 CG LYS A 14 -2.713 9.266 2.196 1.00 1.00 C ATOM 199 CD LYS A 14 -1.675 10.331 1.836 1.00 1.00 C ATOM 200 CE LYS A 14 -1.838 10.788 0.385 1.00 1.00 C ATOM 201 NZ LYS A 14 -0.969 11.953 0.107 1.00 1.00 N ATOM 0 H LYS A 14 -1.528 7.262 5.390 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.566 6.899 3.480 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.154 9.057 4.297 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.445 8.983 3.917 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.703 8.475 1.446 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.710 9.706 2.182 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -1.779 11.186 2.504 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.672 9.931 1.984 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -1.587 9.970 -0.290 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -2.879 11.050 0.195 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -1.092 12.250 -0.882 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -1.228 12.738 0.739 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.025 11.691 0.269 1.00 1.00 H new ATOM 214 N LEU A 15 -2.624 5.784 1.555 1.00 1.00 N ATOM 215 CA LEU A 15 -2.118 5.133 0.358 1.00 1.00 C ATOM 216 C LEU A 15 -2.650 5.862 -0.877 1.00 1.00 C ATOM 217 O LEU A 15 -3.812 5.738 -1.258 1.00 1.00 O ATOM 218 CB LEU A 15 -2.447 3.639 0.380 1.00 1.00 C ATOM 219 CG LEU A 15 -2.426 2.928 -0.974 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.029 2.388 -1.288 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.491 1.831 -1.034 1.00 1.00 C ATOM 0 H LEU A 15 -3.613 5.621 1.744 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.030 5.195 0.322 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.738 3.141 1.041 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.436 3.511 0.820 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.671 3.657 -1.746 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.042 1.887 -2.256 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.318 3.213 -1.316 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.731 1.678 -0.516 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.455 1.341 -2.007 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.302 1.097 -0.251 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.477 2.272 -0.887 1.00 1.00 H new ATOM 233 N PRO A 16 -1.760 6.636 -1.503 1.00 1.00 N ATOM 234 CA PRO A 16 -2.047 7.413 -2.689 1.00 1.00 C ATOM 235 C PRO A 16 -2.516 6.489 -3.803 1.00 1.00 C ATOM 236 O PRO A 16 -1.824 6.377 -4.814 1.00 1.00 O ATOM 237 CB PRO A 16 -0.720 8.078 -3.052 1.00 1.00 C ATOM 238 CG PRO A 16 0.106 8.042 -1.830 1.00 1.00 C ATOM 239 CD PRO A 16 -0.386 6.805 -1.082 1.00 1.00 C ATOM 0 HA PRO A 16 -2.835 8.150 -2.533 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.230 7.548 -3.869 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.877 9.104 -3.386 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.167 7.967 -2.068 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.024 8.946 -1.234 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.214 5.929 -1.330 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.318 6.943 -0.003 1.00 1.00 H new ATOM 247 N HIS A 17 -3.662 5.853 -3.605 1.00 1.00 N ATOM 248 CA HIS A 17 -4.198 4.947 -4.605 1.00 1.00 C ATOM 249 C HIS A 17 -4.018 5.554 -5.998 1.00 1.00 C ATOM 250 O HIS A 17 -3.447 4.922 -6.885 1.00 1.00 O ATOM 251 CB HIS A 17 -5.655 4.596 -4.295 1.00 1.00 C ATOM 252 CG HIS A 17 -6.186 3.423 -5.084 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.121 3.560 -6.094 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.901 2.091 -5.001 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.382 2.359 -6.589 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.625 1.450 -5.910 1.00 1.00 N ATOM 0 H HIS A 17 -4.234 5.948 -2.766 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.646 4.008 -4.582 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.747 4.376 -3.231 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.278 5.467 -4.495 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.539 4.437 -6.405 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.205 1.636 -4.312 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.073 2.139 -7.389 1.00 1.00 H new ATOM 264 N LYS A 18 -4.515 6.773 -6.145 1.00 1.00 N ATOM 265 CA LYS A 18 -4.415 7.473 -7.415 1.00 1.00 C ATOM 266 C LYS A 18 -2.955 7.486 -7.872 1.00 1.00 C ATOM 267 O LYS A 18 -2.643 7.036 -8.974 1.00 1.00 O ATOM 268 CB LYS A 18 -5.039 8.866 -7.309 1.00 1.00 C ATOM 269 CG LYS A 18 -5.080 9.554 -8.675 1.00 1.00 C ATOM 270 CD LYS A 18 -6.158 8.936 -9.567 1.00 1.00 C ATOM 271 CE LYS A 18 -7.465 9.726 -9.474 1.00 1.00 C ATOM 272 NZ LYS A 18 -8.564 8.857 -8.996 1.00 1.00 N ATOM 0 H LYS A 18 -4.988 7.294 -5.406 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.985 6.951 -8.184 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.049 8.786 -6.908 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.465 9.473 -6.609 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.277 10.618 -8.545 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -4.108 9.467 -9.160 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -5.813 8.917 -10.601 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -6.332 7.902 -9.270 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.339 10.570 -8.795 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -7.718 10.138 -10.451 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -9.251 8.712 -9.763 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -8.177 7.938 -8.700 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -9.038 9.309 -8.188 1.00 1.00 H new ATOM 285 N ALA A 19 -2.101 8.006 -7.004 1.00 1.00 N ATOM 286 CA ALA A 19 -0.682 8.083 -7.305 1.00 1.00 C ATOM 287 C ALA A 19 -0.165 6.688 -7.666 1.00 1.00 C ATOM 288 O ALA A 19 0.487 6.510 -8.693 1.00 1.00 O ATOM 289 CB ALA A 19 0.061 8.690 -6.113 1.00 1.00 C ATOM 0 H ALA A 19 -2.364 8.378 -6.092 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.506 8.732 -8.163 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.126 8.748 -6.339 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.323 9.691 -5.916 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.090 8.064 -5.233 1.00 1.00 H new ATOM 295 N HIS A 20 -0.475 5.735 -6.799 1.00 1.00 N ATOM 296 CA HIS A 20 -0.050 4.362 -7.013 1.00 1.00 C ATOM 297 C HIS A 20 -0.675 3.827 -8.303 1.00 1.00 C ATOM 298 O HIS A 20 -0.150 2.895 -8.911 1.00 1.00 O ATOM 299 CB HIS A 20 -0.374 3.497 -5.794 1.00 1.00 C ATOM 300 CG HIS A 20 0.637 3.605 -4.678 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.618 4.627 -3.745 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.696 2.808 -4.355 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.625 4.444 -2.904 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.293 3.317 -3.283 1.00 1.00 N ATOM 0 H HIS A 20 -1.015 5.887 -5.947 1.00 1.00 H new ATOM 0 HA HIS A 20 1.033 4.327 -7.133 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.354 3.780 -5.411 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.443 2.456 -6.108 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.057 5.391 -3.711 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.998 1.915 -4.882 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.874 5.077 -2.065 1.00 1.00 H new ATOM 312 N GLN A 21 -1.786 4.439 -8.683 1.00 1.00 N ATOM 313 CA GLN A 21 -2.488 4.036 -9.890 1.00 1.00 C ATOM 314 C GLN A 21 -1.807 4.631 -11.124 1.00 1.00 C ATOM 315 O GLN A 21 -2.158 4.294 -12.254 1.00 1.00 O ATOM 316 CB GLN A 21 -3.962 4.441 -9.828 1.00 1.00 C ATOM 317 CG GLN A 21 -4.766 3.458 -8.976 1.00 1.00 C ATOM 318 CD GLN A 21 -6.127 4.046 -8.597 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.230 5.039 -7.897 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.163 3.378 -9.099 1.00 1.00 N ATOM 0 H GLN A 21 -2.218 5.212 -8.176 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.447 2.949 -9.965 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.050 5.445 -9.412 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.376 4.477 -10.836 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.908 2.527 -9.525 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.207 3.213 -8.073 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.006 2.553 -9.678 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.114 3.691 -8.904 1.00 1.00 H new ATOM 329 N LYS A 22 -0.845 5.505 -10.866 1.00 1.00 N ATOM 330 CA LYS A 22 -0.112 6.149 -11.942 1.00 1.00 C ATOM 331 C LYS A 22 1.330 5.636 -11.950 1.00 1.00 C ATOM 332 O LYS A 22 1.909 5.419 -13.013 1.00 1.00 O ATOM 333 CB LYS A 22 -0.222 7.671 -11.829 1.00 1.00 C ATOM 334 CG LYS A 22 0.099 8.345 -13.164 1.00 1.00 C ATOM 335 CD LYS A 22 -1.183 8.725 -13.909 1.00 1.00 C ATOM 336 CE LYS A 22 -1.052 10.105 -14.557 1.00 1.00 C ATOM 337 NZ LYS A 22 -1.466 11.163 -13.609 1.00 1.00 N ATOM 0 H LYS A 22 -0.557 5.782 -9.928 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.548 5.891 -12.907 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.229 7.944 -11.513 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.462 8.033 -11.061 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.701 9.237 -12.990 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.696 7.673 -13.780 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -1.398 7.979 -14.674 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -2.025 8.723 -13.216 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.021 10.271 -14.869 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -1.668 10.152 -15.455 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.371 12.093 -14.064 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.457 11.012 -13.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -0.861 11.128 -12.764 1.00 1.00 H new ATOM 350 N ALA A 23 1.867 5.457 -10.752 1.00 1.00 N ATOM 351 CA ALA A 23 3.229 4.973 -10.608 1.00 1.00 C ATOM 352 C ALA A 23 3.287 3.497 -11.007 1.00 1.00 C ATOM 353 O ALA A 23 4.284 3.039 -11.563 1.00 1.00 O ATOM 354 CB ALA A 23 3.705 5.207 -9.173 1.00 1.00 C ATOM 0 H ALA A 23 1.383 5.638 -9.872 1.00 1.00 H new ATOM 0 HA ALA A 23 3.902 5.520 -11.269 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.727 4.844 -9.065 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.673 6.273 -8.948 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.054 4.671 -8.482 1.00 1.00 H new ATOM 360 N VAL A 24 2.205 2.793 -10.708 1.00 1.00 N ATOM 361 CA VAL A 24 2.119 1.378 -11.028 1.00 1.00 C ATOM 362 C VAL A 24 1.092 1.174 -12.143 1.00 1.00 C ATOM 363 O VAL A 24 -0.101 0.998 -11.906 1.00 1.00 O ATOM 364 CB VAL A 24 1.801 0.574 -9.767 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.429 -0.869 -10.115 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.970 0.616 -8.780 1.00 1.00 C ATOM 0 H VAL A 24 1.380 3.177 -10.247 1.00 1.00 H new ATOM 0 HA VAL A 24 3.077 1.011 -11.397 1.00 1.00 H new ATOM 0 HB VAL A 24 0.939 1.035 -9.285 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.208 -1.418 -9.200 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.552 -0.873 -10.762 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.262 -1.345 -10.631 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.718 0.036 -7.892 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.858 0.193 -9.249 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.168 1.649 -8.495 1.00 1.00 H new ATOM 376 N PRO A 25 1.589 1.201 -13.382 1.00 1.00 N ATOM 377 CA PRO A 25 0.800 1.029 -14.582 1.00 1.00 C ATOM 378 C PRO A 25 0.416 -0.436 -14.734 1.00 1.00 C ATOM 379 O PRO A 25 0.635 -0.999 -15.806 1.00 1.00 O ATOM 380 CB PRO A 25 1.715 1.476 -15.720 1.00 1.00 C ATOM 381 CG PRO A 25 3.076 1.256 -15.213 1.00 1.00 C ATOM 382 CD PRO A 25 2.987 1.406 -13.696 1.00 1.00 C ATOM 0 HA PRO A 25 -0.127 1.601 -14.566 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.532 0.898 -16.626 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.551 2.524 -15.972 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.439 0.266 -15.487 1.00 1.00 H new ATOM 0 HG3 PRO A 25 3.772 1.980 -15.637 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.617 0.675 -13.189 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.323 2.392 -13.376 1.00 1.00 H new ATOM 390 N ASP A 26 -0.137 -1.018 -13.680 1.00 1.00 N ATOM 391 CA ASP A 26 -0.539 -2.414 -13.720 1.00 1.00 C ATOM 392 C ASP A 26 -1.375 -2.735 -12.480 1.00 1.00 C ATOM 393 O ASP A 26 -0.835 -3.134 -11.449 1.00 1.00 O ATOM 394 CB ASP A 26 0.681 -3.338 -13.721 1.00 1.00 C ATOM 395 CG ASP A 26 1.922 -2.770 -14.411 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.729 -2.060 -13.792 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.048 -3.088 -15.655 1.00 1.00 O ATOM 0 H ASP A 26 -0.316 -0.548 -12.793 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.113 -2.574 -14.632 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.936 -3.579 -12.689 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.409 -4.274 -14.209 1.00 1.00 H new ATOM 403 N CYS A 27 -2.679 -2.550 -12.621 1.00 1.00 N ATOM 404 CA CYS A 27 -3.596 -2.815 -11.525 1.00 1.00 C ATOM 405 C CYS A 27 -3.748 -4.331 -11.382 1.00 1.00 C ATOM 406 O CYS A 27 -4.857 -4.857 -11.461 1.00 1.00 O ATOM 407 CB CYS A 27 -4.944 -2.124 -11.735 1.00 1.00 C ATOM 408 SG CYS A 27 -4.870 -0.577 -12.710 1.00 1.00 S ATOM 0 H CYS A 27 -3.123 -2.220 -13.478 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.191 -2.402 -10.601 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.619 -2.819 -12.234 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.378 -1.902 -10.760 1.00 1.00 H new ATOM 413 N LYS A 28 -2.617 -4.990 -11.174 1.00 1.00 N ATOM 414 CA LYS A 28 -2.611 -6.435 -11.020 1.00 1.00 C ATOM 415 C LYS A 28 -1.716 -6.813 -9.838 1.00 1.00 C ATOM 416 O LYS A 28 -2.173 -7.442 -8.885 1.00 1.00 O ATOM 417 CB LYS A 28 -2.215 -7.113 -12.333 1.00 1.00 C ATOM 418 CG LYS A 28 -2.583 -6.238 -13.534 1.00 1.00 C ATOM 419 CD LYS A 28 -2.779 -7.088 -14.791 1.00 1.00 C ATOM 420 CE LYS A 28 -4.045 -6.672 -15.542 1.00 1.00 C ATOM 421 NZ LYS A 28 -3.833 -6.760 -17.004 1.00 1.00 N ATOM 0 H LYS A 28 -1.699 -4.550 -11.109 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.613 -6.798 -10.791 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.143 -7.309 -12.336 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -2.716 -8.078 -12.414 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.497 -5.684 -13.319 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -1.798 -5.502 -13.707 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.913 -6.982 -15.444 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -2.844 -8.141 -14.516 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -4.876 -7.314 -15.250 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -4.319 -5.653 -15.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -4.702 -6.474 -17.499 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -3.054 -6.129 -17.280 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.594 -7.739 -17.262 1.00 1.00 H new ATOM 434 N LYS A 29 -0.456 -6.415 -9.940 1.00 1.00 N ATOM 435 CA LYS A 29 0.507 -6.704 -8.892 1.00 1.00 C ATOM 436 C LYS A 29 -0.069 -6.273 -7.542 1.00 1.00 C ATOM 437 O LYS A 29 0.335 -6.784 -6.498 1.00 1.00 O ATOM 438 CB LYS A 29 1.859 -6.065 -9.215 1.00 1.00 C ATOM 439 CG LYS A 29 2.367 -6.519 -10.585 1.00 1.00 C ATOM 440 CD LYS A 29 3.299 -7.724 -10.452 1.00 1.00 C ATOM 441 CE LYS A 29 4.558 -7.540 -11.302 1.00 1.00 C ATOM 442 NZ LYS A 29 5.611 -8.491 -10.882 1.00 1.00 N ATOM 0 H LYS A 29 -0.080 -5.895 -10.733 1.00 1.00 H new ATOM 0 HA LYS A 29 0.693 -7.776 -8.832 1.00 1.00 H new ATOM 0 HB2 LYS A 29 1.765 -4.979 -9.200 1.00 1.00 H new ATOM 0 HB3 LYS A 29 2.585 -6.333 -8.447 1.00 1.00 H new ATOM 0 HG2 LYS A 29 1.522 -6.777 -11.223 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.895 -5.699 -11.071 1.00 1.00 H new ATOM 0 HD2 LYS A 29 3.578 -7.859 -9.407 1.00 1.00 H new ATOM 0 HD3 LYS A 29 2.776 -8.629 -10.762 1.00 1.00 H new ATOM 0 HE2 LYS A 29 4.319 -7.694 -12.354 1.00 1.00 H new ATOM 0 HE3 LYS A 29 4.923 -6.518 -11.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.458 -8.352 -11.469 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.851 -8.325 -9.884 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.265 -9.465 -10.998 1.00 1.00 H new ATOM 455 N CYS A 30 -1.005 -5.337 -7.606 1.00 1.00 N ATOM 456 CA CYS A 30 -1.641 -4.831 -6.401 1.00 1.00 C ATOM 457 C CYS A 30 -3.021 -5.481 -6.278 1.00 1.00 C ATOM 458 O CYS A 30 -3.531 -5.659 -5.173 1.00 1.00 O ATOM 459 CB CYS A 30 -1.727 -3.304 -6.405 1.00 1.00 C ATOM 460 SG CYS A 30 -0.437 -2.601 -5.314 1.00 1.00 S ATOM 0 H CYS A 30 -1.338 -4.916 -8.473 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.038 -5.092 -5.531 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.601 -2.927 -7.420 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.713 -2.986 -6.067 1.00 1.00 H new ATOM 465 N HIS A 31 -3.586 -5.817 -7.428 1.00 1.00 N ATOM 466 CA HIS A 31 -4.897 -6.443 -7.463 1.00 1.00 C ATOM 467 C HIS A 31 -4.784 -7.836 -8.085 1.00 1.00 C ATOM 468 O HIS A 31 -4.576 -7.967 -9.290 1.00 1.00 O ATOM 469 CB HIS A 31 -5.906 -5.550 -8.188 1.00 1.00 C ATOM 470 CG HIS A 31 -6.342 -4.344 -7.391 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.140 -4.438 -6.265 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.083 -3.017 -7.570 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.346 -3.217 -5.795 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.691 -2.337 -6.605 1.00 1.00 N ATOM 0 H HIS A 31 -3.160 -5.668 -8.343 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.273 -6.566 -6.447 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.468 -5.213 -9.128 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.785 -6.143 -8.441 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.507 -5.301 -5.865 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.485 -2.591 -8.362 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.930 -2.963 -4.923 1.00 1.00 H new ATOM 482 N GLU A 32 -4.926 -8.842 -7.234 1.00 1.00 N ATOM 483 CA GLU A 32 -4.842 -10.221 -7.685 1.00 1.00 C ATOM 484 C GLU A 32 -6.075 -10.584 -8.515 1.00 1.00 C ATOM 485 O GLU A 32 -6.160 -10.236 -9.692 1.00 1.00 O ATOM 486 CB GLU A 32 -4.679 -11.176 -6.501 1.00 1.00 C ATOM 487 CG GLU A 32 -3.215 -11.260 -6.062 1.00 1.00 C ATOM 488 CD GLU A 32 -2.386 -12.061 -7.068 1.00 1.00 C ATOM 489 OE1 GLU A 32 -2.790 -12.202 -8.232 1.00 1.00 O ATOM 490 OE2 GLU A 32 -1.285 -12.547 -6.603 1.00 1.00 O ATOM 0 H GLU A 32 -5.099 -8.730 -6.235 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.959 -10.323 -8.317 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.293 -10.836 -5.667 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.037 -12.168 -6.777 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.803 -10.256 -5.964 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.153 -11.728 -5.079 1.00 1.00 H new ATOM 498 N LYS A 33 -7.001 -11.278 -7.869 1.00 1.00 N ATOM 499 CA LYS A 33 -8.225 -11.691 -8.533 1.00 1.00 C ATOM 500 C LYS A 33 -8.713 -10.562 -9.443 1.00 1.00 C ATOM 501 O LYS A 33 -9.349 -10.815 -10.466 1.00 1.00 O ATOM 502 CB LYS A 33 -9.264 -12.146 -7.507 1.00 1.00 C ATOM 503 CG LYS A 33 -8.903 -13.517 -6.931 1.00 1.00 C ATOM 504 CD LYS A 33 -8.252 -13.379 -5.553 1.00 1.00 C ATOM 505 CE LYS A 33 -9.155 -13.954 -4.460 1.00 1.00 C ATOM 506 NZ LYS A 33 -8.422 -14.048 -3.178 1.00 1.00 N ATOM 0 H LYS A 33 -6.928 -11.564 -6.893 1.00 1.00 H new ATOM 0 HA LYS A 33 -8.039 -12.556 -9.169 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.329 -11.415 -6.701 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.247 -12.192 -7.976 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.801 -14.130 -6.853 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.222 -14.032 -7.609 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -7.293 -13.896 -5.547 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -8.049 -12.328 -5.346 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -10.035 -13.322 -4.337 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -9.510 -14.941 -4.756 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -9.098 -14.193 -2.401 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -7.760 -14.849 -3.215 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -7.892 -13.168 -3.016 1.00 1.00 H new ATOM 519 N GLY A 34 -8.397 -9.341 -9.039 1.00 1.00 N ATOM 520 CA GLY A 34 -8.795 -8.172 -9.805 1.00 1.00 C ATOM 521 C GLY A 34 -8.975 -6.956 -8.895 1.00 1.00 C ATOM 522 O GLY A 34 -8.799 -7.017 -7.681 1.00 1.00 O ATOM 0 H GLY A 34 -7.870 -9.135 -8.191 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.042 -7.955 -10.563 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.727 -8.378 -10.332 1.00 1.00 H new ATOM 526 N PRO A 35 -9.336 -5.832 -9.520 1.00 1.00 N ATOM 527 CA PRO A 35 -9.563 -4.567 -8.857 1.00 1.00 C ATOM 528 C PRO A 35 -10.648 -4.730 -7.802 1.00 1.00 C ATOM 529 O PRO A 35 -11.770 -5.089 -8.155 1.00 1.00 O ATOM 530 CB PRO A 35 -10.016 -3.619 -9.966 1.00 1.00 C ATOM 531 CG PRO A 35 -9.422 -4.234 -11.254 1.00 1.00 C ATOM 532 CD PRO A 35 -9.552 -5.725 -10.947 1.00 1.00 C ATOM 0 HA PRO A 35 -8.677 -4.191 -8.346 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -11.103 -3.557 -10.018 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.647 -2.607 -9.801 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -9.980 -3.946 -12.145 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -8.387 -3.934 -11.415 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.536 -6.102 -11.227 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.818 -6.308 -11.503 1.00 1.00 H new ATOM 540 N GLY A 36 -10.302 -4.472 -6.549 1.00 1.00 N ATOM 541 CA GLY A 36 -11.262 -4.600 -5.466 1.00 1.00 C ATOM 542 C GLY A 36 -10.580 -5.073 -4.181 1.00 1.00 C ATOM 543 O GLY A 36 -9.396 -4.811 -3.970 1.00 1.00 O ATOM 0 H GLY A 36 -9.370 -4.175 -6.260 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.749 -3.640 -5.291 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.042 -5.306 -5.749 1.00 1.00 H new ATOM 547 N LYS A 37 -11.355 -5.761 -3.356 1.00 1.00 N ATOM 548 CA LYS A 37 -10.840 -6.273 -2.098 1.00 1.00 C ATOM 549 C LYS A 37 -9.719 -7.276 -2.380 1.00 1.00 C ATOM 550 O LYS A 37 -9.737 -7.961 -3.402 1.00 1.00 O ATOM 551 CB LYS A 37 -11.976 -6.845 -1.247 1.00 1.00 C ATOM 552 CG LYS A 37 -12.330 -8.266 -1.688 1.00 1.00 C ATOM 553 CD LYS A 37 -13.381 -8.882 -0.762 1.00 1.00 C ATOM 554 CE LYS A 37 -13.866 -10.228 -1.302 1.00 1.00 C ATOM 555 NZ LYS A 37 -14.539 -11.003 -0.235 1.00 1.00 N ATOM 0 H LYS A 37 -12.336 -5.976 -3.534 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.405 -5.466 -1.508 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.682 -6.849 -0.197 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -12.855 -6.205 -1.330 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.706 -8.250 -2.711 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.433 -8.885 -1.688 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -12.959 -9.016 0.234 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -14.226 -8.201 -0.661 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -14.554 -10.067 -2.132 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.021 -10.795 -1.694 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -14.862 -11.914 -0.619 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -13.872 -11.173 0.544 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.357 -10.467 0.120 1.00 1.00 H new ATOM 568 N ILE A 38 -8.771 -7.331 -1.457 1.00 1.00 N ATOM 569 CA ILE A 38 -7.644 -8.238 -1.594 1.00 1.00 C ATOM 570 C ILE A 38 -7.700 -9.285 -0.479 1.00 1.00 C ATOM 571 O ILE A 38 -7.898 -8.946 0.686 1.00 1.00 O ATOM 572 CB ILE A 38 -6.329 -7.457 -1.639 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.412 -6.301 -2.637 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.149 -8.385 -1.933 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.258 -5.317 -2.435 1.00 1.00 C ATOM 0 H ILE A 38 -8.760 -6.762 -0.611 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.700 -8.776 -2.541 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.157 -7.021 -0.655 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.387 -6.692 -3.654 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.363 -5.781 -2.518 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.227 -7.804 -1.959 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.078 -9.142 -1.152 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.300 -8.871 -2.897 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.341 -4.505 -3.158 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.300 -4.910 -1.425 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.309 -5.834 -2.579 1.00 1.00 H new ATOM 587 N GLU A 39 -7.521 -10.536 -0.877 1.00 1.00 N ATOM 588 CA GLU A 39 -7.548 -11.634 0.074 1.00 1.00 C ATOM 589 C GLU A 39 -6.130 -11.964 0.545 1.00 1.00 C ATOM 590 O GLU A 39 -5.265 -12.295 -0.264 1.00 1.00 O ATOM 591 CB GLU A 39 -8.225 -12.866 -0.531 1.00 1.00 C ATOM 592 CG GLU A 39 -9.004 -13.642 0.533 1.00 1.00 C ATOM 593 CD GLU A 39 -9.374 -15.039 0.033 1.00 1.00 C ATOM 594 OE1 GLU A 39 -8.496 -15.786 -0.426 1.00 1.00 O ATOM 595 OE2 GLU A 39 -10.623 -15.342 0.133 1.00 1.00 O ATOM 0 H GLU A 39 -7.357 -10.813 -1.845 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.134 -11.325 0.939 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -8.900 -12.559 -1.329 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -7.473 -13.514 -0.981 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -8.405 -13.724 1.440 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -9.909 -13.095 0.797 1.00 1.00 H new ATOM 603 N GLY A 40 -5.937 -11.863 1.852 1.00 1.00 N ATOM 604 CA GLY A 40 -4.639 -12.146 2.440 1.00 1.00 C ATOM 605 C GLY A 40 -4.033 -10.886 3.063 1.00 1.00 C ATOM 606 O GLY A 40 -3.488 -10.935 4.165 1.00 1.00 O ATOM 0 H GLY A 40 -6.658 -11.589 2.520 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.741 -12.919 3.201 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -3.967 -12.538 1.676 1.00 1.00 H new ATOM 610 N PHE A 41 -4.148 -9.788 2.331 1.00 1.00 N ATOM 611 CA PHE A 41 -3.619 -8.518 2.798 1.00 1.00 C ATOM 612 C PHE A 41 -4.445 -7.975 3.965 1.00 1.00 C ATOM 613 O PHE A 41 -5.616 -8.320 4.115 1.00 1.00 O ATOM 614 CB PHE A 41 -3.708 -7.538 1.626 1.00 1.00 C ATOM 615 CG PHE A 41 -3.060 -6.180 1.900 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.729 -5.240 2.620 1.00 1.00 C ATOM 617 CD2 PHE A 41 -1.814 -5.912 1.424 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.128 -3.979 2.874 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.213 -4.652 1.678 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.882 -3.711 2.398 1.00 1.00 C ATOM 0 H PHE A 41 -4.600 -9.752 1.417 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.593 -8.647 3.144 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.232 -7.987 0.754 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.757 -7.384 1.373 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.718 -5.453 2.999 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.282 -6.658 0.853 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.660 -3.233 3.445 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.224 -4.440 1.300 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.424 -2.752 2.591 1.00 1.00 H new ATOM 630 N GLY A 42 -3.803 -7.135 4.763 1.00 1.00 N ATOM 631 CA GLY A 42 -4.464 -6.541 5.912 1.00 1.00 C ATOM 632 C GLY A 42 -3.453 -5.849 6.829 1.00 1.00 C ATOM 633 O GLY A 42 -3.790 -4.885 7.515 1.00 1.00 O ATOM 0 H GLY A 42 -2.831 -6.852 4.636 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -5.208 -5.819 5.575 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.997 -7.312 6.468 1.00 1.00 H new ATOM 637 N LYS A 43 -2.234 -6.368 6.811 1.00 1.00 N ATOM 638 CA LYS A 43 -1.172 -5.812 7.633 1.00 1.00 C ATOM 639 C LYS A 43 0.163 -6.437 7.223 1.00 1.00 C ATOM 640 O LYS A 43 0.941 -5.826 6.492 1.00 1.00 O ATOM 641 CB LYS A 43 -1.500 -5.979 9.118 1.00 1.00 C ATOM 642 CG LYS A 43 -0.500 -5.217 9.989 1.00 1.00 C ATOM 643 CD LYS A 43 0.310 -6.177 10.863 1.00 1.00 C ATOM 644 CE LYS A 43 0.452 -5.636 12.286 1.00 1.00 C ATOM 645 NZ LYS A 43 -0.651 -6.128 13.141 1.00 1.00 N ATOM 0 H LYS A 43 -1.958 -7.167 6.240 1.00 1.00 H new ATOM 0 HA LYS A 43 -1.085 -4.738 7.469 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -2.509 -5.616 9.314 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -1.485 -7.037 9.381 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.174 -4.640 9.355 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -1.031 -4.505 10.621 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -0.178 -7.151 10.888 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.298 -6.326 10.427 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.410 -5.945 12.705 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.448 -4.546 12.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -0.539 -5.751 14.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -1.561 -5.812 12.749 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -0.629 -7.167 13.172 1.00 1.00 H new ATOM 658 N GLU A 44 0.388 -7.648 7.713 1.00 1.00 N ATOM 659 CA GLU A 44 1.616 -8.363 7.407 1.00 1.00 C ATOM 660 C GLU A 44 2.058 -8.069 5.972 1.00 1.00 C ATOM 661 O GLU A 44 3.202 -7.682 5.738 1.00 1.00 O ATOM 662 CB GLU A 44 1.445 -9.866 7.631 1.00 1.00 C ATOM 663 CG GLU A 44 2.444 -10.663 6.789 1.00 1.00 C ATOM 664 CD GLU A 44 3.877 -10.425 7.268 1.00 1.00 C ATOM 665 OE1 GLU A 44 4.369 -11.155 8.141 1.00 1.00 O ATOM 666 OE2 GLU A 44 4.486 -9.440 6.699 1.00 1.00 O ATOM 0 H GLU A 44 -0.259 -8.152 8.319 1.00 1.00 H new ATOM 0 HA GLU A 44 2.395 -8.014 8.085 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.587 -10.098 8.686 1.00 1.00 H new ATOM 0 HB3 GLU A 44 0.428 -10.162 7.373 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.209 -11.726 6.848 1.00 1.00 H new ATOM 0 HG3 GLU A 44 2.354 -10.374 5.742 1.00 1.00 H new ATOM 674 N MET A 45 1.128 -8.264 5.049 1.00 1.00 N ATOM 675 CA MET A 45 1.407 -8.024 3.643 1.00 1.00 C ATOM 676 C MET A 45 2.075 -6.662 3.441 1.00 1.00 C ATOM 677 O MET A 45 3.126 -6.570 2.809 1.00 1.00 O ATOM 678 CB MET A 45 0.102 -8.077 2.847 1.00 1.00 C ATOM 679 CG MET A 45 -0.273 -9.520 2.504 1.00 1.00 C ATOM 680 SD MET A 45 0.999 -10.258 1.493 1.00 1.00 S ATOM 681 CE MET A 45 0.161 -10.295 -0.082 1.00 1.00 C ATOM 0 H MET A 45 0.180 -8.585 5.247 1.00 1.00 H new ATOM 0 HA MET A 45 2.089 -8.797 3.290 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.699 -7.617 3.425 1.00 1.00 H new ATOM 0 HB3 MET A 45 0.207 -7.497 1.930 1.00 1.00 H new ATOM 0 HG2 MET A 45 -0.403 -10.098 3.419 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.226 -9.541 1.976 1.00 1.00 H new ATOM 0 HE1 MET A 45 0.742 -10.886 -0.790 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.825 -10.743 0.041 1.00 1.00 H new ATOM 0 HE3 MET A 45 0.053 -9.279 -0.461 1.00 1.00 H new ATOM 691 N ALA A 46 1.436 -5.639 3.990 1.00 1.00 N ATOM 692 CA ALA A 46 1.955 -4.286 3.877 1.00 1.00 C ATOM 693 C ALA A 46 3.401 -4.256 4.374 1.00 1.00 C ATOM 694 O ALA A 46 4.247 -3.576 3.795 1.00 1.00 O ATOM 695 CB ALA A 46 1.051 -3.327 4.655 1.00 1.00 C ATOM 0 H ALA A 46 0.564 -5.720 4.514 1.00 1.00 H new ATOM 0 HA ALA A 46 1.958 -3.961 2.837 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.439 -2.312 4.571 1.00 1.00 H new ATOM 0 HB2 ALA A 46 0.042 -3.365 4.245 1.00 1.00 H new ATOM 0 HB3 ALA A 46 1.027 -3.620 5.704 1.00 1.00 H new ATOM 701 N HIS A 47 3.642 -5.002 5.443 1.00 1.00 N ATOM 702 CA HIS A 47 4.972 -5.070 6.024 1.00 1.00 C ATOM 703 C HIS A 47 5.838 -6.036 5.214 1.00 1.00 C ATOM 704 O HIS A 47 6.952 -6.366 5.619 1.00 1.00 O ATOM 705 CB HIS A 47 4.898 -5.440 7.507 1.00 1.00 C ATOM 706 CG HIS A 47 4.098 -4.470 8.343 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.174 -4.881 9.288 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.092 -3.107 8.366 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.642 -3.805 9.849 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.212 -2.706 9.276 1.00 1.00 N ATOM 0 H HIS A 47 2.938 -5.564 5.922 1.00 1.00 H new ATOM 0 HA HIS A 47 5.444 -4.089 5.977 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.459 -6.433 7.602 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.910 -5.500 7.907 1.00 1.00 H new ATOM 0 HD1 HIS A 47 2.942 -5.848 9.514 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.700 -2.462 7.749 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.889 -3.799 10.624 1.00 1.00 H new ATOM 718 N GLY A 48 5.293 -6.464 4.084 1.00 1.00 N ATOM 719 CA GLY A 48 6.002 -7.386 3.214 1.00 1.00 C ATOM 720 C GLY A 48 5.480 -7.296 1.778 1.00 1.00 C ATOM 721 O GLY A 48 5.192 -6.207 1.286 1.00 1.00 O ATOM 0 H GLY A 48 4.369 -6.189 3.752 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.068 -7.161 3.232 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.885 -8.404 3.584 1.00 1.00 H new ATOM 725 N LYS A 49 5.374 -8.456 1.147 1.00 1.00 N ATOM 726 CA LYS A 49 4.891 -8.522 -0.222 1.00 1.00 C ATOM 727 C LYS A 49 3.470 -7.960 -0.285 1.00 1.00 C ATOM 728 O LYS A 49 2.499 -8.716 -0.280 1.00 1.00 O ATOM 729 CB LYS A 49 5.014 -9.948 -0.765 1.00 1.00 C ATOM 730 CG LYS A 49 3.953 -10.862 -0.149 1.00 1.00 C ATOM 731 CD LYS A 49 4.440 -12.312 -0.101 1.00 1.00 C ATOM 732 CE LYS A 49 3.525 -13.169 0.775 1.00 1.00 C ATOM 733 NZ LYS A 49 3.786 -14.608 0.546 1.00 1.00 N ATOM 0 H LYS A 49 5.614 -9.358 1.558 1.00 1.00 H new ATOM 0 HA LYS A 49 5.507 -7.903 -0.874 1.00 1.00 H new ATOM 0 HB2 LYS A 49 4.906 -9.939 -1.850 1.00 1.00 H new ATOM 0 HB3 LYS A 49 6.008 -10.340 -0.547 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.715 -10.521 0.858 1.00 1.00 H new ATOM 0 HG3 LYS A 49 3.034 -10.802 -0.732 1.00 1.00 H new ATOM 0 HD2 LYS A 49 4.472 -12.722 -1.110 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.457 -12.345 0.289 1.00 1.00 H new ATOM 0 HE2 LYS A 49 3.686 -12.927 1.825 1.00 1.00 H new ATOM 0 HE3 LYS A 49 2.482 -12.943 0.552 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 3.156 -15.175 1.149 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 3.609 -14.838 -0.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 4.776 -14.823 0.781 1.00 1.00 H new ATOM 746 N GLY A 50 3.392 -6.639 -0.342 1.00 1.00 N ATOM 747 CA GLY A 50 2.105 -5.967 -0.406 1.00 1.00 C ATOM 748 C GLY A 50 2.283 -4.456 -0.571 1.00 1.00 C ATOM 749 O GLY A 50 1.635 -3.840 -1.415 1.00 1.00 O ATOM 0 H GLY A 50 4.199 -6.015 -0.345 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.526 -6.362 -1.241 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.538 -6.173 0.502 1.00 1.00 H new ATOM 753 N CYS A 51 3.165 -3.904 0.250 1.00 1.00 N ATOM 754 CA CYS A 51 3.436 -2.477 0.206 1.00 1.00 C ATOM 755 C CYS A 51 4.949 -2.272 0.309 1.00 1.00 C ATOM 756 O CYS A 51 5.552 -1.630 -0.549 1.00 1.00 O ATOM 757 CB CYS A 51 2.682 -1.723 1.303 1.00 1.00 C ATOM 758 SG CYS A 51 0.890 -2.085 1.390 1.00 1.00 S ATOM 0 H CYS A 51 3.701 -4.419 0.949 1.00 1.00 H new ATOM 0 HA CYS A 51 3.078 -2.066 -0.738 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.134 -1.963 2.266 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.815 -0.653 1.146 1.00 1.00 H new ATOM 763 N LYS A 52 5.518 -2.830 1.367 1.00 1.00 N ATOM 764 CA LYS A 52 6.949 -2.717 1.594 1.00 1.00 C ATOM 765 C LYS A 52 7.696 -3.509 0.519 1.00 1.00 C ATOM 766 O LYS A 52 8.599 -2.983 -0.129 1.00 1.00 O ATOM 767 CB LYS A 52 7.300 -3.138 3.023 1.00 1.00 C ATOM 768 CG LYS A 52 8.012 -2.007 3.768 1.00 1.00 C ATOM 769 CD LYS A 52 9.527 -2.093 3.579 1.00 1.00 C ATOM 770 CE LYS A 52 10.165 -2.973 4.656 1.00 1.00 C ATOM 771 NZ LYS A 52 10.170 -4.390 4.232 1.00 1.00 N ATOM 0 H LYS A 52 5.014 -3.362 2.077 1.00 1.00 H new ATOM 0 HA LYS A 52 7.268 -1.678 1.505 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.392 -3.415 3.558 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.938 -4.021 2.999 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.651 -1.045 3.405 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.771 -2.058 4.830 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.752 -2.499 2.593 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.959 -1.093 3.618 1.00 1.00 H new ATOM 0 HE2 LYS A 52 11.185 -2.641 4.848 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.615 -2.869 5.591 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 10.958 -4.888 4.694 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 9.271 -4.837 4.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 10.285 -4.443 3.200 1.00 1.00 H new ATOM 784 N GLY A 53 7.291 -4.760 0.362 1.00 1.00 N ATOM 785 CA GLY A 53 7.910 -5.630 -0.623 1.00 1.00 C ATOM 786 C GLY A 53 8.273 -4.852 -1.890 1.00 1.00 C ATOM 787 O GLY A 53 9.384 -4.977 -2.403 1.00 1.00 O ATOM 0 H GLY A 53 6.541 -5.193 0.901 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.807 -6.083 -0.201 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.229 -6.444 -0.874 1.00 1.00 H new ATOM 791 N CYS A 54 7.315 -4.065 -2.357 1.00 1.00 N ATOM 792 CA CYS A 54 7.519 -3.267 -3.554 1.00 1.00 C ATOM 793 C CYS A 54 8.414 -2.079 -3.192 1.00 1.00 C ATOM 794 O CYS A 54 9.330 -1.738 -3.938 1.00 1.00 O ATOM 795 CB CYS A 54 6.192 -2.816 -4.167 1.00 1.00 C ATOM 796 SG CYS A 54 6.482 -2.081 -5.818 1.00 1.00 S ATOM 0 H CYS A 54 6.395 -3.963 -1.928 1.00 1.00 H new ATOM 0 HA CYS A 54 8.009 -3.871 -4.318 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.514 -3.665 -4.252 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.710 -2.087 -3.515 1.00 1.00 H new ATOM 801 N HIS A 55 8.116 -1.482 -2.048 1.00 1.00 N ATOM 802 CA HIS A 55 8.882 -0.340 -1.578 1.00 1.00 C ATOM 803 C HIS A 55 10.355 -0.731 -1.443 1.00 1.00 C ATOM 804 O HIS A 55 11.240 0.021 -1.850 1.00 1.00 O ATOM 805 CB HIS A 55 8.293 0.211 -0.278 1.00 1.00 C ATOM 806 CG HIS A 55 6.912 0.802 -0.432 1.00 1.00 C ATOM 807 ND1 HIS A 55 6.052 0.984 0.637 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.253 1.251 -1.538 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.927 1.518 0.182 1.00 1.00 C ATOM 810 NE2 HIS A 55 5.054 1.682 -1.166 1.00 1.00 N ATOM 0 H HIS A 55 7.355 -1.767 -1.432 1.00 1.00 H new ATOM 0 HA HIS A 55 8.822 0.468 -2.307 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.254 -0.591 0.460 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.962 0.975 0.117 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.250 0.748 1.609 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.641 1.255 -2.546 1.00 1.00 H new ATOM 0 HE1 HIS A 55 4.062 1.777 0.775 1.00 1.00 H new ATOM 818 N GLU A 56 10.573 -1.905 -0.870 1.00 1.00 N ATOM 819 CA GLU A 56 11.923 -2.405 -0.676 1.00 1.00 C ATOM 820 C GLU A 56 12.455 -3.015 -1.974 1.00 1.00 C ATOM 821 O GLU A 56 13.660 -3.001 -2.224 1.00 1.00 O ATOM 822 CB GLU A 56 11.974 -3.419 0.468 1.00 1.00 C ATOM 823 CG GLU A 56 10.789 -4.384 0.398 1.00 1.00 C ATOM 824 CD GLU A 56 11.229 -5.817 0.706 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.944 -6.432 -0.099 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.803 -6.289 1.828 1.00 1.00 O ATOM 0 H GLU A 56 9.836 -2.525 -0.533 1.00 1.00 H new ATOM 0 HA GLU A 56 12.564 -1.567 -0.402 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.908 -3.980 0.420 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.965 -2.895 1.424 1.00 1.00 H new ATOM 0 HG2 GLU A 56 10.022 -4.075 1.108 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.340 -4.343 -0.595 1.00 1.00 H new ATOM 834 N GLU A 57 11.531 -3.537 -2.767 1.00 1.00 N ATOM 835 CA GLU A 57 11.892 -4.151 -4.034 1.00 1.00 C ATOM 836 C GLU A 57 12.223 -3.076 -5.070 1.00 1.00 C ATOM 837 O GLU A 57 13.041 -3.299 -5.962 1.00 1.00 O ATOM 838 CB GLU A 57 10.775 -5.070 -4.535 1.00 1.00 C ATOM 839 CG GLU A 57 11.062 -5.554 -5.958 1.00 1.00 C ATOM 840 CD GLU A 57 9.785 -6.063 -6.631 1.00 1.00 C ATOM 841 OE1 GLU A 57 9.000 -6.790 -6.004 1.00 1.00 O ATOM 842 OE2 GLU A 57 9.621 -5.676 -7.851 1.00 1.00 O ATOM 0 H GLU A 57 10.533 -3.548 -2.557 1.00 1.00 H new ATOM 0 HA GLU A 57 12.780 -4.763 -3.879 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.677 -5.927 -3.868 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.824 -4.538 -4.513 1.00 1.00 H new ATOM 0 HG2 GLU A 57 11.487 -4.739 -6.545 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.806 -6.350 -5.932 1.00 1.00 H new ATOM 850 N MET A 58 11.572 -1.932 -4.918 1.00 1.00 N ATOM 851 CA MET A 58 11.788 -0.821 -5.830 1.00 1.00 C ATOM 852 C MET A 58 12.717 0.225 -5.209 1.00 1.00 C ATOM 853 O MET A 58 13.599 0.755 -5.883 1.00 1.00 O ATOM 854 CB MET A 58 10.445 -0.173 -6.172 1.00 1.00 C ATOM 855 CG MET A 58 9.518 -1.169 -6.872 1.00 1.00 C ATOM 856 SD MET A 58 8.321 -0.294 -7.866 1.00 1.00 S ATOM 857 CE MET A 58 8.551 -1.124 -9.430 1.00 1.00 C ATOM 0 H MET A 58 10.895 -1.750 -4.177 1.00 1.00 H new ATOM 0 HA MET A 58 12.257 -1.204 -6.736 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.971 0.192 -5.261 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.608 0.692 -6.815 1.00 1.00 H new ATOM 0 HG2 MET A 58 10.102 -1.842 -7.500 1.00 1.00 H new ATOM 0 HG3 MET A 58 9.008 -1.785 -6.132 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.875 -0.698 -10.171 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.581 -0.995 -9.762 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.337 -2.186 -9.313 1.00 1.00 H new ATOM 867 N LYS A 59 12.486 0.491 -3.932 1.00 1.00 N ATOM 868 CA LYS A 59 13.291 1.464 -3.213 1.00 1.00 C ATOM 869 C LYS A 59 12.843 2.875 -3.600 1.00 1.00 C ATOM 870 O LYS A 59 13.671 3.729 -3.914 1.00 1.00 O ATOM 871 CB LYS A 59 14.780 1.206 -3.448 1.00 1.00 C ATOM 872 CG LYS A 59 15.117 -0.275 -3.257 1.00 1.00 C ATOM 873 CD LYS A 59 15.511 -0.566 -1.808 1.00 1.00 C ATOM 874 CE LYS A 59 17.002 -0.307 -1.583 1.00 1.00 C ATOM 875 NZ LYS A 59 17.621 -1.438 -0.856 1.00 1.00 N ATOM 0 H LYS A 59 11.753 0.050 -3.377 1.00 1.00 H new ATOM 0 HA LYS A 59 13.140 1.364 -2.138 1.00 1.00 H new ATOM 0 HB2 LYS A 59 15.052 1.517 -4.457 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.371 1.809 -2.758 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.257 -0.886 -3.533 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.934 -0.554 -3.923 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.924 0.059 -1.135 1.00 1.00 H new ATOM 0 HD3 LYS A 59 15.278 -1.603 -1.565 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.501 -0.166 -2.542 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.136 0.614 -1.016 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.633 -1.246 -0.712 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 17.156 -1.554 0.067 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 17.510 -2.310 -1.412 1.00 1.00 H new ATOM 888 N LYS A 60 11.534 3.077 -3.565 1.00 1.00 N ATOM 889 CA LYS A 60 10.967 4.369 -3.908 1.00 1.00 C ATOM 890 C LYS A 60 9.955 4.778 -2.836 1.00 1.00 C ATOM 891 O LYS A 60 9.950 5.923 -2.386 1.00 1.00 O ATOM 892 CB LYS A 60 10.385 4.341 -5.323 1.00 1.00 C ATOM 893 CG LYS A 60 11.442 4.731 -6.358 1.00 1.00 C ATOM 894 CD LYS A 60 11.708 6.237 -6.329 1.00 1.00 C ATOM 895 CE LYS A 60 13.045 6.570 -6.995 1.00 1.00 C ATOM 896 NZ LYS A 60 12.825 7.120 -8.352 1.00 1.00 N ATOM 0 H LYS A 60 10.850 2.367 -3.304 1.00 1.00 H new ATOM 0 HA LYS A 60 11.744 5.133 -3.923 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.005 3.344 -5.544 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.539 5.026 -5.386 1.00 1.00 H new ATOM 0 HG2 LYS A 60 12.368 4.191 -6.159 1.00 1.00 H new ATOM 0 HG3 LYS A 60 11.108 4.436 -7.353 1.00 1.00 H new ATOM 0 HD2 LYS A 60 10.902 6.762 -6.841 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.714 6.589 -5.298 1.00 1.00 H new ATOM 0 HE2 LYS A 60 13.591 7.292 -6.388 1.00 1.00 H new ATOM 0 HE3 LYS A 60 13.662 5.673 -7.055 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 13.742 7.341 -8.790 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 12.323 6.419 -8.934 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 12.255 7.987 -8.287 1.00 1.00 H new ATOM 909 N GLY A 61 9.122 3.820 -2.457 1.00 1.00 N ATOM 910 CA GLY A 61 8.108 4.066 -1.446 1.00 1.00 C ATOM 911 C GLY A 61 8.724 4.086 -0.045 1.00 1.00 C ATOM 912 O GLY A 61 9.936 3.989 0.136 1.00 1.00 O ATOM 0 H GLY A 61 9.129 2.872 -2.832 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.615 5.018 -1.644 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.341 3.293 -1.499 1.00 1.00 H new ATOM 916 N PRO A 62 7.849 4.217 0.954 1.00 1.00 N ATOM 917 CA PRO A 62 8.210 4.258 2.355 1.00 1.00 C ATOM 918 C PRO A 62 8.557 2.855 2.834 1.00 1.00 C ATOM 919 O PRO A 62 7.786 1.932 2.576 1.00 1.00 O ATOM 920 CB PRO A 62 6.965 4.786 3.065 1.00 1.00 C ATOM 921 CG PRO A 62 5.829 4.128 2.170 1.00 1.00 C ATOM 922 CD PRO A 62 6.418 4.334 0.776 1.00 1.00 C ATOM 0 HA PRO A 62 9.079 4.886 2.551 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.912 4.465 4.105 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.916 5.875 3.064 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.676 3.074 2.404 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.866 4.625 2.291 1.00 1.00 H new ATOM 0 HD2 PRO A 62 6.045 3.587 0.075 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.149 5.311 0.374 1.00 1.00 H new ATOM 930 N THR A 63 9.690 2.722 3.508 1.00 1.00 N ATOM 931 CA THR A 63 10.114 1.425 4.008 1.00 1.00 C ATOM 932 C THR A 63 10.504 1.524 5.484 1.00 1.00 C ATOM 933 O THR A 63 11.255 0.691 5.989 1.00 1.00 O ATOM 934 CB THR A 63 11.248 0.921 3.113 1.00 1.00 C ATOM 935 OG1 THR A 63 11.919 2.109 2.701 1.00 1.00 O ATOM 936 CG2 THR A 63 10.736 0.311 1.807 1.00 1.00 C ATOM 0 H THR A 63 10.327 3.490 3.719 1.00 1.00 H new ATOM 0 HA THR A 63 9.301 0.700 3.967 1.00 1.00 H new ATOM 0 HB THR A 63 11.835 0.179 3.654 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.671 1.875 2.118 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.581 -0.031 1.209 1.00 1.00 H new ATOM 0 HG22 THR A 63 10.085 -0.534 2.031 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.177 1.062 1.249 1.00 1.00 H new ATOM 944 N LYS A 64 9.976 2.551 6.135 1.00 1.00 N ATOM 945 CA LYS A 64 10.259 2.770 7.543 1.00 1.00 C ATOM 946 C LYS A 64 8.944 2.967 8.299 1.00 1.00 C ATOM 947 O LYS A 64 7.955 3.420 7.723 1.00 1.00 O ATOM 948 CB LYS A 64 11.248 3.924 7.717 1.00 1.00 C ATOM 949 CG LYS A 64 12.474 3.480 8.518 1.00 1.00 C ATOM 950 CD LYS A 64 13.254 2.397 7.770 1.00 1.00 C ATOM 951 CE LYS A 64 14.632 2.181 8.399 1.00 1.00 C ATOM 952 NZ LYS A 64 15.697 2.346 7.385 1.00 1.00 N ATOM 0 H LYS A 64 9.354 3.240 5.713 1.00 1.00 H new ATOM 0 HA LYS A 64 10.746 1.895 7.974 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.561 4.290 6.739 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.758 4.754 8.226 1.00 1.00 H new ATOM 0 HG2 LYS A 64 13.121 4.337 8.704 1.00 1.00 H new ATOM 0 HG3 LYS A 64 12.160 3.101 9.491 1.00 1.00 H new ATOM 0 HD2 LYS A 64 12.693 1.463 7.786 1.00 1.00 H new ATOM 0 HD3 LYS A 64 13.368 2.683 6.724 1.00 1.00 H new ATOM 0 HE2 LYS A 64 14.783 2.892 9.212 1.00 1.00 H new ATOM 0 HE3 LYS A 64 14.687 1.183 8.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 16.625 2.196 7.829 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 15.561 1.651 6.623 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 15.654 3.307 6.989 1.00 1.00 H new ATOM 965 N CYS A 65 8.974 2.618 9.576 1.00 1.00 N ATOM 966 CA CYS A 65 7.796 2.752 10.417 1.00 1.00 C ATOM 967 C CYS A 65 7.351 4.215 10.391 1.00 1.00 C ATOM 968 O CYS A 65 6.157 4.503 10.322 1.00 1.00 O ATOM 969 CB CYS A 65 8.059 2.260 11.842 1.00 1.00 C ATOM 970 SG CYS A 65 9.155 0.799 11.960 1.00 1.00 S ATOM 0 H CYS A 65 9.796 2.242 10.050 1.00 1.00 H new ATOM 0 HA CYS A 65 6.995 2.123 10.028 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.500 3.074 12.417 1.00 1.00 H new ATOM 0 HB3 CYS A 65 7.105 2.019 12.310 1.00 1.00 H new ATOM 975 N GLY A 66 8.334 5.101 10.447 1.00 1.00 N ATOM 976 CA GLY A 66 8.059 6.527 10.431 1.00 1.00 C ATOM 977 C GLY A 66 7.967 7.052 8.997 1.00 1.00 C ATOM 978 O GLY A 66 8.011 8.260 8.770 1.00 1.00 O ATOM 0 H GLY A 66 9.323 4.858 10.504 1.00 1.00 H new ATOM 0 HA2 GLY A 66 7.125 6.727 10.956 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.845 7.059 10.967 1.00 1.00 H new ATOM 982 N GLU A 67 7.841 6.118 8.066 1.00 1.00 N ATOM 983 CA GLU A 67 7.743 6.471 6.660 1.00 1.00 C ATOM 984 C GLU A 67 6.374 6.071 6.106 1.00 1.00 C ATOM 985 O GLU A 67 6.068 6.338 4.945 1.00 1.00 O ATOM 986 CB GLU A 67 8.871 5.824 5.852 1.00 1.00 C ATOM 987 CG GLU A 67 9.732 6.886 5.165 1.00 1.00 C ATOM 988 CD GLU A 67 10.414 6.318 3.920 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.225 6.846 2.814 1.00 1.00 O ATOM 990 OE2 GLU A 67 11.165 5.290 4.130 1.00 1.00 O ATOM 0 H GLU A 67 7.805 5.117 8.258 1.00 1.00 H new ATOM 0 HA GLU A 67 7.849 7.552 6.569 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.493 5.217 6.510 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.449 5.153 5.104 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.112 7.738 4.887 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.486 7.254 5.861 1.00 1.00 H new ATOM 998 N CYS A 68 5.587 5.438 6.963 1.00 1.00 N ATOM 999 CA CYS A 68 4.257 4.999 6.575 1.00 1.00 C ATOM 1000 C CYS A 68 3.264 5.478 7.635 1.00 1.00 C ATOM 1001 O CYS A 68 2.342 6.234 7.331 1.00 1.00 O ATOM 1002 CB CYS A 68 4.197 3.482 6.380 1.00 1.00 C ATOM 1003 SG CYS A 68 4.029 3.086 4.601 1.00 1.00 S ATOM 0 H CYS A 68 5.845 5.218 7.925 1.00 1.00 H new ATOM 0 HA CYS A 68 3.995 5.434 5.611 1.00 1.00 H new ATOM 0 HB2 CYS A 68 5.099 3.020 6.780 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.354 3.069 6.934 1.00 1.00 H new ATOM 1008 N HIS A 69 3.485 5.019 8.858 1.00 1.00 N ATOM 1009 CA HIS A 69 2.621 5.391 9.965 1.00 1.00 C ATOM 1010 C HIS A 69 2.900 6.840 10.369 1.00 1.00 C ATOM 1011 O HIS A 69 3.893 7.122 11.037 1.00 1.00 O ATOM 1012 CB HIS A 69 2.777 4.411 11.129 1.00 1.00 C ATOM 1013 CG HIS A 69 2.387 2.991 10.794 1.00 1.00 C ATOM 1014 ND1 HIS A 69 1.070 2.586 10.668 1.00 1.00 N ATOM 1015 CD2 HIS A 69 3.154 1.888 10.558 1.00 1.00 C ATOM 1016 CE1 HIS A 69 1.056 1.294 10.371 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.349 0.864 10.304 1.00 1.00 N ATOM 0 H HIS A 69 4.250 4.392 9.107 1.00 1.00 H new ATOM 0 HA HIS A 69 1.578 5.331 9.653 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.814 4.423 11.463 1.00 1.00 H new ATOM 0 HB3 HIS A 69 2.169 4.756 11.965 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.249 3.180 10.784 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.233 1.854 10.575 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.176 0.689 10.210 1.00 1.00 H new ATOM 1025 N LYS A 70 2.005 7.721 9.945 1.00 1.00 N ATOM 1026 CA LYS A 70 2.142 9.134 10.254 1.00 1.00 C ATOM 1027 C LYS A 70 0.755 9.778 10.306 1.00 1.00 C ATOM 1028 O LYS A 70 0.075 9.879 9.286 1.00 1.00 O ATOM 1029 CB LYS A 70 3.096 9.809 9.266 1.00 1.00 C ATOM 1030 CG LYS A 70 3.301 11.283 9.621 1.00 1.00 C ATOM 1031 CD LYS A 70 4.191 11.430 10.857 1.00 1.00 C ATOM 1032 CE LYS A 70 5.609 11.850 10.465 1.00 1.00 C ATOM 1033 NZ LYS A 70 6.180 12.761 11.482 1.00 1.00 N ATOM 0 H LYS A 70 1.183 7.483 9.390 1.00 1.00 H new ATOM 0 HA LYS A 70 2.592 9.266 11.238 1.00 1.00 H new ATOM 0 HB2 LYS A 70 4.056 9.293 9.272 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.696 9.727 8.255 1.00 1.00 H new ATOM 0 HG2 LYS A 70 3.754 11.804 8.778 1.00 1.00 H new ATOM 0 HG3 LYS A 70 2.336 11.754 9.805 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.762 12.170 11.532 1.00 1.00 H new ATOM 0 HD3 LYS A 70 4.225 10.485 11.400 1.00 1.00 H new ATOM 0 HE2 LYS A 70 6.241 10.968 10.363 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.593 12.344 9.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 7.143 13.036 11.200 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 5.586 13.611 11.560 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 6.214 12.277 12.402 1.00 1.00 H new ATOM 1046 N LYS A 71 0.377 10.196 11.505 1.00 1.00 N ATOM 1047 CA LYS A 71 -0.918 10.826 11.704 1.00 1.00 C ATOM 1048 C LYS A 71 -0.998 12.095 10.852 1.00 1.00 C ATOM 1049 O LYS A 71 -1.594 12.088 9.777 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.173 11.068 13.193 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.227 12.158 13.399 1.00 1.00 C ATOM 1052 CD LYS A 71 -3.225 11.757 14.487 1.00 1.00 C ATOM 1053 CE LYS A 71 -4.569 11.353 13.876 1.00 1.00 C ATOM 1054 NZ LYS A 71 -4.873 9.938 14.183 1.00 1.00 N ATOM 0 H LYS A 71 0.944 10.111 12.348 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.719 10.166 11.371 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -1.505 10.143 13.664 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.243 11.359 13.682 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -1.739 13.093 13.675 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.756 12.338 12.463 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -2.821 10.928 15.068 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -3.370 12.588 15.177 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -5.360 11.994 14.266 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -4.543 11.500 12.796 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.788 9.680 13.761 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -4.127 9.329 13.790 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -4.918 9.808 15.214 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.975 -0.922 -3.767 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.236 -0.098 -8.560 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.378 0.165 -8.794 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.110 -0.981 -4.007 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.452 -0.772 -5.065 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.832 -0.949 -5.448 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.908 -0.722 -6.776 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.575 -0.401 -7.229 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.123 -0.780 -7.656 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.943 -1.319 -4.509 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.630 -0.122 -3.857 1.00 1.00 C HETATM 1079 CGA HEM A 101 -14.060 -0.459 -3.460 1.00 1.00 C HETATM 1080 O1A HEM A 101 -14.939 0.386 -3.734 1.00 1.00 O HETATM 1081 O2A HEM A 101 -14.247 -1.556 -2.890 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.936 0.075 -9.023 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.598 0.435 -10.380 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.252 0.509 -10.448 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.743 0.195 -9.134 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.593 0.674 -11.478 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.404 0.849 -11.639 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.909 2.046 -12.439 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.857 -0.178 -7.472 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.463 -0.367 -7.148 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.399 -0.683 -5.837 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.754 -0.693 -5.337 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.329 -0.227 -8.121 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.178 -0.976 -5.016 1.00 1.00 C HETATM 1095 CBC HEM A 101 -0.030 0.004 -5.238 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.418 -1.044 -3.537 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.775 -1.305 -2.162 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.123 -1.289 -2.092 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.614 -1.019 -3.423 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.795 -1.543 -1.051 1.00 1.00 C HETATM 1101 CAD HEM A 101 -7.988 -1.506 -0.885 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.626 -2.748 -0.077 1.00 1.00 C HETATM 1103 CGD HEM A 101 -6.870 -2.376 1.191 1.00 1.00 C HETATM 1104 O1D HEM A 101 -7.510 -1.764 2.073 1.00 1.00 O HETATM 1105 O2D HEM A 101 -5.668 -2.710 1.253 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.687 -0.434 -6.168 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.787 -0.071 -8.265 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.643 -0.381 -6.351 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.557 -0.870 -4.304 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.524 -0.494 -6.304 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -12.007 -0.079 -8.483 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -13.006 -0.513 -7.075 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.239 -1.790 -8.050 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.479 0.063 -11.306 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.148 0.406 -12.436 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.875 1.727 -11.491 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.673 -0.491 -9.121 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.515 -0.891 -7.830 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.974 0.804 -8.120 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.220 -1.194 -0.110 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.873 -0.999 -1.256 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.579 -2.609 -0.979 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.367 2.378 -13.324 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.812 2.569 -12.125 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.904 -0.118 -4.690 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.144 0.826 -5.944 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -12.630 0.721 -4.548 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.068 0.188 -2.976 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.544 -1.966 -3.728 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.687 -1.899 -5.054 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -7.016 -3.416 -0.685 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.533 -3.293 0.184 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.027 -1.583 -1.205 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.918 -0.631 -0.238 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.700 -0.967 -2.968 1.00 1.00 H new HETATM 0 HHB HEM A 101 -10.041 0.008 -9.272 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.664 0.413 -9.565 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.313 -1.166 -3.302 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.507 0.291 -11.908 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.117 -1.815 -4.322 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.333 5.527 -2.503 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.152 3.586 0.634 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.957 -0.468 -2.058 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.297 1.426 -5.130 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.450 5.355 -1.442 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.123 6.384 -0.483 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.241 5.849 0.388 1.00 1.00 C HETATM 1118 C4A HEM A 102 3.014 4.484 -0.023 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.595 6.509 1.571 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.684 7.776 -0.492 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.732 8.417 -1.876 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.909 9.696 -1.917 1.00 1.00 C HETATM 1123 O1A HEM A 102 4.257 10.619 -1.148 1.00 1.00 O HETATM 1124 O2A HEM A 102 2.948 9.728 -2.715 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.825 2.319 0.162 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.891 1.428 0.810 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.835 0.303 0.066 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.733 0.486 -1.049 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.145 1.738 2.075 1.00 1.00 C HETATM 1130 CAB HEM A 102 0.011 -0.927 0.312 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.401 -0.639 0.816 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.882 -0.325 -3.176 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.217 -1.342 -4.145 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.142 -0.812 -4.973 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.390 0.538 -4.524 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.620 -2.719 -4.186 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.813 -1.464 -6.147 1.00 1.00 C HETATM 1138 CBC HEM A 102 4.067 -2.678 -6.693 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.519 2.734 -4.713 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.231 3.723 -5.486 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.243 4.861 -4.760 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.538 4.588 -3.530 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.831 3.485 -6.841 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.859 6.182 -5.122 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.489 6.677 -6.517 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.514 6.228 -7.548 1.00 1.00 C HETATM 1147 O1D HEM A 102 7.075 5.688 -8.587 1.00 1.00 O HETATM 1148 O2D HEM A 102 8.717 6.432 -7.279 1.00 1.00 O HETATM 1149 NA HEM A 102 3.762 4.190 -1.150 1.00 1.00 N HETATM 1150 NB HEM A 102 2.337 1.730 -0.981 1.00 1.00 N HETATM 1151 NC HEM A 102 3.610 0.827 -3.418 1.00 1.00 N HETATM 1152 ND HEM A 102 5.097 3.276 -3.511 1.00 1.00 N HETATM 1153 FE HEM A 102 3.823 2.500 -2.316 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.265 7.268 1.975 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.389 5.761 2.337 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.661 6.978 1.261 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.813 1.217 2.070 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.027 2.812 2.142 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.732 1.410 2.933 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.600 -3.077 -5.216 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.604 -2.687 -3.794 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.222 -3.395 -3.579 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.130 2.440 -6.928 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.704 4.124 -6.970 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 6.095 3.717 -7.611 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.083 -1.463 1.026 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.727 0.390 0.965 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.468 -3.226 -7.546 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 3.133 -2.997 -6.230 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.355 7.714 -2.619 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.766 8.638 -2.142 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.692 7.753 -0.078 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.083 8.403 0.167 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.424 7.765 -6.515 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.504 6.299 -6.791 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.943 6.097 -5.054 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.551 6.928 -4.389 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.900 6.445 -2.541 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.714 3.903 1.569 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.394 -1.388 -1.999 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.860 1.067 -5.979 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.387 -1.936 0.146 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.750 -1.102 -6.572 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.398 -1.956 10.539 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.730 -1.592 13.098 1.00 1.00 C HETATM 1156 CHC HEM A 103 6.104 -0.122 9.108 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.818 -0.034 6.650 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.526 -1.968 11.578 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.206 -2.307 12.945 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.348 -2.207 13.657 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.387 -1.805 12.739 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.547 -2.457 15.124 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.159 -2.694 13.436 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.101 -1.512 13.648 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.444 -1.342 15.121 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.082 -0.279 15.669 1.00 1.00 O HETATM 1167 O2A HEM A 103 -3.061 -2.279 15.672 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.737 -1.232 12.208 1.00 1.00 C HETATM 1169 C2B HEM A 103 6.145 -1.242 12.528 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.806 -0.835 11.424 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.814 -0.569 10.409 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.721 -1.640 13.856 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.287 -0.675 11.240 1.00 1.00 C HETATM 1174 CBB HEM A 103 9.097 -1.911 11.621 1.00 1.00 C HETATM 1175 C1C HEM A 103 5.114 0.050 8.007 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.344 0.686 6.732 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.157 0.726 6.089 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.182 0.116 6.961 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.673 1.192 6.251 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.862 1.288 4.729 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.767 0.749 3.625 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.882 -0.643 7.480 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.419 -1.091 7.044 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.036 -1.625 8.120 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.123 -1.512 9.232 1.00 1.00 C HETATM 1186 CMD HEM A 103 -0.946 -0.967 5.644 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.408 -2.231 8.193 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.496 -1.384 7.540 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.078 -2.085 6.320 1.00 1.00 C HETATM 1190 O1D HEM A 103 -3.266 -2.554 5.494 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.324 -2.137 6.237 1.00 1.00 O HETATM 1192 NA HEM A 103 1.870 -1.660 11.463 1.00 1.00 N HETATM 1193 NB HEM A 103 4.544 -0.816 10.902 1.00 1.00 N HETATM 1194 NC HEM A 103 3.781 -0.297 8.138 1.00 1.00 N HETATM 1195 ND HEM A 103 1.054 -0.906 8.828 1.00 1.00 N HETATM 1196 FE HEM A 103 2.877 -0.822 9.806 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.628 -2.223 15.661 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.354 -1.825 15.494 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.804 -3.504 15.283 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 6.008 -1.407 14.647 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.647 -1.092 14.030 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.927 -2.710 13.857 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.274 1.504 7.105 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.520 2.042 5.586 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.191 0.398 5.713 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.637 -1.785 5.441 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.117 -1.009 4.938 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.468 -0.016 5.535 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 10.183 -1.902 11.525 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.590 -2.803 11.989 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.638 1.092 2.598 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.543 0.021 3.863 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.015 -1.664 13.074 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.636 -0.601 13.272 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.056 -3.236 14.376 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.610 -3.381 12.720 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.083 -0.419 7.246 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.288 -1.185 8.261 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.667 -2.393 9.239 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.388 -3.210 7.714 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.396 -2.312 10.749 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.998 -1.717 14.137 1.00 1.00 H new HETATM 0 HHC HEM A 103 7.134 0.118 8.887 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.474 0.350 5.701 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.743 0.242 10.867 1.00 1.00 H new HETATM 0 HAC HEM A 103 3.072 2.016 4.546 1.00 1.00 H new