USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=11 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 : amide:sc= -4.03! C(o=-4.1!,f=-8.5!) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -0.0616 (180deg=-0.0611) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (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+ 164:sc= 0.00221 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.103) USER MOD Single : A 21 GLN : amide:sc= -2.22! C(o=-2.2!,f=-6.6!) 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+ -133:sc= -0.598 (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 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -172:sc= -1.33 (180deg=-1.44) 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+ -171:sc= 0.289 (180deg=0.254) 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 150:sc= -1.01 (180deg=-1.01) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.65 (180deg=-4.72!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -2.16 (180deg=-3.41!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -4.71! (180deg=-4.71!) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.31 (180deg=-0.31) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -5.09! (180deg=-5.09!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -9.2! (180deg=-9.2!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -0.845 (180deg=-3.57!) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.207 (180deg=-1.4) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -3.44! (180deg=-5.29!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -8.32! (180deg=-8.32!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.140 11.194 -3.587 1.00 1.00 N ATOM 2 CA ALA A 1 -10.732 11.212 -3.231 1.00 1.00 C ATOM 3 C ALA A 1 -10.180 9.785 -3.278 1.00 1.00 C ATOM 4 O ALA A 1 -10.543 8.948 -2.453 1.00 1.00 O ATOM 5 CB ALA A 1 -10.561 11.857 -1.855 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.518 12.162 -3.556 1.00 1.00 H new ATOM 0 H2 ALA A 1 -12.250 10.810 -4.547 1.00 1.00 H new ATOM 0 H3 ALA A 1 -12.661 10.597 -2.913 1.00 1.00 H new ATOM 0 HA ALA A 1 -10.164 11.810 -3.944 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.504 11.870 -1.588 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.941 12.878 -1.882 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.115 11.283 -1.113 1.00 1.00 H new ATOM 11 N ASP A 2 -9.313 9.552 -4.252 1.00 1.00 N ATOM 12 CA ASP A 2 -8.708 8.242 -4.418 1.00 1.00 C ATOM 13 C ASP A 2 -8.096 7.795 -3.089 1.00 1.00 C ATOM 14 O ASP A 2 -8.101 6.609 -2.766 1.00 1.00 O ATOM 15 CB ASP A 2 -7.592 8.278 -5.464 1.00 1.00 C ATOM 16 CG ASP A 2 -7.697 7.216 -6.560 1.00 1.00 C ATOM 17 OD1 ASP A 2 -6.703 6.879 -7.220 1.00 1.00 O ATOM 18 OD2 ASP A 2 -8.876 6.720 -6.727 1.00 1.00 O ATOM 0 H ASP A 2 -9.015 10.249 -4.935 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.486 7.551 -4.744 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.586 9.262 -5.932 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.635 8.161 -4.956 1.00 1.00 H new ATOM 24 N ASP A 3 -7.583 8.771 -2.353 1.00 1.00 N ATOM 25 CA ASP A 3 -6.969 8.493 -1.066 1.00 1.00 C ATOM 26 C ASP A 3 -7.775 7.412 -0.343 1.00 1.00 C ATOM 27 O ASP A 3 -8.926 7.636 0.030 1.00 1.00 O ATOM 28 CB ASP A 3 -6.954 9.742 -0.182 1.00 1.00 C ATOM 29 CG ASP A 3 -6.918 9.469 1.323 1.00 1.00 C ATOM 30 OD1 ASP A 3 -7.951 9.181 1.945 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.751 9.563 1.866 1.00 1.00 O ATOM 0 H ASP A 3 -7.580 9.754 -2.624 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.945 8.165 -1.245 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.086 10.346 -0.447 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.838 10.338 -0.407 1.00 1.00 H new ATOM 37 N ILE A 4 -7.139 6.264 -0.166 1.00 1.00 N ATOM 38 CA ILE A 4 -7.782 5.147 0.505 1.00 1.00 C ATOM 39 C ILE A 4 -7.136 4.942 1.877 1.00 1.00 C ATOM 40 O ILE A 4 -6.236 4.116 2.025 1.00 1.00 O ATOM 41 CB ILE A 4 -7.753 3.900 -0.381 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.955 3.873 -1.329 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.661 2.629 0.464 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.927 2.626 -2.214 1.00 1.00 C ATOM 0 H ILE A 4 -6.184 6.083 -0.476 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.837 5.362 0.677 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.856 3.941 -0.999 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.879 3.892 -0.751 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.951 4.767 -1.953 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.642 1.758 -0.190 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.749 2.654 1.061 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.526 2.568 1.125 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.792 2.631 -2.878 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -8.013 2.622 -2.808 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.956 1.734 -1.588 1.00 1.00 H new ATOM 56 N VAL A 5 -7.620 5.706 2.844 1.00 1.00 N ATOM 57 CA VAL A 5 -7.101 5.618 4.198 1.00 1.00 C ATOM 58 C VAL A 5 -7.409 4.232 4.769 1.00 1.00 C ATOM 59 O VAL A 5 -8.566 3.817 4.811 1.00 1.00 O ATOM 60 CB VAL A 5 -7.669 6.755 5.051 1.00 1.00 C ATOM 61 CG1 VAL A 5 -7.077 6.730 6.462 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.437 8.111 4.382 1.00 1.00 C ATOM 0 H VAL A 5 -8.367 6.389 2.717 1.00 1.00 H new ATOM 0 HA VAL A 5 -6.018 5.737 4.200 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.745 6.604 5.137 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.497 7.548 7.047 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.317 5.781 6.941 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.994 6.844 6.404 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.850 8.901 5.009 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.367 8.274 4.251 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -7.928 8.125 3.409 1.00 1.00 H new ATOM 72 N LEU A 6 -6.352 3.554 5.193 1.00 1.00 N ATOM 73 CA LEU A 6 -6.495 2.224 5.758 1.00 1.00 C ATOM 74 C LEU A 6 -6.790 2.339 7.255 1.00 1.00 C ATOM 75 O LEU A 6 -7.018 3.436 7.764 1.00 1.00 O ATOM 76 CB LEU A 6 -5.265 1.371 5.438 1.00 1.00 C ATOM 77 CG LEU A 6 -5.106 0.946 3.977 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.652 0.581 3.668 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.069 -0.191 3.628 1.00 1.00 C ATOM 0 H LEU A 6 -5.394 3.901 5.156 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.341 1.707 5.305 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.375 1.927 5.733 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.299 0.473 6.055 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.367 1.794 3.344 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.566 0.282 2.623 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -3.013 1.445 3.852 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.340 -0.244 4.308 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -5.935 -0.474 2.584 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -5.863 -1.051 4.266 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.095 0.140 3.785 1.00 1.00 H new ATOM 91 N LYS A 7 -6.776 1.193 7.919 1.00 1.00 N ATOM 92 CA LYS A 7 -7.039 1.152 9.347 1.00 1.00 C ATOM 93 C LYS A 7 -5.754 0.778 10.088 1.00 1.00 C ATOM 94 O LYS A 7 -5.097 -0.204 9.743 1.00 1.00 O ATOM 95 CB LYS A 7 -8.215 0.221 9.649 1.00 1.00 C ATOM 96 CG LYS A 7 -7.915 -1.208 9.190 1.00 1.00 C ATOM 97 CD LYS A 7 -8.347 -2.225 10.248 1.00 1.00 C ATOM 98 CE LYS A 7 -7.180 -3.130 10.647 1.00 1.00 C ATOM 99 NZ LYS A 7 -6.656 -2.745 11.977 1.00 1.00 N ATOM 0 H LYS A 7 -6.586 0.285 7.494 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.340 2.136 9.706 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.423 0.227 10.719 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -9.111 0.587 9.148 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.434 -1.410 8.253 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -6.848 -1.314 8.992 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -8.724 -1.703 11.127 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -9.166 -2.831 9.862 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -7.508 -4.169 10.666 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -6.387 -3.060 9.903 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -5.864 -3.369 12.232 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -6.324 -1.760 11.948 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -7.411 -2.835 12.687 1.00 1.00 H new ATOM 112 N ALA A 8 -5.432 1.581 11.092 1.00 1.00 N ATOM 113 CA ALA A 8 -4.237 1.347 11.884 1.00 1.00 C ATOM 114 C ALA A 8 -4.177 2.367 13.023 1.00 1.00 C ATOM 115 O ALA A 8 -3.962 3.555 12.786 1.00 1.00 O ATOM 116 CB ALA A 8 -3.005 1.409 10.980 1.00 1.00 C ATOM 0 H ALA A 8 -5.978 2.395 11.375 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.262 0.354 12.332 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.108 1.233 11.574 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.083 0.645 10.206 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.945 2.393 10.514 1.00 1.00 H new ATOM 122 N LYS A 9 -4.371 1.866 14.234 1.00 1.00 N ATOM 123 CA LYS A 9 -4.342 2.719 15.410 1.00 1.00 C ATOM 124 C LYS A 9 -2.916 3.226 15.632 1.00 1.00 C ATOM 125 O LYS A 9 -2.689 4.112 16.454 1.00 1.00 O ATOM 126 CB LYS A 9 -4.930 1.987 16.618 1.00 1.00 C ATOM 127 CG LYS A 9 -6.415 2.310 16.787 1.00 1.00 C ATOM 128 CD LYS A 9 -6.608 3.700 17.398 1.00 1.00 C ATOM 129 CE LYS A 9 -6.259 3.697 18.887 1.00 1.00 C ATOM 130 NZ LYS A 9 -7.379 3.142 19.681 1.00 1.00 N ATOM 0 H LYS A 9 -4.549 0.880 14.426 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.972 3.595 15.260 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.800 0.912 16.494 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -4.388 2.272 17.519 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.914 2.262 15.819 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.884 1.560 17.425 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -5.980 4.421 16.875 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -7.641 4.020 17.264 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -5.359 3.106 19.054 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -6.039 4.712 19.217 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -7.126 3.147 20.690 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -8.229 3.723 19.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -7.570 2.166 19.377 1.00 1.00 H new ATOM 143 N ASN A 10 -1.991 2.641 14.885 1.00 1.00 N ATOM 144 CA ASN A 10 -0.593 3.022 14.990 1.00 1.00 C ATOM 145 C ASN A 10 -0.326 4.221 14.078 1.00 1.00 C ATOM 146 O ASN A 10 0.799 4.715 14.010 1.00 1.00 O ATOM 147 CB ASN A 10 0.324 1.879 14.549 1.00 1.00 C ATOM 148 CG ASN A 10 0.141 0.652 15.446 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.854 -0.051 15.383 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.154 0.437 16.280 1.00 1.00 N ATOM 0 H ASN A 10 -2.183 1.906 14.204 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.388 3.268 16.032 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.108 1.613 13.514 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.363 2.207 14.583 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.128 -0.357 16.920 1.00 1.00 H new ATOM 0 HD22 ASN A 10 1.957 1.066 16.280 1.00 1.00 H new ATOM 157 N GLY A 11 -1.378 4.654 13.399 1.00 1.00 N ATOM 158 CA GLY A 11 -1.271 5.785 12.494 1.00 1.00 C ATOM 159 C GLY A 11 -1.708 5.399 11.080 1.00 1.00 C ATOM 160 O GLY A 11 -1.038 4.614 10.412 1.00 1.00 O ATOM 0 H GLY A 11 -2.309 4.241 13.458 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.889 6.606 12.858 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -0.242 6.144 12.475 1.00 1.00 H new ATOM 164 N ASP A 12 -2.830 5.970 10.665 1.00 1.00 N ATOM 165 CA ASP A 12 -3.364 5.695 9.342 1.00 1.00 C ATOM 166 C ASP A 12 -2.217 5.660 8.330 1.00 1.00 C ATOM 167 O ASP A 12 -1.135 6.181 8.595 1.00 1.00 O ATOM 168 CB ASP A 12 -4.345 6.786 8.907 1.00 1.00 C ATOM 169 CG ASP A 12 -5.824 6.420 9.048 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.698 7.298 9.086 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.068 5.155 9.122 1.00 1.00 O ATOM 0 H ASP A 12 -3.383 6.621 11.222 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.883 4.737 9.380 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.151 7.683 9.494 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.146 7.038 7.865 1.00 1.00 H new ATOM 177 N VAL A 13 -2.493 5.040 7.192 1.00 1.00 N ATOM 178 CA VAL A 13 -1.497 4.929 6.140 1.00 1.00 C ATOM 179 C VAL A 13 -2.103 5.406 4.819 1.00 1.00 C ATOM 180 O VAL A 13 -2.659 4.610 4.063 1.00 1.00 O ATOM 181 CB VAL A 13 -0.965 3.497 6.071 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.223 3.399 5.112 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.589 2.984 7.463 1.00 1.00 C ATOM 0 H VAL A 13 -3.392 4.609 6.976 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.641 5.569 6.355 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.762 2.862 5.684 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.582 2.370 5.082 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.089 3.704 4.113 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.024 4.053 5.457 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.214 1.964 7.386 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.184 3.623 7.890 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.469 2.999 8.106 1.00 1.00 H new ATOM 193 N LYS A 14 -1.975 6.703 4.579 1.00 1.00 N ATOM 194 CA LYS A 14 -2.503 7.295 3.362 1.00 1.00 C ATOM 195 C LYS A 14 -1.842 6.636 2.150 1.00 1.00 C ATOM 196 O LYS A 14 -0.640 6.787 1.936 1.00 1.00 O ATOM 197 CB LYS A 14 -2.348 8.817 3.395 1.00 1.00 C ATOM 198 CG LYS A 14 -2.574 9.422 2.008 1.00 1.00 C ATOM 199 CD LYS A 14 -1.539 10.507 1.708 1.00 1.00 C ATOM 200 CE LYS A 14 -0.713 10.150 0.470 1.00 1.00 C ATOM 201 NZ LYS A 14 0.447 11.059 0.341 1.00 1.00 N ATOM 0 H LYS A 14 -1.513 7.360 5.207 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.574 7.108 3.282 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.060 9.243 4.102 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.351 9.077 3.751 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.515 8.639 1.252 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.577 9.845 1.951 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.042 11.461 1.551 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.879 10.632 2.566 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -0.368 9.118 0.541 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -1.336 10.217 -0.422 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 1.135 10.652 -0.324 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 0.127 11.982 -0.015 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.896 11.183 1.271 1.00 1.00 H new ATOM 214 N LEU A 15 -2.655 5.918 1.390 1.00 1.00 N ATOM 215 CA LEU A 15 -2.164 5.234 0.206 1.00 1.00 C ATOM 216 C LEU A 15 -2.675 5.956 -1.043 1.00 1.00 C ATOM 217 O LEU A 15 -3.836 5.846 -1.430 1.00 1.00 O ATOM 218 CB LEU A 15 -2.531 3.750 0.252 1.00 1.00 C ATOM 219 CG LEU A 15 -2.529 3.016 -1.090 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.145 2.438 -1.397 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.619 1.944 -1.132 1.00 1.00 C ATOM 0 H LEU A 15 -3.651 5.795 1.571 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.075 5.267 0.171 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.834 3.245 0.921 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.523 3.655 0.694 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.758 3.738 -1.873 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.171 1.921 -2.356 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.415 3.246 -1.440 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.863 1.735 -0.614 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.595 1.438 -2.097 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.446 1.218 -0.337 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.594 2.411 -0.991 1.00 1.00 H new ATOM 233 N PRO A 16 -1.768 6.707 -1.672 1.00 1.00 N ATOM 234 CA PRO A 16 -2.032 7.472 -2.871 1.00 1.00 C ATOM 235 C PRO A 16 -2.504 6.541 -3.978 1.00 1.00 C ATOM 236 O PRO A 16 -1.789 6.382 -4.966 1.00 1.00 O ATOM 237 CB PRO A 16 -0.694 8.114 -3.229 1.00 1.00 C ATOM 238 CG PRO A 16 0.123 8.078 -2.002 1.00 1.00 C ATOM 239 CD PRO A 16 -0.394 6.858 -1.244 1.00 1.00 C ATOM 0 HA PRO A 16 -2.811 8.221 -2.732 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.206 7.570 -4.038 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.834 9.139 -3.573 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.184 7.983 -2.233 1.00 1.00 H new ATOM 0 HG3 PRO A 16 0.004 8.990 -1.417 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.193 5.970 -1.479 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.330 7.007 -0.166 1.00 1.00 H new ATOM 247 N HIS A 17 -3.677 5.951 -3.798 1.00 1.00 N ATOM 248 CA HIS A 17 -4.218 5.041 -4.794 1.00 1.00 C ATOM 249 C HIS A 17 -4.006 5.626 -6.192 1.00 1.00 C ATOM 250 O HIS A 17 -3.533 4.935 -7.092 1.00 1.00 O ATOM 251 CB HIS A 17 -5.686 4.725 -4.500 1.00 1.00 C ATOM 252 CG HIS A 17 -6.226 3.545 -5.272 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.150 3.678 -6.294 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.963 2.211 -5.162 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.424 2.472 -6.770 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.687 1.564 -6.067 1.00 1.00 N ATOM 0 H HIS A 17 -4.268 6.085 -2.977 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.686 4.091 -4.751 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.799 4.531 -3.433 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.289 5.603 -4.730 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.552 4.555 -6.625 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.281 1.758 -4.458 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.110 2.247 -7.573 1.00 1.00 H new ATOM 264 N LYS A 18 -4.366 6.894 -6.329 1.00 1.00 N ATOM 265 CA LYS A 18 -4.221 7.579 -7.602 1.00 1.00 C ATOM 266 C LYS A 18 -2.756 7.530 -8.039 1.00 1.00 C ATOM 267 O LYS A 18 -2.451 7.114 -9.155 1.00 1.00 O ATOM 268 CB LYS A 18 -4.790 8.997 -7.514 1.00 1.00 C ATOM 269 CG LYS A 18 -4.822 9.661 -8.892 1.00 1.00 C ATOM 270 CD LYS A 18 -5.962 9.099 -9.745 1.00 1.00 C ATOM 271 CE LYS A 18 -7.271 9.842 -9.468 1.00 1.00 C ATOM 272 NZ LYS A 18 -7.258 11.174 -10.114 1.00 1.00 N ATOM 0 H LYS A 18 -4.758 7.464 -5.580 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.801 7.074 -8.375 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.797 8.963 -7.099 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.184 9.594 -6.832 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -4.945 10.738 -8.778 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -3.870 9.501 -9.399 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -5.707 9.185 -10.801 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -6.090 8.037 -9.533 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -8.113 9.259 -9.841 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -7.412 9.954 -8.393 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -8.224 11.558 -10.138 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -6.644 11.816 -9.574 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -6.897 11.085 -11.085 1.00 1.00 H new ATOM 285 N ALA A 19 -1.888 7.961 -7.136 1.00 1.00 N ATOM 286 CA ALA A 19 -0.461 7.971 -7.414 1.00 1.00 C ATOM 287 C ALA A 19 -0.003 6.552 -7.756 1.00 1.00 C ATOM 288 O ALA A 19 0.704 6.346 -8.741 1.00 1.00 O ATOM 289 CB ALA A 19 0.289 8.553 -6.214 1.00 1.00 C ATOM 0 H ALA A 19 -2.145 8.306 -6.211 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.242 8.604 -8.274 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.359 8.560 -6.422 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.052 9.572 -6.031 1.00 1.00 H new ATOM 0 HB3 ALA A 19 0.095 7.942 -5.333 1.00 1.00 H new ATOM 295 N HIS A 20 -0.424 5.612 -6.924 1.00 1.00 N ATOM 296 CA HIS A 20 -0.066 4.218 -7.127 1.00 1.00 C ATOM 297 C HIS A 20 -0.749 3.691 -8.390 1.00 1.00 C ATOM 298 O HIS A 20 -0.317 2.691 -8.962 1.00 1.00 O ATOM 299 CB HIS A 20 -0.394 3.387 -5.885 1.00 1.00 C ATOM 300 CG HIS A 20 0.614 3.526 -4.769 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.576 4.560 -3.849 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.686 2.753 -4.434 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.585 4.405 -3.004 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.272 3.285 -3.369 1.00 1.00 N ATOM 0 H HIS A 20 -1.010 5.788 -6.108 1.00 1.00 H new ATOM 0 HA HIS A 20 1.010 4.133 -7.276 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.376 3.681 -5.513 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.462 2.337 -6.170 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.112 5.313 -3.826 1.00 1.00 H new ATOM 0 HD2 HIS A 20 2.004 1.859 -4.949 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.822 5.052 -2.172 1.00 1.00 H new ATOM 312 N GLN A 21 -1.804 4.386 -8.789 1.00 1.00 N ATOM 313 CA GLN A 21 -2.550 4.001 -9.974 1.00 1.00 C ATOM 314 C GLN A 21 -1.780 4.391 -11.237 1.00 1.00 C ATOM 315 O GLN A 21 -1.972 3.794 -12.295 1.00 1.00 O ATOM 316 CB GLN A 21 -3.947 4.625 -9.969 1.00 1.00 C ATOM 317 CG GLN A 21 -4.964 3.689 -9.314 1.00 1.00 C ATOM 318 CD GLN A 21 -6.367 4.299 -9.337 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.547 5.506 -9.302 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.347 3.402 -9.398 1.00 1.00 N ATOM 0 H GLN A 21 -2.160 5.214 -8.312 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.671 2.918 -9.967 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -3.923 5.574 -9.433 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.255 4.844 -10.991 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.971 2.732 -9.836 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.668 3.488 -8.284 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.126 2.407 -9.425 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.319 3.710 -9.418 1.00 1.00 H new ATOM 329 N LYS A 22 -0.924 5.390 -11.084 1.00 1.00 N ATOM 330 CA LYS A 22 -0.123 5.867 -12.199 1.00 1.00 C ATOM 331 C LYS A 22 1.318 5.382 -12.031 1.00 1.00 C ATOM 332 O LYS A 22 2.008 5.122 -13.016 1.00 1.00 O ATOM 333 CB LYS A 22 -0.249 7.386 -12.338 1.00 1.00 C ATOM 334 CG LYS A 22 -1.400 7.757 -13.275 1.00 1.00 C ATOM 335 CD LYS A 22 -1.049 7.438 -14.729 1.00 1.00 C ATOM 336 CE LYS A 22 -2.002 8.149 -15.692 1.00 1.00 C ATOM 337 NZ LYS A 22 -1.852 7.609 -17.062 1.00 1.00 N ATOM 0 H LYS A 22 -0.767 5.883 -10.205 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.491 5.453 -13.137 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -0.415 7.832 -11.357 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.684 7.798 -12.721 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -2.299 7.212 -12.986 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -1.626 8.819 -13.176 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -0.023 7.744 -14.935 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.099 6.361 -14.891 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -3.031 8.022 -15.355 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -1.797 9.219 -15.692 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -2.506 8.102 -17.703 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -0.874 7.753 -17.387 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -2.070 6.592 -17.060 1.00 1.00 H new ATOM 350 N ALA A 23 1.730 5.275 -10.776 1.00 1.00 N ATOM 351 CA ALA A 23 3.077 4.826 -10.467 1.00 1.00 C ATOM 352 C ALA A 23 3.208 3.342 -10.818 1.00 1.00 C ATOM 353 O ALA A 23 4.298 2.872 -11.143 1.00 1.00 O ATOM 354 CB ALA A 23 3.382 5.105 -8.994 1.00 1.00 C ATOM 0 H ALA A 23 1.155 5.491 -9.962 1.00 1.00 H new ATOM 0 HA ALA A 23 3.810 5.372 -11.061 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.392 4.768 -8.762 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.303 6.175 -8.802 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.668 4.571 -8.367 1.00 1.00 H new ATOM 360 N VAL A 24 2.084 2.647 -10.741 1.00 1.00 N ATOM 361 CA VAL A 24 2.060 1.226 -11.048 1.00 1.00 C ATOM 362 C VAL A 24 1.066 0.970 -12.183 1.00 1.00 C ATOM 363 O VAL A 24 -0.095 0.631 -11.969 1.00 1.00 O ATOM 364 CB VAL A 24 1.743 0.424 -9.784 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.395 -1.026 -10.128 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.903 0.488 -8.789 1.00 1.00 C ATOM 0 H VAL A 24 1.183 3.040 -10.471 1.00 1.00 H new ATOM 0 HA VAL A 24 3.039 0.893 -11.392 1.00 1.00 H new ATOM 0 HB VAL A 24 0.871 0.875 -9.311 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.174 -1.574 -9.212 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.523 -1.046 -10.782 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.240 -1.492 -10.635 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.652 -0.090 -7.900 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.800 0.074 -9.249 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.085 1.525 -8.508 1.00 1.00 H new ATOM 376 N PRO A 25 1.558 1.143 -13.412 1.00 1.00 N ATOM 377 CA PRO A 25 0.797 0.955 -14.629 1.00 1.00 C ATOM 378 C PRO A 25 0.431 -0.515 -14.779 1.00 1.00 C ATOM 379 O PRO A 25 0.773 -1.111 -15.799 1.00 1.00 O ATOM 380 CB PRO A 25 1.733 1.403 -15.749 1.00 1.00 C ATOM 381 CG PRO A 25 2.859 2.178 -15.086 1.00 1.00 C ATOM 382 CD PRO A 25 2.919 1.542 -13.699 1.00 1.00 C ATOM 0 HA PRO A 25 -0.136 1.518 -14.638 1.00 1.00 H new ATOM 0 HB2 PRO A 25 2.123 0.544 -16.296 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.205 2.027 -16.470 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.800 2.068 -15.625 1.00 1.00 H new ATOM 0 HG3 PRO A 25 2.643 3.245 -15.035 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.593 0.685 -13.686 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.288 2.249 -12.956 1.00 1.00 H new ATOM 390 N ASP A 26 -0.244 -1.064 -13.779 1.00 1.00 N ATOM 391 CA ASP A 26 -0.641 -2.461 -13.823 1.00 1.00 C ATOM 392 C ASP A 26 -1.520 -2.775 -12.610 1.00 1.00 C ATOM 393 O ASP A 26 -1.019 -3.192 -11.567 1.00 1.00 O ATOM 394 CB ASP A 26 0.580 -3.382 -13.773 1.00 1.00 C ATOM 395 CG ASP A 26 0.766 -4.276 -15.001 1.00 1.00 C ATOM 396 OD1 ASP A 26 0.041 -4.149 -15.999 1.00 1.00 O ATOM 397 OD2 ASP A 26 1.715 -5.144 -14.904 1.00 1.00 O ATOM 0 H ASP A 26 -0.526 -0.567 -12.934 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.182 -2.629 -14.754 1.00 1.00 H new ATOM 0 HB2 ASP A 26 1.473 -2.770 -13.649 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.503 -4.015 -12.889 1.00 1.00 H new ATOM 403 N CYS A 27 -2.815 -2.562 -12.788 1.00 1.00 N ATOM 404 CA CYS A 27 -3.769 -2.818 -11.722 1.00 1.00 C ATOM 405 C CYS A 27 -3.940 -4.331 -11.582 1.00 1.00 C ATOM 406 O CYS A 27 -5.043 -4.852 -11.740 1.00 1.00 O ATOM 407 CB CYS A 27 -5.103 -2.113 -11.975 1.00 1.00 C ATOM 408 SG CYS A 27 -4.978 -0.545 -12.910 1.00 1.00 S ATOM 0 H CYS A 27 -3.226 -2.215 -13.654 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.389 -2.409 -10.786 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.759 -2.792 -12.519 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.578 -1.910 -11.015 1.00 1.00 H new ATOM 413 N LYS A 28 -2.832 -4.995 -11.287 1.00 1.00 N ATOM 414 CA LYS A 28 -2.845 -6.439 -11.125 1.00 1.00 C ATOM 415 C LYS A 28 -1.879 -6.831 -10.005 1.00 1.00 C ATOM 416 O LYS A 28 -2.234 -7.604 -9.116 1.00 1.00 O ATOM 417 CB LYS A 28 -2.554 -7.131 -12.458 1.00 1.00 C ATOM 418 CG LYS A 28 -1.181 -6.727 -12.997 1.00 1.00 C ATOM 419 CD LYS A 28 -0.861 -7.471 -14.296 1.00 1.00 C ATOM 420 CE LYS A 28 -1.732 -6.962 -15.447 1.00 1.00 C ATOM 421 NZ LYS A 28 -1.962 -8.038 -16.437 1.00 1.00 N ATOM 0 H LYS A 28 -1.919 -4.559 -11.156 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.836 -6.779 -10.826 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.593 -8.212 -12.327 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.325 -6.870 -13.183 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.158 -5.652 -13.174 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.416 -6.944 -12.252 1.00 1.00 H new ATOM 0 HD2 LYS A 28 0.192 -7.339 -14.546 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.024 -8.540 -14.157 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -2.687 -6.606 -15.059 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -1.248 -6.113 -15.930 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -2.555 -7.676 -17.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -1.050 -8.358 -16.820 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -2.444 -8.836 -15.976 1.00 1.00 H new ATOM 434 N LYS A 29 -0.677 -6.280 -10.084 1.00 1.00 N ATOM 435 CA LYS A 29 0.343 -6.562 -9.089 1.00 1.00 C ATOM 436 C LYS A 29 -0.168 -6.143 -7.709 1.00 1.00 C ATOM 437 O LYS A 29 0.380 -6.557 -6.688 1.00 1.00 O ATOM 438 CB LYS A 29 1.669 -5.906 -9.479 1.00 1.00 C ATOM 439 CG LYS A 29 2.642 -5.892 -8.298 1.00 1.00 C ATOM 440 CD LYS A 29 3.152 -7.301 -7.991 1.00 1.00 C ATOM 441 CE LYS A 29 4.674 -7.310 -7.828 1.00 1.00 C ATOM 442 NZ LYS A 29 5.333 -7.536 -9.134 1.00 1.00 N ATOM 0 H LYS A 29 -0.386 -5.639 -10.822 1.00 1.00 H new ATOM 0 HA LYS A 29 0.545 -7.632 -9.044 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.114 -6.446 -10.315 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.488 -4.886 -9.818 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.484 -5.238 -8.524 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.146 -5.481 -7.419 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.683 -7.671 -7.079 1.00 1.00 H new ATOM 0 HD3 LYS A 29 2.865 -7.979 -8.795 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.006 -6.362 -7.405 1.00 1.00 H new ATOM 0 HE3 LYS A 29 4.966 -8.091 -7.126 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.365 -7.539 -9.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.029 -8.452 -9.522 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.068 -6.776 -9.793 1.00 1.00 H new ATOM 455 N CYS A 30 -1.211 -5.327 -7.722 1.00 1.00 N ATOM 456 CA CYS A 30 -1.802 -4.847 -6.484 1.00 1.00 C ATOM 457 C CYS A 30 -3.173 -5.506 -6.319 1.00 1.00 C ATOM 458 O CYS A 30 -3.615 -5.755 -5.199 1.00 1.00 O ATOM 459 CB CYS A 30 -1.896 -3.320 -6.457 1.00 1.00 C ATOM 460 SG CYS A 30 -0.569 -2.631 -5.402 1.00 1.00 S ATOM 0 H CYS A 30 -1.663 -4.986 -8.570 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.165 -5.121 -5.643 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.810 -2.924 -7.469 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.870 -3.014 -6.077 1.00 1.00 H new ATOM 465 N HIS A 31 -3.807 -5.770 -7.452 1.00 1.00 N ATOM 466 CA HIS A 31 -5.119 -6.396 -7.447 1.00 1.00 C ATOM 467 C HIS A 31 -5.023 -7.793 -8.063 1.00 1.00 C ATOM 468 O HIS A 31 -4.671 -7.937 -9.232 1.00 1.00 O ATOM 469 CB HIS A 31 -6.147 -5.507 -8.150 1.00 1.00 C ATOM 470 CG HIS A 31 -6.523 -4.269 -7.372 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.249 -4.314 -6.195 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.264 -2.951 -7.614 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.416 -3.075 -5.757 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.805 -2.232 -6.638 1.00 1.00 N ATOM 0 H HIS A 31 -3.437 -5.562 -8.380 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.467 -6.513 -6.421 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.750 -5.207 -9.120 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -7.047 -6.091 -8.341 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.597 -5.159 -5.741 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.713 -2.560 -8.456 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.943 -2.784 -4.860 1.00 1.00 H new ATOM 482 N GLU A 32 -5.344 -8.787 -7.248 1.00 1.00 N ATOM 483 CA GLU A 32 -5.299 -10.168 -7.698 1.00 1.00 C ATOM 484 C GLU A 32 -6.467 -10.457 -8.642 1.00 1.00 C ATOM 485 O GLU A 32 -6.417 -10.110 -9.821 1.00 1.00 O ATOM 486 CB GLU A 32 -5.303 -11.132 -6.510 1.00 1.00 C ATOM 487 CG GLU A 32 -3.896 -11.292 -5.929 1.00 1.00 C ATOM 488 CD GLU A 32 -3.849 -10.831 -4.471 1.00 1.00 C ATOM 489 OE1 GLU A 32 -4.845 -10.969 -3.744 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.728 -10.313 -4.098 1.00 1.00 O ATOM 0 H GLU A 32 -5.636 -8.664 -6.279 1.00 1.00 H new ATOM 0 HA GLU A 32 -4.369 -10.321 -8.245 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.979 -10.762 -5.739 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.682 -12.104 -6.827 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -3.588 -12.336 -5.994 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.187 -10.713 -6.520 1.00 1.00 H new ATOM 498 N LYS A 33 -7.492 -11.089 -8.089 1.00 1.00 N ATOM 499 CA LYS A 33 -8.671 -11.428 -8.867 1.00 1.00 C ATOM 500 C LYS A 33 -9.099 -10.213 -9.692 1.00 1.00 C ATOM 501 O LYS A 33 -9.742 -10.358 -10.730 1.00 1.00 O ATOM 502 CB LYS A 33 -9.774 -11.975 -7.958 1.00 1.00 C ATOM 503 CG LYS A 33 -9.442 -13.392 -7.485 1.00 1.00 C ATOM 504 CD LYS A 33 -8.703 -13.363 -6.145 1.00 1.00 C ATOM 505 CE LYS A 33 -9.049 -14.593 -5.303 1.00 1.00 C ATOM 506 NZ LYS A 33 -9.787 -14.195 -4.083 1.00 1.00 N ATOM 0 H LYS A 33 -7.530 -11.375 -7.111 1.00 1.00 H new ATOM 0 HA LYS A 33 -8.445 -12.228 -9.572 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.898 -11.320 -7.096 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.723 -11.980 -8.494 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -10.360 -13.971 -7.386 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.828 -13.894 -8.232 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -7.628 -13.328 -6.319 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -8.968 -12.458 -5.599 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -9.652 -15.285 -5.890 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -8.136 -15.121 -5.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -9.377 -14.675 -3.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -9.717 -13.165 -3.955 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -10.787 -14.465 -4.179 1.00 1.00 H new ATOM 519 N GLY A 34 -8.726 -9.041 -9.198 1.00 1.00 N ATOM 520 CA GLY A 34 -9.064 -7.801 -9.876 1.00 1.00 C ATOM 521 C GLY A 34 -9.283 -6.669 -8.871 1.00 1.00 C ATOM 522 O GLY A 34 -9.185 -6.844 -7.659 1.00 1.00 O ATOM 0 H GLY A 34 -8.193 -8.924 -8.336 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.265 -7.530 -10.566 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.966 -7.942 -10.472 1.00 1.00 H new ATOM 526 N PRO A 35 -9.587 -5.486 -9.411 1.00 1.00 N ATOM 527 CA PRO A 35 -9.836 -4.281 -8.649 1.00 1.00 C ATOM 528 C PRO A 35 -10.843 -4.574 -7.546 1.00 1.00 C ATOM 529 O PRO A 35 -11.963 -4.976 -7.856 1.00 1.00 O ATOM 530 CB PRO A 35 -10.405 -3.289 -9.661 1.00 1.00 C ATOM 531 CG PRO A 35 -10.751 -4.135 -10.955 1.00 1.00 C ATOM 532 CD PRO A 35 -9.710 -5.245 -10.832 1.00 1.00 C ATOM 0 HA PRO A 35 -8.940 -3.891 -8.166 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -11.294 -2.797 -9.267 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.682 -2.506 -9.889 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.772 -4.518 -10.942 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -10.638 -3.558 -11.873 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.028 -6.145 -11.359 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.757 -4.942 -11.265 1.00 1.00 H new ATOM 540 N GLY A 36 -10.435 -4.373 -6.302 1.00 1.00 N ATOM 541 CA GLY A 36 -11.318 -4.623 -5.175 1.00 1.00 C ATOM 542 C GLY A 36 -10.545 -5.210 -3.992 1.00 1.00 C ATOM 543 O GLY A 36 -9.317 -5.269 -4.017 1.00 1.00 O ATOM 0 H GLY A 36 -9.505 -4.040 -6.049 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.800 -3.693 -4.873 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.109 -5.310 -5.474 1.00 1.00 H new ATOM 547 N LYS A 37 -11.297 -5.628 -2.984 1.00 1.00 N ATOM 548 CA LYS A 37 -10.698 -6.208 -1.795 1.00 1.00 C ATOM 549 C LYS A 37 -9.586 -7.175 -2.208 1.00 1.00 C ATOM 550 O LYS A 37 -9.628 -7.745 -3.297 1.00 1.00 O ATOM 551 CB LYS A 37 -11.771 -6.846 -0.911 1.00 1.00 C ATOM 552 CG LYS A 37 -12.499 -5.787 -0.081 1.00 1.00 C ATOM 553 CD LYS A 37 -13.134 -4.726 -0.982 1.00 1.00 C ATOM 554 CE LYS A 37 -13.982 -3.749 -0.164 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.402 -3.828 -0.573 1.00 1.00 N ATOM 0 H LYS A 37 -12.316 -5.576 -2.967 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.235 -5.432 -1.185 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -12.488 -7.382 -1.533 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -11.312 -7.580 -0.249 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -13.269 -6.262 0.526 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.798 -5.313 0.606 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -12.354 -4.180 -1.513 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.755 -5.209 -1.737 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -13.890 -3.979 0.898 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.613 -2.733 -0.304 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -15.964 -3.159 -0.008 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -15.487 -3.587 -1.581 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.755 -4.794 -0.417 1.00 1.00 H new ATOM 568 N ILE A 38 -8.619 -7.331 -1.316 1.00 1.00 N ATOM 569 CA ILE A 38 -7.499 -8.219 -1.574 1.00 1.00 C ATOM 570 C ILE A 38 -7.491 -9.340 -0.533 1.00 1.00 C ATOM 571 O ILE A 38 -7.654 -9.085 0.660 1.00 1.00 O ATOM 572 CB ILE A 38 -6.191 -7.428 -1.635 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.318 -6.230 -2.578 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.019 -8.335 -2.016 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.170 -5.241 -2.366 1.00 1.00 C ATOM 0 H ILE A 38 -8.588 -6.857 -0.413 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.605 -8.691 -2.551 1.00 1.00 H new ATOM 0 HB ILE A 38 -5.984 -7.034 -0.640 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.319 -6.575 -3.612 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.271 -5.728 -2.408 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.101 -7.748 -2.052 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -4.915 -9.126 -1.273 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.205 -8.778 -2.994 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.284 -4.399 -3.049 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.186 -4.879 -1.338 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.220 -5.739 -2.560 1.00 1.00 H new ATOM 587 N GLU A 39 -7.301 -10.557 -1.021 1.00 1.00 N ATOM 588 CA GLU A 39 -7.271 -11.717 -0.147 1.00 1.00 C ATOM 589 C GLU A 39 -5.834 -12.019 0.285 1.00 1.00 C ATOM 590 O GLU A 39 -4.945 -12.153 -0.554 1.00 1.00 O ATOM 591 CB GLU A 39 -7.905 -12.932 -0.827 1.00 1.00 C ATOM 592 CG GLU A 39 -7.176 -13.276 -2.128 1.00 1.00 C ATOM 593 CD GLU A 39 -6.699 -14.730 -2.122 1.00 1.00 C ATOM 594 OE1 GLU A 39 -6.151 -15.199 -1.113 1.00 1.00 O ATOM 595 OE2 GLU A 39 -6.917 -15.380 -3.214 1.00 1.00 O ATOM 0 H GLU A 39 -7.166 -10.765 -2.010 1.00 1.00 H new ATOM 0 HA GLU A 39 -7.858 -11.492 0.743 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -7.875 -13.787 -0.152 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.955 -12.729 -1.037 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -7.841 -13.111 -2.976 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -6.323 -12.610 -2.258 1.00 1.00 H new ATOM 603 N GLY A 40 -5.652 -12.116 1.593 1.00 1.00 N ATOM 604 CA GLY A 40 -4.339 -12.400 2.147 1.00 1.00 C ATOM 605 C GLY A 40 -3.780 -11.181 2.884 1.00 1.00 C ATOM 606 O GLY A 40 -3.292 -11.300 4.007 1.00 1.00 O ATOM 0 H GLY A 40 -6.392 -12.003 2.286 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.404 -13.245 2.832 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -3.658 -12.690 1.347 1.00 1.00 H new ATOM 610 N PHE A 41 -3.870 -10.036 2.222 1.00 1.00 N ATOM 611 CA PHE A 41 -3.380 -8.797 2.801 1.00 1.00 C ATOM 612 C PHE A 41 -4.134 -8.456 4.088 1.00 1.00 C ATOM 613 O PHE A 41 -5.345 -8.655 4.173 1.00 1.00 O ATOM 614 CB PHE A 41 -3.629 -7.693 1.770 1.00 1.00 C ATOM 615 CG PHE A 41 -3.049 -6.333 2.163 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.561 -5.657 3.227 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.022 -5.800 1.449 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.023 -4.395 3.591 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.484 -4.537 1.814 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.996 -3.861 2.877 1.00 1.00 C ATOM 0 H PHE A 41 -4.275 -9.941 1.291 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.323 -8.894 3.047 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.200 -7.998 0.816 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.703 -7.588 1.617 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.377 -6.081 3.794 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.615 -6.337 0.605 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.429 -3.858 4.436 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.668 -4.114 1.247 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.587 -2.901 3.154 1.00 1.00 H new ATOM 630 N GLY A 42 -3.387 -7.949 5.057 1.00 1.00 N ATOM 631 CA GLY A 42 -3.970 -7.579 6.336 1.00 1.00 C ATOM 632 C GLY A 42 -2.942 -6.874 7.223 1.00 1.00 C ATOM 633 O GLY A 42 -3.279 -5.940 7.948 1.00 1.00 O ATOM 0 H GLY A 42 -2.383 -7.785 4.983 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.826 -6.924 6.174 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.342 -8.470 6.842 1.00 1.00 H new ATOM 637 N LYS A 43 -1.708 -7.350 7.137 1.00 1.00 N ATOM 638 CA LYS A 43 -0.629 -6.777 7.924 1.00 1.00 C ATOM 639 C LYS A 43 0.713 -7.161 7.297 1.00 1.00 C ATOM 640 O LYS A 43 1.279 -6.397 6.517 1.00 1.00 O ATOM 641 CB LYS A 43 -0.761 -7.185 9.392 1.00 1.00 C ATOM 642 CG LYS A 43 0.294 -6.486 10.252 1.00 1.00 C ATOM 643 CD LYS A 43 1.478 -7.414 10.529 1.00 1.00 C ATOM 644 CE LYS A 43 2.309 -6.905 11.709 1.00 1.00 C ATOM 645 NZ LYS A 43 3.122 -8.002 12.282 1.00 1.00 N ATOM 0 H LYS A 43 -1.432 -8.125 6.535 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.687 -5.689 7.914 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.757 -6.932 9.755 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.653 -8.266 9.484 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.643 -5.586 9.746 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.152 -6.168 11.194 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.115 -8.419 10.742 1.00 1.00 H new ATOM 0 HD3 LYS A 43 2.106 -7.484 9.641 1.00 1.00 H new ATOM 0 HE2 LYS A 43 2.960 -6.095 11.380 1.00 1.00 H new ATOM 0 HE3 LYS A 43 1.651 -6.494 12.475 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 3.680 -7.640 13.082 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 2.495 -8.762 12.614 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 3.763 -8.376 11.554 1.00 1.00 H new ATOM 658 N GLU A 44 1.183 -8.345 7.662 1.00 1.00 N ATOM 659 CA GLU A 44 2.447 -8.840 7.145 1.00 1.00 C ATOM 660 C GLU A 44 2.612 -8.444 5.676 1.00 1.00 C ATOM 661 O GLU A 44 3.696 -8.043 5.256 1.00 1.00 O ATOM 662 CB GLU A 44 2.555 -10.357 7.319 1.00 1.00 C ATOM 663 CG GLU A 44 3.544 -10.955 6.317 1.00 1.00 C ATOM 664 CD GLU A 44 4.968 -10.470 6.597 1.00 1.00 C ATOM 665 OE1 GLU A 44 5.210 -9.256 6.651 1.00 1.00 O ATOM 666 OE2 GLU A 44 5.840 -11.407 6.762 1.00 1.00 O ATOM 0 H GLU A 44 0.711 -8.976 8.310 1.00 1.00 H new ATOM 0 HA GLU A 44 3.254 -8.383 7.717 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.876 -10.588 8.335 1.00 1.00 H new ATOM 0 HB3 GLU A 44 1.574 -10.813 7.184 1.00 1.00 H new ATOM 0 HG2 GLU A 44 3.509 -12.043 6.371 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.254 -10.677 5.304 1.00 1.00 H new ATOM 674 N MET A 45 1.520 -8.571 4.936 1.00 1.00 N ATOM 675 CA MET A 45 1.530 -8.232 3.523 1.00 1.00 C ATOM 676 C MET A 45 2.093 -6.827 3.301 1.00 1.00 C ATOM 677 O MET A 45 3.022 -6.643 2.516 1.00 1.00 O ATOM 678 CB MET A 45 0.105 -8.304 2.971 1.00 1.00 C ATOM 679 CG MET A 45 -0.172 -9.674 2.348 1.00 1.00 C ATOM 680 SD MET A 45 -0.550 -10.861 3.626 1.00 1.00 S ATOM 681 CE MET A 45 0.618 -12.146 3.211 1.00 1.00 C ATOM 0 H MET A 45 0.623 -8.904 5.288 1.00 1.00 H new ATOM 0 HA MET A 45 2.168 -8.946 3.001 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.609 -8.113 3.772 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.039 -7.524 2.223 1.00 1.00 H new ATOM 0 HG2 MET A 45 -1.005 -9.603 1.649 1.00 1.00 H new ATOM 0 HG3 MET A 45 0.696 -10.005 1.778 1.00 1.00 H new ATOM 0 HE1 MET A 45 0.516 -12.971 3.916 1.00 1.00 H new ATOM 0 HE2 MET A 45 0.420 -12.505 2.201 1.00 1.00 H new ATOM 0 HE3 MET A 45 1.631 -11.747 3.263 1.00 1.00 H new ATOM 691 N ALA A 46 1.508 -5.871 4.008 1.00 1.00 N ATOM 692 CA ALA A 46 1.939 -4.488 3.898 1.00 1.00 C ATOM 693 C ALA A 46 3.406 -4.381 4.318 1.00 1.00 C ATOM 694 O ALA A 46 4.212 -3.765 3.622 1.00 1.00 O ATOM 695 CB ALA A 46 1.024 -3.598 4.742 1.00 1.00 C ATOM 0 H ALA A 46 0.739 -6.027 4.659 1.00 1.00 H new ATOM 0 HA ALA A 46 1.865 -4.144 2.866 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.348 -2.561 4.659 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.002 -3.688 4.384 1.00 1.00 H new ATOM 0 HB3 ALA A 46 1.073 -3.911 5.785 1.00 1.00 H new ATOM 701 N HIS A 47 3.709 -4.990 5.455 1.00 1.00 N ATOM 702 CA HIS A 47 5.065 -4.971 5.977 1.00 1.00 C ATOM 703 C HIS A 47 5.946 -5.910 5.150 1.00 1.00 C ATOM 704 O HIS A 47 7.134 -6.060 5.431 1.00 1.00 O ATOM 705 CB HIS A 47 5.077 -5.307 7.470 1.00 1.00 C ATOM 706 CG HIS A 47 4.215 -4.396 8.311 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.314 -4.872 9.248 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.127 -3.036 8.348 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.715 -3.836 9.816 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.220 -2.698 9.257 1.00 1.00 N ATOM 0 H HIS A 47 3.038 -5.500 6.030 1.00 1.00 H new ATOM 0 HA HIS A 47 5.480 -3.967 5.887 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.740 -6.335 7.603 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.103 -5.258 7.835 1.00 1.00 H new ATOM 0 HD1 HIS A 47 3.141 -5.854 9.464 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.698 -2.350 7.741 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.960 -3.884 10.586 1.00 1.00 H new ATOM 718 N GLY A 48 5.329 -6.518 4.148 1.00 1.00 N ATOM 719 CA GLY A 48 6.042 -7.438 3.279 1.00 1.00 C ATOM 720 C GLY A 48 5.568 -7.304 1.830 1.00 1.00 C ATOM 721 O GLY A 48 5.383 -6.193 1.334 1.00 1.00 O ATOM 0 H GLY A 48 4.343 -6.392 3.919 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.113 -7.241 3.335 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.888 -8.461 3.622 1.00 1.00 H new ATOM 725 N LYS A 49 5.384 -8.450 1.192 1.00 1.00 N ATOM 726 CA LYS A 49 4.935 -8.475 -0.189 1.00 1.00 C ATOM 727 C LYS A 49 3.505 -7.936 -0.265 1.00 1.00 C ATOM 728 O LYS A 49 2.569 -8.686 -0.540 1.00 1.00 O ATOM 729 CB LYS A 49 5.096 -9.877 -0.780 1.00 1.00 C ATOM 730 CG LYS A 49 4.219 -10.888 -0.040 1.00 1.00 C ATOM 731 CD LYS A 49 4.681 -12.321 -0.315 1.00 1.00 C ATOM 732 CE LYS A 49 3.730 -13.336 0.321 1.00 1.00 C ATOM 733 NZ LYS A 49 4.431 -14.614 0.575 1.00 1.00 N ATOM 0 H LYS A 49 5.538 -9.369 1.607 1.00 1.00 H new ATOM 0 HA LYS A 49 5.556 -7.823 -0.803 1.00 1.00 H new ATOM 0 HB2 LYS A 49 4.829 -9.863 -1.837 1.00 1.00 H new ATOM 0 HB3 LYS A 49 6.140 -10.183 -0.720 1.00 1.00 H new ATOM 0 HG2 LYS A 49 4.255 -10.690 1.031 1.00 1.00 H new ATOM 0 HG3 LYS A 49 3.181 -10.771 -0.351 1.00 1.00 H new ATOM 0 HD2 LYS A 49 4.732 -12.490 -1.391 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.687 -12.464 0.079 1.00 1.00 H new ATOM 0 HE2 LYS A 49 3.336 -12.938 1.256 1.00 1.00 H new ATOM 0 HE3 LYS A 49 2.878 -13.506 -0.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 3.771 -15.292 1.007 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 4.785 -15.000 -0.323 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 5.230 -14.449 1.220 1.00 1.00 H new ATOM 746 N GLY A 50 3.381 -6.640 -0.018 1.00 1.00 N ATOM 747 CA GLY A 50 2.081 -5.992 -0.055 1.00 1.00 C ATOM 748 C GLY A 50 2.224 -4.490 -0.308 1.00 1.00 C ATOM 749 O GLY A 50 1.521 -3.929 -1.147 1.00 1.00 O ATOM 0 H GLY A 50 4.160 -6.021 0.209 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.470 -6.440 -0.839 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.561 -6.158 0.889 1.00 1.00 H new ATOM 753 N CYS A 51 3.138 -3.882 0.433 1.00 1.00 N ATOM 754 CA CYS A 51 3.382 -2.456 0.299 1.00 1.00 C ATOM 755 C CYS A 51 4.890 -2.215 0.400 1.00 1.00 C ATOM 756 O CYS A 51 5.482 -1.592 -0.480 1.00 1.00 O ATOM 757 CB CYS A 51 2.605 -1.649 1.341 1.00 1.00 C ATOM 758 SG CYS A 51 0.810 -1.999 1.401 1.00 1.00 S ATOM 0 H CYS A 51 3.719 -4.351 1.128 1.00 1.00 H new ATOM 0 HA CYS A 51 3.024 -2.113 -0.672 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.032 -1.845 2.324 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.747 -0.588 1.138 1.00 1.00 H new ATOM 763 N LYS A 52 5.467 -2.722 1.479 1.00 1.00 N ATOM 764 CA LYS A 52 6.894 -2.570 1.706 1.00 1.00 C ATOM 765 C LYS A 52 7.662 -3.384 0.662 1.00 1.00 C ATOM 766 O LYS A 52 8.576 -2.872 0.019 1.00 1.00 O ATOM 767 CB LYS A 52 7.249 -2.930 3.150 1.00 1.00 C ATOM 768 CG LYS A 52 7.961 -1.768 3.846 1.00 1.00 C ATOM 769 CD LYS A 52 9.474 -1.843 3.629 1.00 1.00 C ATOM 770 CE LYS A 52 10.120 -2.820 4.613 1.00 1.00 C ATOM 771 NZ LYS A 52 10.685 -3.983 3.893 1.00 1.00 N ATOM 0 H LYS A 52 4.972 -3.239 2.206 1.00 1.00 H new ATOM 0 HA LYS A 52 7.191 -1.529 1.580 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.342 -3.186 3.698 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.889 -3.813 3.162 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.581 -0.821 3.461 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.742 -1.789 4.913 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.683 -2.159 2.607 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.913 -0.853 3.753 1.00 1.00 H new ATOM 0 HE2 LYS A 52 10.907 -2.314 5.173 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.380 -3.158 5.338 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 10.998 -4.698 4.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 9.958 -4.393 3.272 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.497 -3.676 3.320 1.00 1.00 H new ATOM 784 N GLY A 53 7.261 -4.640 0.526 1.00 1.00 N ATOM 785 CA GLY A 53 7.899 -5.530 -0.428 1.00 1.00 C ATOM 786 C GLY A 53 8.277 -4.782 -1.708 1.00 1.00 C ATOM 787 O GLY A 53 9.407 -4.887 -2.182 1.00 1.00 O ATOM 0 H GLY A 53 6.502 -5.062 1.061 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.792 -5.968 0.019 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.226 -6.353 -0.669 1.00 1.00 H new ATOM 791 N CYS A 54 7.310 -4.043 -2.231 1.00 1.00 N ATOM 792 CA CYS A 54 7.526 -3.278 -3.447 1.00 1.00 C ATOM 793 C CYS A 54 8.411 -2.077 -3.107 1.00 1.00 C ATOM 794 O CYS A 54 9.321 -1.738 -3.862 1.00 1.00 O ATOM 795 CB CYS A 54 6.205 -2.850 -4.089 1.00 1.00 C ATOM 796 SG CYS A 54 6.516 -2.146 -5.749 1.00 1.00 S ATOM 0 H CYS A 54 6.374 -3.958 -1.834 1.00 1.00 H new ATOM 0 HA CYS A 54 8.028 -3.901 -4.187 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.535 -3.706 -4.168 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.707 -2.112 -3.459 1.00 1.00 H new ATOM 801 N HIS A 55 8.113 -1.465 -1.970 1.00 1.00 N ATOM 802 CA HIS A 55 8.870 -0.309 -1.521 1.00 1.00 C ATOM 803 C HIS A 55 10.342 -0.692 -1.358 1.00 1.00 C ATOM 804 O HIS A 55 11.228 0.023 -1.825 1.00 1.00 O ATOM 805 CB HIS A 55 8.263 0.275 -0.243 1.00 1.00 C ATOM 806 CG HIS A 55 6.880 0.850 -0.427 1.00 1.00 C ATOM 807 ND1 HIS A 55 6.002 1.044 0.625 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.232 1.272 -1.551 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.880 1.560 0.145 1.00 1.00 C ATOM 810 NE2 HIS A 55 5.024 1.700 -1.204 1.00 1.00 N ATOM 0 H HIS A 55 7.357 -1.748 -1.346 1.00 1.00 H new ATOM 0 HA HIS A 55 8.817 0.480 -2.272 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.223 -0.505 0.517 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.922 1.056 0.136 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.187 0.827 1.604 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.634 1.260 -2.553 1.00 1.00 H new ATOM 0 HE1 HIS A 55 4.005 1.823 0.721 1.00 1.00 H new ATOM 818 N GLU A 56 10.558 -1.817 -0.694 1.00 1.00 N ATOM 819 CA GLU A 56 11.907 -2.303 -0.463 1.00 1.00 C ATOM 820 C GLU A 56 12.467 -2.942 -1.736 1.00 1.00 C ATOM 821 O GLU A 56 13.679 -2.967 -1.942 1.00 1.00 O ATOM 822 CB GLU A 56 11.943 -3.290 0.706 1.00 1.00 C ATOM 823 CG GLU A 56 10.749 -4.246 0.653 1.00 1.00 C ATOM 824 CD GLU A 56 11.171 -5.670 1.019 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.019 -6.591 0.203 1.00 1.00 O ATOM 826 OE2 GLU A 56 11.674 -5.803 2.200 1.00 1.00 O ATOM 0 H GLU A 56 9.821 -2.407 -0.308 1.00 1.00 H new ATOM 0 HA GLU A 56 12.537 -1.454 -0.198 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.872 -3.860 0.677 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.934 -2.743 1.649 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.974 -3.905 1.340 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.315 -4.237 -0.347 1.00 1.00 H new ATOM 834 N GLU A 57 11.556 -3.442 -2.559 1.00 1.00 N ATOM 835 CA GLU A 57 11.943 -4.078 -3.806 1.00 1.00 C ATOM 836 C GLU A 57 12.318 -3.022 -4.847 1.00 1.00 C ATOM 837 O GLU A 57 13.280 -3.195 -5.593 1.00 1.00 O ATOM 838 CB GLU A 57 10.829 -4.989 -4.326 1.00 1.00 C ATOM 839 CG GLU A 57 11.167 -5.531 -5.716 1.00 1.00 C ATOM 840 CD GLU A 57 9.897 -5.901 -6.484 1.00 1.00 C ATOM 841 OE1 GLU A 57 8.991 -5.065 -6.624 1.00 1.00 O ATOM 842 OE2 GLU A 57 9.870 -7.105 -6.947 1.00 1.00 O ATOM 0 H GLU A 57 10.551 -3.419 -2.386 1.00 1.00 H new ATOM 0 HA GLU A 57 12.818 -4.700 -3.617 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.681 -5.819 -3.635 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.891 -4.436 -4.366 1.00 1.00 H new ATOM 0 HG2 GLU A 57 11.729 -4.783 -6.275 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.808 -6.408 -5.622 1.00 1.00 H new ATOM 850 N MET A 58 11.538 -1.951 -4.864 1.00 1.00 N ATOM 851 CA MET A 58 11.776 -0.866 -5.801 1.00 1.00 C ATOM 852 C MET A 58 12.710 0.185 -5.198 1.00 1.00 C ATOM 853 O MET A 58 13.624 0.665 -5.866 1.00 1.00 O ATOM 854 CB MET A 58 10.444 -0.212 -6.174 1.00 1.00 C ATOM 855 CG MET A 58 9.587 -1.157 -7.019 1.00 1.00 C ATOM 856 SD MET A 58 8.511 -0.214 -8.086 1.00 1.00 S ATOM 857 CE MET A 58 8.853 -1.006 -9.649 1.00 1.00 C ATOM 0 H MET A 58 10.740 -1.811 -4.244 1.00 1.00 H new ATOM 0 HA MET A 58 12.251 -1.278 -6.692 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.904 0.063 -5.268 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.629 0.709 -6.727 1.00 1.00 H new ATOM 0 HG2 MET A 58 10.227 -1.806 -7.616 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.995 -1.803 -6.370 1.00 1.00 H new ATOM 0 HE1 MET A 58 8.259 -0.536 -10.433 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.912 -0.903 -9.885 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.597 -2.064 -9.585 1.00 1.00 H new ATOM 867 N LYS A 59 12.448 0.511 -3.941 1.00 1.00 N ATOM 868 CA LYS A 59 13.254 1.496 -3.240 1.00 1.00 C ATOM 869 C LYS A 59 12.805 2.901 -3.649 1.00 1.00 C ATOM 870 O LYS A 59 13.629 3.738 -4.012 1.00 1.00 O ATOM 871 CB LYS A 59 14.743 1.234 -3.472 1.00 1.00 C ATOM 872 CG LYS A 59 15.075 -0.248 -3.286 1.00 1.00 C ATOM 873 CD LYS A 59 15.716 -0.499 -1.919 1.00 1.00 C ATOM 874 CE LYS A 59 17.186 -0.894 -2.068 1.00 1.00 C ATOM 875 NZ LYS A 59 18.067 0.213 -1.633 1.00 1.00 N ATOM 0 H LYS A 59 11.689 0.111 -3.390 1.00 1.00 H new ATOM 0 HA LYS A 59 13.104 1.414 -2.163 1.00 1.00 H new ATOM 0 HB2 LYS A 59 15.019 1.548 -4.479 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.334 1.832 -2.778 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.166 -0.843 -3.380 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.753 -0.574 -4.075 1.00 1.00 H new ATOM 0 HD2 LYS A 59 15.637 0.399 -1.306 1.00 1.00 H new ATOM 0 HD3 LYS A 59 15.174 -1.289 -1.399 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.391 -1.785 -1.474 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.397 -1.148 -3.107 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 19.061 -0.072 -1.741 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 17.882 1.054 -2.217 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 17.877 0.436 -0.635 1.00 1.00 H new ATOM 888 N LYS A 60 11.500 3.115 -3.577 1.00 1.00 N ATOM 889 CA LYS A 60 10.932 4.403 -3.936 1.00 1.00 C ATOM 890 C LYS A 60 9.912 4.819 -2.875 1.00 1.00 C ATOM 891 O LYS A 60 9.908 5.966 -2.428 1.00 1.00 O ATOM 892 CB LYS A 60 10.359 4.360 -5.355 1.00 1.00 C ATOM 893 CG LYS A 60 11.392 4.840 -6.377 1.00 1.00 C ATOM 894 CD LYS A 60 11.257 4.072 -7.694 1.00 1.00 C ATOM 895 CE LYS A 60 12.542 4.169 -8.519 1.00 1.00 C ATOM 896 NZ LYS A 60 12.430 5.247 -9.528 1.00 1.00 N ATOM 0 H LYS A 60 10.819 2.418 -3.275 1.00 1.00 H new ATOM 0 HA LYS A 60 11.707 5.169 -3.953 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.049 3.343 -5.596 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.468 4.986 -5.411 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.261 5.907 -6.559 1.00 1.00 H new ATOM 0 HG3 LYS A 60 12.396 4.706 -5.975 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.031 3.026 -7.488 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.421 4.471 -8.268 1.00 1.00 H new ATOM 0 HE2 LYS A 60 13.389 4.365 -7.862 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.736 3.218 -9.014 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 13.310 5.299 -10.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 11.634 5.044 -10.166 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 12.267 6.156 -9.049 1.00 1.00 H new ATOM 909 N GLY A 61 9.071 3.866 -2.500 1.00 1.00 N ATOM 910 CA GLY A 61 8.049 4.120 -1.499 1.00 1.00 C ATOM 911 C GLY A 61 8.659 4.187 -0.098 1.00 1.00 C ATOM 912 O GLY A 61 9.872 4.127 0.090 1.00 1.00 O ATOM 0 H GLY A 61 9.077 2.916 -2.872 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.540 5.058 -1.723 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.296 3.332 -1.535 1.00 1.00 H new ATOM 916 N PRO A 62 7.777 4.314 0.896 1.00 1.00 N ATOM 917 CA PRO A 62 8.132 4.395 2.297 1.00 1.00 C ATOM 918 C PRO A 62 8.534 3.017 2.802 1.00 1.00 C ATOM 919 O PRO A 62 7.884 2.038 2.438 1.00 1.00 O ATOM 920 CB PRO A 62 6.865 4.886 2.994 1.00 1.00 C ATOM 921 CG PRO A 62 5.756 4.182 2.105 1.00 1.00 C ATOM 922 CD PRO A 62 6.344 4.387 0.711 1.00 1.00 C ATOM 0 HA PRO A 62 8.975 5.060 2.484 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.819 4.575 4.038 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.779 5.973 2.981 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.634 3.127 2.352 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.778 4.650 2.215 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.996 3.620 0.019 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.048 5.350 0.295 1.00 1.00 H new ATOM 930 N THR A 63 9.578 2.964 3.615 1.00 1.00 N ATOM 931 CA THR A 63 10.045 1.697 4.153 1.00 1.00 C ATOM 932 C THR A 63 10.446 1.856 5.621 1.00 1.00 C ATOM 933 O THR A 63 11.345 1.168 6.100 1.00 1.00 O ATOM 934 CB THR A 63 11.183 1.197 3.262 1.00 1.00 C ATOM 935 OG1 THR A 63 11.827 2.388 2.819 1.00 1.00 O ATOM 936 CG2 THR A 63 10.676 0.546 1.974 1.00 1.00 C ATOM 0 H THR A 63 10.114 3.778 3.915 1.00 1.00 H new ATOM 0 HA THR A 63 9.254 0.948 4.145 1.00 1.00 H new ATOM 0 HB THR A 63 11.789 0.480 3.816 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.580 2.155 2.236 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.524 0.209 1.378 1.00 1.00 H new ATOM 0 HG22 THR A 63 10.045 -0.307 2.222 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.097 1.272 1.403 1.00 1.00 H new ATOM 944 N LYS A 64 9.759 2.768 6.293 1.00 1.00 N ATOM 945 CA LYS A 64 10.033 3.026 7.697 1.00 1.00 C ATOM 946 C LYS A 64 8.710 3.150 8.456 1.00 1.00 C ATOM 947 O LYS A 64 7.696 3.547 7.883 1.00 1.00 O ATOM 948 CB LYS A 64 10.946 4.244 7.850 1.00 1.00 C ATOM 949 CG LYS A 64 12.311 3.839 8.410 1.00 1.00 C ATOM 950 CD LYS A 64 12.221 3.534 9.906 1.00 1.00 C ATOM 951 CE LYS A 64 12.802 2.154 10.220 1.00 1.00 C ATOM 952 NZ LYS A 64 12.408 1.723 11.580 1.00 1.00 N ATOM 0 H LYS A 64 9.014 3.337 5.892 1.00 1.00 H new ATOM 0 HA LYS A 64 10.577 2.191 8.138 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.075 4.730 6.883 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.479 4.972 8.513 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.681 2.962 7.878 1.00 1.00 H new ATOM 0 HG3 LYS A 64 13.030 4.641 8.241 1.00 1.00 H new ATOM 0 HD2 LYS A 64 12.760 4.296 10.469 1.00 1.00 H new ATOM 0 HD3 LYS A 64 11.180 3.576 10.227 1.00 1.00 H new ATOM 0 HE2 LYS A 64 12.450 1.429 9.486 1.00 1.00 H new ATOM 0 HE3 LYS A 64 13.889 2.184 10.142 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 12.931 0.861 11.836 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 12.629 2.477 12.261 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 11.387 1.528 11.600 1.00 1.00 H new ATOM 965 N CYS A 65 8.762 2.801 9.733 1.00 1.00 N ATOM 966 CA CYS A 65 7.580 2.868 10.576 1.00 1.00 C ATOM 967 C CYS A 65 7.075 4.313 10.581 1.00 1.00 C ATOM 968 O CYS A 65 5.870 4.552 10.622 1.00 1.00 O ATOM 969 CB CYS A 65 7.865 2.358 11.990 1.00 1.00 C ATOM 970 SG CYS A 65 8.984 0.913 12.074 1.00 1.00 S ATOM 0 H CYS A 65 9.604 2.471 10.205 1.00 1.00 H new ATOM 0 HA CYS A 65 6.805 2.215 10.174 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.299 3.170 12.573 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.919 2.095 12.464 1.00 1.00 H new ATOM 975 N GLY A 66 8.023 5.238 10.539 1.00 1.00 N ATOM 976 CA GLY A 66 7.690 6.652 10.539 1.00 1.00 C ATOM 977 C GLY A 66 7.590 7.191 9.110 1.00 1.00 C ATOM 978 O GLY A 66 7.650 8.400 8.894 1.00 1.00 O ATOM 0 H GLY A 66 9.022 5.035 10.505 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.743 6.807 11.057 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.449 7.208 11.089 1.00 1.00 H new ATOM 982 N GLU A 67 7.439 6.267 8.172 1.00 1.00 N ATOM 983 CA GLU A 67 7.330 6.635 6.771 1.00 1.00 C ATOM 984 C GLU A 67 5.973 6.201 6.213 1.00 1.00 C ATOM 985 O GLU A 67 5.668 6.454 5.048 1.00 1.00 O ATOM 986 CB GLU A 67 8.476 6.033 5.956 1.00 1.00 C ATOM 987 CG GLU A 67 9.610 7.044 5.774 1.00 1.00 C ATOM 988 CD GLU A 67 10.730 6.462 4.908 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.511 5.472 4.195 1.00 1.00 O ATOM 990 OE2 GLU A 67 11.860 7.077 4.993 1.00 1.00 O ATOM 0 H GLU A 67 7.390 5.265 8.355 1.00 1.00 H new ATOM 0 HA GLU A 67 7.403 7.720 6.693 1.00 1.00 H new ATOM 0 HB2 GLU A 67 8.855 5.143 6.458 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.106 5.716 4.981 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.222 7.952 5.311 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.009 7.328 6.748 1.00 1.00 H new ATOM 998 N CYS A 68 5.195 5.556 7.069 1.00 1.00 N ATOM 999 CA CYS A 68 3.878 5.085 6.676 1.00 1.00 C ATOM 1000 C CYS A 68 2.873 5.522 7.744 1.00 1.00 C ATOM 1001 O CYS A 68 1.942 6.272 7.456 1.00 1.00 O ATOM 1002 CB CYS A 68 3.860 3.571 6.460 1.00 1.00 C ATOM 1003 SG CYS A 68 3.826 3.194 4.670 1.00 1.00 S ATOM 0 H CYS A 68 5.452 5.348 8.034 1.00 1.00 H new ATOM 0 HA CYS A 68 3.602 5.525 5.718 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.740 3.120 6.918 1.00 1.00 H new ATOM 0 HB3 CYS A 68 2.988 3.136 6.948 1.00 1.00 H new ATOM 1008 N HIS A 69 3.096 5.034 8.955 1.00 1.00 N ATOM 1009 CA HIS A 69 2.222 5.364 10.068 1.00 1.00 C ATOM 1010 C HIS A 69 2.473 6.808 10.507 1.00 1.00 C ATOM 1011 O HIS A 69 3.474 7.097 11.160 1.00 1.00 O ATOM 1012 CB HIS A 69 2.392 4.359 11.209 1.00 1.00 C ATOM 1013 CG HIS A 69 2.074 2.934 10.826 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.782 2.486 10.614 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.892 1.863 10.617 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.832 1.201 10.294 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.141 0.817 10.297 1.00 1.00 N ATOM 0 H HIS A 69 3.870 4.412 9.190 1.00 1.00 H new ATOM 0 HA HIS A 69 1.181 5.293 9.751 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.419 4.406 11.571 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.748 4.654 12.038 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.065 3.049 10.691 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.969 1.866 10.698 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.015 0.569 10.070 1.00 1.00 H new ATOM 1025 N LYS A 70 1.546 7.676 10.130 1.00 1.00 N ATOM 1026 CA LYS A 70 1.654 9.083 10.476 1.00 1.00 C ATOM 1027 C LYS A 70 0.254 9.655 10.710 1.00 1.00 C ATOM 1028 O LYS A 70 -0.525 9.804 9.770 1.00 1.00 O ATOM 1029 CB LYS A 70 2.456 9.837 9.413 1.00 1.00 C ATOM 1030 CG LYS A 70 2.396 11.347 9.649 1.00 1.00 C ATOM 1031 CD LYS A 70 2.575 12.115 8.338 1.00 1.00 C ATOM 1032 CE LYS A 70 4.012 11.999 7.826 1.00 1.00 C ATOM 1033 NZ LYS A 70 4.424 13.250 7.152 1.00 1.00 N ATOM 0 H LYS A 70 0.717 7.432 9.588 1.00 1.00 H new ATOM 0 HA LYS A 70 2.209 9.205 11.406 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.494 9.504 9.431 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.063 9.604 8.423 1.00 1.00 H new ATOM 0 HG2 LYS A 70 1.440 11.610 10.101 1.00 1.00 H new ATOM 0 HG3 LYS A 70 3.173 11.639 10.355 1.00 1.00 H new ATOM 0 HD2 LYS A 70 1.886 11.727 7.588 1.00 1.00 H new ATOM 0 HD3 LYS A 70 2.323 13.165 8.490 1.00 1.00 H new ATOM 0 HE2 LYS A 70 4.685 11.788 8.657 1.00 1.00 H new ATOM 0 HE3 LYS A 70 4.091 11.162 7.132 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 5.402 13.155 6.810 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 3.792 13.435 6.347 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 4.368 14.041 7.824 1.00 1.00 H new ATOM 1046 N LYS A 71 -0.023 9.961 11.969 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.315 10.514 12.339 1.00 1.00 C ATOM 1048 C LYS A 71 -1.543 11.820 11.575 1.00 1.00 C ATOM 1049 O LYS A 71 -2.674 12.142 11.213 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.419 10.663 13.858 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.474 11.705 14.235 1.00 1.00 C ATOM 1052 CD LYS A 71 -3.276 11.256 15.458 1.00 1.00 C ATOM 1053 CE LYS A 71 -2.566 11.651 16.755 1.00 1.00 C ATOM 1054 NZ LYS A 71 -3.473 12.435 17.624 1.00 1.00 N ATOM 0 H LYS A 71 0.626 9.836 12.746 1.00 1.00 H new ATOM 0 HA LYS A 71 -2.117 9.833 12.054 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -1.675 9.702 14.305 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.451 10.956 14.266 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -1.990 12.659 14.444 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -3.148 11.867 13.393 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -4.269 11.705 15.431 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -3.415 10.175 15.430 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -2.232 10.756 17.281 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -1.676 12.237 16.526 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -2.976 12.695 18.500 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -3.771 13.298 17.126 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -4.310 11.863 17.858 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -9.062 -0.727 -3.855 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.318 -0.020 -8.667 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.457 0.168 -8.913 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.200 -0.870 -4.088 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.539 -0.602 -5.156 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.923 -0.767 -5.533 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.997 -0.572 -6.866 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.660 -0.283 -7.328 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.214 -0.632 -7.743 1.00 1.00 C HETATM 1077 CAA HEM A 101 -12.038 -1.095 -4.583 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.656 0.125 -3.906 1.00 1.00 C HETATM 1079 CGA HEM A 101 -13.839 0.654 -4.703 1.00 1.00 C HETATM 1080 O1A HEM A 101 -14.613 -0.193 -5.200 1.00 1.00 O HETATM 1081 O2A HEM A 101 -13.948 1.895 -4.800 1.00 1.00 O HETATM 1082 C1B HEM A 101 -8.016 0.130 -9.134 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.676 0.474 -10.495 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.330 0.527 -10.566 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.822 0.216 -9.251 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.670 0.719 -11.592 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.479 0.845 -11.762 1.00 1.00 C HETATM 1088 CBB HEM A 101 -6.030 1.969 -12.634 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.929 -0.141 -7.569 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.542 -0.374 -7.245 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.485 -0.668 -5.929 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.837 -0.620 -5.424 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.406 -0.293 -8.223 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.272 -0.989 -5.105 1.00 1.00 C HETATM 1095 CBC HEM A 101 -0.102 -0.036 -5.325 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.509 -0.924 -3.623 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.874 -1.223 -2.258 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.222 -1.184 -2.191 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.705 -0.860 -3.512 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.902 -1.516 -1.154 1.00 1.00 C HETATM 1101 CAD HEM A 101 -8.094 -1.424 -0.993 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.756 -2.698 -0.224 1.00 1.00 C HETATM 1103 CGD HEM A 101 -6.985 -2.382 1.049 1.00 1.00 C HETATM 1104 O1D HEM A 101 -7.610 -1.801 1.962 1.00 1.00 O HETATM 1105 O2D HEM A 101 -5.784 -2.727 1.086 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.771 -0.304 -6.268 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.868 -0.027 -8.378 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.718 -0.295 -6.442 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.643 -0.703 -4.386 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.613 -0.388 -6.424 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -12.929 -1.340 -7.325 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -11.926 -0.955 -8.743 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.671 0.356 -7.799 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.565 0.123 -11.412 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.232 0.437 -12.549 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.936 1.776 -11.612 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.762 -0.563 -9.217 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.616 -0.981 -7.921 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -1.014 0.724 -8.242 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.323 -1.190 -0.203 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.969 -0.983 -1.340 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.707 -2.588 -1.116 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.490 2.280 -13.528 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.964 2.461 -12.363 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 0.828 -0.179 -4.776 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.196 0.789 -6.032 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -11.904 0.907 -3.803 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.981 -0.139 -2.900 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.661 -1.771 -3.816 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.817 -1.631 -5.125 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -7.165 -3.361 -0.855 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.674 -3.230 0.026 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.134 -1.473 -1.317 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -8.010 -0.572 -0.319 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.785 -0.721 -3.052 1.00 1.00 H new HETATM 0 HHB HEM A 101 -10.122 0.072 -9.382 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.741 0.373 -9.696 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.406 -1.031 -3.374 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.551 0.320 -11.987 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.231 -1.829 -4.411 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.291 5.524 -2.619 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.109 3.629 0.544 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.936 -0.474 -2.075 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.298 1.369 -5.159 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.410 5.367 -1.554 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.091 6.406 -0.604 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.209 5.884 0.274 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.973 4.516 -0.124 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.570 6.558 1.453 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.659 7.795 -0.628 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.696 8.427 -2.016 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.929 9.742 -2.040 1.00 1.00 C HETATM 1123 O1A HEM A 102 2.700 9.686 -1.820 1.00 1.00 O HETATM 1124 O2A HEM A 102 4.586 10.778 -2.278 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.783 2.355 0.091 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.834 1.481 0.739 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.784 0.343 0.016 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.701 0.500 -1.088 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.068 1.819 1.985 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.051 -0.878 0.271 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.487 -0.573 0.687 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.868 -0.354 -3.198 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.223 -1.391 -4.139 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.156 -0.873 -4.966 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.388 0.488 -4.545 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.636 -2.772 -4.157 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.847 -1.547 -6.116 1.00 1.00 C HETATM 1138 CBC HEM A 102 4.116 -2.777 -6.645 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.501 2.689 -4.772 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.189 3.674 -5.573 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.189 4.827 -4.872 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.501 4.568 -3.629 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.778 3.417 -6.930 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.778 6.149 -5.268 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.269 6.680 -6.605 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.353 6.610 -7.671 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.495 7.001 -7.346 1.00 1.00 O HETATM 1148 O2D HEM A 102 7.019 6.167 -8.791 1.00 1.00 O HETATM 1149 NA HEM A 102 3.717 4.208 -1.250 1.00 1.00 N HETATM 1150 NB HEM A 102 2.311 1.742 -1.032 1.00 1.00 N HETATM 1151 NC HEM A 102 3.591 0.797 -3.457 1.00 1.00 N HETATM 1152 ND HEM A 102 5.082 3.250 -3.578 1.00 1.00 N HETATM 1153 FE HEM A 102 3.815 2.507 -2.389 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.245 7.316 1.849 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.362 5.818 2.226 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.638 7.029 1.142 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.892 1.303 1.973 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.099 2.895 2.029 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.638 1.505 2.859 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.633 -3.153 -5.178 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.614 -2.738 -3.780 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.234 -3.430 -3.526 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.093 2.376 -6.999 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.640 4.067 -7.082 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 6.030 3.622 -7.696 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.179 -1.389 0.896 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.821 0.461 0.775 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.532 -3.341 -7.480 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 3.178 -3.092 -6.188 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.267 7.739 -2.744 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.730 8.600 -2.313 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.671 7.769 -0.225 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.068 8.429 0.033 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 5.936 7.711 -6.487 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.403 6.100 -6.924 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.863 6.052 -5.316 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.558 6.881 -4.491 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.853 6.445 -2.674 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.668 3.960 1.473 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.378 -1.395 -1.998 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.879 0.994 -5.988 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.334 -1.892 0.168 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.787 -1.189 -6.536 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.466 -2.140 10.444 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.595 -1.604 13.078 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.971 0.028 9.152 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.702 -0.019 6.634 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.439 -2.118 11.500 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.112 -2.487 12.858 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.236 -2.339 13.590 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.270 -1.878 12.694 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.423 -2.594 15.058 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.240 -2.944 13.322 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.213 -1.805 13.615 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.773 -1.913 15.026 1.00 1.00 C HETATM 1166 O1A HEM A 103 -3.107 -0.847 15.587 1.00 1.00 O HETATM 1167 O2A HEM A 103 -2.858 -3.060 15.517 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.602 -1.200 12.208 1.00 1.00 C HETATM 1169 C2B HEM A 103 6.008 -1.196 12.537 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.669 -0.744 11.451 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.679 -0.463 10.438 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.581 -1.624 13.857 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.148 -0.553 11.283 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.975 -1.795 11.603 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.972 0.143 8.047 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.204 0.803 6.784 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.028 0.817 6.122 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.056 0.167 6.970 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.525 1.354 6.332 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.737 1.389 4.765 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.690 0.910 3.673 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.765 -0.641 7.452 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.579 -0.971 7.042 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.183 -1.559 8.096 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.219 -1.599 9.170 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.155 -0.692 5.684 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.586 -2.086 8.182 1.00 1.00 C HETATM 1188 CBD HEM A 103 -2.999 -2.949 6.993 1.00 1.00 C HETATM 1189 CGD HEM A 103 -3.979 -2.211 6.093 1.00 1.00 C HETATM 1190 O1D HEM A 103 -3.724 -1.014 5.838 1.00 1.00 O HETATM 1191 O2D HEM A 103 -4.965 -2.857 5.677 1.00 1.00 O HETATM 1192 NA HEM A 103 1.769 -1.745 11.411 1.00 1.00 N HETATM 1193 NB HEM A 103 4.411 -0.747 10.914 1.00 1.00 N HETATM 1194 NC HEM A 103 3.648 -0.244 8.151 1.00 1.00 N HETATM 1195 ND HEM A 103 0.976 -1.032 8.763 1.00 1.00 N HETATM 1196 FE HEM A 103 2.768 -0.844 9.804 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.485 -2.410 15.582 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.193 -1.928 15.448 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.727 -3.629 15.212 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.858 -1.426 14.649 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.497 -1.067 14.054 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.804 -2.690 13.828 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.103 1.672 7.200 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.358 2.208 5.675 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.075 0.583 5.792 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.904 -1.447 5.444 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.360 -0.720 4.939 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.620 0.294 5.681 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 10.061 -1.765 11.513 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.480 -2.712 11.921 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.568 1.264 2.649 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.492 0.214 3.917 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.030 -1.825 12.894 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.705 -0.848 13.494 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.119 -3.546 14.223 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.674 -3.592 12.561 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.454 -3.872 7.351 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -2.116 -3.230 6.420 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -3.275 -1.245 8.264 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.688 -2.672 9.096 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.426 -2.605 10.615 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.848 -1.715 14.122 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.984 0.343 8.950 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.367 0.347 5.674 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.592 0.389 10.961 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.919 2.084 4.576 1.00 1.00 H new