USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 530 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 43 LYS NZ :NH3+ -176:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -0.0422 (180deg=-0.0422) 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 10 ASN : amide:sc= -0.414 K(o=-0.41,f=-2.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.183) USER MOD Single : A 21 GLN : amide:sc= -3.69! C(o=-3.7!,f=-12!) 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+ -149:sc= 0 (180deg=-0.0192) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -169:sc=-0.00302 (180deg=-0.222) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0548 USER MOD Single : A 64 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0709) 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= -2.07! (180deg=-2.07!) USER MOD Single : A 101 HEM CMB :methyl 150:sc= -6.38! (180deg=-6.38!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -3.12 (180deg=-7.11!) USER MOD Single : A 101 HEM CMD :methyl -30:sc= -0.254 (180deg=-1.82) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -1.99 (180deg=-1.99) USER MOD Single : A 102 HEM CMB :methyl -30:sc= -3.94 (180deg=-4.16!) USER MOD Single : A 102 HEM CMC :methyl -30:sc= -3.79! (180deg=-5.92!) USER MOD Single : A 102 HEM CMD :methyl 150:sc= -0.146 (180deg=-0.146) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.394 (180deg=-2.18) USER MOD Single : A 103 HEM CMC :methyl 150:sc= -6.92! (180deg=-6.92!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -2.18! (180deg=-2.18!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -1.080 14.449 -5.575 1.00 1.00 N ATOM 2 CA ALA A 1 -0.047 14.512 -6.595 1.00 1.00 C ATOM 3 C ALA A 1 0.744 13.202 -6.595 1.00 1.00 C ATOM 4 O ALA A 1 0.248 12.174 -7.052 1.00 1.00 O ATOM 5 CB ALA A 1 0.844 15.731 -6.345 1.00 1.00 C ATOM 0 H1 ALA A 1 -1.620 15.338 -5.572 1.00 1.00 H new ATOM 0 H2 ALA A 1 -1.721 13.656 -5.778 1.00 1.00 H new ATOM 0 H3 ALA A 1 -0.640 14.308 -4.643 1.00 1.00 H new ATOM 0 HA ALA A 1 -0.491 14.630 -7.584 1.00 1.00 H new ATOM 0 HB1 ALA A 1 1.619 15.778 -7.110 1.00 1.00 H new ATOM 0 HB2 ALA A 1 0.240 16.637 -6.384 1.00 1.00 H new ATOM 0 HB3 ALA A 1 1.309 15.647 -5.363 1.00 1.00 H new ATOM 11 N ASP A 2 1.961 13.283 -6.078 1.00 1.00 N ATOM 12 CA ASP A 2 2.826 12.117 -6.012 1.00 1.00 C ATOM 13 C ASP A 2 2.095 10.986 -5.287 1.00 1.00 C ATOM 14 O ASP A 2 2.416 9.813 -5.475 1.00 1.00 O ATOM 15 CB ASP A 2 4.108 12.425 -5.237 1.00 1.00 C ATOM 16 CG ASP A 2 4.827 13.708 -5.659 1.00 1.00 C ATOM 17 OD1 ASP A 2 4.206 14.645 -6.182 1.00 1.00 O ATOM 18 OD2 ASP A 2 6.096 13.723 -5.429 1.00 1.00 O ATOM 0 H ASP A 2 2.369 14.138 -5.701 1.00 1.00 H new ATOM 0 HA ASP A 2 3.082 11.829 -7.032 1.00 1.00 H new ATOM 0 HB2 ASP A 2 3.866 12.494 -4.177 1.00 1.00 H new ATOM 0 HB3 ASP A 2 4.795 11.587 -5.353 1.00 1.00 H new ATOM 24 N ASP A 3 1.125 11.377 -4.473 1.00 1.00 N ATOM 25 CA ASP A 3 0.346 10.410 -3.719 1.00 1.00 C ATOM 26 C ASP A 3 -0.407 9.498 -4.690 1.00 1.00 C ATOM 27 O ASP A 3 -0.245 9.611 -5.904 1.00 1.00 O ATOM 28 CB ASP A 3 -0.686 11.108 -2.829 1.00 1.00 C ATOM 29 CG ASP A 3 -1.182 10.280 -1.643 1.00 1.00 C ATOM 30 OD1 ASP A 3 -2.186 9.558 -1.742 1.00 1.00 O ATOM 31 OD2 ASP A 3 -0.482 10.398 -0.565 1.00 1.00 O ATOM 0 H ASP A 3 0.861 12.350 -4.319 1.00 1.00 H new ATOM 0 HA ASP A 3 1.032 9.837 -3.095 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -0.251 12.033 -2.450 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -1.543 11.387 -3.442 1.00 1.00 H new ATOM 37 N ILE A 4 -1.213 8.616 -4.119 1.00 1.00 N ATOM 38 CA ILE A 4 -1.991 7.685 -4.919 1.00 1.00 C ATOM 39 C ILE A 4 -3.232 7.258 -4.133 1.00 1.00 C ATOM 40 O ILE A 4 -3.131 6.863 -2.973 1.00 1.00 O ATOM 41 CB ILE A 4 -1.120 6.514 -5.377 1.00 1.00 C ATOM 42 CG1 ILE A 4 -0.062 6.977 -6.380 1.00 1.00 C ATOM 43 CG2 ILE A 4 -1.978 5.376 -5.934 1.00 1.00 C ATOM 44 CD1 ILE A 4 0.444 5.806 -7.224 1.00 1.00 C ATOM 0 H ILE A 4 -1.345 8.526 -3.112 1.00 1.00 H new ATOM 0 HA ILE A 4 -2.341 8.167 -5.832 1.00 1.00 H new ATOM 0 HB ILE A 4 -0.591 6.122 -4.508 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -0.483 7.743 -7.031 1.00 1.00 H new ATOM 0 HG13 ILE A 4 0.773 7.434 -5.848 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -1.333 4.557 -6.252 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -2.660 5.022 -5.161 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -2.553 5.738 -6.787 1.00 1.00 H new ATOM 0 HD11 ILE A 4 1.195 6.163 -7.929 1.00 1.00 H new ATOM 0 HD12 ILE A 4 0.887 5.053 -6.573 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -0.389 5.367 -7.773 1.00 1.00 H new ATOM 56 N VAL A 5 -4.375 7.351 -4.798 1.00 1.00 N ATOM 57 CA VAL A 5 -5.634 6.979 -4.176 1.00 1.00 C ATOM 58 C VAL A 5 -6.226 5.776 -4.913 1.00 1.00 C ATOM 59 O VAL A 5 -6.212 5.728 -6.142 1.00 1.00 O ATOM 60 CB VAL A 5 -6.578 8.183 -4.143 1.00 1.00 C ATOM 61 CG1 VAL A 5 -7.804 7.896 -3.274 1.00 1.00 C ATOM 62 CG2 VAL A 5 -5.847 9.439 -3.662 1.00 1.00 C ATOM 0 H VAL A 5 -4.455 7.678 -5.761 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.474 6.680 -3.140 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.924 8.365 -5.160 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.458 8.768 -3.268 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.344 7.040 -3.678 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -7.484 7.675 -2.256 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.540 10.280 -3.648 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -5.459 9.272 -2.657 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.021 9.661 -4.338 1.00 1.00 H new ATOM 72 N PHE A 6 -6.733 4.834 -4.131 1.00 1.00 N ATOM 73 CA PHE A 6 -7.328 3.634 -4.695 1.00 1.00 C ATOM 74 C PHE A 6 -8.810 3.533 -4.327 1.00 1.00 C ATOM 75 O PHE A 6 -9.151 3.262 -3.177 1.00 1.00 O ATOM 76 CB PHE A 6 -6.584 2.440 -4.094 1.00 1.00 C ATOM 77 CG PHE A 6 -5.128 2.321 -4.550 1.00 1.00 C ATOM 78 CD1 PHE A 6 -4.832 1.697 -5.721 1.00 1.00 C ATOM 79 CD2 PHE A 6 -4.131 2.839 -3.784 1.00 1.00 C ATOM 80 CE1 PHE A 6 -3.481 1.586 -6.145 1.00 1.00 C ATOM 81 CE2 PHE A 6 -2.780 2.729 -4.208 1.00 1.00 C ATOM 82 CZ PHE A 6 -2.483 2.104 -5.379 1.00 1.00 C ATOM 0 H PHE A 6 -6.744 4.877 -3.112 1.00 1.00 H new ATOM 0 HA PHE A 6 -7.251 3.656 -5.782 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -6.608 2.519 -3.007 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -7.113 1.525 -4.359 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -5.624 1.286 -6.329 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -4.366 3.334 -2.853 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -3.246 1.090 -7.075 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -1.988 3.142 -3.600 1.00 1.00 H new ATOM 0 HZ PHE A 6 -1.455 2.019 -5.701 1.00 1.00 H new ATOM 92 N LYS A 7 -9.651 3.757 -5.326 1.00 1.00 N ATOM 93 CA LYS A 7 -11.089 3.695 -5.123 1.00 1.00 C ATOM 94 C LYS A 7 -11.437 2.411 -4.366 1.00 1.00 C ATOM 95 O LYS A 7 -10.997 1.326 -4.742 1.00 1.00 O ATOM 96 CB LYS A 7 -11.825 3.842 -6.456 1.00 1.00 C ATOM 97 CG LYS A 7 -11.964 5.315 -6.846 1.00 1.00 C ATOM 98 CD LYS A 7 -13.389 5.815 -6.601 1.00 1.00 C ATOM 99 CE LYS A 7 -13.768 6.904 -7.607 1.00 1.00 C ATOM 100 NZ LYS A 7 -13.078 8.172 -7.282 1.00 1.00 N ATOM 0 H LYS A 7 -9.364 3.982 -6.279 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.424 4.530 -4.507 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -11.284 3.305 -7.235 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -12.813 3.387 -6.382 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -11.260 5.915 -6.270 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -11.706 5.442 -7.897 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -14.089 4.983 -6.679 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -13.472 6.207 -5.587 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -13.501 6.586 -8.615 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -14.847 7.057 -7.597 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -13.346 8.900 -7.974 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -13.353 8.483 -6.328 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -12.049 8.025 -7.315 1.00 1.00 H new ATOM 113 N ALA A 8 -12.224 2.579 -3.313 1.00 1.00 N ATOM 114 CA ALA A 8 -12.636 1.447 -2.500 1.00 1.00 C ATOM 115 C ALA A 8 -14.134 1.555 -2.206 1.00 1.00 C ATOM 116 O ALA A 8 -14.671 2.656 -2.098 1.00 1.00 O ATOM 117 CB ALA A 8 -11.793 1.401 -1.224 1.00 1.00 C ATOM 0 H ALA A 8 -12.587 3.481 -3.004 1.00 1.00 H new ATOM 0 HA ALA A 8 -12.471 0.511 -3.033 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -12.102 0.552 -0.614 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -10.740 1.295 -1.487 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -11.935 2.323 -0.661 1.00 1.00 H new ATOM 123 N LYS A 9 -14.766 0.396 -2.086 1.00 1.00 N ATOM 124 CA LYS A 9 -16.191 0.347 -1.806 1.00 1.00 C ATOM 125 C LYS A 9 -16.413 0.432 -0.295 1.00 1.00 C ATOM 126 O LYS A 9 -17.513 0.172 0.190 1.00 1.00 O ATOM 127 CB LYS A 9 -16.820 -0.889 -2.451 1.00 1.00 C ATOM 128 CG LYS A 9 -16.273 -1.110 -3.863 1.00 1.00 C ATOM 129 CD LYS A 9 -17.296 -1.833 -4.741 1.00 1.00 C ATOM 130 CE LYS A 9 -17.899 -0.881 -5.778 1.00 1.00 C ATOM 131 NZ LYS A 9 -18.365 -1.635 -6.963 1.00 1.00 N ATOM 0 H LYS A 9 -14.317 -0.515 -2.178 1.00 1.00 H new ATOM 0 HA LYS A 9 -16.697 1.204 -2.251 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -16.617 -1.767 -1.837 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -17.903 -0.771 -2.491 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -16.017 -0.150 -4.312 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -15.354 -1.694 -3.813 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -16.818 -2.672 -5.247 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -18.089 -2.246 -4.117 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -18.732 -0.334 -5.337 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -17.156 -0.143 -6.078 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -18.771 -0.975 -7.657 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -17.562 -2.138 -7.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -19.090 -2.323 -6.674 1.00 1.00 H new ATOM 144 N ASN A 10 -15.351 0.797 0.408 1.00 1.00 N ATOM 145 CA ASN A 10 -15.416 0.920 1.854 1.00 1.00 C ATOM 146 C ASN A 10 -14.527 2.082 2.303 1.00 1.00 C ATOM 147 O ASN A 10 -14.097 2.129 3.455 1.00 1.00 O ATOM 148 CB ASN A 10 -14.913 -0.352 2.538 1.00 1.00 C ATOM 149 CG ASN A 10 -15.966 -0.913 3.496 1.00 1.00 C ATOM 150 OD1 ASN A 10 -17.132 -0.556 3.456 1.00 1.00 O ATOM 151 ND2 ASN A 10 -15.492 -1.809 4.357 1.00 1.00 N ATOM 0 H ASN A 10 -14.440 1.012 0.003 1.00 1.00 H new ATOM 0 HA ASN A 10 -16.456 1.091 2.132 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -14.666 -1.100 1.785 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -13.996 -0.136 3.086 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -16.116 -2.242 5.038 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -14.504 -2.063 4.337 1.00 1.00 H new ATOM 158 N GLY A 11 -14.278 2.989 1.371 1.00 1.00 N ATOM 159 CA GLY A 11 -13.448 4.147 1.657 1.00 1.00 C ATOM 160 C GLY A 11 -12.136 4.089 0.873 1.00 1.00 C ATOM 161 O GLY A 11 -11.494 3.041 0.807 1.00 1.00 O ATOM 0 H GLY A 11 -14.636 2.946 0.417 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -13.989 5.058 1.401 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -13.236 4.192 2.725 1.00 1.00 H new ATOM 165 N ASP A 12 -11.776 5.227 0.297 1.00 1.00 N ATOM 166 CA ASP A 12 -10.552 5.318 -0.480 1.00 1.00 C ATOM 167 C ASP A 12 -9.367 4.897 0.391 1.00 1.00 C ATOM 168 O ASP A 12 -9.337 5.187 1.586 1.00 1.00 O ATOM 169 CB ASP A 12 -10.305 6.752 -0.953 1.00 1.00 C ATOM 170 CG ASP A 12 -10.392 6.957 -2.467 1.00 1.00 C ATOM 171 OD1 ASP A 12 -10.105 6.043 -3.253 1.00 1.00 O ATOM 172 OD2 ASP A 12 -10.779 8.131 -2.836 1.00 1.00 O ATOM 0 H ASP A 12 -12.311 6.094 0.353 1.00 1.00 H new ATOM 0 HA ASP A 12 -10.654 4.665 -1.347 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -11.030 7.408 -0.470 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -9.317 7.065 -0.615 1.00 1.00 H new ATOM 178 N VAL A 13 -8.419 4.220 -0.241 1.00 1.00 N ATOM 179 CA VAL A 13 -7.235 3.757 0.462 1.00 1.00 C ATOM 180 C VAL A 13 -6.020 4.557 -0.012 1.00 1.00 C ATOM 181 O VAL A 13 -5.437 4.251 -1.050 1.00 1.00 O ATOM 182 CB VAL A 13 -7.069 2.248 0.269 1.00 1.00 C ATOM 183 CG1 VAL A 13 -5.624 1.818 0.527 1.00 1.00 C ATOM 184 CG2 VAL A 13 -8.040 1.471 1.161 1.00 1.00 C ATOM 0 H VAL A 13 -8.447 3.981 -1.232 1.00 1.00 H new ATOM 0 HA VAL A 13 -7.337 3.925 1.534 1.00 1.00 H new ATOM 0 HB VAL A 13 -7.308 2.015 -0.769 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -5.534 0.741 0.383 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -4.961 2.334 -0.168 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -5.346 2.072 1.550 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -7.901 0.401 1.004 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -7.847 1.713 2.206 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -9.064 1.745 0.909 1.00 1.00 H new ATOM 194 N LYS A 14 -5.675 5.568 0.773 1.00 1.00 N ATOM 195 CA LYS A 14 -4.540 6.414 0.447 1.00 1.00 C ATOM 196 C LYS A 14 -3.245 5.630 0.666 1.00 1.00 C ATOM 197 O LYS A 14 -3.155 4.816 1.584 1.00 1.00 O ATOM 198 CB LYS A 14 -4.606 7.725 1.234 1.00 1.00 C ATOM 199 CG LYS A 14 -4.454 8.931 0.304 1.00 1.00 C ATOM 200 CD LYS A 14 -3.335 9.856 0.784 1.00 1.00 C ATOM 201 CE LYS A 14 -3.518 11.271 0.231 1.00 1.00 C ATOM 202 NZ LYS A 14 -2.698 12.237 0.996 1.00 1.00 N ATOM 0 H LYS A 14 -6.162 5.820 1.633 1.00 1.00 H new ATOM 0 HA LYS A 14 -4.566 6.698 -0.605 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -5.556 7.788 1.764 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -3.819 7.741 1.988 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -4.239 8.589 -0.708 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -5.393 9.482 0.261 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -3.325 9.886 1.874 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -2.370 9.460 0.467 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -3.233 11.296 -0.821 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -4.569 11.555 0.284 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -2.834 13.192 0.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -2.988 12.225 1.995 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -1.694 11.974 0.924 1.00 1.00 H new ATOM 215 N PHE A 15 -2.273 5.902 -0.193 1.00 1.00 N ATOM 216 CA PHE A 15 -0.987 5.232 -0.105 1.00 1.00 C ATOM 217 C PHE A 15 0.146 6.162 -0.545 1.00 1.00 C ATOM 218 O PHE A 15 0.301 6.493 -1.718 1.00 1.00 O ATOM 219 CB PHE A 15 -1.042 4.032 -1.052 1.00 1.00 C ATOM 220 CG PHE A 15 0.230 3.182 -1.055 1.00 1.00 C ATOM 221 CD1 PHE A 15 0.897 2.954 0.108 1.00 1.00 C ATOM 222 CD2 PHE A 15 0.694 2.656 -2.220 1.00 1.00 C ATOM 223 CE1 PHE A 15 2.079 2.165 0.106 1.00 1.00 C ATOM 224 CE2 PHE A 15 1.875 1.867 -2.222 1.00 1.00 C ATOM 225 CZ PHE A 15 2.542 1.639 -1.059 1.00 1.00 C ATOM 0 H PHE A 15 -2.351 6.577 -0.953 1.00 1.00 H new ATOM 0 HA PHE A 15 -0.795 4.929 0.924 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -1.887 3.402 -0.775 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -1.230 4.390 -2.064 1.00 1.00 H new ATOM 0 HD1 PHE A 15 0.529 3.372 1.033 1.00 1.00 H new ATOM 0 HD2 PHE A 15 0.165 2.838 -3.144 1.00 1.00 H new ATOM 0 HE1 PHE A 15 2.609 1.983 1.029 1.00 1.00 H new ATOM 0 HE2 PHE A 15 2.243 1.448 -3.147 1.00 1.00 H new ATOM 0 HZ PHE A 15 3.440 1.040 -1.061 1.00 1.00 H new ATOM 235 N PRO A 16 0.946 6.580 0.438 1.00 1.00 N ATOM 236 CA PRO A 16 2.079 7.460 0.250 1.00 1.00 C ATOM 237 C PRO A 16 3.123 6.771 -0.617 1.00 1.00 C ATOM 238 O PRO A 16 4.028 6.142 -0.069 1.00 1.00 O ATOM 239 CB PRO A 16 2.616 7.714 1.657 1.00 1.00 C ATOM 240 CG PRO A 16 1.550 7.284 2.608 1.00 1.00 C ATOM 241 CD PRO A 16 0.794 6.210 1.829 1.00 1.00 C ATOM 0 HA PRO A 16 1.814 8.391 -0.251 1.00 1.00 H new ATOM 0 HB2 PRO A 16 3.535 7.154 1.827 1.00 1.00 H new ATOM 0 HB3 PRO A 16 2.855 8.768 1.795 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.971 6.888 3.532 1.00 1.00 H new ATOM 0 HG3 PRO A 16 0.899 8.114 2.884 1.00 1.00 H new ATOM 0 HD2 PRO A 16 1.206 5.219 2.021 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.257 6.180 2.117 1.00 1.00 H new ATOM 249 N HIS A 17 2.983 6.895 -1.928 1.00 1.00 N ATOM 250 CA HIS A 17 3.924 6.274 -2.844 1.00 1.00 C ATOM 251 C HIS A 17 5.317 6.872 -2.632 1.00 1.00 C ATOM 252 O HIS A 17 6.281 6.144 -2.406 1.00 1.00 O ATOM 253 CB HIS A 17 3.439 6.399 -4.290 1.00 1.00 C ATOM 254 CG HIS A 17 4.168 5.502 -5.262 1.00 1.00 C ATOM 255 ND1 HIS A 17 5.125 5.973 -6.143 1.00 1.00 N ATOM 256 CD2 HIS A 17 4.070 4.159 -5.480 1.00 1.00 C ATOM 257 CE1 HIS A 17 5.575 4.951 -6.856 1.00 1.00 C ATOM 258 NE2 HIS A 17 4.920 3.828 -6.444 1.00 1.00 N ATOM 0 H HIS A 17 2.231 7.417 -2.378 1.00 1.00 H new ATOM 0 HA HIS A 17 3.989 5.206 -2.635 1.00 1.00 H new ATOM 0 HB2 HIS A 17 2.374 6.168 -4.327 1.00 1.00 H new ATOM 0 HB3 HIS A 17 3.552 7.434 -4.612 1.00 1.00 H new ATOM 0 HD1 HIS A 17 5.432 6.942 -6.229 1.00 1.00 H new ATOM 0 HD2 HIS A 17 3.412 3.480 -4.957 1.00 1.00 H new ATOM 0 HE1 HIS A 17 6.329 4.999 -7.628 1.00 1.00 H new ATOM 266 N LYS A 18 5.377 8.193 -2.713 1.00 1.00 N ATOM 267 CA LYS A 18 6.635 8.898 -2.534 1.00 1.00 C ATOM 268 C LYS A 18 7.160 8.642 -1.119 1.00 1.00 C ATOM 269 O LYS A 18 8.291 8.192 -0.945 1.00 1.00 O ATOM 270 CB LYS A 18 6.471 10.381 -2.870 1.00 1.00 C ATOM 271 CG LYS A 18 7.821 11.101 -2.849 1.00 1.00 C ATOM 272 CD LYS A 18 7.779 12.319 -1.924 1.00 1.00 C ATOM 273 CE LYS A 18 8.567 12.058 -0.638 1.00 1.00 C ATOM 274 NZ LYS A 18 7.654 11.990 0.525 1.00 1.00 N ATOM 0 H LYS A 18 4.574 8.794 -2.900 1.00 1.00 H new ATOM 0 HA LYS A 18 7.386 8.520 -3.227 1.00 1.00 H new ATOM 0 HB2 LYS A 18 6.014 10.486 -3.854 1.00 1.00 H new ATOM 0 HB3 LYS A 18 5.795 10.847 -2.153 1.00 1.00 H new ATOM 0 HG2 LYS A 18 8.599 10.414 -2.516 1.00 1.00 H new ATOM 0 HG3 LYS A 18 8.085 11.416 -3.859 1.00 1.00 H new ATOM 0 HD2 LYS A 18 8.193 13.186 -2.439 1.00 1.00 H new ATOM 0 HD3 LYS A 18 6.744 12.558 -1.679 1.00 1.00 H new ATOM 0 HE2 LYS A 18 9.121 11.124 -0.728 1.00 1.00 H new ATOM 0 HE3 LYS A 18 9.300 12.850 -0.487 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 8.158 11.584 1.339 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 7.325 12.947 0.764 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 6.837 11.392 0.290 1.00 1.00 H new ATOM 287 N ALA A 19 6.313 8.941 -0.145 1.00 1.00 N ATOM 288 CA ALA A 19 6.677 8.749 1.248 1.00 1.00 C ATOM 289 C ALA A 19 7.280 7.354 1.426 1.00 1.00 C ATOM 290 O ALA A 19 8.304 7.196 2.090 1.00 1.00 O ATOM 291 CB ALA A 19 5.449 8.970 2.133 1.00 1.00 C ATOM 0 H ALA A 19 5.376 9.315 -0.293 1.00 1.00 H new ATOM 0 HA ALA A 19 7.431 9.476 1.550 1.00 1.00 H new ATOM 0 HB1 ALA A 19 5.723 8.826 3.178 1.00 1.00 H new ATOM 0 HB2 ALA A 19 5.077 9.985 1.992 1.00 1.00 H new ATOM 0 HB3 ALA A 19 4.671 8.257 1.860 1.00 1.00 H new ATOM 297 N HIS A 20 6.620 6.378 0.821 1.00 1.00 N ATOM 298 CA HIS A 20 7.078 5.001 0.904 1.00 1.00 C ATOM 299 C HIS A 20 8.389 4.849 0.129 1.00 1.00 C ATOM 300 O HIS A 20 9.194 3.969 0.431 1.00 1.00 O ATOM 301 CB HIS A 20 5.991 4.037 0.424 1.00 1.00 C ATOM 302 CG HIS A 20 5.021 3.620 1.504 1.00 1.00 C ATOM 303 ND1 HIS A 20 3.953 4.407 1.896 1.00 1.00 N ATOM 304 CD2 HIS A 20 4.968 2.491 2.267 1.00 1.00 C ATOM 305 CE1 HIS A 20 3.294 3.772 2.854 1.00 1.00 C ATOM 306 NE2 HIS A 20 3.925 2.584 3.083 1.00 1.00 N ATOM 0 H HIS A 20 5.772 6.513 0.271 1.00 1.00 H new ATOM 0 HA HIS A 20 7.278 4.743 1.944 1.00 1.00 H new ATOM 0 HB2 HIS A 20 5.435 4.507 -0.388 1.00 1.00 H new ATOM 0 HB3 HIS A 20 6.465 3.146 0.012 1.00 1.00 H new ATOM 0 HD1 HIS A 20 3.713 5.321 1.512 1.00 1.00 H new ATOM 0 HD2 HIS A 20 5.658 1.662 2.216 1.00 1.00 H new ATOM 0 HE1 HIS A 20 2.412 4.131 3.364 1.00 1.00 H new ATOM 314 N GLN A 21 8.563 5.720 -0.854 1.00 1.00 N ATOM 315 CA GLN A 21 9.762 5.693 -1.674 1.00 1.00 C ATOM 316 C GLN A 21 10.965 6.192 -0.871 1.00 1.00 C ATOM 317 O GLN A 21 12.109 6.031 -1.295 1.00 1.00 O ATOM 318 CB GLN A 21 9.574 6.519 -2.948 1.00 1.00 C ATOM 319 CG GLN A 21 8.605 5.829 -3.910 1.00 1.00 C ATOM 320 CD GLN A 21 9.363 5.091 -5.016 1.00 1.00 C ATOM 321 OE1 GLN A 21 10.248 4.289 -4.769 1.00 1.00 O ATOM 322 NE2 GLN A 21 8.967 5.407 -6.246 1.00 1.00 N ATOM 0 H GLN A 21 7.894 6.449 -1.101 1.00 1.00 H new ATOM 0 HA GLN A 21 9.951 4.662 -1.973 1.00 1.00 H new ATOM 0 HB2 GLN A 21 9.195 7.508 -2.692 1.00 1.00 H new ATOM 0 HB3 GLN A 21 10.537 6.664 -3.438 1.00 1.00 H new ATOM 0 HG2 GLN A 21 7.980 5.125 -3.360 1.00 1.00 H new ATOM 0 HG3 GLN A 21 7.938 6.569 -4.353 1.00 1.00 H new ATOM 0 HE21 GLN A 21 8.219 6.087 -6.382 1.00 1.00 H new ATOM 0 HE22 GLN A 21 9.411 4.969 -7.053 1.00 1.00 H new ATOM 331 N LYS A 22 10.667 6.786 0.275 1.00 1.00 N ATOM 332 CA LYS A 22 11.709 7.309 1.141 1.00 1.00 C ATOM 333 C LYS A 22 11.864 6.392 2.356 1.00 1.00 C ATOM 334 O LYS A 22 12.920 6.363 2.986 1.00 1.00 O ATOM 335 CB LYS A 22 11.423 8.768 1.504 1.00 1.00 C ATOM 336 CG LYS A 22 12.677 9.629 1.342 1.00 1.00 C ATOM 337 CD LYS A 22 12.919 10.485 2.587 1.00 1.00 C ATOM 338 CE LYS A 22 13.200 11.940 2.205 1.00 1.00 C ATOM 339 NZ LYS A 22 13.136 12.810 3.401 1.00 1.00 N ATOM 0 H LYS A 22 9.718 6.917 0.624 1.00 1.00 H new ATOM 0 HA LYS A 22 12.667 7.316 0.622 1.00 1.00 H new ATOM 0 HB2 LYS A 22 10.627 9.155 0.868 1.00 1.00 H new ATOM 0 HB3 LYS A 22 11.067 8.828 2.532 1.00 1.00 H new ATOM 0 HG2 LYS A 22 13.541 8.989 1.163 1.00 1.00 H new ATOM 0 HG3 LYS A 22 12.570 10.273 0.469 1.00 1.00 H new ATOM 0 HD2 LYS A 22 12.047 10.438 3.240 1.00 1.00 H new ATOM 0 HD3 LYS A 22 13.761 10.084 3.151 1.00 1.00 H new ATOM 0 HE2 LYS A 22 14.184 12.018 1.743 1.00 1.00 H new ATOM 0 HE3 LYS A 22 12.473 12.275 1.465 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 13.329 13.794 3.125 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 12.188 12.749 3.825 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 13.846 12.499 4.095 1.00 1.00 H new ATOM 352 N ALA A 23 10.796 5.665 2.649 1.00 1.00 N ATOM 353 CA ALA A 23 10.800 4.750 3.777 1.00 1.00 C ATOM 354 C ALA A 23 11.387 3.408 3.337 1.00 1.00 C ATOM 355 O ALA A 23 12.279 2.871 3.994 1.00 1.00 O ATOM 356 CB ALA A 23 9.379 4.612 4.328 1.00 1.00 C ATOM 0 H ALA A 23 9.922 5.691 2.124 1.00 1.00 H new ATOM 0 HA ALA A 23 11.426 5.136 4.582 1.00 1.00 H new ATOM 0 HB1 ALA A 23 9.382 3.925 5.174 1.00 1.00 H new ATOM 0 HB2 ALA A 23 9.019 5.588 4.654 1.00 1.00 H new ATOM 0 HB3 ALA A 23 8.723 4.224 3.549 1.00 1.00 H new ATOM 362 N VAL A 24 10.865 2.904 2.229 1.00 1.00 N ATOM 363 CA VAL A 24 11.326 1.634 1.694 1.00 1.00 C ATOM 364 C VAL A 24 12.246 1.894 0.499 1.00 1.00 C ATOM 365 O VAL A 24 11.961 2.704 -0.380 1.00 1.00 O ATOM 366 CB VAL A 24 10.130 0.747 1.346 1.00 1.00 C ATOM 367 CG1 VAL A 24 10.590 -0.595 0.772 1.00 1.00 C ATOM 368 CG2 VAL A 24 9.226 0.542 2.563 1.00 1.00 C ATOM 0 H VAL A 24 10.127 3.352 1.686 1.00 1.00 H new ATOM 0 HA VAL A 24 11.907 1.093 2.441 1.00 1.00 H new ATOM 0 HB VAL A 24 9.548 1.257 0.579 1.00 1.00 H new ATOM 0 HG11 VAL A 24 9.720 -1.206 0.533 1.00 1.00 H new ATOM 0 HG12 VAL A 24 11.172 -0.423 -0.133 1.00 1.00 H new ATOM 0 HG13 VAL A 24 11.206 -1.113 1.507 1.00 1.00 H new ATOM 0 HG21 VAL A 24 8.383 -0.092 2.288 1.00 1.00 H new ATOM 0 HG22 VAL A 24 9.794 0.065 3.362 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.856 1.507 2.908 1.00 1.00 H new ATOM 378 N PRO A 25 13.372 1.177 0.487 1.00 1.00 N ATOM 379 CA PRO A 25 14.382 1.261 -0.546 1.00 1.00 C ATOM 380 C PRO A 25 13.977 0.390 -1.727 1.00 1.00 C ATOM 381 O PRO A 25 13.186 0.841 -2.553 1.00 1.00 O ATOM 382 CB PRO A 25 15.657 0.736 0.110 1.00 1.00 C ATOM 383 CG PRO A 25 15.096 -0.327 1.063 1.00 1.00 C ATOM 384 CD PRO A 25 13.739 0.215 1.505 1.00 1.00 C ATOM 0 HA PRO A 25 14.516 2.273 -0.928 1.00 1.00 H new ATOM 0 HB2 PRO A 25 16.348 0.311 -0.618 1.00 1.00 H new ATOM 0 HB3 PRO A 25 16.197 1.519 0.642 1.00 1.00 H new ATOM 0 HG2 PRO A 25 14.992 -1.290 0.563 1.00 1.00 H new ATOM 0 HG3 PRO A 25 15.757 -0.480 1.916 1.00 1.00 H new ATOM 0 HD2 PRO A 25 13.000 -0.583 1.579 1.00 1.00 H new ATOM 0 HD3 PRO A 25 13.802 0.684 2.487 1.00 1.00 H new ATOM 392 N ASP A 26 14.517 -0.818 -1.786 1.00 1.00 N ATOM 393 CA ASP A 26 14.199 -1.728 -2.874 1.00 1.00 C ATOM 394 C ASP A 26 12.702 -1.645 -3.181 1.00 1.00 C ATOM 395 O ASP A 26 11.871 -1.871 -2.303 1.00 1.00 O ATOM 396 CB ASP A 26 14.524 -3.174 -2.496 1.00 1.00 C ATOM 397 CG ASP A 26 14.174 -4.215 -3.561 1.00 1.00 C ATOM 398 OD1 ASP A 26 14.279 -3.954 -4.768 1.00 1.00 O ATOM 399 OD2 ASP A 26 13.773 -5.352 -3.101 1.00 1.00 O ATOM 0 H ASP A 26 15.173 -1.188 -1.098 1.00 1.00 H new ATOM 0 HA ASP A 26 14.795 -1.439 -3.740 1.00 1.00 H new ATOM 0 HB2 ASP A 26 15.589 -3.245 -2.276 1.00 1.00 H new ATOM 0 HB3 ASP A 26 13.991 -3.422 -1.578 1.00 1.00 H new ATOM 405 N CYS A 27 12.404 -1.319 -4.430 1.00 1.00 N ATOM 406 CA CYS A 27 11.022 -1.203 -4.864 1.00 1.00 C ATOM 407 C CYS A 27 10.536 -2.588 -5.295 1.00 1.00 C ATOM 408 O CYS A 27 9.335 -2.849 -5.316 1.00 1.00 O ATOM 409 CB CYS A 27 10.865 -0.169 -5.981 1.00 1.00 C ATOM 410 SG CYS A 27 11.361 1.533 -5.527 1.00 1.00 S ATOM 0 H CYS A 27 13.096 -1.131 -5.156 1.00 1.00 H new ATOM 0 HA CYS A 27 10.407 -0.845 -4.038 1.00 1.00 H new ATOM 0 HB2 CYS A 27 11.457 -0.488 -6.838 1.00 1.00 H new ATOM 0 HB3 CYS A 27 9.823 -0.156 -6.301 1.00 1.00 H new ATOM 415 N LYS A 28 11.495 -3.439 -5.628 1.00 1.00 N ATOM 416 CA LYS A 28 11.180 -4.791 -6.058 1.00 1.00 C ATOM 417 C LYS A 28 10.205 -5.423 -5.063 1.00 1.00 C ATOM 418 O LYS A 28 9.468 -6.345 -5.411 1.00 1.00 O ATOM 419 CB LYS A 28 12.462 -5.601 -6.262 1.00 1.00 C ATOM 420 CG LYS A 28 13.347 -4.965 -7.336 1.00 1.00 C ATOM 421 CD LYS A 28 13.526 -5.908 -8.528 1.00 1.00 C ATOM 422 CE LYS A 28 14.962 -6.432 -8.601 1.00 1.00 C ATOM 423 NZ LYS A 28 15.067 -7.513 -9.607 1.00 1.00 N ATOM 0 H LYS A 28 12.491 -3.219 -5.609 1.00 1.00 H new ATOM 0 HA LYS A 28 10.682 -4.776 -7.028 1.00 1.00 H new ATOM 0 HB2 LYS A 28 13.011 -5.662 -5.322 1.00 1.00 H new ATOM 0 HB3 LYS A 28 12.210 -6.621 -6.551 1.00 1.00 H new ATOM 0 HG2 LYS A 28 12.901 -4.029 -7.672 1.00 1.00 H new ATOM 0 HG3 LYS A 28 14.321 -4.720 -6.912 1.00 1.00 H new ATOM 0 HD2 LYS A 28 12.833 -6.745 -8.441 1.00 1.00 H new ATOM 0 HD3 LYS A 28 13.279 -5.384 -9.451 1.00 1.00 H new ATOM 0 HE2 LYS A 28 15.640 -5.619 -8.860 1.00 1.00 H new ATOM 0 HE3 LYS A 28 15.270 -6.805 -7.624 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 16.047 -7.858 -9.645 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 14.434 -8.295 -9.343 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 14.793 -7.146 -10.541 1.00 1.00 H new ATOM 436 N LYS A 29 10.232 -4.903 -3.845 1.00 1.00 N ATOM 437 CA LYS A 29 9.359 -5.405 -2.797 1.00 1.00 C ATOM 438 C LYS A 29 7.901 -5.206 -3.215 1.00 1.00 C ATOM 439 O LYS A 29 7.032 -5.992 -2.841 1.00 1.00 O ATOM 440 CB LYS A 29 9.708 -4.760 -1.454 1.00 1.00 C ATOM 441 CG LYS A 29 11.054 -5.268 -0.935 1.00 1.00 C ATOM 442 CD LYS A 29 10.986 -6.760 -0.603 1.00 1.00 C ATOM 443 CE LYS A 29 11.699 -7.062 0.716 1.00 1.00 C ATOM 444 NZ LYS A 29 12.159 -8.468 0.748 1.00 1.00 N ATOM 0 H LYS A 29 10.845 -4.139 -3.560 1.00 1.00 H new ATOM 0 HA LYS A 29 9.507 -6.476 -2.658 1.00 1.00 H new ATOM 0 HB2 LYS A 29 9.743 -3.676 -1.565 1.00 1.00 H new ATOM 0 HB3 LYS A 29 8.927 -4.981 -0.727 1.00 1.00 H new ATOM 0 HG2 LYS A 29 11.826 -5.093 -1.684 1.00 1.00 H new ATOM 0 HG3 LYS A 29 11.340 -4.707 -0.046 1.00 1.00 H new ATOM 0 HD2 LYS A 29 9.944 -7.074 -0.538 1.00 1.00 H new ATOM 0 HD3 LYS A 29 11.443 -7.336 -1.408 1.00 1.00 H new ATOM 0 HE2 LYS A 29 12.550 -6.392 0.837 1.00 1.00 H new ATOM 0 HE3 LYS A 29 11.025 -6.875 1.552 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 12.641 -8.655 1.651 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 11.341 -9.103 0.654 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 12.819 -8.635 -0.038 1.00 1.00 H new ATOM 457 N CYS A 30 7.678 -4.151 -3.985 1.00 1.00 N ATOM 458 CA CYS A 30 6.340 -3.839 -4.457 1.00 1.00 C ATOM 459 C CYS A 30 6.303 -4.055 -5.972 1.00 1.00 C ATOM 460 O CYS A 30 5.295 -4.506 -6.514 1.00 1.00 O ATOM 461 CB CYS A 30 5.921 -2.418 -4.073 1.00 1.00 C ATOM 462 SG CYS A 30 5.817 -2.268 -2.252 1.00 1.00 S ATOM 0 H CYS A 30 8.402 -3.502 -4.294 1.00 1.00 H new ATOM 0 HA CYS A 30 5.619 -4.502 -3.978 1.00 1.00 H new ATOM 0 HB2 CYS A 30 6.641 -1.699 -4.465 1.00 1.00 H new ATOM 0 HB3 CYS A 30 4.956 -2.180 -4.522 1.00 1.00 H new ATOM 467 N HIS A 31 7.414 -3.722 -6.612 1.00 1.00 N ATOM 468 CA HIS A 31 7.521 -3.874 -8.053 1.00 1.00 C ATOM 469 C HIS A 31 8.530 -4.977 -8.380 1.00 1.00 C ATOM 470 O HIS A 31 9.554 -4.720 -9.011 1.00 1.00 O ATOM 471 CB HIS A 31 7.868 -2.539 -8.716 1.00 1.00 C ATOM 472 CG HIS A 31 6.842 -1.455 -8.487 1.00 1.00 C ATOM 473 ND1 HIS A 31 5.536 -1.552 -8.935 1.00 1.00 N ATOM 474 CD2 HIS A 31 6.943 -0.252 -7.852 1.00 1.00 C ATOM 475 CE1 HIS A 31 4.889 -0.451 -8.581 1.00 1.00 C ATOM 476 NE2 HIS A 31 5.763 0.354 -7.911 1.00 1.00 N ATOM 0 H HIS A 31 8.248 -3.348 -6.159 1.00 1.00 H new ATOM 0 HA HIS A 31 6.557 -4.178 -8.462 1.00 1.00 H new ATOM 0 HB2 HIS A 31 8.832 -2.198 -8.339 1.00 1.00 H new ATOM 0 HB3 HIS A 31 7.982 -2.696 -9.789 1.00 1.00 H new ATOM 0 HD1 HIS A 31 5.139 -2.338 -9.450 1.00 1.00 H new ATOM 0 HD2 HIS A 31 7.832 0.141 -7.381 1.00 1.00 H new ATOM 0 HE1 HIS A 31 3.852 -0.230 -8.787 1.00 1.00 H new ATOM 484 N GLU A 32 8.205 -6.182 -7.934 1.00 1.00 N ATOM 485 CA GLU A 32 9.070 -7.325 -8.171 1.00 1.00 C ATOM 486 C GLU A 32 9.281 -7.529 -9.672 1.00 1.00 C ATOM 487 O GLU A 32 10.388 -7.837 -10.111 1.00 1.00 O ATOM 488 CB GLU A 32 8.500 -8.587 -7.521 1.00 1.00 C ATOM 489 CG GLU A 32 7.067 -8.847 -7.990 1.00 1.00 C ATOM 490 CD GLU A 32 7.025 -9.970 -9.028 1.00 1.00 C ATOM 491 OE1 GLU A 32 7.922 -10.825 -9.052 1.00 1.00 O ATOM 492 OE2 GLU A 32 6.014 -9.935 -9.828 1.00 1.00 O ATOM 0 H GLU A 32 7.355 -6.391 -7.410 1.00 1.00 H new ATOM 0 HA GLU A 32 10.038 -7.125 -7.712 1.00 1.00 H new ATOM 0 HB2 GLU A 32 9.128 -9.443 -7.768 1.00 1.00 H new ATOM 0 HB3 GLU A 32 8.518 -8.481 -6.436 1.00 1.00 H new ATOM 0 HG2 GLU A 32 6.444 -9.113 -7.136 1.00 1.00 H new ATOM 0 HG3 GLU A 32 6.650 -7.936 -8.418 1.00 1.00 H new ATOM 500 N LYS A 33 8.201 -7.350 -10.419 1.00 1.00 N ATOM 501 CA LYS A 33 8.254 -7.510 -11.862 1.00 1.00 C ATOM 502 C LYS A 33 8.556 -6.158 -12.511 1.00 1.00 C ATOM 503 O LYS A 33 8.029 -5.846 -13.577 1.00 1.00 O ATOM 504 CB LYS A 33 6.971 -8.166 -12.376 1.00 1.00 C ATOM 505 CG LYS A 33 5.841 -7.141 -12.495 1.00 1.00 C ATOM 506 CD LYS A 33 5.353 -7.029 -13.941 1.00 1.00 C ATOM 507 CE LYS A 33 3.990 -6.336 -14.007 1.00 1.00 C ATOM 508 NZ LYS A 33 4.119 -4.997 -14.624 1.00 1.00 N ATOM 0 H LYS A 33 7.284 -7.096 -10.052 1.00 1.00 H new ATOM 0 HA LYS A 33 9.063 -8.185 -12.140 1.00 1.00 H new ATOM 0 HB2 LYS A 33 7.156 -8.623 -13.348 1.00 1.00 H new ATOM 0 HB3 LYS A 33 6.671 -8.966 -11.699 1.00 1.00 H new ATOM 0 HG2 LYS A 33 5.012 -7.431 -11.849 1.00 1.00 H new ATOM 0 HG3 LYS A 33 6.190 -6.168 -12.149 1.00 1.00 H new ATOM 0 HD2 LYS A 33 6.079 -6.469 -14.531 1.00 1.00 H new ATOM 0 HD3 LYS A 33 5.282 -8.023 -14.383 1.00 1.00 H new ATOM 0 HE2 LYS A 33 3.294 -6.944 -14.585 1.00 1.00 H new ATOM 0 HE3 LYS A 33 3.574 -6.242 -13.004 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 3.404 -4.359 -14.221 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 5.068 -4.617 -14.434 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 3.976 -5.073 -15.651 1.00 1.00 H new ATOM 521 N GLY A 34 9.403 -5.392 -11.839 1.00 1.00 N ATOM 522 CA GLY A 34 9.781 -4.080 -12.337 1.00 1.00 C ATOM 523 C GLY A 34 8.690 -3.048 -12.047 1.00 1.00 C ATOM 524 O GLY A 34 7.519 -3.371 -11.861 1.00 1.00 O ATOM 0 H GLY A 34 9.838 -5.654 -10.955 1.00 1.00 H new ATOM 0 HA2 GLY A 34 10.716 -3.766 -11.873 1.00 1.00 H new ATOM 0 HA3 GLY A 34 9.961 -4.133 -13.411 1.00 1.00 H new ATOM 528 N PRO A 35 9.108 -1.780 -12.011 1.00 1.00 N ATOM 529 CA PRO A 35 8.247 -0.645 -11.756 1.00 1.00 C ATOM 530 C PRO A 35 7.025 -0.717 -12.660 1.00 1.00 C ATOM 531 O PRO A 35 7.053 -1.461 -13.639 1.00 1.00 O ATOM 532 CB PRO A 35 9.102 0.577 -12.087 1.00 1.00 C ATOM 533 CG PRO A 35 10.375 0.025 -12.849 1.00 1.00 C ATOM 534 CD PRO A 35 10.477 -1.365 -12.225 1.00 1.00 C ATOM 0 HA PRO A 35 7.881 -0.612 -10.730 1.00 1.00 H new ATOM 0 HB2 PRO A 35 8.550 1.282 -12.709 1.00 1.00 H new ATOM 0 HB3 PRO A 35 9.390 1.109 -11.180 1.00 1.00 H new ATOM 0 HG2 PRO A 35 10.230 -0.013 -13.929 1.00 1.00 H new ATOM 0 HG3 PRO A 35 11.264 0.629 -12.667 1.00 1.00 H new ATOM 0 HD2 PRO A 35 11.001 -2.057 -12.885 1.00 1.00 H new ATOM 0 HD3 PRO A 35 11.032 -1.337 -11.287 1.00 1.00 H new ATOM 542 N GLY A 36 5.992 0.042 -12.324 1.00 1.00 N ATOM 543 CA GLY A 36 4.776 0.046 -13.119 1.00 1.00 C ATOM 544 C GLY A 36 3.563 -0.338 -12.269 1.00 1.00 C ATOM 545 O GLY A 36 3.576 -0.167 -11.051 1.00 1.00 O ATOM 0 H GLY A 36 5.972 0.659 -11.512 1.00 1.00 H new ATOM 0 HA2 GLY A 36 4.623 1.035 -13.551 1.00 1.00 H new ATOM 0 HA3 GLY A 36 4.878 -0.652 -13.950 1.00 1.00 H new ATOM 549 N LYS A 37 2.545 -0.850 -12.944 1.00 1.00 N ATOM 550 CA LYS A 37 1.327 -1.260 -12.266 1.00 1.00 C ATOM 551 C LYS A 37 1.499 -2.684 -11.735 1.00 1.00 C ATOM 552 O LYS A 37 2.472 -3.360 -12.064 1.00 1.00 O ATOM 553 CB LYS A 37 0.117 -1.088 -13.187 1.00 1.00 C ATOM 554 CG LYS A 37 -0.050 -2.302 -14.104 1.00 1.00 C ATOM 555 CD LYS A 37 1.069 -2.360 -15.146 1.00 1.00 C ATOM 556 CE LYS A 37 0.635 -3.166 -16.372 1.00 1.00 C ATOM 557 NZ LYS A 37 1.009 -2.457 -17.616 1.00 1.00 N ATOM 0 H LYS A 37 2.538 -0.990 -13.954 1.00 1.00 H new ATOM 0 HA LYS A 37 1.136 -0.620 -11.405 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.784 -0.953 -12.589 1.00 1.00 H new ATOM 0 HB3 LYS A 37 0.238 -0.187 -13.788 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.045 -3.215 -13.509 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.017 -2.253 -14.605 1.00 1.00 H new ATOM 0 HD2 LYS A 37 1.342 -1.349 -15.449 1.00 1.00 H new ATOM 0 HD3 LYS A 37 1.958 -2.811 -14.706 1.00 1.00 H new ATOM 0 HE2 LYS A 37 1.103 -4.150 -16.352 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -0.443 -3.325 -16.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 0.708 -3.017 -18.439 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 0.542 -1.528 -17.640 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 2.040 -2.327 -17.645 1.00 1.00 H new ATOM 570 N ILE A 38 0.538 -3.098 -10.922 1.00 1.00 N ATOM 571 CA ILE A 38 0.571 -4.430 -10.342 1.00 1.00 C ATOM 572 C ILE A 38 -0.636 -5.228 -10.840 1.00 1.00 C ATOM 573 O ILE A 38 -1.747 -5.055 -10.342 1.00 1.00 O ATOM 574 CB ILE A 38 0.668 -4.348 -8.817 1.00 1.00 C ATOM 575 CG1 ILE A 38 1.935 -3.607 -8.387 1.00 1.00 C ATOM 576 CG2 ILE A 38 0.575 -5.739 -8.186 1.00 1.00 C ATOM 577 CD1 ILE A 38 1.847 -3.173 -6.923 1.00 1.00 C ATOM 0 H ILE A 38 -0.268 -2.535 -10.651 1.00 1.00 H new ATOM 0 HA ILE A 38 1.463 -4.965 -10.666 1.00 1.00 H new ATOM 0 HB ILE A 38 -0.182 -3.771 -8.451 1.00 1.00 H new ATOM 0 HG12 ILE A 38 2.803 -4.252 -8.527 1.00 1.00 H new ATOM 0 HG13 ILE A 38 2.082 -2.733 -9.021 1.00 1.00 H new ATOM 0 HG21 ILE A 38 0.647 -5.652 -7.102 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -0.378 -6.196 -8.451 1.00 1.00 H new ATOM 0 HG23 ILE A 38 1.390 -6.361 -8.555 1.00 1.00 H new ATOM 0 HD11 ILE A 38 2.761 -2.649 -6.643 1.00 1.00 H new ATOM 0 HD12 ILE A 38 0.993 -2.509 -6.791 1.00 1.00 H new ATOM 0 HD13 ILE A 38 1.725 -4.052 -6.290 1.00 1.00 H new ATOM 589 N GLU A 39 -0.376 -6.085 -11.816 1.00 1.00 N ATOM 590 CA GLU A 39 -1.427 -6.910 -12.387 1.00 1.00 C ATOM 591 C GLU A 39 -1.724 -8.100 -11.471 1.00 1.00 C ATOM 592 O GLU A 39 -1.733 -9.245 -11.920 1.00 1.00 O ATOM 593 CB GLU A 39 -1.052 -7.381 -13.793 1.00 1.00 C ATOM 594 CG GLU A 39 -1.356 -6.299 -14.832 1.00 1.00 C ATOM 595 CD GLU A 39 -2.241 -6.849 -15.953 1.00 1.00 C ATOM 596 OE1 GLU A 39 -3.327 -7.380 -15.681 1.00 1.00 O ATOM 597 OE2 GLU A 39 -1.763 -6.707 -17.143 1.00 1.00 O ATOM 0 H GLU A 39 0.547 -6.226 -12.226 1.00 1.00 H new ATOM 0 HA GLU A 39 -2.331 -6.306 -12.471 1.00 1.00 H new ATOM 0 HB2 GLU A 39 0.008 -7.634 -13.825 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -1.604 -8.289 -14.036 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -1.854 -5.457 -14.351 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -0.424 -5.921 -15.252 1.00 1.00 H new ATOM 605 N GLY A 40 -1.959 -7.788 -10.205 1.00 1.00 N ATOM 606 CA GLY A 40 -2.254 -8.817 -9.223 1.00 1.00 C ATOM 607 C GLY A 40 -2.419 -8.212 -7.828 1.00 1.00 C ATOM 608 O GLY A 40 -2.045 -8.829 -6.831 1.00 1.00 O ATOM 0 H GLY A 40 -1.951 -6.837 -9.837 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -3.166 -9.343 -9.505 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -1.451 -9.554 -9.211 1.00 1.00 H new ATOM 612 N PHE A 41 -2.980 -7.012 -7.800 1.00 1.00 N ATOM 613 CA PHE A 41 -3.199 -6.317 -6.543 1.00 1.00 C ATOM 614 C PHE A 41 -4.643 -6.488 -6.067 1.00 1.00 C ATOM 615 O PHE A 41 -5.491 -6.983 -6.807 1.00 1.00 O ATOM 616 CB PHE A 41 -2.932 -4.832 -6.801 1.00 1.00 C ATOM 617 CG PHE A 41 -3.029 -3.956 -5.550 1.00 1.00 C ATOM 618 CD1 PHE A 41 -2.087 -4.057 -4.575 1.00 1.00 C ATOM 619 CD2 PHE A 41 -4.057 -3.077 -5.414 1.00 1.00 C ATOM 620 CE1 PHE A 41 -2.177 -3.244 -3.414 1.00 1.00 C ATOM 621 CE2 PHE A 41 -4.147 -2.264 -4.253 1.00 1.00 C ATOM 622 CZ PHE A 41 -3.205 -2.365 -3.278 1.00 1.00 C ATOM 0 H PHE A 41 -3.290 -6.503 -8.628 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.541 -6.721 -5.774 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -1.937 -4.722 -7.233 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -3.644 -4.469 -7.543 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -1.270 -4.755 -4.683 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -4.805 -2.997 -6.189 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -1.429 -3.324 -2.639 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -4.964 -1.566 -4.145 1.00 1.00 H new ATOM 0 HZ PHE A 41 -3.273 -1.747 -2.395 1.00 1.00 H new ATOM 632 N GLY A 42 -4.878 -6.069 -4.832 1.00 1.00 N ATOM 633 CA GLY A 42 -6.204 -6.169 -4.247 1.00 1.00 C ATOM 634 C GLY A 42 -6.128 -6.638 -2.793 1.00 1.00 C ATOM 635 O GLY A 42 -5.068 -7.050 -2.324 1.00 1.00 O ATOM 0 H GLY A 42 -4.172 -5.659 -4.220 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -6.700 -5.200 -4.295 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.809 -6.866 -4.826 1.00 1.00 H new ATOM 639 N LYS A 43 -7.266 -6.558 -2.118 1.00 1.00 N ATOM 640 CA LYS A 43 -7.342 -6.969 -0.727 1.00 1.00 C ATOM 641 C LYS A 43 -6.349 -8.106 -0.480 1.00 1.00 C ATOM 642 O LYS A 43 -5.664 -8.127 0.542 1.00 1.00 O ATOM 643 CB LYS A 43 -8.783 -7.317 -0.348 1.00 1.00 C ATOM 644 CG LYS A 43 -9.568 -7.801 -1.569 1.00 1.00 C ATOM 645 CD LYS A 43 -10.496 -8.960 -1.200 1.00 1.00 C ATOM 646 CE LYS A 43 -11.562 -8.511 -0.198 1.00 1.00 C ATOM 647 NZ LYS A 43 -11.800 -9.566 0.812 1.00 1.00 N ATOM 0 H LYS A 43 -8.143 -6.214 -2.509 1.00 1.00 H new ATOM 0 HA LYS A 43 -7.055 -6.147 -0.071 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -8.784 -8.090 0.420 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -9.272 -6.442 0.080 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -10.153 -6.978 -1.979 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -8.876 -8.119 -2.348 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -10.976 -9.346 -2.099 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -9.913 -9.776 -0.774 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -11.243 -7.593 0.295 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -12.490 -8.285 -0.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.573 -9.274 1.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -12.060 -10.452 0.334 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -10.935 -9.714 1.370 1.00 1.00 H new ATOM 660 N GLU A 44 -6.301 -9.025 -1.434 1.00 1.00 N ATOM 661 CA GLU A 44 -5.404 -10.163 -1.333 1.00 1.00 C ATOM 662 C GLU A 44 -4.093 -9.747 -0.663 1.00 1.00 C ATOM 663 O GLU A 44 -3.866 -10.050 0.507 1.00 1.00 O ATOM 664 CB GLU A 44 -5.144 -10.780 -2.709 1.00 1.00 C ATOM 665 CG GLU A 44 -6.207 -11.827 -3.049 1.00 1.00 C ATOM 666 CD GLU A 44 -6.261 -12.083 -4.556 1.00 1.00 C ATOM 667 OE1 GLU A 44 -6.961 -11.362 -5.282 1.00 1.00 O ATOM 668 OE2 GLU A 44 -5.542 -13.072 -4.968 1.00 1.00 O ATOM 0 H GLU A 44 -6.869 -9.004 -2.281 1.00 1.00 H new ATOM 0 HA GLU A 44 -5.881 -10.923 -0.714 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -5.143 -9.998 -3.468 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -4.156 -11.241 -2.724 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -5.987 -12.758 -2.526 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -7.182 -11.488 -2.699 1.00 1.00 H new ATOM 676 N MET A 45 -3.263 -9.058 -1.434 1.00 1.00 N ATOM 677 CA MET A 45 -1.981 -8.598 -0.929 1.00 1.00 C ATOM 678 C MET A 45 -2.162 -7.436 0.049 1.00 1.00 C ATOM 679 O MET A 45 -1.581 -7.437 1.133 1.00 1.00 O ATOM 680 CB MET A 45 -1.104 -8.148 -2.099 1.00 1.00 C ATOM 681 CG MET A 45 0.349 -8.581 -1.894 1.00 1.00 C ATOM 682 SD MET A 45 1.427 -7.625 -2.948 1.00 1.00 S ATOM 683 CE MET A 45 0.901 -8.218 -4.548 1.00 1.00 C ATOM 0 H MET A 45 -3.454 -8.808 -2.404 1.00 1.00 H new ATOM 0 HA MET A 45 -1.503 -9.422 -0.400 1.00 1.00 H new ATOM 0 HB2 MET A 45 -1.486 -8.572 -3.028 1.00 1.00 H new ATOM 0 HB3 MET A 45 -1.153 -7.064 -2.199 1.00 1.00 H new ATOM 0 HG2 MET A 45 0.634 -8.445 -0.851 1.00 1.00 H new ATOM 0 HG3 MET A 45 0.456 -9.642 -2.118 1.00 1.00 H new ATOM 0 HE1 MET A 45 1.599 -7.874 -5.311 1.00 1.00 H new ATOM 0 HE2 MET A 45 0.878 -9.308 -4.542 1.00 1.00 H new ATOM 0 HE3 MET A 45 -0.095 -7.835 -4.769 1.00 1.00 H new ATOM 693 N ALA A 46 -2.970 -6.473 -0.368 1.00 1.00 N ATOM 694 CA ALA A 46 -3.235 -5.307 0.458 1.00 1.00 C ATOM 695 C ALA A 46 -3.512 -5.757 1.894 1.00 1.00 C ATOM 696 O ALA A 46 -3.301 -4.998 2.838 1.00 1.00 O ATOM 697 CB ALA A 46 -4.399 -4.512 -0.139 1.00 1.00 C ATOM 0 H ALA A 46 -3.450 -6.476 -1.268 1.00 1.00 H new ATOM 0 HA ALA A 46 -2.367 -4.647 0.481 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -4.598 -3.637 0.480 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -4.141 -4.191 -1.148 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -5.289 -5.141 -0.175 1.00 1.00 H new ATOM 703 N HIS A 47 -3.981 -6.991 2.013 1.00 1.00 N ATOM 704 CA HIS A 47 -4.288 -7.551 3.318 1.00 1.00 C ATOM 705 C HIS A 47 -3.151 -8.473 3.762 1.00 1.00 C ATOM 706 O HIS A 47 -2.560 -8.270 4.822 1.00 1.00 O ATOM 707 CB HIS A 47 -5.648 -8.254 3.301 1.00 1.00 C ATOM 708 CG HIS A 47 -6.809 -7.336 3.004 1.00 1.00 C ATOM 709 ND1 HIS A 47 -8.023 -7.795 2.523 1.00 1.00 N ATOM 710 CD2 HIS A 47 -6.930 -5.983 3.125 1.00 1.00 C ATOM 711 CE1 HIS A 47 -8.830 -6.756 2.365 1.00 1.00 C ATOM 712 NE2 HIS A 47 -8.151 -5.634 2.738 1.00 1.00 N ATOM 0 H HIS A 47 -4.156 -7.618 1.228 1.00 1.00 H new ATOM 0 HA HIS A 47 -4.367 -6.749 4.052 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -5.626 -9.048 2.555 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -5.812 -8.730 4.268 1.00 1.00 H new ATOM 0 HD1 HIS A 47 -8.257 -8.768 2.324 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -6.162 -5.309 3.476 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -9.847 -6.792 2.004 1.00 1.00 H new ATOM 720 N GLY A 48 -2.877 -9.466 2.929 1.00 1.00 N ATOM 721 CA GLY A 48 -1.820 -10.419 3.222 1.00 1.00 C ATOM 722 C GLY A 48 -0.472 -9.712 3.380 1.00 1.00 C ATOM 723 O GLY A 48 -0.408 -8.599 3.898 1.00 1.00 O ATOM 0 H GLY A 48 -3.369 -9.631 2.051 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -2.059 -10.963 4.136 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -1.757 -11.155 2.421 1.00 1.00 H new ATOM 727 N LYS A 49 0.572 -10.389 2.924 1.00 1.00 N ATOM 728 CA LYS A 49 1.914 -9.840 3.009 1.00 1.00 C ATOM 729 C LYS A 49 2.115 -8.822 1.885 1.00 1.00 C ATOM 730 O LYS A 49 3.074 -8.918 1.120 1.00 1.00 O ATOM 731 CB LYS A 49 2.953 -10.963 3.014 1.00 1.00 C ATOM 732 CG LYS A 49 3.372 -11.316 4.443 1.00 1.00 C ATOM 733 CD LYS A 49 4.579 -12.255 4.445 1.00 1.00 C ATOM 734 CE LYS A 49 5.877 -11.481 4.683 1.00 1.00 C ATOM 735 NZ LYS A 49 6.271 -11.554 6.107 1.00 1.00 N ATOM 0 H LYS A 49 0.515 -11.312 2.495 1.00 1.00 H new ATOM 0 HA LYS A 49 2.049 -9.308 3.951 1.00 1.00 H new ATOM 0 HB2 LYS A 49 2.542 -11.845 2.523 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.828 -10.657 2.440 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.615 -10.405 4.990 1.00 1.00 H new ATOM 0 HG3 LYS A 49 2.539 -11.788 4.964 1.00 1.00 H new ATOM 0 HD2 LYS A 49 4.455 -13.011 5.221 1.00 1.00 H new ATOM 0 HD3 LYS A 49 4.635 -12.782 3.493 1.00 1.00 H new ATOM 0 HE2 LYS A 49 6.671 -11.891 4.059 1.00 1.00 H new ATOM 0 HE3 LYS A 49 5.745 -10.440 4.389 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 7.154 -11.023 6.251 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 5.520 -11.142 6.697 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 6.417 -12.548 6.376 1.00 1.00 H new ATOM 748 N GLY A 50 1.196 -7.869 1.821 1.00 1.00 N ATOM 749 CA GLY A 50 1.261 -6.834 0.803 1.00 1.00 C ATOM 750 C GLY A 50 1.553 -5.469 1.428 1.00 1.00 C ATOM 751 O GLY A 50 2.581 -4.857 1.139 1.00 1.00 O ATOM 0 H GLY A 50 0.403 -7.792 2.457 1.00 1.00 H new ATOM 0 HA2 GLY A 50 2.037 -7.080 0.078 1.00 1.00 H new ATOM 0 HA3 GLY A 50 0.318 -6.794 0.259 1.00 1.00 H new ATOM 755 N CYS A 51 0.631 -5.030 2.272 1.00 1.00 N ATOM 756 CA CYS A 51 0.776 -3.748 2.939 1.00 1.00 C ATOM 757 C CYS A 51 0.781 -3.991 4.450 1.00 1.00 C ATOM 758 O CYS A 51 1.694 -3.555 5.150 1.00 1.00 O ATOM 759 CB CYS A 51 -0.320 -2.765 2.523 1.00 1.00 C ATOM 760 SG CYS A 51 -0.596 -2.644 0.718 1.00 1.00 S ATOM 0 H CYS A 51 -0.220 -5.540 2.509 1.00 1.00 H new ATOM 0 HA CYS A 51 1.718 -3.286 2.642 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -1.254 -3.061 3.000 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -0.066 -1.776 2.905 1.00 1.00 H new ATOM 765 N LYS A 52 -0.250 -4.686 4.908 1.00 1.00 N ATOM 766 CA LYS A 52 -0.376 -4.992 6.323 1.00 1.00 C ATOM 767 C LYS A 52 0.820 -5.838 6.766 1.00 1.00 C ATOM 768 O LYS A 52 1.196 -5.821 7.937 1.00 1.00 O ATOM 769 CB LYS A 52 -1.730 -5.643 6.612 1.00 1.00 C ATOM 770 CG LYS A 52 -2.850 -4.944 5.839 1.00 1.00 C ATOM 771 CD LYS A 52 -4.117 -4.835 6.689 1.00 1.00 C ATOM 772 CE LYS A 52 -4.650 -6.220 7.060 1.00 1.00 C ATOM 773 NZ LYS A 52 -5.600 -6.124 8.191 1.00 1.00 N ATOM 0 H LYS A 52 -1.005 -5.046 4.325 1.00 1.00 H new ATOM 0 HA LYS A 52 -0.356 -4.076 6.914 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -1.697 -6.697 6.337 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -1.938 -5.598 7.681 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -2.523 -3.949 5.538 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -3.067 -5.498 4.926 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -3.903 -4.269 7.596 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -4.880 -4.283 6.141 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -5.145 -6.668 6.199 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -3.821 -6.875 7.328 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -5.952 -7.073 8.430 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -5.117 -5.716 9.017 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -6.399 -5.516 7.922 1.00 1.00 H new ATOM 786 N GLY A 53 1.384 -6.556 5.807 1.00 1.00 N ATOM 787 CA GLY A 53 2.529 -7.407 6.083 1.00 1.00 C ATOM 788 C GLY A 53 3.762 -6.570 6.429 1.00 1.00 C ATOM 789 O GLY A 53 4.499 -6.898 7.358 1.00 1.00 O ATOM 0 H GLY A 53 1.069 -6.566 4.837 1.00 1.00 H new ATOM 0 HA2 GLY A 53 2.297 -8.078 6.910 1.00 1.00 H new ATOM 0 HA3 GLY A 53 2.741 -8.031 5.215 1.00 1.00 H new ATOM 793 N CYS A 54 3.949 -5.505 5.664 1.00 1.00 N ATOM 794 CA CYS A 54 5.081 -4.619 5.877 1.00 1.00 C ATOM 795 C CYS A 54 4.655 -3.526 6.860 1.00 1.00 C ATOM 796 O CYS A 54 5.293 -2.477 6.942 1.00 1.00 O ATOM 797 CB CYS A 54 5.597 -4.033 4.562 1.00 1.00 C ATOM 798 SG CYS A 54 7.409 -3.790 4.653 1.00 1.00 S ATOM 0 H CYS A 54 3.335 -5.235 4.895 1.00 1.00 H new ATOM 0 HA CYS A 54 5.913 -5.183 6.298 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.352 -4.701 3.736 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.104 -3.082 4.360 1.00 1.00 H new ATOM 803 N HIS A 55 3.581 -3.809 7.582 1.00 1.00 N ATOM 804 CA HIS A 55 3.064 -2.863 8.557 1.00 1.00 C ATOM 805 C HIS A 55 3.090 -3.496 9.950 1.00 1.00 C ATOM 806 O HIS A 55 3.891 -3.105 10.798 1.00 1.00 O ATOM 807 CB HIS A 55 1.671 -2.375 8.153 1.00 1.00 C ATOM 808 CG HIS A 55 1.676 -1.360 7.035 1.00 1.00 C ATOM 809 ND1 HIS A 55 0.515 -0.844 6.487 1.00 1.00 N ATOM 810 CD2 HIS A 55 2.711 -0.773 6.370 1.00 1.00 C ATOM 811 CE1 HIS A 55 0.849 0.015 5.535 1.00 1.00 C ATOM 812 NE2 HIS A 55 2.210 0.057 5.463 1.00 1.00 N ATOM 0 H HIS A 55 3.054 -4.680 7.512 1.00 1.00 H new ATOM 0 HA HIS A 55 3.701 -1.979 8.586 1.00 1.00 H new ATOM 0 HB2 HIS A 55 1.071 -3.233 7.849 1.00 1.00 H new ATOM 0 HB3 HIS A 55 1.183 -1.938 9.024 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -0.436 -1.084 6.768 1.00 1.00 H new ATOM 0 HD2 HIS A 55 3.761 -0.953 6.550 1.00 1.00 H new ATOM 0 HE1 HIS A 55 0.163 0.582 4.923 1.00 1.00 H new ATOM 820 N GLU A 56 2.204 -4.462 10.143 1.00 1.00 N ATOM 821 CA GLU A 56 2.116 -5.152 11.418 1.00 1.00 C ATOM 822 C GLU A 56 3.505 -5.601 11.877 1.00 1.00 C ATOM 823 O GLU A 56 3.861 -5.437 13.043 1.00 1.00 O ATOM 824 CB GLU A 56 1.156 -6.341 11.333 1.00 1.00 C ATOM 825 CG GLU A 56 -0.188 -6.008 11.983 1.00 1.00 C ATOM 826 CD GLU A 56 -1.051 -7.262 12.132 1.00 1.00 C ATOM 827 OE1 GLU A 56 -0.717 -8.155 12.925 1.00 1.00 O ATOM 828 OE2 GLU A 56 -2.104 -7.291 11.386 1.00 1.00 O ATOM 0 H GLU A 56 1.541 -4.783 9.438 1.00 1.00 H new ATOM 0 HA GLU A 56 1.718 -4.457 12.157 1.00 1.00 H new ATOM 0 HB2 GLU A 56 1.001 -6.614 10.289 1.00 1.00 H new ATOM 0 HB3 GLU A 56 1.598 -7.206 11.827 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -0.021 -5.559 12.962 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -0.715 -5.269 11.379 1.00 1.00 H new ATOM 836 N GLU A 57 4.253 -6.158 10.935 1.00 1.00 N ATOM 837 CA GLU A 57 5.595 -6.631 11.227 1.00 1.00 C ATOM 838 C GLU A 57 6.336 -5.619 12.103 1.00 1.00 C ATOM 839 O GLU A 57 7.002 -5.996 13.066 1.00 1.00 O ATOM 840 CB GLU A 57 6.370 -6.912 9.939 1.00 1.00 C ATOM 841 CG GLU A 57 6.442 -8.415 9.659 1.00 1.00 C ATOM 842 CD GLU A 57 7.885 -8.918 9.735 1.00 1.00 C ATOM 843 OE1 GLU A 57 8.638 -8.792 8.758 1.00 1.00 O ATOM 844 OE2 GLU A 57 8.215 -9.457 10.860 1.00 1.00 O ATOM 0 H GLU A 57 3.954 -6.292 9.969 1.00 1.00 H new ATOM 0 HA GLU A 57 5.516 -7.569 11.777 1.00 1.00 H new ATOM 0 HB2 GLU A 57 5.888 -6.405 9.103 1.00 1.00 H new ATOM 0 HB3 GLU A 57 7.378 -6.505 10.021 1.00 1.00 H new ATOM 0 HG2 GLU A 57 5.827 -8.953 10.381 1.00 1.00 H new ATOM 0 HG3 GLU A 57 6.031 -8.625 8.671 1.00 1.00 H new ATOM 852 N MET A 58 6.194 -4.353 11.738 1.00 1.00 N ATOM 853 CA MET A 58 6.841 -3.283 12.478 1.00 1.00 C ATOM 854 C MET A 58 5.859 -2.608 13.437 1.00 1.00 C ATOM 855 O MET A 58 6.264 -1.832 14.302 1.00 1.00 O ATOM 856 CB MET A 58 7.395 -2.246 11.499 1.00 1.00 C ATOM 857 CG MET A 58 8.386 -2.886 10.525 1.00 1.00 C ATOM 858 SD MET A 58 9.988 -2.117 10.691 1.00 1.00 S ATOM 859 CE MET A 58 10.411 -1.906 8.970 1.00 1.00 C ATOM 0 H MET A 58 5.640 -4.044 10.939 1.00 1.00 H new ATOM 0 HA MET A 58 7.654 -3.712 13.064 1.00 1.00 H new ATOM 0 HB2 MET A 58 6.575 -1.791 10.943 1.00 1.00 H new ATOM 0 HB3 MET A 58 7.888 -1.446 12.051 1.00 1.00 H new ATOM 0 HG2 MET A 58 8.464 -3.955 10.723 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.025 -2.777 9.502 1.00 1.00 H new ATOM 0 HE1 MET A 58 11.391 -1.435 8.891 1.00 1.00 H new ATOM 0 HE2 MET A 58 10.436 -2.879 8.479 1.00 1.00 H new ATOM 0 HE3 MET A 58 9.665 -1.275 8.487 1.00 1.00 H new ATOM 869 N LYS A 59 4.587 -2.927 13.252 1.00 1.00 N ATOM 870 CA LYS A 59 3.543 -2.360 14.090 1.00 1.00 C ATOM 871 C LYS A 59 3.465 -0.851 13.848 1.00 1.00 C ATOM 872 O LYS A 59 3.392 -0.070 14.796 1.00 1.00 O ATOM 873 CB LYS A 59 3.769 -2.737 15.555 1.00 1.00 C ATOM 874 CG LYS A 59 3.802 -4.257 15.732 1.00 1.00 C ATOM 875 CD LYS A 59 2.406 -4.859 15.566 1.00 1.00 C ATOM 876 CE LYS A 59 2.192 -6.023 16.535 1.00 1.00 C ATOM 877 NZ LYS A 59 1.207 -5.656 17.578 1.00 1.00 N ATOM 0 H LYS A 59 4.255 -3.571 12.534 1.00 1.00 H new ATOM 0 HA LYS A 59 2.572 -2.777 13.824 1.00 1.00 H new ATOM 0 HB2 LYS A 59 4.707 -2.306 15.904 1.00 1.00 H new ATOM 0 HB3 LYS A 59 2.975 -2.313 16.170 1.00 1.00 H new ATOM 0 HG2 LYS A 59 4.481 -4.697 15.001 1.00 1.00 H new ATOM 0 HG3 LYS A 59 4.193 -4.503 16.719 1.00 1.00 H new ATOM 0 HD2 LYS A 59 1.652 -4.092 15.742 1.00 1.00 H new ATOM 0 HD3 LYS A 59 2.275 -5.206 14.541 1.00 1.00 H new ATOM 0 HE2 LYS A 59 1.842 -6.899 15.989 1.00 1.00 H new ATOM 0 HE3 LYS A 59 3.139 -6.295 17.001 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 1.074 -6.458 18.227 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 1.555 -4.833 18.111 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 0.299 -5.419 17.130 1.00 1.00 H new ATOM 890 N LYS A 60 3.481 -0.487 12.575 1.00 1.00 N ATOM 891 CA LYS A 60 3.412 0.914 12.196 1.00 1.00 C ATOM 892 C LYS A 60 2.667 1.043 10.867 1.00 1.00 C ATOM 893 O LYS A 60 3.031 0.403 9.882 1.00 1.00 O ATOM 894 CB LYS A 60 4.811 1.534 12.179 1.00 1.00 C ATOM 895 CG LYS A 60 5.131 2.204 13.518 1.00 1.00 C ATOM 896 CD LYS A 60 4.565 3.625 13.568 1.00 1.00 C ATOM 897 CE LYS A 60 4.568 4.165 15.000 1.00 1.00 C ATOM 898 NZ LYS A 60 3.220 4.052 15.599 1.00 1.00 N ATOM 0 H LYS A 60 3.541 -1.138 11.792 1.00 1.00 H new ATOM 0 HA LYS A 60 2.846 1.481 12.935 1.00 1.00 H new ATOM 0 HB2 LYS A 60 5.552 0.763 11.968 1.00 1.00 H new ATOM 0 HB3 LYS A 60 4.878 2.268 11.376 1.00 1.00 H new ATOM 0 HG2 LYS A 60 4.714 1.613 14.333 1.00 1.00 H new ATOM 0 HG3 LYS A 60 6.211 2.233 13.666 1.00 1.00 H new ATOM 0 HD2 LYS A 60 5.157 4.279 12.927 1.00 1.00 H new ATOM 0 HD3 LYS A 60 3.548 3.630 13.176 1.00 1.00 H new ATOM 0 HE2 LYS A 60 5.288 3.611 15.602 1.00 1.00 H new ATOM 0 HE3 LYS A 60 4.887 5.207 15.001 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 3.240 4.423 16.570 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 2.541 4.600 15.033 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 2.930 3.053 15.615 1.00 1.00 H new ATOM 911 N GLY A 61 1.636 1.876 10.881 1.00 1.00 N ATOM 912 CA GLY A 61 0.836 2.097 9.689 1.00 1.00 C ATOM 913 C GLY A 61 -0.615 1.667 9.915 1.00 1.00 C ATOM 914 O GLY A 61 -0.991 1.171 10.974 1.00 1.00 O ATOM 0 H GLY A 61 1.337 2.406 11.700 1.00 1.00 H new ATOM 0 HA2 GLY A 61 0.868 3.152 9.416 1.00 1.00 H new ATOM 0 HA3 GLY A 61 1.259 1.538 8.854 1.00 1.00 H new ATOM 918 N PRO A 62 -1.432 1.871 8.878 1.00 1.00 N ATOM 919 CA PRO A 62 -2.840 1.538 8.872 1.00 1.00 C ATOM 920 C PRO A 62 -3.007 0.026 8.921 1.00 1.00 C ATOM 921 O PRO A 62 -2.905 -0.617 7.878 1.00 1.00 O ATOM 922 CB PRO A 62 -3.370 2.105 7.557 1.00 1.00 C ATOM 923 CG PRO A 62 -2.150 2.116 6.645 1.00 1.00 C ATOM 924 CD PRO A 62 -1.023 2.452 7.618 1.00 1.00 C ATOM 0 HA PRO A 62 -3.376 1.945 9.729 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -4.169 1.486 7.148 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -3.779 3.107 7.690 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -1.995 1.152 6.160 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -2.240 2.860 5.854 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -0.073 2.036 7.281 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -0.886 3.530 7.706 1.00 1.00 H new ATOM 932 N THR A 63 -3.256 -0.505 10.109 1.00 1.00 N ATOM 933 CA THR A 63 -3.431 -1.939 10.266 1.00 1.00 C ATOM 934 C THR A 63 -4.906 -2.275 10.493 1.00 1.00 C ATOM 935 O THR A 63 -5.308 -3.432 10.379 1.00 1.00 O ATOM 936 CB THR A 63 -2.520 -2.405 11.403 1.00 1.00 C ATOM 937 OG1 THR A 63 -2.570 -1.339 12.347 1.00 1.00 O ATOM 938 CG2 THR A 63 -1.049 -2.465 10.987 1.00 1.00 C ATOM 0 H THR A 63 -3.341 0.032 10.972 1.00 1.00 H new ATOM 0 HA THR A 63 -3.144 -2.474 9.360 1.00 1.00 H new ATOM 0 HB THR A 63 -2.841 -3.389 11.745 1.00 1.00 H new ATOM 0 HG1 THR A 63 -2.007 -1.559 13.119 1.00 1.00 H new ATOM 0 HG21 THR A 63 -0.446 -2.801 11.830 1.00 1.00 H new ATOM 0 HG22 THR A 63 -0.934 -3.162 10.157 1.00 1.00 H new ATOM 0 HG23 THR A 63 -0.718 -1.474 10.677 1.00 1.00 H new ATOM 946 N LYS A 64 -5.673 -1.242 10.809 1.00 1.00 N ATOM 947 CA LYS A 64 -7.095 -1.413 11.054 1.00 1.00 C ATOM 948 C LYS A 64 -7.870 -1.095 9.773 1.00 1.00 C ATOM 949 O LYS A 64 -7.325 -0.497 8.846 1.00 1.00 O ATOM 950 CB LYS A 64 -7.535 -0.582 12.261 1.00 1.00 C ATOM 951 CG LYS A 64 -6.562 -0.753 13.429 1.00 1.00 C ATOM 952 CD LYS A 64 -5.577 0.415 13.498 1.00 1.00 C ATOM 953 CE LYS A 64 -4.983 0.549 14.901 1.00 1.00 C ATOM 954 NZ LYS A 64 -5.965 1.161 15.824 1.00 1.00 N ATOM 0 H LYS A 64 -5.337 -0.283 10.901 1.00 1.00 H new ATOM 0 HA LYS A 64 -7.315 -2.449 11.312 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -7.592 0.470 11.981 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -8.536 -0.884 12.570 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -7.119 -0.820 14.364 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -6.015 -1.689 13.317 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -4.777 0.264 12.773 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -6.084 1.340 13.224 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -4.688 -0.432 15.273 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -4.081 1.160 14.863 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -5.482 1.462 16.695 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -6.403 1.987 15.368 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -6.701 0.465 16.059 1.00 1.00 H new ATOM 967 N CYS A 65 -9.129 -1.509 9.762 1.00 1.00 N ATOM 968 CA CYS A 65 -9.983 -1.276 8.611 1.00 1.00 C ATOM 969 C CYS A 65 -10.481 0.170 8.667 1.00 1.00 C ATOM 970 O CYS A 65 -11.109 0.650 7.725 1.00 1.00 O ATOM 971 CB CYS A 65 -11.140 -2.276 8.554 1.00 1.00 C ATOM 972 SG CYS A 65 -10.841 -3.847 9.443 1.00 1.00 S ATOM 0 H CYS A 65 -9.578 -2.004 10.533 1.00 1.00 H new ATOM 0 HA CYS A 65 -9.412 -1.427 7.695 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -12.031 -1.804 8.969 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -11.356 -2.501 7.510 1.00 1.00 H new ATOM 977 N GLY A 66 -10.182 0.822 9.780 1.00 1.00 N ATOM 978 CA GLY A 66 -10.591 2.204 9.971 1.00 1.00 C ATOM 979 C GLY A 66 -9.442 3.164 9.656 1.00 1.00 C ATOM 980 O GLY A 66 -9.578 4.375 9.823 1.00 1.00 O ATOM 0 H GLY A 66 -9.661 0.420 10.559 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -11.443 2.427 9.328 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -10.921 2.351 11.000 1.00 1.00 H new ATOM 984 N GLU A 67 -8.337 2.587 9.207 1.00 1.00 N ATOM 985 CA GLU A 67 -7.166 3.377 8.868 1.00 1.00 C ATOM 986 C GLU A 67 -6.976 3.421 7.351 1.00 1.00 C ATOM 987 O GLU A 67 -6.676 4.473 6.789 1.00 1.00 O ATOM 988 CB GLU A 67 -5.916 2.830 9.561 1.00 1.00 C ATOM 989 CG GLU A 67 -4.997 3.967 10.012 1.00 1.00 C ATOM 990 CD GLU A 67 -4.816 3.957 11.531 1.00 1.00 C ATOM 991 OE1 GLU A 67 -4.955 2.900 12.165 1.00 1.00 O ATOM 992 OE2 GLU A 67 -4.519 5.098 12.052 1.00 1.00 O ATOM 0 H GLU A 67 -8.228 1.582 9.070 1.00 1.00 H new ATOM 0 HA GLU A 67 -7.323 4.395 9.225 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -6.207 2.229 10.423 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -5.378 2.171 8.880 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -4.026 3.869 9.526 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -5.415 4.923 9.698 1.00 1.00 H new ATOM 1000 N CYS A 68 -7.160 2.265 6.730 1.00 1.00 N ATOM 1001 CA CYS A 68 -7.013 2.158 5.288 1.00 1.00 C ATOM 1002 C CYS A 68 -8.360 2.490 4.642 1.00 1.00 C ATOM 1003 O CYS A 68 -8.443 3.374 3.791 1.00 1.00 O ATOM 1004 CB CYS A 68 -6.506 0.775 4.872 1.00 1.00 C ATOM 1005 SG CYS A 68 -4.686 0.806 4.687 1.00 1.00 S ATOM 0 H CYS A 68 -7.410 1.394 7.199 1.00 1.00 H new ATOM 0 HA CYS A 68 -6.261 2.867 4.943 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -6.791 0.034 5.619 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -6.970 0.476 3.932 1.00 1.00 H new ATOM 1010 N HIS A 69 -9.381 1.763 5.072 1.00 1.00 N ATOM 1011 CA HIS A 69 -10.720 1.970 4.546 1.00 1.00 C ATOM 1012 C HIS A 69 -11.411 3.089 5.327 1.00 1.00 C ATOM 1013 O HIS A 69 -12.222 2.823 6.213 1.00 1.00 O ATOM 1014 CB HIS A 69 -11.514 0.663 4.554 1.00 1.00 C ATOM 1015 CG HIS A 69 -10.915 -0.426 3.696 1.00 1.00 C ATOM 1016 ND1 HIS A 69 -10.903 -0.370 2.313 1.00 1.00 N ATOM 1017 CD2 HIS A 69 -10.306 -1.597 4.039 1.00 1.00 C ATOM 1018 CE1 HIS A 69 -10.312 -1.464 1.855 1.00 1.00 C ATOM 1019 NE2 HIS A 69 -9.944 -2.223 2.926 1.00 1.00 N ATOM 0 H HIS A 69 -9.308 1.030 5.778 1.00 1.00 H new ATOM 0 HA HIS A 69 -10.661 2.285 3.504 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -11.590 0.302 5.580 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -12.529 0.864 4.211 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -11.284 0.385 1.743 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -10.146 -1.954 5.045 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -10.150 -1.711 0.816 1.00 1.00 H new ATOM 1027 N LYS A 70 -11.065 4.317 4.971 1.00 1.00 N ATOM 1028 CA LYS A 70 -11.643 5.478 5.628 1.00 1.00 C ATOM 1029 C LYS A 70 -12.492 6.258 4.622 1.00 1.00 C ATOM 1030 O LYS A 70 -13.548 5.788 4.200 1.00 1.00 O ATOM 1031 CB LYS A 70 -10.549 6.318 6.290 1.00 1.00 C ATOM 1032 CG LYS A 70 -11.145 7.542 6.988 1.00 1.00 C ATOM 1033 CD LYS A 70 -10.300 8.790 6.722 1.00 1.00 C ATOM 1034 CE LYS A 70 -9.519 9.199 7.972 1.00 1.00 C ATOM 1035 NZ LYS A 70 -10.231 10.273 8.700 1.00 1.00 N ATOM 0 H LYS A 70 -10.392 4.534 4.236 1.00 1.00 H new ATOM 0 HA LYS A 70 -12.308 5.168 6.434 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -10.007 5.710 7.014 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -9.827 6.639 5.539 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -12.163 7.706 6.636 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -11.204 7.360 8.061 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -9.607 8.597 5.903 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -10.945 9.610 6.407 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -9.387 8.336 8.624 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -8.523 9.541 7.690 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -9.687 10.539 9.546 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -10.335 11.102 8.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -11.172 9.934 8.986 1.00 1.00 H new ATOM 1048 N LYS A 71 -12.000 7.435 4.267 1.00 1.00 N ATOM 1049 CA LYS A 71 -12.700 8.284 3.319 1.00 1.00 C ATOM 1050 C LYS A 71 -13.255 7.423 2.183 1.00 1.00 C ATOM 1051 O LYS A 71 -14.452 7.142 2.140 1.00 1.00 O ATOM 1052 CB LYS A 71 -11.791 9.419 2.842 1.00 1.00 C ATOM 1053 CG LYS A 71 -11.224 9.121 1.453 1.00 1.00 C ATOM 1054 CD LYS A 71 -10.182 10.166 1.050 1.00 1.00 C ATOM 1055 CE LYS A 71 -8.780 9.743 1.494 1.00 1.00 C ATOM 1056 NZ LYS A 71 -7.976 10.926 1.872 1.00 1.00 N ATOM 0 H LYS A 71 -11.124 7.821 4.619 1.00 1.00 H new ATOM 0 HA LYS A 71 -13.551 8.768 3.798 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -12.352 10.353 2.817 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -10.974 9.557 3.550 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -10.771 8.130 1.446 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -12.032 9.107 0.722 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -10.199 10.303 -0.031 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -10.434 11.127 1.497 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -8.851 9.059 2.340 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -8.285 9.202 0.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -7.028 10.620 2.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -7.893 11.565 1.055 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -8.441 11.426 2.656 1.00 1.00 H new TER 1069 LYS A 71 HETATM 1070 CHA HEM A 101 2.371 2.181 -8.885 1.00 1.00 C HETATM 1071 CHB HEM A 101 6.973 3.394 -9.919 1.00 1.00 C HETATM 1072 CHC HEM A 101 8.339 2.141 -5.415 1.00 1.00 C HETATM 1073 CHD HEM A 101 3.790 0.418 -4.572 1.00 1.00 C HETATM 1074 C1A HEM A 101 3.509 2.638 -9.542 1.00 1.00 C HETATM 1075 C2A HEM A 101 3.513 3.166 -10.885 1.00 1.00 C HETATM 1076 C3A HEM A 101 4.787 3.504 -11.175 1.00 1.00 C HETATM 1077 C4A HEM A 101 5.585 3.188 -10.014 1.00 1.00 C HETATM 1078 CMA HEM A 101 5.320 4.096 -12.447 1.00 1.00 C HETATM 1079 CAA HEM A 101 2.300 3.297 -11.761 1.00 1.00 C HETATM 1080 CBA HEM A 101 2.151 4.669 -12.413 1.00 1.00 C HETATM 1081 CGA HEM A 101 1.428 5.639 -11.489 1.00 1.00 C HETATM 1082 O1A HEM A 101 0.288 5.307 -11.098 1.00 1.00 O HETATM 1083 O2A HEM A 101 2.029 6.694 -11.192 1.00 1.00 O HETATM 1084 C1B HEM A 101 7.742 3.088 -8.801 1.00 1.00 C HETATM 1085 C2B HEM A 101 9.186 3.101 -8.780 1.00 1.00 C HETATM 1086 C3B HEM A 101 9.567 2.754 -7.533 1.00 1.00 C HETATM 1087 C4B HEM A 101 8.364 2.523 -6.769 1.00 1.00 C HETATM 1088 CMB HEM A 101 10.058 3.442 -9.952 1.00 1.00 C HETATM 1089 CAB HEM A 101 10.963 2.620 -6.997 1.00 1.00 C HETATM 1090 CBB HEM A 101 11.998 2.234 -8.050 1.00 1.00 C HETATM 1091 C1C HEM A 101 7.180 1.506 -4.776 1.00 1.00 C HETATM 1092 C2C HEM A 101 7.212 0.795 -3.519 1.00 1.00 C HETATM 1093 C3C HEM A 101 5.969 0.315 -3.303 1.00 1.00 C HETATM 1094 C4C HEM A 101 5.155 0.724 -4.424 1.00 1.00 C HETATM 1095 CMC HEM A 101 8.425 0.643 -2.649 1.00 1.00 C HETATM 1096 CAC HEM A 101 5.480 -0.493 -2.137 1.00 1.00 C HETATM 1097 CBC HEM A 101 6.089 -0.083 -0.799 1.00 1.00 C HETATM 1098 C1D HEM A 101 3.020 0.761 -5.679 1.00 1.00 C HETATM 1099 C2D HEM A 101 1.617 0.451 -5.819 1.00 1.00 C HETATM 1100 C3D HEM A 101 1.221 0.938 -7.014 1.00 1.00 C HETATM 1101 C4D HEM A 101 2.375 1.555 -7.625 1.00 1.00 C HETATM 1102 CMD HEM A 101 0.793 -0.280 -4.799 1.00 1.00 C HETATM 1103 CAD HEM A 101 -0.147 0.875 -7.630 1.00 1.00 C HETATM 1104 CBD HEM A 101 -0.247 -0.072 -8.823 1.00 1.00 C HETATM 1105 CGD HEM A 101 -1.656 -0.084 -9.396 1.00 1.00 C HETATM 1106 O1D HEM A 101 -2.347 -1.104 -9.182 1.00 1.00 O HETATM 1107 O2D HEM A 101 -2.018 0.926 -10.037 1.00 1.00 O HETATM 1108 NA HEM A 101 4.788 2.656 -9.015 1.00 1.00 N HETATM 1109 NB HEM A 101 7.247 2.732 -7.559 1.00 1.00 N HETATM 1110 NC HEM A 101 5.910 1.456 -5.324 1.00 1.00 N HETATM 1111 ND HEM A 101 3.476 1.440 -6.795 1.00 1.00 N HETATM 1112 FE HEM A 101 5.311 2.086 -7.051 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 4.712 3.760 -13.287 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 6.351 3.775 -12.594 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 5.284 5.184 -12.385 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 10.987 3.888 -9.597 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 9.539 4.151 -10.598 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 10.282 2.536 -10.514 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 9.321 0.645 -3.270 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 8.365 -0.298 -2.102 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 8.472 1.471 -1.942 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 1.428 -0.973 -4.247 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 0.001 -0.835 -5.301 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 0.351 0.437 -4.107 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 13.043 2.110 -7.767 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 11.692 2.082 -9.085 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 5.802 -0.606 0.113 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 6.811 0.733 -0.756 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 1.599 4.573 -13.348 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 3.135 5.065 -12.663 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 1.411 3.090 -11.166 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 2.345 2.538 -12.542 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 0.033 -1.080 -8.516 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 0.460 0.234 -9.594 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -0.437 1.876 -7.948 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -0.863 0.562 -6.870 1.00 1.00 H new HETATM 0 HHA HEM A 101 1.419 2.316 -9.376 1.00 1.00 H new HETATM 0 HHB HEM A 101 7.477 3.820 -10.774 1.00 1.00 H new HETATM 0 HHC HEM A 101 9.218 2.324 -4.815 1.00 1.00 H new HETATM 0 HHD HEM A 101 3.306 -0.121 -3.771 1.00 1.00 H new HETATM 0 HAB HEM A 101 11.215 2.784 -5.949 1.00 1.00 H new HETATM 0 HAC HEM A 101 4.755 -1.301 -2.237 1.00 1.00 H new HETATM 1113 CHA HEM A 102 3.190 3.655 6.776 1.00 1.00 C HETATM 1114 CHB HEM A 102 -0.012 2.371 3.339 1.00 1.00 C HETATM 1115 CHC HEM A 102 3.074 -1.028 1.714 1.00 1.00 C HETATM 1116 CHD HEM A 102 6.172 0.079 5.346 1.00 1.00 C HETATM 1117 C1A HEM A 102 2.079 3.626 5.941 1.00 1.00 C HETATM 1118 C2A HEM A 102 1.005 4.590 5.984 1.00 1.00 C HETATM 1119 C3A HEM A 102 0.115 4.237 5.033 1.00 1.00 C HETATM 1120 C4A HEM A 102 0.629 3.051 4.390 1.00 1.00 C HETATM 1121 CMA HEM A 102 -1.174 4.917 4.675 1.00 1.00 C HETATM 1122 CAA HEM A 102 0.933 5.754 6.930 1.00 1.00 C HETATM 1123 CBA HEM A 102 2.234 6.543 7.043 1.00 1.00 C HETATM 1124 CGA HEM A 102 2.012 8.014 6.726 1.00 1.00 C HETATM 1125 O1A HEM A 102 2.024 8.811 7.689 1.00 1.00 O HETATM 1126 O2A HEM A 102 1.835 8.315 5.526 1.00 1.00 O HETATM 1127 C1B HEM A 102 0.553 1.329 2.611 1.00 1.00 C HETATM 1128 C2B HEM A 102 -0.104 0.651 1.519 1.00 1.00 C HETATM 1129 C3B HEM A 102 0.749 -0.292 1.067 1.00 1.00 C HETATM 1130 C4B HEM A 102 1.943 -0.207 1.874 1.00 1.00 C HETATM 1131 CMB HEM A 102 -1.482 0.970 1.015 1.00 1.00 C HETATM 1132 CAB HEM A 102 0.539 -1.265 -0.057 1.00 1.00 C HETATM 1133 CBB HEM A 102 -0.108 -0.652 -1.296 1.00 1.00 C HETATM 1134 C1C HEM A 102 4.232 -0.982 2.548 1.00 1.00 C HETATM 1135 C2C HEM A 102 5.365 -1.869 2.428 1.00 1.00 C HETATM 1136 C3C HEM A 102 6.206 -1.579 3.444 1.00 1.00 C HETATM 1137 C4C HEM A 102 5.601 -0.509 4.202 1.00 1.00 C HETATM 1138 CMC HEM A 102 5.534 -2.906 1.357 1.00 1.00 C HETATM 1139 CAC HEM A 102 7.525 -2.218 3.763 1.00 1.00 C HETATM 1140 CBC HEM A 102 8.369 -2.547 2.534 1.00 1.00 C HETATM 1141 C1D HEM A 102 5.611 1.139 6.052 1.00 1.00 C HETATM 1142 C2D HEM A 102 6.198 1.730 7.231 1.00 1.00 C HETATM 1143 C3D HEM A 102 5.374 2.722 7.630 1.00 1.00 C HETATM 1144 C4D HEM A 102 4.268 2.754 6.702 1.00 1.00 C HETATM 1145 CMD HEM A 102 7.487 1.290 7.861 1.00 1.00 C HETATM 1146 CAD HEM A 102 5.535 3.640 8.806 1.00 1.00 C HETATM 1147 CBD HEM A 102 5.890 5.075 8.429 1.00 1.00 C HETATM 1148 CGD HEM A 102 7.344 5.384 8.756 1.00 1.00 C HETATM 1149 O1D HEM A 102 8.211 4.900 7.998 1.00 1.00 O HETATM 1150 O2D HEM A 102 7.560 6.099 9.759 1.00 1.00 O HETATM 1151 NA HEM A 102 1.838 2.683 4.956 1.00 1.00 N HETATM 1152 NB HEM A 102 1.812 0.794 2.821 1.00 1.00 N HETATM 1153 NC HEM A 102 4.388 -0.149 3.643 1.00 1.00 N HETATM 1154 ND HEM A 102 4.424 1.776 5.735 1.00 1.00 N HETATM 1155 FE HEM A 102 3.268 1.259 4.287 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 -1.589 5.399 5.560 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 -1.882 4.179 4.298 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 -0.988 5.667 3.906 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -2.091 1.349 1.836 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -1.940 0.067 0.611 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 -1.417 1.725 0.232 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 4.555 -3.265 1.041 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 6.118 -3.740 1.747 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 6.053 -2.467 0.504 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.965 2.142 8.344 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 8.149 0.890 7.093 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 7.284 0.518 8.604 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -0.305 -1.272 -2.171 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -0.373 0.405 -1.306 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 9.347 -3.014 2.653 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 7.994 -2.315 1.537 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 2.975 6.128 6.359 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 2.638 6.442 8.050 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 0.654 5.389 7.919 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 0.140 6.426 6.603 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 5.239 5.766 8.964 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.713 5.229 7.365 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 6.312 3.244 9.459 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 4.608 3.645 9.380 1.00 1.00 H new HETATM 0 HHA HEM A 102 3.228 4.423 7.535 1.00 1.00 H new HETATM 0 HHB HEM A 102 -1.014 2.680 3.079 1.00 1.00 H new HETATM 0 HHC HEM A 102 3.066 -1.743 0.904 1.00 1.00 H new HETATM 0 HHD HEM A 102 7.111 -0.320 5.701 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.823 -2.315 0.006 1.00 1.00 H new HETATM 0 HAC HEM A 102 7.852 -2.429 4.781 1.00 1.00 H new HETATM 1156 CHA HEM A 103 -9.948 -4.272 -0.446 1.00 1.00 C HETATM 1157 CHB HEM A 103 -11.980 -5.504 3.806 1.00 1.00 C HETATM 1158 CHC HEM A 103 -8.120 -3.716 6.178 1.00 1.00 C HETATM 1159 CHD HEM A 103 -6.316 -2.029 1.899 1.00 1.00 C HETATM 1160 C1A HEM A 103 -10.826 -4.766 0.513 1.00 1.00 C HETATM 1161 C2A HEM A 103 -12.085 -5.403 0.209 1.00 1.00 C HETATM 1162 C3A HEM A 103 -12.651 -5.746 1.385 1.00 1.00 C HETATM 1163 C4A HEM A 103 -11.748 -5.325 2.430 1.00 1.00 C HETATM 1164 CMA HEM A 103 -13.966 -6.434 1.613 1.00 1.00 C HETATM 1165 CAA HEM A 103 -12.625 -5.622 -1.175 1.00 1.00 C HETATM 1166 CBA HEM A 103 -13.404 -4.435 -1.733 1.00 1.00 C HETATM 1167 CGA HEM A 103 -13.927 -4.730 -3.131 1.00 1.00 C HETATM 1168 O1A HEM A 103 -13.455 -4.052 -4.069 1.00 1.00 O HETATM 1169 O2A HEM A 103 -14.790 -5.629 -3.236 1.00 1.00 O HETATM 1170 C1B HEM A 103 -11.083 -5.154 4.809 1.00 1.00 C HETATM 1171 C2B HEM A 103 -11.268 -5.462 6.207 1.00 1.00 C HETATM 1172 C3B HEM A 103 -10.200 -4.968 6.868 1.00 1.00 C HETATM 1173 C4B HEM A 103 -9.342 -4.349 5.885 1.00 1.00 C HETATM 1174 CMB HEM A 103 -12.447 -6.198 6.776 1.00 1.00 C HETATM 1175 CAB HEM A 103 -9.916 -5.027 8.341 1.00 1.00 C HETATM 1176 CBB HEM A 103 -10.057 -6.421 8.945 1.00 1.00 C HETATM 1177 C1C HEM A 103 -7.187 -3.143 5.173 1.00 1.00 C HETATM 1178 C2C HEM A 103 -6.048 -2.309 5.478 1.00 1.00 C HETATM 1179 C3C HEM A 103 -5.600 -1.806 4.308 1.00 1.00 C HETATM 1180 C4C HEM A 103 -6.456 -2.323 3.267 1.00 1.00 C HETATM 1181 CMC HEM A 103 -5.499 -2.075 6.855 1.00 1.00 C HETATM 1182 CAC HEM A 103 -4.438 -0.883 4.084 1.00 1.00 C HETATM 1183 CBC HEM A 103 -3.146 -1.335 4.760 1.00 1.00 C HETATM 1184 C1D HEM A 103 -7.174 -2.482 0.902 1.00 1.00 C HETATM 1185 C2D HEM A 103 -7.045 -2.144 -0.495 1.00 1.00 C HETATM 1186 C3D HEM A 103 -8.051 -2.764 -1.148 1.00 1.00 C HETATM 1187 C4D HEM A 103 -8.812 -3.492 -0.161 1.00 1.00 C HETATM 1188 CMD HEM A 103 -5.976 -1.262 -1.071 1.00 1.00 C HETATM 1189 CAD HEM A 103 -8.358 -2.731 -2.617 1.00 1.00 C HETATM 1190 CBD HEM A 103 -9.000 -1.429 -3.088 1.00 1.00 C HETATM 1191 CGD HEM A 103 -8.800 -1.229 -4.584 1.00 1.00 C HETATM 1192 O1D HEM A 103 -9.825 -1.038 -5.273 1.00 1.00 O HETATM 1193 O2D HEM A 103 -7.625 -1.271 -5.010 1.00 1.00 O HETATM 1194 NA HEM A 103 -10.628 -4.723 1.882 1.00 1.00 N HETATM 1195 NB HEM A 103 -9.895 -4.469 4.622 1.00 1.00 N HETATM 1196 NC HEM A 103 -7.429 -3.145 3.810 1.00 1.00 N HETATM 1197 ND HEM A 103 -8.264 -3.312 1.097 1.00 1.00 N HETATM 1198 FE HEM A 103 -8.918 -3.922 2.839 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 -14.655 -6.177 0.809 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 -14.384 -6.112 2.567 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 -13.814 -7.513 1.629 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 -13.328 -6.003 6.164 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 -12.631 -5.858 7.795 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 -12.239 -7.268 6.783 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 -4.426 -1.893 6.793 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 -5.683 -2.953 7.474 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 -5.989 -1.208 7.299 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -5.763 -1.570 -2.095 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -5.071 -1.348 -0.470 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -6.317 -0.227 -1.067 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 -9.873 -6.575 10.008 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 -10.342 -7.262 8.313 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 -2.241 -0.736 4.661 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 -3.129 -2.257 5.342 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -12.761 -3.555 -1.760 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -14.238 -4.200 -1.072 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -13.274 -6.498 -1.166 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -11.796 -5.847 -1.846 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -8.567 -0.589 -2.545 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -10.066 -1.442 -2.859 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -9.024 -3.560 -2.857 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -7.435 -2.891 -3.174 1.00 1.00 H new HETATM 0 HHA HEM A 103 -10.152 -4.503 -1.481 1.00 1.00 H new HETATM 0 HHB HEM A 103 -12.920 -5.944 4.104 1.00 1.00 H new HETATM 0 HHC HEM A 103 -7.837 -3.640 7.218 1.00 1.00 H new HETATM 0 HHD HEM A 103 -5.484 -1.408 1.601 1.00 1.00 H new HETATM 0 HAB HEM A 103 -9.634 -4.152 8.927 1.00 1.00 H new HETATM 0 HAC HEM A 103 -4.510 0.029 3.491 1.00 1.00 H new