USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 532 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 130 HEMFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 130 HEMFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 168 HEMFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 154 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 168 HEMFE :(H bumps) USER MOD Set 1.1: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 168 HEM CMA :methyl -30:sc= -1.2 (180deg=-1.54!) 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= -0.0199 X(o=-0.02,f=-0.12) USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= -0.091 (180deg=-0.392) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -2.69! C(o=-2.7!,f=-4.7!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 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+ 153:sc= -0.308 (180deg=-1.3) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 HEM CMA :methyl -30:sc= -0.0387 (180deg=-0.194) USER MOD Single : A 130 HEM CMB :methyl -30:sc= -1.18 (180deg=-4.06!) USER MOD Single : A 130 HEM CMC :methyl 150:sc= -0.361 (180deg=-0.361) USER MOD Single : A 130 HEM CMD :methyl 150:sc= -1.01 (180deg=-1.01) USER MOD Single : A 154 HEM CMA :methyl 150:sc= -0.182 (180deg=-0.182) USER MOD Single : A 154 HEM CMB :methyl 150:sc= -1.33 (180deg=-1.33) USER MOD Single : A 154 HEM CMC :methyl -30:sc= -7.46! (180deg=-8.34!) USER MOD Single : A 154 HEM CMD :methyl -30:sc= -0.857 (180deg=-1.27) USER MOD Single : A 168 HEM CMB :methyl -30:sc= -0.187 (180deg=-1.2) USER MOD Single : A 168 HEM CMC :methyl 150:sc= -6.12! (180deg=-6.12!) USER MOD Single : A 168 HEM CMD :methyl 150:sc= -0.684 (180deg=-0.684) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.870 13.201 3.165 1.00 0.00 N ATOM 2 CA ALA A 1 5.885 12.806 4.564 1.00 0.00 C ATOM 3 C ALA A 1 5.360 11.374 4.690 1.00 0.00 C ATOM 4 O ALA A 1 6.133 10.419 4.639 1.00 0.00 O ATOM 5 CB ALA A 1 5.064 13.802 5.385 1.00 0.00 C ATOM 0 H1 ALA A 1 6.226 14.174 3.075 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.476 12.558 2.616 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.897 13.154 2.801 1.00 0.00 H new ATOM 0 HA ALA A 1 6.902 12.821 4.956 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.075 13.506 6.434 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.495 14.798 5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.036 13.813 5.022 1.00 0.00 H new ATOM 11 N ASP A 2 4.049 11.271 4.852 1.00 0.00 N ATOM 12 CA ASP A 2 3.412 9.972 4.986 1.00 0.00 C ATOM 13 C ASP A 2 2.353 9.813 3.894 1.00 0.00 C ATOM 14 O ASP A 2 2.214 8.739 3.309 1.00 0.00 O ATOM 15 CB ASP A 2 2.716 9.837 6.342 1.00 0.00 C ATOM 16 CG ASP A 2 3.057 10.931 7.356 1.00 0.00 C ATOM 17 OD1 ASP A 2 4.185 10.999 7.866 1.00 0.00 O ATOM 18 OD2 ASP A 2 2.095 11.748 7.621 1.00 0.00 O ATOM 0 H ASP A 2 3.411 12.066 4.893 1.00 0.00 H new ATOM 0 HA ASP A 2 4.184 9.208 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.638 9.835 6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.976 8.870 6.772 1.00 0.00 H new ATOM 24 N ASP A 3 1.632 10.898 3.650 1.00 0.00 N ATOM 25 CA ASP A 3 0.590 10.893 2.638 1.00 0.00 C ATOM 26 C ASP A 3 1.229 10.762 1.254 1.00 0.00 C ATOM 27 O ASP A 3 2.002 11.625 0.840 1.00 0.00 O ATOM 28 CB ASP A 3 -0.213 12.195 2.667 1.00 0.00 C ATOM 29 CG ASP A 3 -0.174 12.949 3.998 1.00 0.00 C ATOM 30 OD1 ASP A 3 0.584 13.916 4.162 1.00 0.00 O ATOM 31 OD2 ASP A 3 -0.977 12.499 4.903 1.00 0.00 O ATOM 0 H ASP A 3 1.749 11.787 4.136 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.075 10.055 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.162 12.853 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.251 11.969 2.425 1.00 0.00 H new ATOM 37 N ILE A 4 0.883 9.677 0.578 1.00 0.00 N ATOM 38 CA ILE A 4 1.414 9.423 -0.751 1.00 0.00 C ATOM 39 C ILE A 4 0.266 9.047 -1.690 1.00 0.00 C ATOM 40 O ILE A 4 -0.531 8.163 -1.380 1.00 0.00 O ATOM 41 CB ILE A 4 2.528 8.376 -0.692 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.675 8.845 0.206 1.00 0.00 C ATOM 43 CG2 ILE A 4 3.012 8.010 -2.096 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.829 7.841 0.192 1.00 0.00 C ATOM 0 H ILE A 4 0.242 8.964 0.925 1.00 0.00 H new ATOM 0 HA ILE A 4 1.876 10.324 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 4 2.120 7.469 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.031 9.818 -0.132 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.313 8.974 1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.804 7.264 -2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.181 7.604 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.397 8.901 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.631 8.199 0.838 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.475 6.875 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.204 7.732 -0.826 1.00 0.00 H new ATOM 56 N VAL A 5 0.219 9.737 -2.820 1.00 0.00 N ATOM 57 CA VAL A 5 -0.818 9.486 -3.807 1.00 0.00 C ATOM 58 C VAL A 5 -0.248 8.618 -4.930 1.00 0.00 C ATOM 59 O VAL A 5 0.723 8.998 -5.583 1.00 0.00 O ATOM 60 CB VAL A 5 -1.393 10.812 -4.310 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.431 10.578 -5.409 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.987 11.624 -3.158 1.00 0.00 C ATOM 0 H VAL A 5 0.882 10.469 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.646 8.936 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.575 11.390 -4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.824 11.536 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.964 10.060 -6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.246 9.971 -5.016 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.389 12.561 -3.543 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.786 11.054 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.210 11.836 -2.424 1.00 0.00 H new ATOM 72 N LEU A 6 -0.876 7.466 -5.121 1.00 0.00 N ATOM 73 CA LEU A 6 -0.443 6.540 -6.153 1.00 0.00 C ATOM 74 C LEU A 6 -1.311 6.731 -7.399 1.00 0.00 C ATOM 75 O LEU A 6 -2.431 6.227 -7.464 1.00 0.00 O ATOM 76 CB LEU A 6 -0.440 5.106 -5.620 1.00 0.00 C ATOM 77 CG LEU A 6 0.510 4.826 -4.454 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.098 3.558 -3.704 1.00 0.00 C ATOM 79 CD2 LEU A 6 1.962 4.764 -4.932 1.00 0.00 C ATOM 0 H LEU A 6 -1.681 7.154 -4.578 1.00 0.00 H new ATOM 0 HA LEU A 6 0.586 6.749 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.453 4.854 -5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.184 4.435 -6.440 1.00 0.00 H new ATOM 0 HG LEU A 6 0.439 5.654 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.790 3.382 -2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.911 3.680 -3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.122 2.708 -4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.616 4.564 -4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.069 3.968 -5.668 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.237 5.716 -5.385 1.00 0.00 H new ATOM 91 N LYS A 7 -0.760 7.461 -8.358 1.00 0.00 N ATOM 92 CA LYS A 7 -1.469 7.725 -9.599 1.00 0.00 C ATOM 93 C LYS A 7 -1.947 6.401 -10.199 1.00 0.00 C ATOM 94 O LYS A 7 -1.208 5.418 -10.211 1.00 0.00 O ATOM 95 CB LYS A 7 -0.600 8.552 -10.548 1.00 0.00 C ATOM 96 CG LYS A 7 0.651 7.775 -10.963 1.00 0.00 C ATOM 97 CD LYS A 7 1.895 8.322 -10.259 1.00 0.00 C ATOM 98 CE LYS A 7 2.485 7.284 -9.303 1.00 0.00 C ATOM 99 NZ LYS A 7 3.959 7.409 -9.248 1.00 0.00 N ATOM 0 H LYS A 7 0.169 7.878 -8.301 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.356 8.329 -9.410 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.176 8.821 -11.433 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.309 9.483 -10.062 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.525 6.720 -10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.782 7.840 -12.043 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.642 8.605 -11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.637 9.225 -9.706 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.065 7.419 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.211 6.281 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.344 6.697 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.356 7.258 -10.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.215 8.360 -8.913 1.00 0.00 H new ATOM 112 N ALA A 8 -3.181 6.419 -10.683 1.00 0.00 N ATOM 113 CA ALA A 8 -3.766 5.232 -11.283 1.00 0.00 C ATOM 114 C ALA A 8 -4.772 5.653 -12.357 1.00 0.00 C ATOM 115 O ALA A 8 -5.515 6.616 -12.174 1.00 0.00 O ATOM 116 CB ALA A 8 -4.404 4.370 -10.193 1.00 0.00 C ATOM 0 H ALA A 8 -3.791 7.236 -10.672 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.998 4.628 -11.767 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.843 3.480 -10.643 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.643 4.074 -9.471 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.182 4.941 -9.686 1.00 0.00 H new ATOM 122 N LYS A 9 -4.764 4.909 -13.454 1.00 0.00 N ATOM 123 CA LYS A 9 -5.666 5.193 -14.557 1.00 0.00 C ATOM 124 C LYS A 9 -7.056 4.644 -14.227 1.00 0.00 C ATOM 125 O LYS A 9 -7.964 4.708 -15.054 1.00 0.00 O ATOM 126 CB LYS A 9 -5.090 4.660 -15.870 1.00 0.00 C ATOM 127 CG LYS A 9 -5.026 3.131 -15.860 1.00 0.00 C ATOM 128 CD LYS A 9 -6.359 2.523 -16.299 1.00 0.00 C ATOM 129 CE LYS A 9 -6.189 1.055 -16.695 1.00 0.00 C ATOM 130 NZ LYS A 9 -6.403 0.883 -18.150 1.00 0.00 N ATOM 0 H LYS A 9 -4.147 4.110 -13.602 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.772 6.269 -14.696 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.705 4.996 -16.704 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.091 5.068 -16.026 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.231 2.793 -16.525 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.775 2.781 -14.859 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.084 2.603 -15.489 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.760 3.086 -17.142 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.190 0.713 -16.425 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.897 0.438 -16.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.284 -0.119 -18.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.365 1.191 -18.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.711 1.456 -18.673 1.00 0.00 H new ATOM 143 N ASN A 10 -7.178 4.118 -13.017 1.00 0.00 N ATOM 144 CA ASN A 10 -8.441 3.559 -12.568 1.00 0.00 C ATOM 145 C ASN A 10 -8.795 4.144 -11.199 1.00 0.00 C ATOM 146 O ASN A 10 -9.489 3.507 -10.408 1.00 0.00 O ATOM 147 CB ASN A 10 -8.351 2.039 -12.424 1.00 0.00 C ATOM 148 CG ASN A 10 -9.616 1.362 -12.954 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.038 1.570 -14.080 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.196 0.541 -12.083 1.00 0.00 N ATOM 0 H ASN A 10 -6.422 4.067 -12.334 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.201 3.806 -13.309 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.482 1.670 -12.968 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.206 1.777 -11.376 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.046 0.040 -12.342 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.791 0.412 -11.156 1.00 0.00 H new ATOM 157 N GLY A 11 -8.301 5.350 -10.961 1.00 0.00 N ATOM 158 CA GLY A 11 -8.556 6.028 -9.701 1.00 0.00 C ATOM 159 C GLY A 11 -7.323 5.986 -8.796 1.00 0.00 C ATOM 160 O GLY A 11 -6.867 4.910 -8.411 1.00 0.00 O ATOM 0 H GLY A 11 -7.725 5.875 -11.619 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.836 7.064 -9.892 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.399 5.558 -9.195 1.00 0.00 H new ATOM 164 N ASP A 12 -6.818 7.170 -8.483 1.00 0.00 N ATOM 165 CA ASP A 12 -5.646 7.282 -7.630 1.00 0.00 C ATOM 166 C ASP A 12 -5.917 6.571 -6.303 1.00 0.00 C ATOM 167 O ASP A 12 -7.069 6.406 -5.907 1.00 0.00 O ATOM 168 CB ASP A 12 -5.325 8.746 -7.326 1.00 0.00 C ATOM 169 CG ASP A 12 -6.340 9.458 -6.429 1.00 0.00 C ATOM 170 OD1 ASP A 12 -7.256 10.137 -6.916 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.160 9.292 -5.163 1.00 0.00 O ATOM 0 H ASP A 12 -7.198 8.060 -8.804 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.803 6.829 -8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.345 8.796 -6.851 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.251 9.289 -8.268 1.00 0.00 H new ATOM 177 N VAL A 13 -4.835 6.169 -5.652 1.00 0.00 N ATOM 178 CA VAL A 13 -4.941 5.480 -4.378 1.00 0.00 C ATOM 179 C VAL A 13 -4.226 6.297 -3.299 1.00 0.00 C ATOM 180 O VAL A 13 -3.055 6.641 -3.450 1.00 0.00 O ATOM 181 CB VAL A 13 -4.398 4.056 -4.506 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.531 3.297 -3.184 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.093 3.304 -5.642 1.00 0.00 C ATOM 0 H VAL A 13 -3.880 6.308 -5.984 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.985 5.390 -4.079 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.337 4.123 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.138 2.287 -3.303 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.969 3.817 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.582 3.246 -2.898 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.688 2.294 -5.711 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.163 3.253 -5.443 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.923 3.828 -6.583 1.00 0.00 H new ATOM 193 N LYS A 14 -4.962 6.585 -2.236 1.00 0.00 N ATOM 194 CA LYS A 14 -4.413 7.356 -1.133 1.00 0.00 C ATOM 195 C LYS A 14 -3.792 6.403 -0.110 1.00 0.00 C ATOM 196 O LYS A 14 -4.505 5.673 0.577 1.00 0.00 O ATOM 197 CB LYS A 14 -5.479 8.282 -0.543 1.00 0.00 C ATOM 198 CG LYS A 14 -4.842 9.372 0.320 1.00 0.00 C ATOM 199 CD LYS A 14 -4.213 8.776 1.581 1.00 0.00 C ATOM 200 CE LYS A 14 -4.525 9.634 2.808 1.00 0.00 C ATOM 201 NZ LYS A 14 -5.972 9.589 3.117 1.00 0.00 N ATOM 0 H LYS A 14 -5.933 6.299 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.616 8.010 -1.485 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.054 8.740 -1.348 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.179 7.701 0.057 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.081 9.899 -0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.597 10.108 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.588 7.764 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.133 8.699 1.452 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.953 9.277 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.218 10.664 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -6.117 9.776 4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.469 10.311 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.348 8.649 2.881 1.00 0.00 H new ATOM 214 N PHE A 15 -2.469 6.441 -0.040 1.00 0.00 N ATOM 215 CA PHE A 15 -1.744 5.590 0.888 1.00 0.00 C ATOM 216 C PHE A 15 -1.098 6.418 2.001 1.00 0.00 C ATOM 217 O PHE A 15 -0.302 7.322 1.763 1.00 0.00 O ATOM 218 CB PHE A 15 -0.645 4.889 0.086 1.00 0.00 C ATOM 219 CG PHE A 15 0.267 3.997 0.930 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.247 2.916 1.576 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.592 4.284 1.035 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.600 2.087 2.359 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.439 3.456 1.818 1.00 0.00 C ATOM 224 CZ PHE A 15 1.925 2.375 2.463 1.00 0.00 C ATOM 0 H PHE A 15 -1.881 7.048 -0.611 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.427 4.878 1.352 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.108 4.284 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.037 5.643 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.299 2.688 1.494 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.000 5.142 0.522 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.192 1.228 2.871 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.491 3.685 1.901 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.569 1.745 3.058 1.00 0.00 H new ATOM 234 N PRO A 16 -1.466 6.081 3.239 1.00 0.00 N ATOM 235 CA PRO A 16 -0.979 6.729 4.439 1.00 0.00 C ATOM 236 C PRO A 16 0.323 6.074 4.879 1.00 0.00 C ATOM 237 O PRO A 16 0.272 5.053 5.563 1.00 0.00 O ATOM 238 CB PRO A 16 -2.079 6.511 5.475 1.00 0.00 C ATOM 239 CG PRO A 16 -2.628 5.135 5.061 1.00 0.00 C ATOM 240 CD PRO A 16 -2.400 5.023 3.555 1.00 0.00 C ATOM 0 HA PRO A 16 -0.770 7.789 4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.688 6.507 6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.843 7.287 5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.114 4.334 5.593 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.688 5.050 5.302 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.995 4.047 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.333 5.143 3.004 1.00 0.00 H new ATOM 248 N HIS A 17 1.444 6.660 4.487 1.00 0.00 N ATOM 249 CA HIS A 17 2.741 6.115 4.853 1.00 0.00 C ATOM 250 C HIS A 17 3.088 6.531 6.284 1.00 0.00 C ATOM 251 O HIS A 17 4.177 7.043 6.538 1.00 0.00 O ATOM 252 CB HIS A 17 3.809 6.529 3.839 1.00 0.00 C ATOM 253 CG HIS A 17 5.160 5.896 4.077 1.00 0.00 C ATOM 254 ND1 HIS A 17 6.019 6.317 5.077 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.788 4.869 3.437 1.00 0.00 C ATOM 256 CE1 HIS A 17 7.113 5.570 5.030 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.968 4.674 4.012 1.00 0.00 N ATOM 0 H HIS A 17 1.482 7.507 3.920 1.00 0.00 H new ATOM 0 HA HIS A 17 2.702 5.026 4.829 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.467 6.265 2.838 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.918 7.613 3.863 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.841 7.073 5.738 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.392 4.309 2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.969 5.656 5.683 1.00 0.00 H new ATOM 265 N LYS A 18 2.141 6.296 7.180 1.00 0.00 N ATOM 266 CA LYS A 18 2.333 6.640 8.579 1.00 0.00 C ATOM 267 C LYS A 18 1.740 5.536 9.457 1.00 0.00 C ATOM 268 O LYS A 18 2.472 4.818 10.136 1.00 0.00 O ATOM 269 CB LYS A 18 1.764 8.030 8.871 1.00 0.00 C ATOM 270 CG LYS A 18 1.290 8.135 10.322 1.00 0.00 C ATOM 271 CD LYS A 18 0.835 9.558 10.649 1.00 0.00 C ATOM 272 CE LYS A 18 1.385 10.013 12.002 1.00 0.00 C ATOM 273 NZ LYS A 18 0.919 11.382 12.318 1.00 0.00 N ATOM 0 H LYS A 18 1.239 5.872 6.965 1.00 0.00 H new ATOM 0 HA LYS A 18 3.396 6.699 8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.525 8.786 8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.932 8.235 8.197 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.468 7.439 10.491 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.098 7.844 10.994 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.172 10.240 9.868 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.254 9.601 10.662 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.063 9.324 12.782 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.475 9.988 11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.302 11.675 13.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.248 12.039 11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.120 11.395 12.355 1.00 0.00 H new ATOM 286 N ALA A 19 0.420 5.436 9.415 1.00 0.00 N ATOM 287 CA ALA A 19 -0.280 4.431 10.199 1.00 0.00 C ATOM 288 C ALA A 19 0.296 3.050 9.880 1.00 0.00 C ATOM 289 O ALA A 19 0.204 2.132 10.694 1.00 0.00 O ATOM 290 CB ALA A 19 -1.781 4.517 9.916 1.00 0.00 C ATOM 0 H ALA A 19 -0.184 6.034 8.851 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.139 4.609 11.265 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.306 3.764 10.504 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.146 5.508 10.187 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.962 4.341 8.856 1.00 0.00 H new ATOM 296 N HIS A 20 0.877 2.946 8.694 1.00 0.00 N ATOM 297 CA HIS A 20 1.468 1.692 8.258 1.00 0.00 C ATOM 298 C HIS A 20 2.822 1.497 8.943 1.00 0.00 C ATOM 299 O HIS A 20 3.496 0.493 8.719 1.00 0.00 O ATOM 300 CB HIS A 20 1.563 1.638 6.732 1.00 0.00 C ATOM 301 CG HIS A 20 0.256 1.317 6.046 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.656 2.291 5.678 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.282 0.123 5.666 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.692 1.698 5.103 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.458 0.354 5.097 1.00 0.00 N ATOM 0 H HIS A 20 0.951 3.709 8.021 1.00 0.00 H new ATOM 0 HA HIS A 20 0.827 0.862 8.554 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.927 2.598 6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.303 0.889 6.451 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.549 3.295 5.825 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.172 -0.847 5.805 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.568 2.192 4.708 1.00 0.00 H new ATOM 313 N GLN A 21 3.179 2.473 9.765 1.00 0.00 N ATOM 314 CA GLN A 21 4.441 2.421 10.484 1.00 0.00 C ATOM 315 C GLN A 21 4.233 1.822 11.877 1.00 0.00 C ATOM 316 O GLN A 21 4.906 0.862 12.250 1.00 0.00 O ATOM 317 CB GLN A 21 5.078 3.809 10.574 1.00 0.00 C ATOM 318 CG GLN A 21 5.434 4.339 9.183 1.00 0.00 C ATOM 319 CD GLN A 21 5.651 5.854 9.214 1.00 0.00 C ATOM 320 OE1 GLN A 21 5.161 6.560 10.080 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.411 6.311 8.223 1.00 0.00 N ATOM 0 H GLN A 21 2.617 3.304 9.949 1.00 0.00 H new ATOM 0 HA GLN A 21 5.126 1.778 9.931 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.390 4.498 11.065 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.976 3.762 11.190 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.336 3.846 8.822 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.636 4.096 8.482 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.790 5.664 7.531 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.615 7.308 8.155 1.00 0.00 H new ATOM 330 N LYS A 22 3.299 2.413 12.607 1.00 0.00 N ATOM 331 CA LYS A 22 2.994 1.949 13.950 1.00 0.00 C ATOM 332 C LYS A 22 2.363 0.558 13.874 1.00 0.00 C ATOM 333 O LYS A 22 2.463 -0.226 14.817 1.00 0.00 O ATOM 334 CB LYS A 22 2.133 2.976 14.688 1.00 0.00 C ATOM 335 CG LYS A 22 2.956 4.208 15.072 1.00 0.00 C ATOM 336 CD LYS A 22 3.406 4.133 16.532 1.00 0.00 C ATOM 337 CE LYS A 22 3.045 5.416 17.283 1.00 0.00 C ATOM 338 NZ LYS A 22 2.532 5.099 18.635 1.00 0.00 N ATOM 0 H LYS A 22 2.743 3.209 12.294 1.00 0.00 H new ATOM 0 HA LYS A 22 3.908 1.852 14.537 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.297 3.276 14.056 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.709 2.523 15.585 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.828 4.284 14.422 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.363 5.109 14.916 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.936 3.278 17.018 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.483 3.972 16.577 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.923 6.057 17.362 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.293 5.972 16.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.292 5.981 19.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.682 4.505 18.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.261 4.588 19.172 1.00 0.00 H new ATOM 351 N ALA A 23 1.726 0.293 12.742 1.00 0.00 N ATOM 352 CA ALA A 23 1.079 -0.990 12.531 1.00 0.00 C ATOM 353 C ALA A 23 2.119 -2.011 12.064 1.00 0.00 C ATOM 354 O ALA A 23 1.968 -3.209 12.300 1.00 0.00 O ATOM 355 CB ALA A 23 -0.067 -0.826 11.530 1.00 0.00 C ATOM 0 H ALA A 23 1.645 0.945 11.962 1.00 0.00 H new ATOM 0 HA ALA A 23 0.649 -1.360 13.462 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.552 -1.789 11.372 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.793 -0.114 11.922 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.327 -0.458 10.583 1.00 0.00 H new ATOM 361 N VAL A 24 3.151 -1.499 11.411 1.00 0.00 N ATOM 362 CA VAL A 24 4.216 -2.351 10.909 1.00 0.00 C ATOM 363 C VAL A 24 5.562 -1.653 11.115 1.00 0.00 C ATOM 364 O VAL A 24 6.278 -1.325 10.171 1.00 0.00 O ATOM 365 CB VAL A 24 3.949 -2.716 9.447 1.00 0.00 C ATOM 366 CG1 VAL A 24 5.042 -3.640 8.905 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.565 -3.348 9.284 1.00 0.00 C ATOM 0 H VAL A 24 3.273 -0.505 11.218 1.00 0.00 H new ATOM 0 HA VAL A 24 4.248 -3.289 11.464 1.00 0.00 H new ATOM 0 HB VAL A 24 3.968 -1.796 8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.829 -3.884 7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.008 -3.138 8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.069 -4.556 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.400 -3.598 8.236 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.506 -4.254 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.802 -2.643 9.613 1.00 0.00 H new ATOM 377 N PRO A 25 5.893 -1.431 12.389 1.00 0.00 N ATOM 378 CA PRO A 25 7.118 -0.787 12.813 1.00 0.00 C ATOM 379 C PRO A 25 8.278 -1.287 11.964 1.00 0.00 C ATOM 380 O PRO A 25 9.257 -0.559 11.807 1.00 0.00 O ATOM 381 CB PRO A 25 7.291 -1.199 14.273 1.00 0.00 C ATOM 382 CG PRO A 25 5.853 -1.322 14.745 1.00 0.00 C ATOM 383 CD PRO A 25 5.075 -1.803 13.522 1.00 0.00 C ATOM 0 HA PRO A 25 7.088 0.297 12.703 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.833 -2.140 14.369 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.844 -0.453 14.844 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.768 -2.029 15.570 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.472 -0.366 15.104 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.913 -2.880 13.556 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.092 -1.335 13.470 1.00 0.00 H new ATOM 391 N ASP A 26 8.153 -2.499 11.441 1.00 0.00 N ATOM 392 CA ASP A 26 9.203 -3.071 10.617 1.00 0.00 C ATOM 393 C ASP A 26 9.123 -2.474 9.210 1.00 0.00 C ATOM 394 O ASP A 26 8.141 -2.681 8.499 1.00 0.00 O ATOM 395 CB ASP A 26 9.045 -4.588 10.496 1.00 0.00 C ATOM 396 CG ASP A 26 10.097 -5.281 9.629 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.983 -4.629 9.056 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.981 -6.563 9.551 1.00 0.00 O ATOM 0 H ASP A 26 7.340 -3.100 11.573 1.00 0.00 H new ATOM 0 HA ASP A 26 10.160 -2.845 11.087 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.076 -5.022 11.495 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.059 -4.804 10.086 1.00 0.00 H new ATOM 404 N CYS A 27 10.170 -1.745 8.851 1.00 0.00 N ATOM 405 CA CYS A 27 10.230 -1.117 7.542 1.00 0.00 C ATOM 406 C CYS A 27 10.812 -2.127 6.551 1.00 0.00 C ATOM 407 O CYS A 27 10.678 -1.961 5.339 1.00 0.00 O ATOM 408 CB CYS A 27 11.039 0.181 7.574 1.00 0.00 C ATOM 409 SG CYS A 27 10.880 1.145 9.122 1.00 0.00 S ATOM 0 H CYS A 27 10.983 -1.575 9.443 1.00 0.00 H new ATOM 0 HA CYS A 27 9.226 -0.835 7.225 1.00 0.00 H new ATOM 0 HB2 CYS A 27 12.091 -0.059 7.418 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.728 0.808 6.738 1.00 0.00 H new ATOM 414 N LYS A 28 11.446 -3.152 7.102 1.00 0.00 N ATOM 415 CA LYS A 28 12.049 -4.188 6.282 1.00 0.00 C ATOM 416 C LYS A 28 10.951 -5.103 5.736 1.00 0.00 C ATOM 417 O LYS A 28 11.224 -5.997 4.935 1.00 0.00 O ATOM 418 CB LYS A 28 13.134 -4.929 7.067 1.00 0.00 C ATOM 419 CG LYS A 28 14.246 -3.973 7.502 1.00 0.00 C ATOM 420 CD LYS A 28 15.624 -4.551 7.176 1.00 0.00 C ATOM 421 CE LYS A 28 16.727 -3.784 7.910 1.00 0.00 C ATOM 422 NZ LYS A 28 18.015 -4.507 7.811 1.00 0.00 N ATOM 0 H LYS A 28 11.555 -3.287 8.107 1.00 0.00 H new ATOM 0 HA LYS A 28 12.555 -3.748 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.694 -5.403 7.944 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.554 -5.725 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.122 -3.013 7.000 1.00 0.00 H new ATOM 0 HG3 LYS A 28 14.171 -3.785 8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.657 -5.603 7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.797 -4.504 6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.830 -2.786 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 28 16.454 -3.657 8.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.752 -3.973 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 17.918 -5.450 8.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 18.281 -4.606 6.811 1.00 0.00 H new ATOM 435 N LYS A 29 9.733 -4.849 6.190 1.00 0.00 N ATOM 436 CA LYS A 29 8.593 -5.639 5.757 1.00 0.00 C ATOM 437 C LYS A 29 8.333 -5.380 4.272 1.00 0.00 C ATOM 438 O LYS A 29 8.260 -6.317 3.478 1.00 0.00 O ATOM 439 CB LYS A 29 7.381 -5.365 6.651 1.00 0.00 C ATOM 440 CG LYS A 29 7.257 -6.425 7.747 1.00 0.00 C ATOM 441 CD LYS A 29 6.778 -7.758 7.169 1.00 0.00 C ATOM 442 CE LYS A 29 5.505 -8.235 7.872 1.00 0.00 C ATOM 443 NZ LYS A 29 5.523 -9.706 8.035 1.00 0.00 N ATOM 0 H LYS A 29 9.510 -4.107 6.854 1.00 0.00 H new ATOM 0 HA LYS A 29 8.804 -6.703 5.863 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.474 -4.378 7.104 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.474 -5.354 6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.221 -6.562 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.558 -6.084 8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.589 -7.648 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.561 -8.508 7.278 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.420 -7.756 8.847 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.630 -7.938 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.652 -10.013 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.582 -10.158 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.347 -9.982 8.606 1.00 0.00 H new ATOM 456 N CYS A 30 8.200 -4.104 3.941 1.00 0.00 N ATOM 457 CA CYS A 30 7.950 -3.710 2.565 1.00 0.00 C ATOM 458 C CYS A 30 9.292 -3.381 1.908 1.00 0.00 C ATOM 459 O CYS A 30 9.618 -3.918 0.851 1.00 0.00 O ATOM 460 CB CYS A 30 6.971 -2.537 2.482 1.00 0.00 C ATOM 461 SG CYS A 30 5.561 -2.817 3.615 1.00 0.00 S ATOM 0 H CYS A 30 8.261 -3.330 4.602 1.00 0.00 H new ATOM 0 HA CYS A 30 7.476 -4.532 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.480 -1.609 2.743 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.610 -2.426 1.460 1.00 0.00 H new ATOM 466 N HIS A 31 10.034 -2.499 2.562 1.00 0.00 N ATOM 467 CA HIS A 31 11.333 -2.092 2.055 1.00 0.00 C ATOM 468 C HIS A 31 12.329 -3.243 2.211 1.00 0.00 C ATOM 469 O HIS A 31 12.790 -3.524 3.316 1.00 0.00 O ATOM 470 CB HIS A 31 11.804 -0.805 2.736 1.00 0.00 C ATOM 471 CG HIS A 31 10.885 0.375 2.521 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.644 0.920 1.272 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.151 1.105 3.409 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.802 1.933 1.414 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.498 2.047 2.739 1.00 0.00 N ATOM 0 H HIS A 31 9.760 -2.055 3.439 1.00 0.00 H new ATOM 0 HA HIS A 31 11.256 -1.865 0.992 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.901 -0.987 3.806 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.797 -0.552 2.364 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.046 0.597 0.392 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.108 0.944 4.476 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.423 2.559 0.620 1.00 0.00 H new ATOM 483 N GLU A 32 12.632 -3.877 1.087 1.00 0.00 N ATOM 484 CA GLU A 32 13.565 -4.991 1.085 1.00 0.00 C ATOM 485 C GLU A 32 15.002 -4.480 0.966 1.00 0.00 C ATOM 486 O GLU A 32 15.872 -4.876 1.740 1.00 0.00 O ATOM 487 CB GLU A 32 13.238 -5.977 -0.038 1.00 0.00 C ATOM 488 CG GLU A 32 13.104 -7.401 0.505 1.00 0.00 C ATOM 489 CD GLU A 32 12.596 -8.355 -0.578 1.00 0.00 C ATOM 490 OE1 GLU A 32 12.723 -8.058 -1.776 1.00 0.00 O ATOM 491 OE2 GLU A 32 12.055 -9.441 -0.139 1.00 0.00 O ATOM 0 H GLU A 32 12.248 -3.640 0.172 1.00 0.00 H new ATOM 0 HA GLU A 32 13.468 -5.523 2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.310 -5.682 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.022 -5.945 -0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.070 -7.746 0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.418 -7.408 1.352 1.00 0.00 H new ATOM 499 N LYS A 33 15.207 -3.607 -0.010 1.00 0.00 N ATOM 500 CA LYS A 33 16.523 -3.038 -0.241 1.00 0.00 C ATOM 501 C LYS A 33 16.655 -1.732 0.545 1.00 0.00 C ATOM 502 O LYS A 33 17.355 -0.815 0.120 1.00 0.00 O ATOM 503 CB LYS A 33 16.784 -2.881 -1.741 1.00 0.00 C ATOM 504 CG LYS A 33 16.769 -4.240 -2.445 1.00 0.00 C ATOM 505 CD LYS A 33 17.936 -4.361 -3.427 1.00 0.00 C ATOM 506 CE LYS A 33 17.477 -4.974 -4.751 1.00 0.00 C ATOM 507 NZ LYS A 33 18.444 -5.995 -5.213 1.00 0.00 N ATOM 0 H LYS A 33 14.483 -3.280 -0.650 1.00 0.00 H new ATOM 0 HA LYS A 33 17.298 -3.711 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.026 -2.232 -2.180 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.748 -2.397 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.828 -5.038 -1.705 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.826 -4.368 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.367 -3.376 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.721 -4.977 -2.990 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.493 -5.426 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.376 -4.193 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.117 -6.401 -6.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.376 -5.554 -5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.520 -6.749 -4.501 1.00 0.00 H new ATOM 520 N GLY A 34 15.970 -1.691 1.679 1.00 0.00 N ATOM 521 CA GLY A 34 16.001 -0.512 2.529 1.00 0.00 C ATOM 522 C GLY A 34 14.935 0.499 2.104 1.00 0.00 C ATOM 523 O GLY A 34 14.301 0.379 1.058 1.00 0.00 O ATOM 0 H GLY A 34 15.391 -2.454 2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.838 -0.803 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.987 -0.049 2.479 1.00 0.00 H new ATOM 527 N PRO A 35 14.750 1.513 2.952 1.00 0.00 N ATOM 528 CA PRO A 35 13.796 2.582 2.749 1.00 0.00 C ATOM 529 C PRO A 35 14.047 3.241 1.400 1.00 0.00 C ATOM 530 O PRO A 35 15.207 3.401 1.023 1.00 0.00 O ATOM 531 CB PRO A 35 14.056 3.561 3.892 1.00 0.00 C ATOM 532 CG PRO A 35 15.451 3.189 4.457 1.00 0.00 C ATOM 533 CD PRO A 35 15.478 1.686 4.191 1.00 0.00 C ATOM 0 HA PRO A 35 12.763 2.234 2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.040 4.591 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.288 3.478 4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.257 3.714 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.543 3.422 5.518 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.501 1.319 4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.010 1.132 5.005 1.00 0.00 H new ATOM 541 N GLY A 36 12.976 3.603 0.708 1.00 0.00 N ATOM 542 CA GLY A 36 13.106 4.238 -0.592 1.00 0.00 C ATOM 543 C GLY A 36 12.052 3.709 -1.568 1.00 0.00 C ATOM 544 O GLY A 36 11.090 3.062 -1.157 1.00 0.00 O ATOM 0 H GLY A 36 12.015 3.469 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.999 5.318 -0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.103 4.054 -0.993 1.00 0.00 H new ATOM 548 N LYS A 37 12.270 4.004 -2.841 1.00 0.00 N ATOM 549 CA LYS A 37 11.351 3.566 -3.878 1.00 0.00 C ATOM 550 C LYS A 37 11.449 2.047 -4.032 1.00 0.00 C ATOM 551 O LYS A 37 12.498 1.459 -3.771 1.00 0.00 O ATOM 552 CB LYS A 37 11.605 4.333 -5.178 1.00 0.00 C ATOM 553 CG LYS A 37 10.835 5.655 -5.193 1.00 0.00 C ATOM 554 CD LYS A 37 11.778 6.841 -4.981 1.00 0.00 C ATOM 555 CE LYS A 37 11.810 7.743 -6.217 1.00 0.00 C ATOM 556 NZ LYS A 37 13.178 8.262 -6.444 1.00 0.00 N ATOM 0 H LYS A 37 13.069 4.541 -3.178 1.00 0.00 H new ATOM 0 HA LYS A 37 10.323 3.793 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.672 4.528 -5.287 1.00 0.00 H new ATOM 0 HB3 LYS A 37 11.304 3.723 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.314 5.766 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.075 5.646 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.455 7.417 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.783 6.478 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.477 7.184 -7.091 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.116 8.574 -6.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.183 8.872 -7.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.482 8.813 -5.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.832 7.466 -6.590 1.00 0.00 H new ATOM 569 N ILE A 38 10.342 1.454 -4.456 1.00 0.00 N ATOM 570 CA ILE A 38 10.290 0.015 -4.648 1.00 0.00 C ATOM 571 C ILE A 38 10.267 -0.295 -6.146 1.00 0.00 C ATOM 572 O ILE A 38 9.350 0.116 -6.854 1.00 0.00 O ATOM 573 CB ILE A 38 9.113 -0.586 -3.878 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.181 -0.214 -2.395 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.036 -2.100 -4.086 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.870 -0.557 -1.683 1.00 0.00 C ATOM 0 H ILE A 38 9.474 1.945 -4.672 1.00 0.00 H new ATOM 0 HA ILE A 38 11.183 -0.456 -4.238 1.00 0.00 H new ATOM 0 HB ILE A 38 8.192 -0.160 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.006 -0.745 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.387 0.852 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.190 -2.501 -3.527 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.906 -2.315 -5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 38 9.957 -2.563 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.945 -0.283 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.050 -0.006 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.680 -1.627 -1.766 1.00 0.00 H new ATOM 588 N GLU A 39 11.288 -1.017 -6.584 1.00 0.00 N ATOM 589 CA GLU A 39 11.397 -1.387 -7.985 1.00 0.00 C ATOM 590 C GLU A 39 10.579 -2.649 -8.266 1.00 0.00 C ATOM 591 O GLU A 39 10.671 -3.629 -7.528 1.00 0.00 O ATOM 592 CB GLU A 39 12.860 -1.580 -8.389 1.00 0.00 C ATOM 593 CG GLU A 39 13.468 -2.794 -7.683 1.00 0.00 C ATOM 594 CD GLU A 39 14.997 -2.740 -7.718 1.00 0.00 C ATOM 595 OE1 GLU A 39 15.583 -2.477 -8.778 1.00 0.00 O ATOM 596 OE2 GLU A 39 15.577 -2.984 -6.592 1.00 0.00 O ATOM 0 H GLU A 39 12.047 -1.356 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 39 10.992 -0.574 -8.588 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.929 -1.711 -9.469 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.431 -0.686 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.125 -2.827 -6.649 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.122 -3.709 -8.163 1.00 0.00 H new ATOM 604 N GLY A 40 9.797 -2.584 -9.333 1.00 0.00 N ATOM 605 CA GLY A 40 8.964 -3.709 -9.721 1.00 0.00 C ATOM 606 C GLY A 40 7.497 -3.452 -9.367 1.00 0.00 C ATOM 607 O GLY A 40 6.600 -3.803 -10.132 1.00 0.00 O ATOM 0 H GLY A 40 9.723 -1.769 -9.942 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.058 -3.883 -10.793 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.310 -4.613 -9.219 1.00 0.00 H new ATOM 611 N PHE A 41 7.300 -2.842 -8.208 1.00 0.00 N ATOM 612 CA PHE A 41 5.958 -2.534 -7.744 1.00 0.00 C ATOM 613 C PHE A 41 5.034 -2.204 -8.917 1.00 0.00 C ATOM 614 O PHE A 41 5.484 -1.692 -9.941 1.00 0.00 O ATOM 615 CB PHE A 41 6.068 -1.307 -6.836 1.00 0.00 C ATOM 616 CG PHE A 41 4.756 -0.919 -6.152 1.00 0.00 C ATOM 617 CD1 PHE A 41 3.875 -0.101 -6.786 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.472 -1.392 -4.909 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.657 0.259 -6.150 1.00 0.00 C ATOM 620 CE2 PHE A 41 3.254 -1.032 -4.273 1.00 0.00 C ATOM 621 CZ PHE A 41 2.372 -0.214 -4.907 1.00 0.00 C ATOM 0 H PHE A 41 8.047 -2.553 -7.576 1.00 0.00 H new ATOM 0 HA PHE A 41 5.541 -3.393 -7.218 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.821 -1.500 -6.072 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.422 -0.462 -7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.101 0.275 -7.773 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.173 -2.041 -4.405 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.957 0.909 -6.654 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.028 -1.408 -3.286 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.446 0.060 -4.424 1.00 0.00 H new ATOM 631 N GLY A 42 3.758 -2.511 -8.730 1.00 0.00 N ATOM 632 CA GLY A 42 2.767 -2.253 -9.760 1.00 0.00 C ATOM 633 C GLY A 42 1.391 -2.773 -9.340 1.00 0.00 C ATOM 634 O GLY A 42 1.141 -2.989 -8.155 1.00 0.00 O ATOM 0 H GLY A 42 3.388 -2.936 -7.880 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.711 -1.182 -9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.072 -2.731 -10.691 1.00 0.00 H new ATOM 638 N LYS A 43 0.534 -2.957 -10.333 1.00 0.00 N ATOM 639 CA LYS A 43 -0.810 -3.447 -10.081 1.00 0.00 C ATOM 640 C LYS A 43 -0.731 -4.800 -9.371 1.00 0.00 C ATOM 641 O LYS A 43 -0.918 -4.880 -8.158 1.00 0.00 O ATOM 642 CB LYS A 43 -1.621 -3.479 -11.378 1.00 0.00 C ATOM 643 CG LYS A 43 -3.120 -3.569 -11.086 1.00 0.00 C ATOM 644 CD LYS A 43 -3.809 -4.538 -12.048 1.00 0.00 C ATOM 645 CE LYS A 43 -5.023 -3.883 -12.711 1.00 0.00 C ATOM 646 NZ LYS A 43 -5.545 -4.740 -13.798 1.00 0.00 N ATOM 0 H LYS A 43 0.745 -2.775 -11.314 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.344 -2.769 -9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.414 -2.583 -11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.313 -4.332 -11.983 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.275 -3.899 -10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.571 -2.581 -11.175 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.102 -4.861 -12.813 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.123 -5.431 -11.507 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.802 -3.712 -11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.745 -2.908 -13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.368 -4.281 -14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.805 -4.882 -14.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.830 -5.661 -13.408 1.00 0.00 H new ATOM 659 N GLU A 44 -0.453 -5.829 -10.158 1.00 0.00 N ATOM 660 CA GLU A 44 -0.347 -7.175 -9.620 1.00 0.00 C ATOM 661 C GLU A 44 0.258 -7.138 -8.215 1.00 0.00 C ATOM 662 O GLU A 44 -0.148 -7.902 -7.340 1.00 0.00 O ATOM 663 CB GLU A 44 0.475 -8.073 -10.547 1.00 0.00 C ATOM 664 CG GLU A 44 -0.360 -8.536 -11.743 1.00 0.00 C ATOM 665 CD GLU A 44 -1.508 -7.563 -12.020 1.00 0.00 C ATOM 666 OE1 GLU A 44 -2.620 -7.754 -11.506 1.00 0.00 O ATOM 667 OE2 GLU A 44 -1.212 -6.578 -12.799 1.00 0.00 O ATOM 0 H GLU A 44 -0.298 -5.758 -11.164 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.349 -7.599 -9.553 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.353 -7.532 -10.899 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.836 -8.940 -9.993 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.275 -8.615 -12.625 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.761 -9.531 -11.548 1.00 0.00 H new ATOM 675 N MET A 45 1.219 -6.243 -8.042 1.00 0.00 N ATOM 676 CA MET A 45 1.884 -6.097 -6.758 1.00 0.00 C ATOM 677 C MET A 45 0.936 -5.503 -5.714 1.00 0.00 C ATOM 678 O MET A 45 0.715 -6.098 -4.661 1.00 0.00 O ATOM 679 CB MET A 45 3.105 -5.188 -6.915 1.00 0.00 C ATOM 680 CG MET A 45 4.313 -5.759 -6.171 1.00 0.00 C ATOM 681 SD MET A 45 3.998 -5.771 -4.414 1.00 0.00 S ATOM 682 CE MET A 45 5.606 -6.262 -3.814 1.00 0.00 C ATOM 0 H MET A 45 1.553 -5.611 -8.770 1.00 0.00 H new ATOM 0 HA MET A 45 2.197 -7.084 -6.418 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.345 -5.075 -7.972 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.874 -4.194 -6.532 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.519 -6.771 -6.519 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.199 -5.161 -6.386 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.586 -6.319 -2.726 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.865 -7.238 -4.224 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.350 -5.529 -4.125 1.00 0.00 H new ATOM 692 N ALA A 46 0.401 -4.336 -6.043 1.00 0.00 N ATOM 693 CA ALA A 46 -0.518 -3.655 -5.148 1.00 0.00 C ATOM 694 C ALA A 46 -1.630 -4.621 -4.733 1.00 0.00 C ATOM 695 O ALA A 46 -1.884 -4.807 -3.544 1.00 0.00 O ATOM 696 CB ALA A 46 -1.062 -2.399 -5.832 1.00 0.00 C ATOM 0 H ALA A 46 0.587 -3.845 -6.918 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.004 -3.335 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.752 -1.888 -5.160 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.236 -1.732 -6.079 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.587 -2.680 -6.745 1.00 0.00 H new ATOM 702 N HIS A 47 -2.262 -5.211 -5.737 1.00 0.00 N ATOM 703 CA HIS A 47 -3.341 -6.153 -5.492 1.00 0.00 C ATOM 704 C HIS A 47 -2.774 -7.433 -4.874 1.00 0.00 C ATOM 705 O HIS A 47 -3.422 -8.064 -4.041 1.00 0.00 O ATOM 706 CB HIS A 47 -4.135 -6.415 -6.773 1.00 0.00 C ATOM 707 CG HIS A 47 -4.705 -5.168 -7.408 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.904 -5.046 -8.772 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.115 -3.993 -6.852 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.411 -3.846 -9.014 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.541 -3.195 -7.823 1.00 0.00 N ATOM 0 H HIS A 47 -2.048 -5.055 -6.722 1.00 0.00 H new ATOM 0 HA HIS A 47 -4.045 -5.727 -4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.488 -6.914 -7.494 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.951 -7.102 -6.548 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -4.696 -5.758 -9.472 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.096 -3.752 -5.799 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.675 -3.452 -9.984 1.00 0.00 H new ATOM 719 N GLY A 48 -1.569 -7.777 -5.306 1.00 0.00 N ATOM 720 CA GLY A 48 -0.907 -8.970 -4.806 1.00 0.00 C ATOM 721 C GLY A 48 -0.411 -8.762 -3.374 1.00 0.00 C ATOM 722 O GLY A 48 -1.148 -8.262 -2.524 1.00 0.00 O ATOM 0 H GLY A 48 -1.034 -7.250 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.597 -9.813 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.067 -9.222 -5.453 1.00 0.00 H new ATOM 726 N LYS A 49 0.834 -9.156 -3.150 1.00 0.00 N ATOM 727 CA LYS A 49 1.436 -9.019 -1.835 1.00 0.00 C ATOM 728 C LYS A 49 2.057 -7.627 -1.706 1.00 0.00 C ATOM 729 O LYS A 49 3.113 -7.469 -1.095 1.00 0.00 O ATOM 730 CB LYS A 49 2.424 -10.159 -1.577 1.00 0.00 C ATOM 731 CG LYS A 49 1.687 -11.473 -1.309 1.00 0.00 C ATOM 732 CD LYS A 49 2.607 -12.674 -1.536 1.00 0.00 C ATOM 733 CE LYS A 49 3.449 -12.963 -0.292 1.00 0.00 C ATOM 734 NZ LYS A 49 3.545 -14.421 -0.057 1.00 0.00 N ATOM 0 H LYS A 49 1.442 -9.570 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 49 0.677 -9.103 -1.058 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.082 -10.276 -2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.056 -9.912 -0.724 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.316 -11.483 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.818 -11.547 -1.963 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.011 -13.551 -1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.262 -12.480 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.447 -12.542 -0.416 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.004 -12.477 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.120 -14.599 0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.592 -14.814 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.991 -14.877 -0.879 1.00 0.00 H new ATOM 747 N GLY A 50 1.375 -6.653 -2.290 1.00 0.00 N ATOM 748 CA GLY A 50 1.847 -5.279 -2.248 1.00 0.00 C ATOM 749 C GLY A 50 0.998 -4.438 -1.292 1.00 0.00 C ATOM 750 O GLY A 50 1.533 -3.743 -0.430 1.00 0.00 O ATOM 0 H GLY A 50 0.499 -6.788 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.889 -5.258 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.811 -4.847 -3.248 1.00 0.00 H new ATOM 754 N CYS A 51 -0.310 -4.528 -1.478 1.00 0.00 N ATOM 755 CA CYS A 51 -1.238 -3.783 -0.643 1.00 0.00 C ATOM 756 C CYS A 51 -2.280 -4.760 -0.095 1.00 0.00 C ATOM 757 O CYS A 51 -2.126 -5.284 1.008 1.00 0.00 O ATOM 758 CB CYS A 51 -1.885 -2.627 -1.408 1.00 0.00 C ATOM 759 SG CYS A 51 -0.712 -1.374 -2.042 1.00 0.00 S ATOM 0 H CYS A 51 -0.750 -5.105 -2.195 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.699 -3.325 0.186 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.447 -3.035 -2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.603 -2.133 -0.753 1.00 0.00 H new ATOM 764 N LYS A 52 -3.319 -4.974 -0.889 1.00 0.00 N ATOM 765 CA LYS A 52 -4.386 -5.878 -0.497 1.00 0.00 C ATOM 766 C LYS A 52 -3.781 -7.129 0.143 1.00 0.00 C ATOM 767 O LYS A 52 -4.163 -7.513 1.247 1.00 0.00 O ATOM 768 CB LYS A 52 -5.300 -6.177 -1.687 1.00 0.00 C ATOM 769 CG LYS A 52 -6.272 -5.022 -1.937 1.00 0.00 C ATOM 770 CD LYS A 52 -7.670 -5.545 -2.273 1.00 0.00 C ATOM 771 CE LYS A 52 -7.728 -6.070 -3.709 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.178 -7.442 -3.782 1.00 0.00 N ATOM 0 H LYS A 52 -3.444 -4.537 -1.802 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.022 -5.411 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.697 -6.349 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.859 -7.093 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.321 -4.385 -1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.905 -4.404 -2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.941 -6.341 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.401 -4.747 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.759 -6.066 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.163 -5.410 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.611 -7.948 -4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.148 -7.396 -3.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.388 -7.948 -2.898 1.00 0.00 H new ATOM 785 N GLY A 53 -2.846 -7.730 -0.578 1.00 0.00 N ATOM 786 CA GLY A 53 -2.183 -8.929 -0.094 1.00 0.00 C ATOM 787 C GLY A 53 -2.142 -8.954 1.435 1.00 0.00 C ATOM 788 O GLY A 53 -2.750 -9.820 2.062 1.00 0.00 O ATOM 0 H GLY A 53 -2.532 -7.409 -1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.706 -9.812 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.168 -8.972 -0.489 1.00 0.00 H new ATOM 792 N CYS A 54 -1.417 -7.994 1.991 1.00 0.00 N ATOM 793 CA CYS A 54 -1.288 -7.895 3.435 1.00 0.00 C ATOM 794 C CYS A 54 -2.688 -7.735 4.032 1.00 0.00 C ATOM 795 O CYS A 54 -3.059 -8.458 4.956 1.00 0.00 O ATOM 796 CB CYS A 54 -0.359 -6.750 3.842 1.00 0.00 C ATOM 797 SG CYS A 54 -0.104 -6.766 5.655 1.00 0.00 S ATOM 0 H CYS A 54 -0.913 -7.278 1.468 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.829 -8.803 3.826 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.599 -6.848 3.331 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.788 -5.796 3.535 1.00 0.00 H new ATOM 802 N HIS A 55 -3.426 -6.783 3.480 1.00 0.00 N ATOM 803 CA HIS A 55 -4.777 -6.519 3.947 1.00 0.00 C ATOM 804 C HIS A 55 -5.531 -7.840 4.112 1.00 0.00 C ATOM 805 O HIS A 55 -5.800 -8.270 5.232 1.00 0.00 O ATOM 806 CB HIS A 55 -5.492 -5.540 3.014 1.00 0.00 C ATOM 807 CG HIS A 55 -4.950 -4.132 3.069 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.464 -3.100 2.302 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.936 -3.595 3.806 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.781 -1.998 2.573 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.834 -2.307 3.505 1.00 0.00 N ATOM 0 H HIS A 55 -3.115 -6.185 2.714 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.740 -6.038 4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.416 -5.908 1.991 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.552 -5.521 3.268 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.237 -3.176 1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.320 -4.128 4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.945 -1.025 2.133 1.00 0.00 H new ATOM 819 N GLU A 56 -5.851 -8.447 2.978 1.00 0.00 N ATOM 820 CA GLU A 56 -6.568 -9.710 2.982 1.00 0.00 C ATOM 821 C GLU A 56 -5.834 -10.735 3.849 1.00 0.00 C ATOM 822 O GLU A 56 -6.430 -11.712 4.301 1.00 0.00 O ATOM 823 CB GLU A 56 -6.762 -10.235 1.558 1.00 0.00 C ATOM 824 CG GLU A 56 -5.589 -9.835 0.661 1.00 0.00 C ATOM 825 CD GLU A 56 -5.253 -10.949 -0.332 1.00 0.00 C ATOM 826 OE1 GLU A 56 -5.235 -12.130 0.044 1.00 0.00 O ATOM 827 OE2 GLU A 56 -5.007 -10.551 -1.534 1.00 0.00 O ATOM 0 H GLU A 56 -5.627 -8.087 2.050 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.556 -9.543 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.856 -11.321 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.691 -9.842 1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.836 -8.922 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.716 -9.615 1.275 1.00 0.00 H new ATOM 835 N GLU A 57 -4.550 -10.478 4.054 1.00 0.00 N ATOM 836 CA GLU A 57 -3.728 -11.366 4.859 1.00 0.00 C ATOM 837 C GLU A 57 -4.283 -11.459 6.282 1.00 0.00 C ATOM 838 O GLU A 57 -4.510 -12.554 6.793 1.00 0.00 O ATOM 839 CB GLU A 57 -2.270 -10.905 4.868 1.00 0.00 C ATOM 840 CG GLU A 57 -1.317 -12.096 4.746 1.00 0.00 C ATOM 841 CD GLU A 57 -1.633 -12.925 3.500 1.00 0.00 C ATOM 842 OE1 GLU A 57 -2.335 -13.943 3.595 1.00 0.00 O ATOM 843 OE2 GLU A 57 -1.122 -12.479 2.404 1.00 0.00 O ATOM 0 H GLU A 57 -4.059 -9.668 3.677 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.757 -12.360 4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.099 -10.212 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.062 -10.362 5.790 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.288 -11.740 4.699 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.397 -12.723 5.634 1.00 0.00 H new ATOM 851 N MET A 58 -4.486 -10.294 6.881 1.00 0.00 N ATOM 852 CA MET A 58 -5.009 -10.231 8.235 1.00 0.00 C ATOM 853 C MET A 58 -6.502 -9.895 8.230 1.00 0.00 C ATOM 854 O MET A 58 -7.114 -9.754 9.288 1.00 0.00 O ATOM 855 CB MET A 58 -4.249 -9.165 9.027 1.00 0.00 C ATOM 856 CG MET A 58 -2.749 -9.467 9.052 1.00 0.00 C ATOM 857 SD MET A 58 -2.223 -9.806 10.723 1.00 0.00 S ATOM 858 CE MET A 58 -1.781 -8.158 11.250 1.00 0.00 C ATOM 0 H MET A 58 -4.298 -9.387 6.453 1.00 0.00 H new ATOM 0 HA MET A 58 -4.876 -11.207 8.702 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.419 -8.185 8.581 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.632 -9.122 10.047 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.531 -10.323 8.413 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.192 -8.620 8.651 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.428 -8.188 12.281 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.991 -7.770 10.607 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.654 -7.509 11.184 1.00 0.00 H new ATOM 868 N LYS A 59 -7.045 -9.777 7.027 1.00 0.00 N ATOM 869 CA LYS A 59 -8.455 -9.460 6.871 1.00 0.00 C ATOM 870 C LYS A 59 -8.694 -8.004 7.273 1.00 0.00 C ATOM 871 O LYS A 59 -9.836 -7.549 7.320 1.00 0.00 O ATOM 872 CB LYS A 59 -9.318 -10.461 7.642 1.00 0.00 C ATOM 873 CG LYS A 59 -9.921 -11.505 6.700 1.00 0.00 C ATOM 874 CD LYS A 59 -10.957 -10.871 5.770 1.00 0.00 C ATOM 875 CE LYS A 59 -12.282 -11.635 5.823 1.00 0.00 C ATOM 876 NZ LYS A 59 -13.333 -10.806 6.453 1.00 0.00 N ATOM 0 H LYS A 59 -6.535 -9.895 6.152 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.753 -9.555 5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.714 -10.957 8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.116 -9.933 8.164 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.130 -11.966 6.109 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.388 -12.299 7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.120 -9.832 6.056 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.578 -10.864 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.587 -11.916 4.815 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.153 -12.559 6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.225 -11.339 6.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.046 -10.559 7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.467 -9.936 5.900 1.00 0.00 H new ATOM 889 N LYS A 60 -7.599 -7.313 7.554 1.00 0.00 N ATOM 890 CA LYS A 60 -7.675 -5.918 7.951 1.00 0.00 C ATOM 891 C LYS A 60 -7.292 -5.032 6.763 1.00 0.00 C ATOM 892 O LYS A 60 -6.469 -5.420 5.935 1.00 0.00 O ATOM 893 CB LYS A 60 -6.829 -5.670 9.201 1.00 0.00 C ATOM 894 CG LYS A 60 -7.184 -6.663 10.309 1.00 0.00 C ATOM 895 CD LYS A 60 -8.388 -6.176 11.118 1.00 0.00 C ATOM 896 CE LYS A 60 -8.406 -6.809 12.511 1.00 0.00 C ATOM 897 NZ LYS A 60 -9.754 -6.701 13.112 1.00 0.00 N ATOM 0 H LYS A 60 -6.654 -7.694 7.514 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.696 -5.656 8.228 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.772 -5.760 8.952 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.988 -4.652 9.556 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.405 -7.637 9.872 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.328 -6.797 10.970 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.354 -5.090 11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.309 -6.424 10.590 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.114 -7.857 12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.675 -6.315 13.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.749 -7.135 14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.019 -5.699 13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.444 -7.193 12.509 1.00 0.00 H new ATOM 910 N GLY A 61 -7.906 -3.859 6.719 1.00 0.00 N ATOM 911 CA GLY A 61 -7.639 -2.915 5.646 1.00 0.00 C ATOM 912 C GLY A 61 -8.630 -3.100 4.495 1.00 0.00 C ATOM 913 O GLY A 61 -9.305 -4.119 4.372 1.00 0.00 O ATOM 0 H GLY A 61 -8.587 -3.540 7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.706 -1.896 6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.621 -3.053 5.280 1.00 0.00 H new ATOM 917 N PRO A 62 -8.701 -2.075 3.642 1.00 0.00 N ATOM 918 CA PRO A 62 -9.567 -2.036 2.484 1.00 0.00 C ATOM 919 C PRO A 62 -9.133 -3.100 1.486 1.00 0.00 C ATOM 920 O PRO A 62 -7.983 -3.072 1.051 1.00 0.00 O ATOM 921 CB PRO A 62 -9.384 -0.635 1.905 1.00 0.00 C ATOM 922 CG PRO A 62 -8.064 -0.172 2.402 1.00 0.00 C ATOM 923 CD PRO A 62 -7.922 -0.861 3.757 1.00 0.00 C ATOM 0 HA PRO A 62 -10.611 -2.235 2.728 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.409 -0.654 0.815 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.182 0.032 2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.259 -0.455 1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.032 0.913 2.500 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.878 -1.081 3.981 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.294 -0.228 4.563 1.00 0.00 H new ATOM 931 N THR A 63 -10.042 -4.003 1.148 1.00 0.00 N ATOM 932 CA THR A 63 -9.729 -5.063 0.204 1.00 0.00 C ATOM 933 C THR A 63 -10.677 -5.006 -0.995 1.00 0.00 C ATOM 934 O THR A 63 -10.479 -5.713 -1.982 1.00 0.00 O ATOM 935 CB THR A 63 -9.779 -6.395 0.955 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.122 -6.481 1.422 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.940 -6.377 2.235 1.00 0.00 C ATOM 0 H THR A 63 -10.995 -4.023 1.511 1.00 0.00 H new ATOM 0 HA THR A 63 -8.727 -4.943 -0.208 1.00 0.00 H new ATOM 0 HB THR A 63 -9.428 -7.193 0.301 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.243 -7.317 1.919 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.010 -7.346 2.730 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.899 -6.172 1.985 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.313 -5.601 2.903 1.00 0.00 H new ATOM 945 N LYS A 64 -11.688 -4.157 -0.870 1.00 0.00 N ATOM 946 CA LYS A 64 -12.667 -3.999 -1.932 1.00 0.00 C ATOM 947 C LYS A 64 -12.296 -2.784 -2.785 1.00 0.00 C ATOM 948 O LYS A 64 -11.593 -1.888 -2.322 1.00 0.00 O ATOM 949 CB LYS A 64 -14.081 -3.933 -1.351 1.00 0.00 C ATOM 950 CG LYS A 64 -14.326 -5.084 -0.373 1.00 0.00 C ATOM 951 CD LYS A 64 -15.595 -5.856 -0.741 1.00 0.00 C ATOM 952 CE LYS A 64 -15.251 -7.194 -1.398 1.00 0.00 C ATOM 953 NZ LYS A 64 -15.566 -7.158 -2.844 1.00 0.00 N ATOM 0 H LYS A 64 -11.850 -3.572 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.658 -4.867 -2.591 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.224 -2.981 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.812 -3.975 -2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.471 -5.759 -0.379 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.415 -4.692 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.192 -6.029 0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -16.204 -5.259 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.193 -7.414 -1.256 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -15.811 -7.996 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.326 -8.074 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.580 -6.969 -2.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.013 -6.405 -3.301 1.00 0.00 H new ATOM 966 N CYS A 65 -12.785 -2.795 -4.016 1.00 0.00 N ATOM 967 CA CYS A 65 -12.514 -1.705 -4.938 1.00 0.00 C ATOM 968 C CYS A 65 -13.272 -0.467 -4.456 1.00 0.00 C ATOM 969 O CYS A 65 -14.253 -0.582 -3.723 1.00 0.00 O ATOM 970 CB CYS A 65 -12.883 -2.076 -6.376 1.00 0.00 C ATOM 971 SG CYS A 65 -12.816 -3.866 -6.748 1.00 0.00 S ATOM 0 H CYS A 65 -13.367 -3.541 -4.397 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.445 -1.493 -4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.890 -1.714 -6.583 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.210 -1.553 -7.055 1.00 0.00 H new ATOM 976 N GLY A 66 -12.789 0.689 -4.887 1.00 0.00 N ATOM 977 CA GLY A 66 -13.409 1.947 -4.508 1.00 0.00 C ATOM 978 C GLY A 66 -12.827 2.471 -3.193 1.00 0.00 C ATOM 979 O GLY A 66 -12.697 3.680 -3.006 1.00 0.00 O ATOM 0 H GLY A 66 -11.975 0.781 -5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.256 2.684 -5.297 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.485 1.809 -4.404 1.00 0.00 H new ATOM 983 N GLU A 67 -12.493 1.536 -2.316 1.00 0.00 N ATOM 984 CA GLU A 67 -11.928 1.888 -1.025 1.00 0.00 C ATOM 985 C GLU A 67 -10.486 2.371 -1.190 1.00 0.00 C ATOM 986 O GLU A 67 -9.942 3.026 -0.303 1.00 0.00 O ATOM 987 CB GLU A 67 -12.003 0.708 -0.053 1.00 0.00 C ATOM 988 CG GLU A 67 -12.509 1.159 1.319 1.00 0.00 C ATOM 989 CD GLU A 67 -12.523 -0.008 2.308 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.522 -1.176 1.890 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.535 0.332 3.552 1.00 0.00 O ATOM 0 H GLU A 67 -12.603 0.534 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.517 2.702 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.666 -0.058 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.017 0.254 0.050 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.872 1.957 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.513 1.571 1.223 1.00 0.00 H new ATOM 999 N CYS A 68 -9.908 2.028 -2.332 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.540 2.419 -2.625 1.00 0.00 C ATOM 1001 C CYS A 68 -8.562 3.412 -3.789 1.00 0.00 C ATOM 1002 O CYS A 68 -7.942 4.471 -3.717 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.657 1.206 -2.926 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.528 0.889 -1.521 1.00 0.00 S ATOM 0 H CYS A 68 -10.362 1.484 -3.065 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.101 2.897 -1.750 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.279 0.330 -3.108 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.080 1.382 -3.834 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.283 3.033 -4.833 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.395 3.877 -6.011 1.00 0.00 C ATOM 1011 C HIS A 69 -10.553 4.860 -5.830 1.00 0.00 C ATOM 1012 O HIS A 69 -11.717 4.480 -5.940 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.530 3.028 -7.277 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.379 2.078 -7.505 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.121 2.504 -7.895 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.308 0.720 -7.393 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.337 1.442 -8.010 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -7.074 0.338 -7.699 1.00 0.00 N ATOM 0 H HIS A 69 -9.796 2.153 -4.888 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.483 4.462 -6.131 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.455 2.455 -7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.617 3.690 -8.138 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.845 3.471 -8.065 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.118 0.067 -7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.297 1.450 -8.299 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.193 6.105 -5.556 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.187 7.146 -5.359 1.00 0.00 C ATOM 1028 C LYS A 70 -11.122 8.135 -6.524 1.00 0.00 C ATOM 1029 O LYS A 70 -10.111 8.811 -6.714 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.013 7.800 -3.987 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.529 6.885 -2.874 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.756 7.491 -2.190 1.00 0.00 C ATOM 1033 CE LYS A 70 -14.037 6.781 -2.632 1.00 0.00 C ATOM 1034 NZ LYS A 70 -15.074 7.768 -3.008 1.00 0.00 N ATOM 0 H LYS A 70 -9.226 6.416 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.190 6.719 -5.358 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.960 8.025 -3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.550 8.748 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.784 5.910 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.742 6.722 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.648 7.414 -1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.823 8.552 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.824 6.128 -3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.405 6.147 -1.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.937 7.269 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.289 8.374 -2.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.726 8.355 -3.793 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.212 8.189 -7.275 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.292 9.084 -8.416 1.00 0.00 C ATOM 1049 C LYS A 71 -12.310 10.533 -7.923 1.00 0.00 C ATOM 1050 O LYS A 71 -12.402 11.463 -8.722 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.486 8.720 -9.300 1.00 0.00 C ATOM 1052 CG LYS A 71 -13.215 7.437 -10.088 1.00 0.00 C ATOM 1053 CD LYS A 71 -13.645 7.589 -11.549 1.00 0.00 C ATOM 1054 CE LYS A 71 -13.029 6.491 -12.418 1.00 0.00 C ATOM 1055 NZ LYS A 71 -13.629 5.177 -12.095 1.00 0.00 N ATOM 0 H LYS A 71 -13.048 7.627 -7.115 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.411 8.974 -9.049 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.374 8.590 -8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.694 9.538 -9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.153 7.195 -10.041 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.752 6.606 -9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.732 7.546 -11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.340 8.567 -11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.188 6.721 -13.472 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -11.951 6.454 -12.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.200 4.443 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.456 4.953 -11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.654 5.211 -12.270 1.00 0.00 H new TER 1068 LYS A 71 HETATM 1069 CHA HEM A 130 8.421 5.132 0.448 1.00 0.00 C HETATM 1070 CHB HEM A 130 10.883 5.181 4.651 1.00 0.00 C HETATM 1071 CHC HEM A 130 7.919 1.754 6.438 1.00 0.00 C HETATM 1072 CHD HEM A 130 5.778 1.359 2.030 1.00 0.00 C HETATM 1073 C1A HEM A 130 9.339 5.442 1.447 1.00 0.00 C HETATM 1074 C2A HEM A 130 10.376 6.438 1.316 1.00 0.00 C HETATM 1075 C3A HEM A 130 11.060 6.454 2.479 1.00 0.00 C HETATM 1076 C4A HEM A 130 10.454 5.468 3.342 1.00 0.00 C HETATM 1077 CMA HEM A 130 12.233 7.314 2.849 1.00 0.00 C HETATM 1078 CAA HEM A 130 10.612 7.276 0.093 1.00 0.00 C HETATM 1079 CBA HEM A 130 9.753 8.536 0.029 1.00 0.00 C HETATM 1080 CGA HEM A 130 10.587 9.781 0.297 1.00 0.00 C HETATM 1081 O1A HEM A 130 10.624 10.196 1.476 1.00 0.00 O HETATM 1082 O2A HEM A 130 11.171 10.295 -0.682 1.00 0.00 O HETATM 1083 C1B HEM A 130 10.259 4.279 5.506 1.00 0.00 C HETATM 1084 C2B HEM A 130 10.620 4.091 6.891 1.00 0.00 C HETATM 1085 C3B HEM A 130 9.800 3.142 7.389 1.00 0.00 C HETATM 1086 C4B HEM A 130 8.923 2.732 6.317 1.00 0.00 C HETATM 1087 CMB HEM A 130 11.711 4.836 7.603 1.00 0.00 C HETATM 1088 CAB HEM A 130 9.769 2.586 8.784 1.00 0.00 C HETATM 1089 CBB HEM A 130 9.910 3.643 9.876 1.00 0.00 C HETATM 1090 C1C HEM A 130 7.167 1.219 5.311 1.00 0.00 C HETATM 1091 C2C HEM A 130 6.380 0.008 5.311 1.00 0.00 C HETATM 1092 C3C HEM A 130 5.781 -0.076 4.105 1.00 0.00 C HETATM 1093 C4C HEM A 130 6.191 1.081 3.345 1.00 0.00 C HETATM 1094 CMC HEM A 130 6.278 -0.949 6.463 1.00 0.00 C HETATM 1095 CAC HEM A 130 4.858 -1.149 3.604 1.00 0.00 C HETATM 1096 CBC HEM A 130 3.568 -1.283 4.408 1.00 0.00 C HETATM 1097 C1D HEM A 130 6.304 2.372 1.235 1.00 0.00 C HETATM 1098 C2D HEM A 130 5.882 2.645 -0.119 1.00 0.00 C HETATM 1099 C3D HEM A 130 6.613 3.690 -0.560 1.00 0.00 C HETATM 1100 C4D HEM A 130 7.495 4.075 0.516 1.00 0.00 C HETATM 1101 CMD HEM A 130 4.822 1.880 -0.858 1.00 0.00 C HETATM 1102 CAD HEM A 130 6.554 4.357 -1.903 1.00 0.00 C HETATM 1103 CBD HEM A 130 7.115 3.511 -3.042 1.00 0.00 C HETATM 1104 CGD HEM A 130 6.019 2.692 -3.709 1.00 0.00 C HETATM 1105 O1D HEM A 130 6.321 1.539 -4.084 1.00 0.00 O HETATM 1106 O2D HEM A 130 4.900 3.235 -3.830 1.00 0.00 O HETATM 1107 NA HEM A 130 9.396 4.851 2.697 1.00 0.00 N HETATM 1108 NB HEM A 130 9.214 3.438 5.163 1.00 0.00 N HETATM 1109 NC HEM A 130 7.043 1.872 4.097 1.00 0.00 N HETATM 1110 ND HEM A 130 7.297 3.258 1.615 1.00 0.00 N HETATM 1111 FE HEM A 130 8.194 3.326 3.518 1.00 0.00 FE HETATM 0 HMA1 HEM A 130 12.227 7.495 3.924 1.00 0.00 H new HETATM 0 HMA2 HEM A 130 12.168 8.265 2.321 1.00 0.00 H new HETATM 0 HMA3 HEM A 130 13.157 6.808 2.571 1.00 0.00 H new HETATM 0 HMB1 HEM A 130 12.493 5.104 6.892 1.00 0.00 H new HETATM 0 HMB2 HEM A 130 12.133 4.204 8.385 1.00 0.00 H new HETATM 0 HMB3 HEM A 130 11.301 5.742 8.050 1.00 0.00 H new HETATM 0 HMC1 HEM A 130 5.302 -1.433 6.448 1.00 0.00 H new HETATM 0 HMC2 HEM A 130 6.399 -0.405 7.400 1.00 0.00 H new HETATM 0 HMC3 HEM A 130 7.059 -1.705 6.379 1.00 0.00 H new HETATM 0 HMD1 HEM A 130 4.328 2.539 -1.572 1.00 0.00 H new HETATM 0 HMD2 HEM A 130 4.087 1.498 -0.149 1.00 0.00 H new HETATM 0 HMD3 HEM A 130 5.280 1.046 -1.390 1.00 0.00 H new HETATM 0 HBB1 HEM A 130 9.900 3.347 10.925 1.00 0.00 H new HETATM 0 HBB2 HEM A 130 10.020 4.693 9.607 1.00 0.00 H new HETATM 0 HBC1 HEM A 130 2.827 -2.032 4.129 1.00 0.00 H new HETATM 0 HBC2 HEM A 130 3.387 -0.629 5.261 1.00 0.00 H new HETATM 0 HBA1 HEM A 130 8.948 8.469 0.761 1.00 0.00 H new HETATM 0 HBA2 HEM A 130 9.286 8.612 -0.953 1.00 0.00 H new HETATM 0 HAA1 HEM A 130 10.418 6.671 -0.793 1.00 0.00 H new HETATM 0 HAA2 HEM A 130 11.663 7.563 0.059 1.00 0.00 H new HETATM 0 HBD1 HEM A 130 7.888 2.845 -2.658 1.00 0.00 H new HETATM 0 HBD2 HEM A 130 7.590 4.158 -3.780 1.00 0.00 H new HETATM 0 HAD1 HEM A 130 7.106 5.296 -1.855 1.00 0.00 H new HETATM 0 HAD2 HEM A 130 5.517 4.608 -2.127 1.00 0.00 H new HETATM 0 HHA HEM A 130 8.419 5.745 -0.441 1.00 0.00 H new HETATM 0 HHB HEM A 130 11.758 5.697 5.017 1.00 0.00 H new HETATM 0 HHC HEM A 130 7.692 1.378 7.425 1.00 0.00 H new HETATM 0 HHD HEM A 130 4.998 0.743 1.608 1.00 0.00 H new HETATM 0 HAB HEM A 130 9.656 1.523 8.997 1.00 0.00 H new HETATM 0 HAC HEM A 130 5.089 -1.776 2.743 1.00 0.00 H new HETATM 1112 CHA HEM A 154 -5.138 0.045 6.465 1.00 0.00 C HETATM 1113 CHB HEM A 154 -3.774 1.334 1.970 1.00 0.00 C HETATM 1114 CHC HEM A 154 -0.137 -1.901 2.145 1.00 0.00 C HETATM 1115 CHD HEM A 154 -1.612 -3.314 6.573 1.00 0.00 C HETATM 1116 C1A HEM A 154 -5.072 0.672 5.225 1.00 0.00 C HETATM 1117 C2A HEM A 154 -5.980 1.708 4.791 1.00 0.00 C HETATM 1118 C3A HEM A 154 -5.604 2.068 3.545 1.00 0.00 C HETATM 1119 C4A HEM A 154 -4.461 1.258 3.196 1.00 0.00 C HETATM 1120 CMA HEM A 154 -6.227 3.105 2.656 1.00 0.00 C HETATM 1121 CAA HEM A 154 -7.116 2.252 5.607 1.00 0.00 C HETATM 1122 CBA HEM A 154 -6.731 2.626 7.035 1.00 0.00 C HETATM 1123 CGA HEM A 154 -7.217 4.025 7.386 1.00 0.00 C HETATM 1124 O1A HEM A 154 -6.782 4.968 6.690 1.00 0.00 O HETATM 1125 O2A HEM A 154 -8.016 4.125 8.342 1.00 0.00 O HETATM 1126 C1B HEM A 154 -2.664 0.564 1.639 1.00 0.00 C HETATM 1127 C2B HEM A 154 -1.953 0.662 0.386 1.00 0.00 C HETATM 1128 C3B HEM A 154 -0.944 -0.234 0.432 1.00 0.00 C HETATM 1129 C4B HEM A 154 -1.020 -0.895 1.713 1.00 0.00 C HETATM 1130 CMB HEM A 154 -2.307 1.600 -0.731 1.00 0.00 C HETATM 1131 CAB HEM A 154 0.083 -0.522 -0.624 1.00 0.00 C HETATM 1132 CBB HEM A 154 0.850 0.710 -1.097 1.00 0.00 C HETATM 1133 C1C HEM A 154 -0.238 -2.573 3.366 1.00 0.00 C HETATM 1134 C2C HEM A 154 0.607 -3.675 3.761 1.00 0.00 C HETATM 1135 C3C HEM A 154 0.197 -4.071 4.985 1.00 0.00 C HETATM 1136 C4C HEM A 154 -0.906 -3.218 5.359 1.00 0.00 C HETATM 1137 CMC HEM A 154 1.723 -4.241 2.932 1.00 0.00 C HETATM 1138 CAC HEM A 154 0.751 -5.180 5.831 1.00 0.00 C HETATM 1139 CBC HEM A 154 2.213 -5.510 5.543 1.00 0.00 C HETATM 1140 C1D HEM A 154 -2.695 -2.513 6.920 1.00 0.00 C HETATM 1141 C2D HEM A 154 -3.404 -2.606 8.175 1.00 0.00 C HETATM 1142 C3D HEM A 154 -4.382 -1.677 8.148 1.00 0.00 C HETATM 1143 C4D HEM A 154 -4.288 -0.998 6.877 1.00 0.00 C HETATM 1144 CMD HEM A 154 -3.079 -3.574 9.275 1.00 0.00 C HETATM 1145 CAD HEM A 154 -5.396 -1.371 9.212 1.00 0.00 C HETATM 1146 CBD HEM A 154 -4.983 -0.248 10.159 1.00 0.00 C HETATM 1147 CGD HEM A 154 -3.950 -0.733 11.166 1.00 0.00 C HETATM 1148 O1D HEM A 154 -4.323 -0.840 12.354 1.00 0.00 O HETATM 1149 O2D HEM A 154 -2.807 -0.987 10.729 1.00 0.00 O HETATM 1150 NA HEM A 154 -4.142 0.403 4.236 1.00 0.00 N HETATM 1151 NB HEM A 154 -2.082 -0.396 2.448 1.00 0.00 N HETATM 1152 NC HEM A 154 -1.166 -2.300 4.357 1.00 0.00 N HETATM 1153 ND HEM A 154 -3.247 -1.520 6.130 1.00 0.00 N HETATM 1154 FE HEM A 154 -2.596 -1.014 4.366 1.00 0.00 FE HETATM 0 HMA1 HEM A 154 -7.292 3.179 2.874 1.00 0.00 H new HETATM 0 HMA2 HEM A 154 -6.090 2.820 1.613 1.00 0.00 H new HETATM 0 HMA3 HEM A 154 -5.752 4.070 2.834 1.00 0.00 H new HETATM 0 HMB1 HEM A 154 -1.404 1.871 -1.279 1.00 0.00 H new HETATM 0 HMB2 HEM A 154 -2.765 2.499 -0.319 1.00 0.00 H new HETATM 0 HMB3 HEM A 154 -3.009 1.112 -1.407 1.00 0.00 H new HETATM 0 HMC1 HEM A 154 1.491 -4.114 1.875 1.00 0.00 H new HETATM 0 HMC2 HEM A 154 1.839 -5.302 3.153 1.00 0.00 H new HETATM 0 HMC3 HEM A 154 2.651 -3.719 3.166 1.00 0.00 H new HETATM 0 HMD1 HEM A 154 -2.655 -4.482 8.847 1.00 0.00 H new HETATM 0 HMD2 HEM A 154 -3.989 -3.822 9.822 1.00 0.00 H new HETATM 0 HMD3 HEM A 154 -2.357 -3.122 9.956 1.00 0.00 H new HETATM 0 HBB1 HEM A 154 1.620 0.612 -1.863 1.00 0.00 H new HETATM 0 HBB2 HEM A 154 0.628 1.688 -0.669 1.00 0.00 H new HETATM 0 HBC1 HEM A 154 2.714 -6.301 6.102 1.00 0.00 H new HETATM 0 HBC2 HEM A 154 2.757 -4.955 4.778 1.00 0.00 H new HETATM 0 HBA1 HEM A 154 -5.648 2.575 7.148 1.00 0.00 H new HETATM 0 HBA2 HEM A 154 -7.158 1.904 7.731 1.00 0.00 H new HETATM 0 HAA1 HEM A 154 -7.914 1.511 5.639 1.00 0.00 H new HETATM 0 HAA2 HEM A 154 -7.519 3.133 5.108 1.00 0.00 H new HETATM 0 HBD1 HEM A 154 -5.860 0.129 10.686 1.00 0.00 H new HETATM 0 HBD2 HEM A 154 -4.574 0.584 9.585 1.00 0.00 H new HETATM 0 HAD1 HEM A 154 -5.580 -2.274 9.794 1.00 0.00 H new HETATM 0 HAD2 HEM A 154 -6.338 -1.102 8.735 1.00 0.00 H new HETATM 0 HHA HEM A 154 -5.894 0.382 7.159 1.00 0.00 H new HETATM 0 HHB HEM A 154 -4.134 2.039 1.235 1.00 0.00 H new HETATM 0 HHC HEM A 154 0.675 -2.173 1.487 1.00 0.00 H new HETATM 0 HHD HEM A 154 -1.291 -4.061 7.284 1.00 0.00 H new HETATM 0 HAB HEM A 154 0.265 -1.522 -1.018 1.00 0.00 H new HETATM 0 HAC HEM A 154 0.162 -5.703 6.584 1.00 0.00 H new HETATM 1155 CHA HEM A 168 -3.889 -0.309 -9.856 1.00 0.00 C HETATM 1156 CHB HEM A 168 -8.296 -2.307 -10.412 1.00 0.00 C HETATM 1157 CHC HEM A 168 -8.782 -2.697 -5.582 1.00 0.00 C HETATM 1158 CHD HEM A 168 -4.466 -0.338 -5.020 1.00 0.00 C HETATM 1159 C1A HEM A 168 -5.049 -0.831 -10.417 1.00 0.00 C HETATM 1160 C2A HEM A 168 -5.292 -0.927 -11.837 1.00 0.00 C HETATM 1161 C3A HEM A 168 -6.513 -1.481 -11.995 1.00 0.00 C HETATM 1162 C4A HEM A 168 -7.038 -1.733 -10.674 1.00 0.00 C HETATM 1163 CMA HEM A 168 -7.227 -1.793 -13.278 1.00 0.00 C HETATM 1164 CAA HEM A 168 -4.335 -0.481 -12.904 1.00 0.00 C HETATM 1165 CBA HEM A 168 -4.160 1.032 -12.988 1.00 0.00 C HETATM 1166 CGA HEM A 168 -3.004 1.400 -13.907 1.00 0.00 C HETATM 1167 O1A HEM A 168 -2.781 0.637 -14.872 1.00 0.00 O HETATM 1168 O2A HEM A 168 -2.364 2.437 -13.628 1.00 0.00 O HETATM 1169 C1B HEM A 168 -8.752 -2.664 -9.147 1.00 0.00 C HETATM 1170 C2B HEM A 168 -9.877 -3.537 -8.906 1.00 0.00 C HETATM 1171 C3B HEM A 168 -10.014 -3.647 -7.568 1.00 0.00 C HETATM 1172 C4B HEM A 168 -8.976 -2.844 -6.967 1.00 0.00 C HETATM 1173 CMB HEM A 168 -10.709 -4.180 -9.977 1.00 0.00 C HETATM 1174 CAB HEM A 168 -11.035 -4.441 -6.806 1.00 0.00 C HETATM 1175 CBB HEM A 168 -11.081 -5.919 -7.185 1.00 0.00 C HETATM 1176 C1C HEM A 168 -7.540 -2.145 -4.979 1.00 0.00 C HETATM 1177 C2C HEM A 168 -7.407 -1.829 -3.576 1.00 0.00 C HETATM 1178 C3C HEM A 168 -6.262 -1.129 -3.433 1.00 0.00 C HETATM 1179 C4C HEM A 168 -5.674 -1.005 -4.747 1.00 0.00 C HETATM 1180 CMC HEM A 168 -8.386 -2.226 -2.510 1.00 0.00 C HETATM 1181 CAC HEM A 168 -5.673 -0.568 -2.172 1.00 0.00 C HETATM 1182 CBC HEM A 168 -5.661 -1.548 -1.003 1.00 0.00 C HETATM 1183 C1D HEM A 168 -3.958 -0.116 -6.296 1.00 0.00 C HETATM 1184 C2D HEM A 168 -2.736 0.602 -6.569 1.00 0.00 C HETATM 1185 C3D HEM A 168 -2.573 0.612 -7.909 1.00 0.00 C HETATM 1186 C4D HEM A 168 -3.693 -0.100 -8.478 1.00 0.00 C HETATM 1187 CMD HEM A 168 -1.844 1.209 -5.526 1.00 0.00 C HETATM 1188 CAD HEM A 168 -1.458 1.232 -8.700 1.00 0.00 C HETATM 1189 CBD HEM A 168 -1.272 2.725 -8.446 1.00 0.00 C HETATM 1190 CGD HEM A 168 0.204 3.091 -8.389 1.00 0.00 C HETATM 1191 O1D HEM A 168 0.654 3.785 -9.326 1.00 0.00 O HETATM 1192 O2D HEM A 168 0.856 2.670 -7.408 1.00 0.00 O HETATM 1193 NA HEM A 168 -6.130 -1.330 -9.711 1.00 0.00 N HETATM 1194 NB HEM A 168 -8.205 -2.243 -7.948 1.00 0.00 N HETATM 1195 NC HEM A 168 -6.469 -1.633 -5.690 1.00 0.00 N HETATM 1196 ND HEM A 168 -4.539 -0.544 -7.477 1.00 0.00 N HETATM 1197 FE HEM A 168 -6.382 -1.521 -7.594 1.00 0.00 FE HETATM 0 HMA1 HEM A 168 -7.878 -2.655 -13.132 1.00 0.00 H new HETATM 0 HMA2 HEM A 168 -6.497 -2.018 -14.055 1.00 0.00 H new HETATM 0 HMA3 HEM A 168 -7.825 -0.933 -13.580 1.00 0.00 H new HETATM 0 HMB1 HEM A 168 -10.724 -3.540 -10.859 1.00 0.00 H new HETATM 0 HMB2 HEM A 168 -11.727 -4.320 -9.612 1.00 0.00 H new HETATM 0 HMB3 HEM A 168 -10.281 -5.148 -10.238 1.00 0.00 H new HETATM 0 HMC1 HEM A 168 -7.860 -2.359 -1.564 1.00 0.00 H new HETATM 0 HMC2 HEM A 168 -8.870 -3.162 -2.790 1.00 0.00 H new HETATM 0 HMC3 HEM A 168 -9.140 -1.447 -2.400 1.00 0.00 H new HETATM 0 HMD1 HEM A 168 -0.814 1.205 -5.882 1.00 0.00 H new HETATM 0 HMD2 HEM A 168 -1.912 0.628 -4.606 1.00 0.00 H new HETATM 0 HMD3 HEM A 168 -2.157 2.235 -5.332 1.00 0.00 H new HETATM 0 HBB1 HEM A 168 -11.787 -6.586 -6.692 1.00 0.00 H new HETATM 0 HBB2 HEM A 168 -10.407 -6.307 -7.949 1.00 0.00 H new HETATM 0 HBC1 HEM A 168 -5.254 -1.242 -0.039 1.00 0.00 H new HETATM 0 HBC2 HEM A 168 -6.059 -2.555 -1.132 1.00 0.00 H new HETATM 0 HBA1 HEM A 168 -3.980 1.436 -11.992 1.00 0.00 H new HETATM 0 HBA2 HEM A 168 -5.080 1.488 -13.355 1.00 0.00 H new HETATM 0 HAA1 HEM A 168 -4.684 -0.850 -13.868 1.00 0.00 H new HETATM 0 HAA2 HEM A 168 -3.363 -0.939 -12.720 1.00 0.00 H new HETATM 0 HBD1 HEM A 168 -1.755 3.001 -7.508 1.00 0.00 H new HETATM 0 HBD2 HEM A 168 -1.761 3.295 -9.236 1.00 0.00 H new HETATM 0 HAD1 HEM A 168 -1.649 1.076 -9.762 1.00 0.00 H new HETATM 0 HAD2 HEM A 168 -0.528 0.715 -8.464 1.00 0.00 H new HETATM 0 HHA HEM A 168 -3.082 -0.046 -10.524 1.00 0.00 H new HETATM 0 HHB HEM A 168 -8.953 -2.483 -11.251 1.00 0.00 H new HETATM 0 HHC HEM A 168 -9.579 -3.002 -4.920 1.00 0.00 H new HETATM 0 HHD HEM A 168 -3.893 0.027 -4.181 1.00 0.00 H new HETATM 0 HAB HEM A 168 -11.685 -4.001 -6.050 1.00 0.00 H new HETATM 0 HAC HEM A 168 -5.288 0.449 -2.098 1.00 0.00 H new