USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 17 HIS HE2 : A 17 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 HEMFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 HEMFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 103 HEMFE :(H bumps) USER MOD Set 1.1: A 10 ASN : amide:sc= -1.34 K(o=-1.7,f=-3.6) USER MOD Set 1.2: A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 103 HEM CMA :methyl 150:sc= -0.397 (180deg=-0.0574) USER MOD Single : A 1 ALA N :NH3+ -129:sc= 0.162 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 159:sc= -0.0422 (180deg=-0.338) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -10.1! C(o=-14!,f=-10!) 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+ 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 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= -0.0687 (180deg=-0.408) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl 150:sc= -0.193 (180deg=-0.193) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -2.06 (180deg=-5.16!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -7.45! (180deg=-8.85!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -1.36 (180deg=-1.36) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.111 (180deg=-0.111) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.41! (180deg=-6.41!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -13! (180deg=-13!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -1.14 (180deg=-2.61) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.277 (180deg=-1.79) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.75! (180deg=-6.25!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -2.58 (180deg=-2.58) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.733 10.758 -1.784 1.00 1.00 N ATOM 2 CA ALA A 1 -11.087 10.654 -3.082 1.00 1.00 C ATOM 3 C ALA A 1 -10.286 9.352 -3.145 1.00 1.00 C ATOM 4 O ALA A 1 -10.359 8.529 -2.234 1.00 1.00 O ATOM 5 CB ALA A 1 -10.215 11.888 -3.318 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.745 10.961 -1.915 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.624 9.861 -1.269 1.00 1.00 H new ATOM 0 H3 ALA A 1 -11.294 11.526 -1.238 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.829 10.623 -3.879 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.730 11.810 -4.291 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -10.837 12.783 -3.293 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -9.456 11.951 -2.539 1.00 1.00 H new ATOM 11 N ASP A 2 -9.539 9.207 -4.230 1.00 1.00 N ATOM 12 CA ASP A 2 -8.725 8.019 -4.424 1.00 1.00 C ATOM 13 C ASP A 2 -8.089 7.619 -3.091 1.00 1.00 C ATOM 14 O ASP A 2 -8.024 6.435 -2.761 1.00 1.00 O ATOM 15 CB ASP A 2 -7.599 8.281 -5.425 1.00 1.00 C ATOM 16 CG ASP A 2 -7.635 7.409 -6.682 1.00 1.00 C ATOM 17 OD1 ASP A 2 -7.661 7.919 -7.812 1.00 1.00 O ATOM 18 OD2 ASP A 2 -7.636 6.138 -6.464 1.00 1.00 O ATOM 0 H ASP A 2 -9.480 9.892 -4.983 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.369 7.227 -4.805 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.637 9.328 -5.726 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.644 8.129 -4.923 1.00 1.00 H new ATOM 24 N ASP A 3 -7.637 8.627 -2.361 1.00 1.00 N ATOM 25 CA ASP A 3 -7.009 8.395 -1.071 1.00 1.00 C ATOM 26 C ASP A 3 -7.760 7.285 -0.335 1.00 1.00 C ATOM 27 O ASP A 3 -8.966 7.387 -0.115 1.00 1.00 O ATOM 28 CB ASP A 3 -7.054 9.653 -0.202 1.00 1.00 C ATOM 29 CG ASP A 3 -6.510 9.479 1.217 1.00 1.00 C ATOM 30 OD1 ASP A 3 -6.044 8.393 1.593 1.00 1.00 O ATOM 31 OD2 ASP A 3 -6.580 10.530 1.961 1.00 1.00 O ATOM 0 H ASP A 3 -7.693 9.607 -2.638 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.970 8.116 -1.248 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.486 10.440 -0.699 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -8.087 9.996 -0.139 1.00 1.00 H new ATOM 37 N ILE A 4 -7.017 6.248 0.024 1.00 1.00 N ATOM 38 CA ILE A 4 -7.598 5.120 0.731 1.00 1.00 C ATOM 39 C ILE A 4 -6.919 4.973 2.095 1.00 1.00 C ATOM 40 O ILE A 4 -5.910 4.281 2.218 1.00 1.00 O ATOM 41 CB ILE A 4 -7.529 3.856 -0.129 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.738 3.761 -1.062 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.378 2.608 0.742 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.710 2.460 -1.865 1.00 1.00 C ATOM 0 H ILE A 4 -6.017 6.166 -0.162 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.658 5.293 0.919 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.641 3.919 -0.758 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.657 3.812 -0.478 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.744 4.612 -1.743 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.331 1.724 0.106 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.462 2.682 1.328 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.233 2.527 1.413 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.580 2.418 -2.520 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.801 2.423 -2.466 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.728 1.611 -1.182 1.00 1.00 H new ATOM 56 N VAL A 5 -7.500 5.636 3.083 1.00 1.00 N ATOM 57 CA VAL A 5 -6.964 5.588 4.433 1.00 1.00 C ATOM 58 C VAL A 5 -7.265 4.220 5.048 1.00 1.00 C ATOM 59 O VAL A 5 -8.416 3.787 5.076 1.00 1.00 O ATOM 60 CB VAL A 5 -7.521 6.750 5.259 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.775 6.885 6.588 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.471 8.058 4.467 1.00 1.00 C ATOM 0 H VAL A 5 -8.337 6.210 2.976 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.881 5.707 4.418 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.566 6.533 5.482 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.190 7.718 7.155 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.884 5.965 7.162 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.718 7.069 6.395 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.872 8.868 5.076 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.438 8.282 4.200 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.067 7.957 3.560 1.00 1.00 H new ATOM 72 N LEU A 6 -6.209 3.577 5.526 1.00 1.00 N ATOM 73 CA LEU A 6 -6.345 2.266 6.139 1.00 1.00 C ATOM 74 C LEU A 6 -6.468 2.428 7.656 1.00 1.00 C ATOM 75 O LEU A 6 -6.102 3.466 8.205 1.00 1.00 O ATOM 76 CB LEU A 6 -5.197 1.352 5.709 1.00 1.00 C ATOM 77 CG LEU A 6 -5.151 0.986 4.224 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.762 0.484 3.826 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.247 -0.023 3.874 1.00 1.00 C ATOM 0 H LEU A 6 -5.256 3.939 5.501 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.256 1.777 5.795 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.256 1.835 5.973 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.256 0.431 6.288 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.346 1.888 3.644 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.757 0.231 2.766 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -3.025 1.264 4.016 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.513 -0.401 4.412 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.192 -0.266 2.813 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.108 -0.930 4.462 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.223 0.408 4.098 1.00 1.00 H new ATOM 91 N LYS A 7 -6.984 1.385 8.290 1.00 1.00 N ATOM 92 CA LYS A 7 -7.160 1.398 9.732 1.00 1.00 C ATOM 93 C LYS A 7 -5.862 0.946 10.403 1.00 1.00 C ATOM 94 O LYS A 7 -5.352 -0.135 10.112 1.00 1.00 O ATOM 95 CB LYS A 7 -8.381 0.567 10.131 1.00 1.00 C ATOM 96 CG LYS A 7 -9.609 0.970 9.312 1.00 1.00 C ATOM 97 CD LYS A 7 -10.829 1.166 10.214 1.00 1.00 C ATOM 98 CE LYS A 7 -11.590 2.439 9.838 1.00 1.00 C ATOM 99 NZ LYS A 7 -12.832 2.104 9.106 1.00 1.00 N ATOM 0 H LYS A 7 -7.286 0.525 7.831 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.365 2.410 10.082 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.170 -0.492 9.980 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.587 0.703 11.193 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.402 1.892 8.769 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.822 0.203 8.568 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.491 0.304 10.129 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.511 1.222 11.255 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -11.833 3.004 10.738 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.959 3.078 9.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -13.336 2.979 8.859 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.594 1.584 8.237 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -13.440 1.512 9.707 1.00 1.00 H new ATOM 112 N ALA A 8 -5.364 1.795 11.290 1.00 1.00 N ATOM 113 CA ALA A 8 -4.135 1.496 12.006 1.00 1.00 C ATOM 114 C ALA A 8 -3.990 2.458 13.186 1.00 1.00 C ATOM 115 O ALA A 8 -3.695 3.637 12.998 1.00 1.00 O ATOM 116 CB ALA A 8 -2.951 1.574 11.041 1.00 1.00 C ATOM 0 H ALA A 8 -5.790 2.691 11.529 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.162 0.483 12.408 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.029 1.350 11.577 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.088 0.850 10.237 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.891 2.577 10.619 1.00 1.00 H new ATOM 122 N LYS A 9 -4.205 1.919 14.378 1.00 1.00 N ATOM 123 CA LYS A 9 -4.102 2.715 15.589 1.00 1.00 C ATOM 124 C LYS A 9 -2.641 3.110 15.811 1.00 1.00 C ATOM 125 O LYS A 9 -2.342 3.943 16.666 1.00 1.00 O ATOM 126 CB LYS A 9 -4.726 1.973 16.772 1.00 1.00 C ATOM 127 CG LYS A 9 -3.850 0.795 17.204 1.00 1.00 C ATOM 128 CD LYS A 9 -3.938 0.571 18.715 1.00 1.00 C ATOM 129 CE LYS A 9 -2.741 -0.236 19.221 1.00 1.00 C ATOM 130 NZ LYS A 9 -1.507 0.580 19.171 1.00 1.00 N ATOM 0 H LYS A 9 -4.450 0.941 14.530 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.670 3.640 15.488 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.857 2.660 17.608 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.717 1.612 16.498 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -4.164 -0.108 16.680 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -2.815 0.984 16.921 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -3.975 1.533 19.227 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -4.863 0.046 18.955 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -2.924 -0.567 20.243 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -2.616 -1.132 18.613 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -0.800 0.181 19.821 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -1.128 0.577 18.203 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -1.725 1.557 19.454 1.00 1.00 H new ATOM 143 N ASN A 10 -1.768 2.493 15.028 1.00 1.00 N ATOM 144 CA ASN A 10 -0.345 2.770 15.129 1.00 1.00 C ATOM 145 C ASN A 10 0.017 3.910 14.175 1.00 1.00 C ATOM 146 O ASN A 10 1.186 4.269 14.048 1.00 1.00 O ATOM 147 CB ASN A 10 0.483 1.544 14.737 1.00 1.00 C ATOM 148 CG ASN A 10 0.187 0.363 15.664 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.890 -0.209 15.658 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.201 0.033 16.459 1.00 1.00 N ATOM 0 H ASN A 10 -2.019 1.802 14.321 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.126 3.038 16.162 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.262 1.266 13.706 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.544 1.788 14.781 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.103 -0.742 17.115 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.076 0.555 16.412 1.00 1.00 H new ATOM 157 N GLY A 11 -1.008 4.447 13.530 1.00 1.00 N ATOM 158 CA GLY A 11 -0.812 5.539 12.592 1.00 1.00 C ATOM 159 C GLY A 11 -1.340 5.171 11.204 1.00 1.00 C ATOM 160 O GLY A 11 -0.768 4.322 10.523 1.00 1.00 O ATOM 0 H GLY A 11 -1.977 4.146 13.638 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.323 6.431 12.955 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.248 5.783 12.529 1.00 1.00 H new ATOM 164 N ASP A 12 -2.427 5.829 10.826 1.00 1.00 N ATOM 165 CA ASP A 12 -3.039 5.582 9.532 1.00 1.00 C ATOM 166 C ASP A 12 -1.954 5.575 8.452 1.00 1.00 C ATOM 167 O ASP A 12 -0.871 6.123 8.652 1.00 1.00 O ATOM 168 CB ASP A 12 -4.048 6.677 9.181 1.00 1.00 C ATOM 169 CG ASP A 12 -5.511 6.318 9.447 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.830 5.185 9.837 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.353 7.272 9.236 1.00 1.00 O ATOM 0 H ASP A 12 -2.899 6.533 11.394 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.552 4.621 9.580 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.801 7.574 9.749 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.937 6.928 8.126 1.00 1.00 H new ATOM 177 N VAL A 13 -2.283 4.949 7.332 1.00 1.00 N ATOM 178 CA VAL A 13 -1.351 4.863 6.221 1.00 1.00 C ATOM 179 C VAL A 13 -2.018 5.411 4.958 1.00 1.00 C ATOM 180 O VAL A 13 -2.566 4.650 4.161 1.00 1.00 O ATOM 181 CB VAL A 13 -0.859 3.424 6.061 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.290 3.346 5.053 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.445 2.832 7.410 1.00 1.00 C ATOM 0 H VAL A 13 -3.183 4.496 7.170 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.469 5.474 6.414 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.686 2.829 5.674 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.621 2.312 4.958 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.051 3.708 4.083 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.120 3.962 5.399 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.099 1.808 7.267 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.359 3.430 7.838 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.300 2.835 8.087 1.00 1.00 H new ATOM 193 N LYS A 14 -1.950 6.726 4.814 1.00 1.00 N ATOM 194 CA LYS A 14 -2.540 7.385 3.661 1.00 1.00 C ATOM 195 C LYS A 14 -1.867 6.873 2.386 1.00 1.00 C ATOM 196 O LYS A 14 -0.731 7.239 2.090 1.00 1.00 O ATOM 197 CB LYS A 14 -2.478 8.905 3.822 1.00 1.00 C ATOM 198 CG LYS A 14 -2.802 9.609 2.503 1.00 1.00 C ATOM 199 CD LYS A 14 -1.793 10.723 2.214 1.00 1.00 C ATOM 200 CE LYS A 14 -2.505 12.038 1.891 1.00 1.00 C ATOM 201 NZ LYS A 14 -2.834 12.768 3.135 1.00 1.00 N ATOM 0 H LYS A 14 -1.495 7.354 5.477 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.599 7.139 3.583 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.183 9.222 4.590 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.484 9.198 4.161 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.793 8.885 1.688 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.808 10.027 2.547 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -1.141 10.861 3.077 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.157 10.434 1.377 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -1.870 12.656 1.257 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -3.417 11.836 1.329 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -3.317 13.658 2.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -3.458 12.183 3.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -1.959 12.977 3.657 1.00 1.00 H new ATOM 214 N LEU A 15 -2.596 6.033 1.666 1.00 1.00 N ATOM 215 CA LEU A 15 -2.083 5.467 0.430 1.00 1.00 C ATOM 216 C LEU A 15 -2.673 6.230 -0.759 1.00 1.00 C ATOM 217 O LEU A 15 -3.882 6.264 -0.978 1.00 1.00 O ATOM 218 CB LEU A 15 -2.342 3.960 0.382 1.00 1.00 C ATOM 219 CG LEU A 15 -2.338 3.322 -1.008 1.00 1.00 C ATOM 220 CD1 LEU A 15 -0.975 2.704 -1.324 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.475 2.307 -1.149 1.00 1.00 C ATOM 0 H LEU A 15 -3.538 5.731 1.915 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.000 5.583 0.379 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.587 3.462 0.990 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.308 3.763 0.848 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.514 4.106 -1.744 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.000 2.257 -2.318 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.208 3.478 -1.293 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.744 1.935 -0.586 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.449 1.868 -2.146 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.355 1.521 -0.404 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.431 2.808 -0.998 1.00 1.00 H new ATOM 233 N PRO A 16 -1.778 6.850 -1.531 1.00 1.00 N ATOM 234 CA PRO A 16 -2.112 7.626 -2.706 1.00 1.00 C ATOM 235 C PRO A 16 -2.505 6.691 -3.841 1.00 1.00 C ATOM 236 O PRO A 16 -1.788 6.635 -4.839 1.00 1.00 O ATOM 237 CB PRO A 16 -0.836 8.393 -3.045 1.00 1.00 C ATOM 238 CG PRO A 16 0.257 7.480 -2.545 1.00 1.00 C ATOM 239 CD PRO A 16 -0.349 6.831 -1.303 1.00 1.00 C ATOM 0 HA PRO A 16 -2.953 8.300 -2.544 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.749 8.577 -4.116 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.807 9.364 -2.551 1.00 1.00 H new ATOM 0 HG2 PRO A 16 0.529 6.735 -3.293 1.00 1.00 H new ATOM 0 HG3 PRO A 16 1.163 8.036 -2.304 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.016 5.812 -1.172 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.086 7.383 -0.401 1.00 1.00 H new ATOM 247 N HIS A 17 -3.614 5.985 -3.672 1.00 1.00 N ATOM 248 CA HIS A 17 -4.076 5.062 -4.695 1.00 1.00 C ATOM 249 C HIS A 17 -3.849 5.673 -6.079 1.00 1.00 C ATOM 250 O HIS A 17 -3.176 5.079 -6.921 1.00 1.00 O ATOM 251 CB HIS A 17 -5.535 4.669 -4.453 1.00 1.00 C ATOM 252 CG HIS A 17 -6.010 3.517 -5.305 1.00 1.00 C ATOM 253 ND1 HIS A 17 -6.837 3.687 -6.402 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.765 2.178 -5.212 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.074 2.498 -6.936 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.409 1.564 -6.197 1.00 1.00 N ATOM 0 H HIS A 17 -4.206 6.034 -2.842 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.498 4.139 -4.644 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.660 4.406 -3.403 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.170 5.534 -4.643 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.202 4.577 -6.742 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.151 1.699 -4.464 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -7.686 2.303 -7.804 1.00 1.00 H new ATOM 264 N LYS A 18 -4.422 6.852 -6.271 1.00 1.00 N ATOM 265 CA LYS A 18 -4.290 7.550 -7.539 1.00 1.00 C ATOM 266 C LYS A 18 -2.837 7.469 -8.012 1.00 1.00 C ATOM 267 O LYS A 18 -2.556 6.910 -9.071 1.00 1.00 O ATOM 268 CB LYS A 18 -4.820 8.980 -7.420 1.00 1.00 C ATOM 269 CG LYS A 18 -4.702 9.721 -8.754 1.00 1.00 C ATOM 270 CD LYS A 18 -5.503 9.011 -9.847 1.00 1.00 C ATOM 271 CE LYS A 18 -6.456 9.983 -10.548 1.00 1.00 C ATOM 272 NZ LYS A 18 -7.491 9.241 -11.302 1.00 1.00 N ATOM 0 H LYS A 18 -4.979 7.342 -5.570 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.901 7.071 -8.304 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.862 8.960 -7.102 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.262 9.516 -6.652 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.063 10.743 -8.640 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -3.654 9.784 -9.048 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -4.821 8.574 -10.577 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -6.072 8.190 -9.411 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -6.930 10.632 -9.811 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -5.895 10.626 -11.226 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -8.129 9.915 -11.771 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -7.035 8.640 -12.018 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -8.037 8.646 -10.647 1.00 1.00 H new ATOM 285 N ALA A 19 -1.953 8.036 -7.204 1.00 1.00 N ATOM 286 CA ALA A 19 -0.536 8.035 -7.527 1.00 1.00 C ATOM 287 C ALA A 19 -0.088 6.605 -7.833 1.00 1.00 C ATOM 288 O ALA A 19 0.538 6.354 -8.862 1.00 1.00 O ATOM 289 CB ALA A 19 0.251 8.659 -6.372 1.00 1.00 C ATOM 0 H ALA A 19 -2.190 8.499 -6.327 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.344 8.637 -8.415 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.314 8.658 -6.614 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.085 9.684 -6.215 1.00 1.00 H new ATOM 0 HB3 ALA A 19 0.085 8.080 -5.464 1.00 1.00 H new ATOM 295 N HIS A 20 -0.427 5.705 -6.922 1.00 1.00 N ATOM 296 CA HIS A 20 -0.067 4.306 -7.082 1.00 1.00 C ATOM 297 C HIS A 20 -0.710 3.753 -8.354 1.00 1.00 C ATOM 298 O HIS A 20 -0.229 2.775 -8.923 1.00 1.00 O ATOM 299 CB HIS A 20 -0.437 3.504 -5.833 1.00 1.00 C ATOM 300 CG HIS A 20 0.576 3.600 -4.718 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.553 4.606 -3.768 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.642 2.805 -4.411 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.564 4.416 -2.933 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.238 3.300 -3.333 1.00 1.00 N ATOM 0 H HIS A 20 -0.947 5.917 -6.071 1.00 1.00 H new ATOM 0 HA HIS A 20 1.013 4.215 -7.194 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.402 3.851 -5.464 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.559 2.457 -6.109 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.127 5.365 -3.719 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.949 1.923 -4.953 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.811 5.036 -2.084 1.00 1.00 H new ATOM 312 N GLN A 21 -1.790 4.404 -8.764 1.00 1.00 N ATOM 313 CA GLN A 21 -2.504 3.989 -9.960 1.00 1.00 C ATOM 314 C GLN A 21 -1.817 4.545 -11.209 1.00 1.00 C ATOM 315 O GLN A 21 -2.126 4.134 -12.326 1.00 1.00 O ATOM 316 CB GLN A 21 -3.970 4.424 -9.901 1.00 1.00 C ATOM 317 CG GLN A 21 -4.818 3.394 -9.151 1.00 1.00 C ATOM 318 CD GLN A 21 -6.310 3.699 -9.299 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.688 4.838 -8.726 1.00 1.00 O flip ATOM 320 NE2 GLN A 21 -7.067 2.950 -9.894 1.00 1.00 N flip ATOM 0 H GLN A 21 -2.187 5.215 -8.290 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.483 2.900 -10.013 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.046 5.392 -9.406 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.356 4.551 -10.912 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.608 2.396 -9.535 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.546 3.393 -8.095 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -6.710 2.090 -10.311 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.057 3.184 -9.974 1.00 1.00 H new ATOM 329 N LYS A 22 -0.899 5.471 -10.977 1.00 1.00 N ATOM 330 CA LYS A 22 -0.165 6.088 -12.069 1.00 1.00 C ATOM 331 C LYS A 22 1.274 5.569 -12.069 1.00 1.00 C ATOM 332 O LYS A 22 1.867 5.371 -13.128 1.00 1.00 O ATOM 333 CB LYS A 22 -0.269 7.612 -11.991 1.00 1.00 C ATOM 334 CG LYS A 22 0.101 8.256 -13.329 1.00 1.00 C ATOM 335 CD LYS A 22 -1.138 8.452 -14.205 1.00 1.00 C ATOM 336 CE LYS A 22 -0.784 9.189 -15.498 1.00 1.00 C ATOM 337 NZ LYS A 22 -0.826 10.654 -15.288 1.00 1.00 N ATOM 0 H LYS A 22 -0.646 5.809 -10.049 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.604 5.810 -13.027 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.284 7.897 -11.714 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.391 7.986 -11.208 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.582 9.218 -13.153 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.824 7.629 -13.851 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -1.577 7.483 -14.443 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.891 9.016 -13.655 1.00 1.00 H new ATOM 0 HE2 LYS A 22 0.210 8.892 -15.832 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -1.483 8.909 -16.286 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.583 11.139 -16.175 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -1.782 10.935 -14.990 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -0.142 10.919 -14.551 1.00 1.00 H new ATOM 350 N ALA A 23 1.795 5.363 -10.868 1.00 1.00 N ATOM 351 CA ALA A 23 3.153 4.871 -10.716 1.00 1.00 C ATOM 352 C ALA A 23 3.200 3.390 -11.095 1.00 1.00 C ATOM 353 O ALA A 23 4.218 2.903 -11.586 1.00 1.00 O ATOM 354 CB ALA A 23 3.630 5.122 -9.283 1.00 1.00 C ATOM 0 H ALA A 23 1.301 5.528 -9.991 1.00 1.00 H new ATOM 0 HA ALA A 23 3.831 5.403 -11.383 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.649 4.753 -9.169 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.606 6.191 -9.074 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.975 4.601 -8.585 1.00 1.00 H new ATOM 360 N VAL A 24 2.087 2.714 -10.853 1.00 1.00 N ATOM 361 CA VAL A 24 1.988 1.298 -11.164 1.00 1.00 C ATOM 362 C VAL A 24 0.835 1.075 -12.144 1.00 1.00 C ATOM 363 O VAL A 24 -0.273 0.694 -11.773 1.00 1.00 O ATOM 364 CB VAL A 24 1.841 0.489 -9.873 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.312 -0.917 -10.165 1.00 1.00 C ATOM 366 CG2 VAL A 24 3.166 0.429 -9.111 1.00 1.00 C ATOM 0 H VAL A 24 1.245 3.121 -10.445 1.00 1.00 H new ATOM 0 HA VAL A 24 2.899 0.948 -11.650 1.00 1.00 H new ATOM 0 HB VAL A 24 1.113 0.996 -9.240 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.217 -1.471 -9.231 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.336 -0.846 -10.646 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.006 -1.437 -10.826 1.00 1.00 H new ATOM 0 HG21 VAL A 24 3.035 -0.151 -8.198 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.924 -0.044 -9.736 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.485 1.440 -8.856 1.00 1.00 H new ATOM 376 N PRO A 25 1.125 1.323 -13.423 1.00 1.00 N ATOM 377 CA PRO A 25 0.188 1.177 -14.516 1.00 1.00 C ATOM 378 C PRO A 25 -0.404 -0.225 -14.497 1.00 1.00 C ATOM 379 O PRO A 25 -1.444 -0.439 -15.117 1.00 1.00 O ATOM 380 CB PRO A 25 1.019 1.403 -15.777 1.00 1.00 C ATOM 381 CG PRO A 25 2.183 2.197 -15.343 1.00 1.00 C ATOM 382 CD PRO A 25 2.418 1.772 -13.895 1.00 1.00 C ATOM 0 HA PRO A 25 -0.646 1.876 -14.456 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.332 0.456 -16.216 1.00 1.00 H new ATOM 0 HB3 PRO A 25 0.444 1.932 -16.537 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.056 1.993 -15.963 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.983 3.266 -15.415 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.160 0.976 -13.833 1.00 1.00 H new ATOM 0 HD3 PRO A 25 2.791 2.602 -13.295 1.00 1.00 H new ATOM 390 N ASP A 26 0.255 -1.138 -13.799 1.00 1.00 N ATOM 391 CA ASP A 26 -0.224 -2.507 -13.717 1.00 1.00 C ATOM 392 C ASP A 26 -1.056 -2.677 -12.445 1.00 1.00 C ATOM 393 O ASP A 26 -0.507 -2.856 -11.359 1.00 1.00 O ATOM 394 CB ASP A 26 0.942 -3.497 -13.655 1.00 1.00 C ATOM 395 CG ASP A 26 2.316 -2.896 -13.955 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.553 -2.358 -15.047 1.00 1.00 O ATOM 397 OD2 ASP A 26 3.176 -2.997 -12.999 1.00 1.00 O ATOM 0 H ASP A 26 1.117 -0.956 -13.285 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.821 -2.708 -14.607 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.967 -3.944 -12.661 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.752 -4.304 -14.363 1.00 1.00 H new ATOM 403 N CYS A 27 -2.368 -2.615 -12.621 1.00 1.00 N ATOM 404 CA CYS A 27 -3.281 -2.759 -11.500 1.00 1.00 C ATOM 405 C CYS A 27 -3.496 -4.252 -11.244 1.00 1.00 C ATOM 406 O CYS A 27 -4.632 -4.720 -11.198 1.00 1.00 O ATOM 407 CB CYS A 27 -4.602 -2.027 -11.749 1.00 1.00 C ATOM 408 SG CYS A 27 -4.466 -0.533 -12.796 1.00 1.00 S ATOM 0 H CYS A 27 -2.820 -2.467 -13.523 1.00 1.00 H new ATOM 0 HA CYS A 27 -2.847 -2.298 -10.613 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.302 -2.719 -12.217 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.030 -1.742 -10.788 1.00 1.00 H new ATOM 413 N LYS A 28 -2.386 -4.958 -11.085 1.00 1.00 N ATOM 414 CA LYS A 28 -2.438 -6.388 -10.835 1.00 1.00 C ATOM 415 C LYS A 28 -1.541 -6.726 -9.642 1.00 1.00 C ATOM 416 O LYS A 28 -1.989 -7.350 -8.682 1.00 1.00 O ATOM 417 CB LYS A 28 -2.091 -7.167 -12.105 1.00 1.00 C ATOM 418 CG LYS A 28 -2.546 -6.409 -13.354 1.00 1.00 C ATOM 419 CD LYS A 28 -2.968 -7.378 -14.460 1.00 1.00 C ATOM 420 CE LYS A 28 -2.590 -6.835 -15.840 1.00 1.00 C ATOM 421 NZ LYS A 28 -2.378 -7.945 -16.795 1.00 1.00 N ATOM 0 H LYS A 28 -1.445 -4.566 -11.125 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.451 -6.691 -10.569 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.015 -7.336 -12.150 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -2.567 -8.147 -12.076 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -3.380 -5.753 -13.102 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -1.737 -5.773 -13.712 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -2.490 -8.345 -14.303 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -4.044 -7.543 -14.413 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -3.378 -6.178 -16.207 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -1.684 -6.234 -15.765 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -2.122 -7.558 -17.726 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -1.610 -8.557 -16.452 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -3.252 -8.502 -16.880 1.00 1.00 H new ATOM 434 N LYS A 29 -0.291 -6.298 -9.743 1.00 1.00 N ATOM 435 CA LYS A 29 0.673 -6.548 -8.684 1.00 1.00 C ATOM 436 C LYS A 29 0.051 -6.175 -7.337 1.00 1.00 C ATOM 437 O LYS A 29 0.468 -6.682 -6.296 1.00 1.00 O ATOM 438 CB LYS A 29 1.988 -5.824 -8.976 1.00 1.00 C ATOM 439 CG LYS A 29 2.953 -5.942 -7.794 1.00 1.00 C ATOM 440 CD LYS A 29 3.566 -7.342 -7.725 1.00 1.00 C ATOM 441 CE LYS A 29 5.004 -7.286 -7.205 1.00 1.00 C ATOM 442 NZ LYS A 29 5.127 -8.040 -5.938 1.00 1.00 N ATOM 0 H LYS A 29 0.077 -5.780 -10.541 1.00 1.00 H new ATOM 0 HA LYS A 29 0.923 -7.608 -8.638 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.449 -6.245 -9.870 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.790 -4.773 -9.185 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.745 -5.199 -7.890 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.425 -5.726 -6.865 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.964 -7.975 -7.073 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.551 -7.799 -8.715 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.683 -7.702 -7.950 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.300 -6.249 -7.048 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.109 -7.992 -5.599 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 4.494 -7.626 -5.225 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 4.865 -9.034 -6.098 1.00 1.00 H new ATOM 455 N CYS A 30 -0.935 -5.293 -7.400 1.00 1.00 N ATOM 456 CA CYS A 30 -1.618 -4.847 -6.197 1.00 1.00 C ATOM 457 C CYS A 30 -2.978 -5.544 -6.130 1.00 1.00 C ATOM 458 O CYS A 30 -3.465 -5.860 -5.046 1.00 1.00 O ATOM 459 CB CYS A 30 -1.755 -3.324 -6.157 1.00 1.00 C ATOM 460 SG CYS A 30 -0.582 -2.622 -4.941 1.00 1.00 S ATOM 0 H CYS A 30 -1.278 -4.875 -8.265 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.029 -5.117 -5.320 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.560 -2.907 -7.145 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.776 -3.049 -5.891 1.00 1.00 H new ATOM 465 N HIS A 31 -3.553 -5.764 -7.304 1.00 1.00 N ATOM 466 CA HIS A 31 -4.848 -6.418 -7.392 1.00 1.00 C ATOM 467 C HIS A 31 -4.677 -7.814 -7.995 1.00 1.00 C ATOM 468 O HIS A 31 -4.414 -7.950 -9.189 1.00 1.00 O ATOM 469 CB HIS A 31 -5.842 -5.553 -8.170 1.00 1.00 C ATOM 470 CG HIS A 31 -6.258 -4.295 -7.446 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.086 -4.306 -6.338 1.00 1.00 N ATOM 472 CD2 HIS A 31 -5.951 -2.987 -7.684 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.264 -3.056 -5.935 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.560 -2.240 -6.772 1.00 1.00 N ATOM 0 H HIS A 31 -3.146 -5.501 -8.202 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.267 -6.540 -6.393 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.398 -5.279 -9.127 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.731 -6.145 -8.388 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.491 -5.136 -5.904 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.319 -2.622 -8.480 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.861 -2.739 -5.093 1.00 1.00 H new ATOM 482 N GLU A 32 -4.834 -8.815 -7.142 1.00 1.00 N ATOM 483 CA GLU A 32 -4.701 -10.196 -7.576 1.00 1.00 C ATOM 484 C GLU A 32 -5.943 -10.629 -8.358 1.00 1.00 C ATOM 485 O GLU A 32 -6.073 -10.324 -9.542 1.00 1.00 O ATOM 486 CB GLU A 32 -4.452 -11.123 -6.385 1.00 1.00 C ATOM 487 CG GLU A 32 -2.987 -11.071 -5.947 1.00 1.00 C ATOM 488 CD GLU A 32 -2.388 -12.477 -5.869 1.00 1.00 C ATOM 489 OE1 GLU A 32 -2.031 -12.939 -4.774 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.299 -13.096 -6.997 1.00 1.00 O ATOM 0 H GLU A 32 -5.052 -8.698 -6.152 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.837 -10.267 -8.237 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.094 -10.833 -5.553 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -4.719 -12.145 -6.653 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.415 -10.466 -6.651 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.912 -10.585 -4.974 1.00 1.00 H new ATOM 498 N LYS A 33 -6.825 -11.333 -7.663 1.00 1.00 N ATOM 499 CA LYS A 33 -8.052 -11.811 -8.277 1.00 1.00 C ATOM 500 C LYS A 33 -8.590 -10.741 -9.229 1.00 1.00 C ATOM 501 O LYS A 33 -9.226 -11.062 -10.232 1.00 1.00 O ATOM 502 CB LYS A 33 -9.055 -12.241 -7.205 1.00 1.00 C ATOM 503 CG LYS A 33 -8.666 -13.591 -6.600 1.00 1.00 C ATOM 504 CD LYS A 33 -7.714 -13.408 -5.416 1.00 1.00 C ATOM 505 CE LYS A 33 -7.966 -14.467 -4.341 1.00 1.00 C ATOM 506 NZ LYS A 33 -7.321 -14.077 -3.068 1.00 1.00 N ATOM 0 H LYS A 33 -6.714 -11.584 -6.681 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.858 -12.702 -8.874 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.100 -11.486 -6.420 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.052 -12.307 -7.640 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.562 -14.118 -6.273 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.191 -14.211 -7.360 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -6.682 -13.473 -5.761 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -7.845 -12.413 -4.990 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -9.038 -14.591 -4.189 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -7.577 -15.430 -4.672 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -7.502 -14.807 -2.349 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -6.296 -13.981 -3.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -7.711 -13.169 -2.745 1.00 1.00 H new ATOM 519 N GLY A 34 -8.316 -9.492 -8.882 1.00 1.00 N ATOM 520 CA GLY A 34 -8.766 -8.374 -9.693 1.00 1.00 C ATOM 521 C GLY A 34 -8.863 -7.095 -8.858 1.00 1.00 C ATOM 522 O GLY A 34 -8.589 -7.075 -7.661 1.00 1.00 O ATOM 0 H GLY A 34 -7.788 -9.230 -8.050 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.075 -8.220 -10.522 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.739 -8.604 -10.128 1.00 1.00 H new ATOM 526 N PRO A 35 -9.267 -6.013 -9.529 1.00 1.00 N ATOM 527 CA PRO A 35 -9.430 -4.702 -8.939 1.00 1.00 C ATOM 528 C PRO A 35 -10.533 -4.748 -7.892 1.00 1.00 C ATOM 529 O PRO A 35 -11.639 -5.180 -8.212 1.00 1.00 O ATOM 530 CB PRO A 35 -9.818 -3.794 -10.104 1.00 1.00 C ATOM 531 CG PRO A 35 -9.350 -4.564 -11.388 1.00 1.00 C ATOM 532 CD PRO A 35 -9.597 -6.002 -10.937 1.00 1.00 C ATOM 0 HA PRO A 35 -8.530 -4.347 -8.438 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.892 -3.612 -10.122 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.331 -2.822 -10.027 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -9.933 -4.298 -12.270 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -8.304 -4.376 -11.629 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.634 -6.295 -11.102 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.975 -6.703 -11.494 1.00 1.00 H new ATOM 540 N GLY A 36 -10.221 -4.311 -6.680 1.00 1.00 N ATOM 541 CA GLY A 36 -11.201 -4.314 -5.608 1.00 1.00 C ATOM 542 C GLY A 36 -10.565 -4.745 -4.285 1.00 1.00 C ATOM 543 O GLY A 36 -9.367 -4.562 -4.079 1.00 1.00 O ATOM 0 H GLY A 36 -9.303 -3.953 -6.417 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.632 -3.318 -5.501 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.019 -4.990 -5.860 1.00 1.00 H new ATOM 547 N LYS A 37 -11.397 -5.309 -3.421 1.00 1.00 N ATOM 548 CA LYS A 37 -10.931 -5.768 -2.124 1.00 1.00 C ATOM 549 C LYS A 37 -9.859 -6.841 -2.322 1.00 1.00 C ATOM 550 O LYS A 37 -9.901 -7.594 -3.293 1.00 1.00 O ATOM 551 CB LYS A 37 -12.110 -6.227 -1.263 1.00 1.00 C ATOM 552 CG LYS A 37 -12.526 -7.656 -1.620 1.00 1.00 C ATOM 553 CD LYS A 37 -13.589 -8.176 -0.651 1.00 1.00 C ATOM 554 CE LYS A 37 -14.788 -8.749 -1.409 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.362 -9.899 -0.676 1.00 1.00 N ATOM 0 H LYS A 37 -12.391 -5.458 -3.594 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.465 -4.950 -1.575 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.837 -6.177 -0.209 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -12.954 -5.552 -1.406 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.913 -7.682 -2.638 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.654 -8.310 -1.594 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.157 -8.945 -0.011 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -13.919 -7.367 0.001 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.547 -7.977 -1.538 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.479 -9.063 -2.406 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -16.175 -10.276 -1.204 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -14.640 -10.641 -0.574 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.675 -9.589 0.266 1.00 1.00 H new ATOM 568 N ILE A 38 -8.923 -6.877 -1.385 1.00 1.00 N ATOM 569 CA ILE A 38 -7.841 -7.846 -1.444 1.00 1.00 C ATOM 570 C ILE A 38 -7.955 -8.804 -0.257 1.00 1.00 C ATOM 571 O ILE A 38 -8.151 -8.371 0.878 1.00 1.00 O ATOM 572 CB ILE A 38 -6.490 -7.135 -1.533 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.515 -6.041 -2.603 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.357 -8.137 -1.765 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.326 -5.091 -2.444 1.00 1.00 C ATOM 0 H ILE A 38 -8.891 -6.251 -0.580 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.918 -8.449 -2.349 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.298 -6.647 -0.578 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.492 -6.496 -3.593 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.446 -5.479 -2.532 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.407 -7.605 -1.824 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.324 -8.847 -0.939 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.531 -8.674 -2.698 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.368 -4.323 -3.217 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.366 -4.620 -1.462 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.397 -5.652 -2.540 1.00 1.00 H new ATOM 587 N GLU A 39 -7.827 -10.087 -0.559 1.00 1.00 N ATOM 588 CA GLU A 39 -7.913 -11.111 0.469 1.00 1.00 C ATOM 589 C GLU A 39 -6.512 -11.533 0.916 1.00 1.00 C ATOM 590 O GLU A 39 -5.665 -11.863 0.087 1.00 1.00 O ATOM 591 CB GLU A 39 -8.719 -12.315 -0.022 1.00 1.00 C ATOM 592 CG GLU A 39 -9.693 -12.798 1.054 1.00 1.00 C ATOM 593 CD GLU A 39 -9.865 -14.317 0.996 1.00 1.00 C ATOM 594 OE1 GLU A 39 -9.532 -15.016 1.965 1.00 1.00 O ATOM 595 OE2 GLU A 39 -10.365 -14.768 -0.104 1.00 1.00 O ATOM 0 H GLU A 39 -7.664 -10.442 -1.501 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.436 -10.692 1.329 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.271 -12.045 -0.922 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.041 -13.124 -0.294 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -9.326 -12.507 2.038 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.660 -12.314 0.918 1.00 1.00 H new ATOM 603 N GLY A 40 -6.311 -11.509 2.225 1.00 1.00 N ATOM 604 CA GLY A 40 -5.027 -11.886 2.792 1.00 1.00 C ATOM 605 C GLY A 40 -4.307 -10.668 3.375 1.00 1.00 C ATOM 606 O GLY A 40 -3.734 -10.743 4.461 1.00 1.00 O ATOM 0 H GLY A 40 -7.016 -11.234 2.910 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.175 -12.633 3.572 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.407 -12.346 2.023 1.00 1.00 H new ATOM 610 N PHE A 41 -4.359 -9.576 2.628 1.00 1.00 N ATOM 611 CA PHE A 41 -3.719 -8.344 3.056 1.00 1.00 C ATOM 612 C PHE A 41 -4.332 -7.833 4.361 1.00 1.00 C ATOM 613 O PHE A 41 -5.421 -7.261 4.357 1.00 1.00 O ATOM 614 CB PHE A 41 -3.957 -7.309 1.955 1.00 1.00 C ATOM 615 CG PHE A 41 -3.233 -5.981 2.182 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.724 -5.083 3.078 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.097 -5.698 1.489 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.052 -3.850 3.289 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.425 -4.465 1.700 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.916 -3.567 2.595 1.00 1.00 C ATOM 0 H PHE A 41 -4.835 -9.518 1.728 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.657 -8.517 3.228 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.636 -7.728 1.001 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -5.027 -7.118 1.875 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.625 -5.308 3.629 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.706 -6.411 0.778 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.442 -3.137 4.000 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.523 -4.240 1.149 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.405 -2.629 2.755 1.00 1.00 H new ATOM 630 N GLY A 42 -3.607 -8.057 5.447 1.00 1.00 N ATOM 631 CA GLY A 42 -4.066 -7.627 6.756 1.00 1.00 C ATOM 632 C GLY A 42 -2.943 -6.934 7.531 1.00 1.00 C ATOM 633 O GLY A 42 -3.202 -6.067 8.364 1.00 1.00 O ATOM 0 H GLY A 42 -2.704 -8.531 5.447 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.909 -6.946 6.644 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.425 -8.488 7.320 1.00 1.00 H new ATOM 637 N LYS A 43 -1.720 -7.342 7.228 1.00 1.00 N ATOM 638 CA LYS A 43 -0.556 -6.772 7.885 1.00 1.00 C ATOM 639 C LYS A 43 0.710 -7.231 7.160 1.00 1.00 C ATOM 640 O LYS A 43 1.301 -6.471 6.393 1.00 1.00 O ATOM 641 CB LYS A 43 -0.565 -7.108 9.378 1.00 1.00 C ATOM 642 CG LYS A 43 -0.059 -5.927 10.209 1.00 1.00 C ATOM 643 CD LYS A 43 0.757 -6.412 11.410 1.00 1.00 C ATOM 644 CE LYS A 43 -0.029 -6.242 12.711 1.00 1.00 C ATOM 645 NZ LYS A 43 0.812 -6.599 13.875 1.00 1.00 N ATOM 0 H LYS A 43 -1.509 -8.061 6.536 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.581 -5.684 7.826 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.576 -7.370 9.689 1.00 1.00 H new ATOM 0 HB3 LYS A 43 0.061 -7.981 9.562 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.555 -5.276 9.587 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.904 -5.332 10.555 1.00 1.00 H new ATOM 0 HD2 LYS A 43 1.021 -7.461 11.275 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.691 -5.853 11.469 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -0.371 -5.211 12.804 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -0.918 -6.872 12.691 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.263 -6.478 14.750 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 1.117 -7.590 13.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 1.648 -5.980 13.902 1.00 1.00 H new ATOM 658 N GLU A 44 1.090 -8.471 7.427 1.00 1.00 N ATOM 659 CA GLU A 44 2.276 -9.040 6.809 1.00 1.00 C ATOM 660 C GLU A 44 2.416 -8.541 5.369 1.00 1.00 C ATOM 661 O GLU A 44 3.490 -8.099 4.963 1.00 1.00 O ATOM 662 CB GLU A 44 2.240 -10.569 6.858 1.00 1.00 C ATOM 663 CG GLU A 44 3.247 -11.173 5.877 1.00 1.00 C ATOM 664 CD GLU A 44 4.681 -10.985 6.378 1.00 1.00 C ATOM 665 OE1 GLU A 44 5.168 -11.794 7.181 1.00 1.00 O ATOM 666 OE2 GLU A 44 5.294 -9.954 5.902 1.00 1.00 O ATOM 0 H GLU A 44 0.598 -9.098 8.063 1.00 1.00 H new ATOM 0 HA GLU A 44 3.149 -8.711 7.373 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.463 -10.909 7.869 1.00 1.00 H new ATOM 0 HB3 GLU A 44 1.237 -10.921 6.617 1.00 1.00 H new ATOM 0 HG2 GLU A 44 3.040 -12.235 5.746 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.135 -10.703 4.900 1.00 1.00 H new ATOM 674 N MET A 45 1.314 -8.627 4.637 1.00 1.00 N ATOM 675 CA MET A 45 1.301 -8.190 3.252 1.00 1.00 C ATOM 676 C MET A 45 1.873 -6.777 3.117 1.00 1.00 C ATOM 677 O MET A 45 2.843 -6.563 2.391 1.00 1.00 O ATOM 678 CB MET A 45 -0.135 -8.212 2.724 1.00 1.00 C ATOM 679 CG MET A 45 -0.534 -9.620 2.277 1.00 1.00 C ATOM 680 SD MET A 45 -1.046 -10.585 3.688 1.00 1.00 S ATOM 681 CE MET A 45 -0.192 -12.115 3.345 1.00 1.00 C ATOM 0 H MET A 45 0.425 -8.993 4.978 1.00 1.00 H new ATOM 0 HA MET A 45 1.923 -8.870 2.670 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.817 -7.866 3.501 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.229 -7.521 1.887 1.00 1.00 H new ATOM 0 HG2 MET A 45 -1.345 -9.564 1.551 1.00 1.00 H new ATOM 0 HG3 MET A 45 0.306 -10.105 1.780 1.00 1.00 H new ATOM 0 HE1 MET A 45 -0.404 -12.835 4.135 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.531 -12.514 2.389 1.00 1.00 H new ATOM 0 HE3 MET A 45 0.881 -11.931 3.301 1.00 1.00 H new ATOM 691 N ALA A 46 1.248 -5.850 3.827 1.00 1.00 N ATOM 692 CA ALA A 46 1.683 -4.464 3.796 1.00 1.00 C ATOM 693 C ALA A 46 3.142 -4.381 4.248 1.00 1.00 C ATOM 694 O ALA A 46 3.937 -3.650 3.660 1.00 1.00 O ATOM 695 CB ALA A 46 0.754 -3.618 4.669 1.00 1.00 C ATOM 0 H ALA A 46 0.444 -6.031 4.427 1.00 1.00 H new ATOM 0 HA ALA A 46 1.629 -4.068 2.782 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.080 -2.578 4.646 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.265 -3.687 4.289 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.784 -3.985 5.695 1.00 1.00 H new ATOM 701 N HIS A 47 3.450 -5.142 5.288 1.00 1.00 N ATOM 702 CA HIS A 47 4.800 -5.164 5.825 1.00 1.00 C ATOM 703 C HIS A 47 5.674 -6.092 4.979 1.00 1.00 C ATOM 704 O HIS A 47 6.816 -6.374 5.338 1.00 1.00 O ATOM 705 CB HIS A 47 4.789 -5.548 7.306 1.00 1.00 C ATOM 706 CG HIS A 47 3.972 -4.621 8.175 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.111 -5.079 9.156 1.00 1.00 N ATOM 708 CD2 HIS A 47 3.896 -3.260 8.199 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.545 -4.032 9.738 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.033 -2.905 9.144 1.00 1.00 N ATOM 0 H HIS A 47 2.788 -5.748 5.773 1.00 1.00 H new ATOM 0 HA HIS A 47 5.233 -4.165 5.771 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.398 -6.561 7.405 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.815 -5.564 7.674 1.00 1.00 H new ATOM 0 HD1 HIS A 47 2.941 -6.057 9.391 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.444 -2.585 7.558 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.824 -4.065 10.541 1.00 1.00 H new ATOM 718 N GLY A 48 5.104 -6.542 3.871 1.00 1.00 N ATOM 719 CA GLY A 48 5.816 -7.432 2.970 1.00 1.00 C ATOM 720 C GLY A 48 5.264 -7.329 1.547 1.00 1.00 C ATOM 721 O GLY A 48 5.043 -6.230 1.041 1.00 1.00 O ATOM 0 H GLY A 48 4.156 -6.307 3.577 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.877 -7.183 2.971 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.729 -8.459 3.324 1.00 1.00 H new ATOM 725 N LYS A 49 5.058 -8.490 0.941 1.00 1.00 N ATOM 726 CA LYS A 49 4.536 -8.544 -0.414 1.00 1.00 C ATOM 727 C LYS A 49 3.127 -7.949 -0.437 1.00 1.00 C ATOM 728 O LYS A 49 2.141 -8.681 -0.510 1.00 1.00 O ATOM 729 CB LYS A 49 4.610 -9.972 -0.959 1.00 1.00 C ATOM 730 CG LYS A 49 5.877 -10.176 -1.792 1.00 1.00 C ATOM 731 CD LYS A 49 6.077 -11.655 -2.132 1.00 1.00 C ATOM 732 CE LYS A 49 7.098 -11.825 -3.258 1.00 1.00 C ATOM 733 NZ LYS A 49 8.162 -12.772 -2.855 1.00 1.00 N ATOM 0 H LYS A 49 5.243 -9.400 1.364 1.00 1.00 H new ATOM 0 HA LYS A 49 5.148 -7.940 -1.083 1.00 1.00 H new ATOM 0 HB2 LYS A 49 4.596 -10.682 -0.132 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.731 -10.178 -1.570 1.00 1.00 H new ATOM 0 HG2 LYS A 49 5.810 -9.594 -2.711 1.00 1.00 H new ATOM 0 HG3 LYS A 49 6.742 -9.805 -1.242 1.00 1.00 H new ATOM 0 HD2 LYS A 49 6.414 -12.193 -1.246 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.125 -12.095 -2.430 1.00 1.00 H new ATOM 0 HE2 LYS A 49 6.600 -12.189 -4.156 1.00 1.00 H new ATOM 0 HE3 LYS A 49 7.538 -10.859 -3.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 8.847 -12.876 -3.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 8.648 -12.409 -2.010 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 7.740 -13.698 -2.640 1.00 1.00 H new ATOM 746 N GLY A 50 3.077 -6.626 -0.374 1.00 1.00 N ATOM 747 CA GLY A 50 1.805 -5.924 -0.387 1.00 1.00 C ATOM 748 C GLY A 50 2.011 -4.419 -0.566 1.00 1.00 C ATOM 749 O GLY A 50 1.367 -3.796 -1.409 1.00 1.00 O ATOM 0 H GLY A 50 3.897 -6.022 -0.314 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.182 -6.308 -1.195 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.272 -6.113 0.545 1.00 1.00 H new ATOM 753 N CYS A 51 2.912 -3.877 0.241 1.00 1.00 N ATOM 754 CA CYS A 51 3.212 -2.457 0.182 1.00 1.00 C ATOM 755 C CYS A 51 4.727 -2.280 0.299 1.00 1.00 C ATOM 756 O CYS A 51 5.351 -1.659 -0.561 1.00 1.00 O ATOM 757 CB CYS A 51 2.462 -1.676 1.263 1.00 1.00 C ATOM 758 SG CYS A 51 0.659 -1.982 1.320 1.00 1.00 S ATOM 0 H CYS A 51 3.444 -4.396 0.939 1.00 1.00 H new ATOM 0 HA CYS A 51 2.872 -2.050 -0.771 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.889 -1.926 2.234 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.631 -0.611 1.105 1.00 1.00 H new ATOM 763 N LYS A 52 5.276 -2.837 1.368 1.00 1.00 N ATOM 764 CA LYS A 52 6.706 -2.749 1.608 1.00 1.00 C ATOM 765 C LYS A 52 7.447 -3.574 0.554 1.00 1.00 C ATOM 766 O LYS A 52 8.372 -3.080 -0.089 1.00 1.00 O ATOM 767 CB LYS A 52 7.034 -3.152 3.047 1.00 1.00 C ATOM 768 CG LYS A 52 7.763 -2.024 3.780 1.00 1.00 C ATOM 769 CD LYS A 52 9.280 -2.184 3.661 1.00 1.00 C ATOM 770 CE LYS A 52 9.854 -2.902 4.883 1.00 1.00 C ATOM 771 NZ LYS A 52 11.312 -3.102 4.730 1.00 1.00 N ATOM 0 H LYS A 52 4.756 -3.352 2.079 1.00 1.00 H new ATOM 0 HA LYS A 52 7.047 -1.719 1.505 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.115 -3.400 3.577 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.653 -4.049 3.045 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.462 -1.062 3.366 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.475 -2.023 4.831 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.520 -2.746 2.759 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.746 -1.204 3.559 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.653 -2.319 5.782 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.360 -3.865 5.011 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.685 -3.591 5.569 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.497 -3.677 3.883 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.780 -2.179 4.630 1.00 1.00 H new ATOM 784 N GLY A 53 7.013 -4.817 0.409 1.00 1.00 N ATOM 785 CA GLY A 53 7.624 -5.716 -0.556 1.00 1.00 C ATOM 786 C GLY A 53 8.010 -4.967 -1.833 1.00 1.00 C ATOM 787 O GLY A 53 9.126 -5.115 -2.330 1.00 1.00 O ATOM 0 H GLY A 53 6.245 -5.223 0.944 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.509 -6.178 -0.119 1.00 1.00 H new ATOM 0 HA3 GLY A 53 6.931 -6.522 -0.798 1.00 1.00 H new ATOM 791 N CYS A 54 7.067 -4.180 -2.328 1.00 1.00 N ATOM 792 CA CYS A 54 7.295 -3.408 -3.538 1.00 1.00 C ATOM 793 C CYS A 54 8.215 -2.236 -3.194 1.00 1.00 C ATOM 794 O CYS A 54 9.119 -1.906 -3.960 1.00 1.00 O ATOM 795 CB CYS A 54 5.981 -2.937 -4.165 1.00 1.00 C ATOM 796 SG CYS A 54 6.296 -2.227 -5.821 1.00 1.00 S ATOM 0 H CYS A 54 6.143 -4.060 -1.913 1.00 1.00 H new ATOM 0 HA CYS A 54 7.774 -4.037 -4.288 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.287 -3.773 -4.245 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.510 -2.192 -3.524 1.00 1.00 H new ATOM 801 N HIS A 55 7.954 -1.638 -2.040 1.00 1.00 N ATOM 802 CA HIS A 55 8.748 -0.509 -1.585 1.00 1.00 C ATOM 803 C HIS A 55 10.210 -0.936 -1.439 1.00 1.00 C ATOM 804 O HIS A 55 11.113 -0.230 -1.885 1.00 1.00 O ATOM 805 CB HIS A 55 8.169 0.077 -0.296 1.00 1.00 C ATOM 806 CG HIS A 55 6.807 0.706 -0.464 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.948 0.929 0.598 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.165 1.156 -1.580 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.842 1.489 0.131 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.978 1.628 -1.219 1.00 1.00 N ATOM 0 H HIS A 55 7.204 -1.914 -1.407 1.00 1.00 H new ATOM 0 HA HIS A 55 8.712 0.289 -2.326 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.103 -0.713 0.452 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.859 0.827 0.092 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.135 0.701 1.574 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.556 1.132 -2.586 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.984 1.784 0.716 1.00 1.00 H new ATOM 818 N GLU A 56 10.397 -2.089 -0.814 1.00 1.00 N ATOM 819 CA GLU A 56 11.734 -2.618 -0.604 1.00 1.00 C ATOM 820 C GLU A 56 12.259 -3.259 -1.890 1.00 1.00 C ATOM 821 O GLU A 56 13.469 -3.336 -2.100 1.00 1.00 O ATOM 822 CB GLU A 56 11.752 -3.617 0.554 1.00 1.00 C ATOM 823 CG GLU A 56 10.524 -4.529 0.512 1.00 1.00 C ATOM 824 CD GLU A 56 10.893 -5.965 0.888 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.779 -6.562 0.259 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.224 -6.460 1.873 1.00 1.00 O ATOM 0 H GLU A 56 9.645 -2.672 -0.446 1.00 1.00 H new ATOM 0 HA GLU A 56 12.393 -1.792 -0.338 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.659 -4.220 0.505 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.778 -3.080 1.502 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.765 -4.154 1.198 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.088 -4.512 -0.487 1.00 1.00 H new ATOM 834 N GLU A 57 11.324 -3.703 -2.717 1.00 1.00 N ATOM 835 CA GLU A 57 11.678 -4.335 -3.976 1.00 1.00 C ATOM 836 C GLU A 57 12.049 -3.276 -5.016 1.00 1.00 C ATOM 837 O GLU A 57 12.974 -3.471 -5.803 1.00 1.00 O ATOM 838 CB GLU A 57 10.540 -5.224 -4.482 1.00 1.00 C ATOM 839 CG GLU A 57 10.837 -5.747 -5.889 1.00 1.00 C ATOM 840 CD GLU A 57 9.550 -6.175 -6.597 1.00 1.00 C ATOM 841 OE1 GLU A 57 8.761 -5.318 -7.022 1.00 1.00 O ATOM 842 OE2 GLU A 57 9.382 -7.450 -6.700 1.00 1.00 O ATOM 0 H GLU A 57 10.322 -3.637 -2.540 1.00 1.00 H new ATOM 0 HA GLU A 57 12.547 -4.972 -3.808 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.399 -6.063 -3.801 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.608 -4.659 -4.489 1.00 1.00 H new ATOM 0 HG2 GLU A 57 11.336 -4.972 -6.471 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.522 -6.593 -5.830 1.00 1.00 H new ATOM 850 N MET A 58 11.309 -2.178 -4.985 1.00 1.00 N ATOM 851 CA MET A 58 11.549 -1.087 -5.915 1.00 1.00 C ATOM 852 C MET A 58 12.471 -0.034 -5.299 1.00 1.00 C ATOM 853 O MET A 58 13.372 0.475 -5.965 1.00 1.00 O ATOM 854 CB MET A 58 10.216 -0.439 -6.297 1.00 1.00 C ATOM 855 CG MET A 58 9.341 -1.411 -7.089 1.00 1.00 C ATOM 856 SD MET A 58 8.197 -0.505 -8.117 1.00 1.00 S ATOM 857 CE MET A 58 8.533 -1.263 -9.698 1.00 1.00 C ATOM 0 H MET A 58 10.543 -2.020 -4.331 1.00 1.00 H new ATOM 0 HA MET A 58 12.034 -1.492 -6.803 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.690 -0.122 -5.396 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.400 0.457 -6.890 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.966 -2.055 -7.707 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.793 -2.060 -6.405 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.899 -0.811 -10.460 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.580 -1.110 -9.960 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.326 -2.332 -9.641 1.00 1.00 H new ATOM 867 N LYS A 59 12.215 0.263 -4.033 1.00 1.00 N ATOM 868 CA LYS A 59 13.012 1.246 -3.319 1.00 1.00 C ATOM 869 C LYS A 59 12.569 2.651 -3.733 1.00 1.00 C ATOM 870 O LYS A 59 13.403 3.504 -4.035 1.00 1.00 O ATOM 871 CB LYS A 59 14.504 0.984 -3.531 1.00 1.00 C ATOM 872 CG LYS A 59 15.202 0.684 -2.203 1.00 1.00 C ATOM 873 CD LYS A 59 15.328 -0.824 -1.978 1.00 1.00 C ATOM 874 CE LYS A 59 16.784 -1.222 -1.727 1.00 1.00 C ATOM 875 NZ LYS A 59 17.571 -1.120 -2.976 1.00 1.00 N ATOM 0 H LYS A 59 11.467 -0.160 -3.484 1.00 1.00 H new ATOM 0 HA LYS A 59 12.848 1.162 -2.245 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.636 0.144 -4.213 1.00 1.00 H new ATOM 0 HB3 LYS A 59 14.966 1.852 -4.001 1.00 1.00 H new ATOM 0 HG2 LYS A 59 16.192 1.140 -2.197 1.00 1.00 H new ATOM 0 HG3 LYS A 59 14.640 1.132 -1.383 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.714 -1.121 -1.127 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.946 -1.358 -2.848 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.217 -0.576 -0.963 1.00 1.00 H new ATOM 0 HE3 LYS A 59 16.828 -2.242 -1.345 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.557 -1.393 -2.789 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 17.166 -1.754 -3.694 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 17.544 -0.140 -3.324 1.00 1.00 H new ATOM 888 N LYS A 60 11.259 2.849 -3.732 1.00 1.00 N ATOM 889 CA LYS A 60 10.697 4.136 -4.104 1.00 1.00 C ATOM 890 C LYS A 60 9.736 4.603 -3.008 1.00 1.00 C ATOM 891 O LYS A 60 9.764 5.767 -2.609 1.00 1.00 O ATOM 892 CB LYS A 60 10.056 4.060 -5.492 1.00 1.00 C ATOM 893 CG LYS A 60 10.542 5.205 -6.383 1.00 1.00 C ATOM 894 CD LYS A 60 10.619 4.766 -7.846 1.00 1.00 C ATOM 895 CE LYS A 60 12.072 4.681 -8.318 1.00 1.00 C ATOM 896 NZ LYS A 60 12.133 4.578 -9.793 1.00 1.00 N ATOM 0 H LYS A 60 10.571 2.140 -3.480 1.00 1.00 H new ATOM 0 HA LYS A 60 11.483 4.887 -4.182 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.299 3.104 -5.957 1.00 1.00 H new ATOM 0 HB3 LYS A 60 8.971 4.103 -5.398 1.00 1.00 H new ATOM 0 HG2 LYS A 60 9.866 6.055 -6.290 1.00 1.00 H new ATOM 0 HG3 LYS A 60 11.524 5.540 -6.048 1.00 1.00 H new ATOM 0 HD2 LYS A 60 10.137 3.795 -7.964 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.071 5.472 -8.470 1.00 1.00 H new ATOM 0 HE2 LYS A 60 12.620 5.563 -7.986 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.557 3.815 -7.867 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 13.126 4.521 -10.096 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 11.627 3.724 -10.103 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 11.689 5.417 -10.218 1.00 1.00 H new ATOM 909 N GLY A 61 8.910 3.673 -2.554 1.00 1.00 N ATOM 910 CA GLY A 61 7.943 3.975 -1.512 1.00 1.00 C ATOM 911 C GLY A 61 8.604 3.971 -0.132 1.00 1.00 C ATOM 912 O GLY A 61 9.817 3.833 0.010 1.00 1.00 O ATOM 0 H GLY A 61 8.890 2.710 -2.888 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.493 4.950 -1.700 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.137 3.241 -1.535 1.00 1.00 H new ATOM 916 N PRO A 62 7.766 4.128 0.895 1.00 1.00 N ATOM 917 CA PRO A 62 8.174 4.154 2.283 1.00 1.00 C ATOM 918 C PRO A 62 8.511 2.742 2.743 1.00 1.00 C ATOM 919 O PRO A 62 7.812 1.808 2.352 1.00 1.00 O ATOM 920 CB PRO A 62 6.963 4.700 3.037 1.00 1.00 C ATOM 921 CG PRO A 62 5.783 4.076 2.171 1.00 1.00 C ATOM 922 CD PRO A 62 6.335 4.293 0.764 1.00 1.00 C ATOM 0 HA PRO A 62 9.061 4.765 2.453 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.936 4.369 4.075 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.938 5.790 3.049 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.616 3.022 2.394 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.835 4.590 2.329 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.917 3.573 0.060 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.085 5.286 0.390 1.00 1.00 H new ATOM 930 N THR A 63 9.556 2.613 3.546 1.00 1.00 N ATOM 931 CA THR A 63 9.964 1.309 4.040 1.00 1.00 C ATOM 932 C THR A 63 10.366 1.398 5.514 1.00 1.00 C ATOM 933 O THR A 63 11.217 0.639 5.975 1.00 1.00 O ATOM 934 CB THR A 63 11.082 0.788 3.135 1.00 1.00 C ATOM 935 OG1 THR A 63 11.793 1.962 2.751 1.00 1.00 O ATOM 936 CG2 THR A 63 10.553 0.225 1.815 1.00 1.00 C ATOM 0 H THR A 63 10.133 3.390 3.867 1.00 1.00 H new ATOM 0 HA THR A 63 9.139 0.597 4.003 1.00 1.00 H new ATOM 0 HB THR A 63 11.643 0.015 3.660 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.538 1.716 2.163 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.387 -0.131 1.211 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.874 -0.603 2.019 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.020 1.007 1.273 1.00 1.00 H new ATOM 944 N LYS A 64 9.736 2.332 6.210 1.00 1.00 N ATOM 945 CA LYS A 64 10.018 2.530 7.622 1.00 1.00 C ATOM 946 C LYS A 64 8.701 2.711 8.380 1.00 1.00 C ATOM 947 O LYS A 64 7.706 3.153 7.807 1.00 1.00 O ATOM 948 CB LYS A 64 11.002 3.686 7.814 1.00 1.00 C ATOM 949 CG LYS A 64 12.286 3.206 8.493 1.00 1.00 C ATOM 950 CD LYS A 64 13.214 4.381 8.807 1.00 1.00 C ATOM 951 CE LYS A 64 13.595 4.399 10.288 1.00 1.00 C ATOM 952 NZ LYS A 64 14.759 5.284 10.513 1.00 1.00 N ATOM 0 H LYS A 64 9.031 2.960 5.823 1.00 1.00 H new ATOM 0 HA LYS A 64 10.509 1.651 8.040 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.241 4.129 6.847 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.538 4.467 8.416 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.039 2.677 9.414 1.00 1.00 H new ATOM 0 HG3 LYS A 64 12.800 2.495 7.846 1.00 1.00 H new ATOM 0 HD2 LYS A 64 14.115 4.311 8.197 1.00 1.00 H new ATOM 0 HD3 LYS A 64 12.723 5.317 8.543 1.00 1.00 H new ATOM 0 HE2 LYS A 64 12.749 4.743 10.883 1.00 1.00 H new ATOM 0 HE3 LYS A 64 13.829 3.388 10.622 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 15.004 5.285 11.524 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 15.569 4.939 9.960 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 14.523 6.251 10.214 1.00 1.00 H new ATOM 965 N CYS A 65 8.738 2.361 9.657 1.00 1.00 N ATOM 966 CA CYS A 65 7.560 2.479 10.500 1.00 1.00 C ATOM 967 C CYS A 65 7.113 3.942 10.498 1.00 1.00 C ATOM 968 O CYS A 65 5.918 4.230 10.440 1.00 1.00 O ATOM 969 CB CYS A 65 7.823 1.964 11.916 1.00 1.00 C ATOM 970 SG CYS A 65 8.896 0.484 12.007 1.00 1.00 S ATOM 0 H CYS A 65 9.565 1.996 10.129 1.00 1.00 H new ATOM 0 HA CYS A 65 6.760 1.855 10.101 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.280 2.763 12.499 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.868 1.732 12.387 1.00 1.00 H new ATOM 975 N GLY A 66 8.096 4.828 10.563 1.00 1.00 N ATOM 976 CA GLY A 66 7.819 6.254 10.570 1.00 1.00 C ATOM 977 C GLY A 66 7.766 6.809 9.145 1.00 1.00 C ATOM 978 O GLY A 66 7.864 8.019 8.942 1.00 1.00 O ATOM 0 H GLY A 66 9.086 4.586 10.611 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.870 6.441 11.073 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.589 6.775 11.139 1.00 1.00 H new ATOM 982 N GLU A 67 7.611 5.899 8.195 1.00 1.00 N ATOM 983 CA GLU A 67 7.543 6.282 6.795 1.00 1.00 C ATOM 984 C GLU A 67 6.192 5.882 6.199 1.00 1.00 C ATOM 985 O GLU A 67 5.949 6.085 5.011 1.00 1.00 O ATOM 986 CB GLU A 67 8.697 5.666 6.002 1.00 1.00 C ATOM 987 CG GLU A 67 9.861 6.650 5.872 1.00 1.00 C ATOM 988 CD GLU A 67 10.943 6.102 4.939 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.818 4.972 4.442 1.00 1.00 O ATOM 990 OE2 GLU A 67 11.940 6.894 4.735 1.00 1.00 O ATOM 0 H GLU A 67 7.531 4.897 8.367 1.00 1.00 H new ATOM 0 HA GLU A 67 7.639 7.366 6.730 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.038 4.757 6.497 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.348 5.377 5.011 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.495 7.603 5.490 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.289 6.844 6.856 1.00 1.00 H new ATOM 998 N CYS A 68 5.349 5.319 7.052 1.00 1.00 N ATOM 999 CA CYS A 68 4.029 4.887 6.625 1.00 1.00 C ATOM 1000 C CYS A 68 3.012 5.343 7.673 1.00 1.00 C ATOM 1001 O CYS A 68 2.111 6.124 7.371 1.00 1.00 O ATOM 1002 CB CYS A 68 3.974 3.375 6.396 1.00 1.00 C ATOM 1003 SG CYS A 68 3.920 3.016 4.602 1.00 1.00 S ATOM 0 H CYS A 68 5.554 5.152 8.037 1.00 1.00 H new ATOM 0 HA CYS A 68 3.788 5.342 5.664 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.846 2.899 6.845 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.095 2.956 6.886 1.00 1.00 H new ATOM 1008 N HIS A 69 3.190 4.835 8.884 1.00 1.00 N ATOM 1009 CA HIS A 69 2.299 5.180 9.979 1.00 1.00 C ATOM 1010 C HIS A 69 2.569 6.618 10.426 1.00 1.00 C ATOM 1011 O HIS A 69 3.605 6.901 11.027 1.00 1.00 O ATOM 1012 CB HIS A 69 2.426 4.170 11.121 1.00 1.00 C ATOM 1013 CG HIS A 69 2.063 2.756 10.733 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.757 2.345 10.533 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.849 1.664 10.510 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.768 1.061 10.205 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.066 0.641 10.193 1.00 1.00 N ATOM 0 H HIS A 69 3.938 4.187 9.131 1.00 1.00 H new ATOM 0 HA HIS A 69 1.264 5.130 9.641 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.451 4.183 11.491 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.786 4.486 11.945 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.073 2.931 10.623 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.926 1.637 10.580 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.098 0.454 9.986 1.00 1.00 H new ATOM 1025 N LYS A 70 1.620 7.488 10.117 1.00 1.00 N ATOM 1026 CA LYS A 70 1.742 8.890 10.480 1.00 1.00 C ATOM 1027 C LYS A 70 0.345 9.491 10.652 1.00 1.00 C ATOM 1028 O LYS A 70 -0.428 9.557 9.697 1.00 1.00 O ATOM 1029 CB LYS A 70 2.611 9.633 9.463 1.00 1.00 C ATOM 1030 CG LYS A 70 2.582 11.142 9.716 1.00 1.00 C ATOM 1031 CD LYS A 70 2.826 11.920 8.422 1.00 1.00 C ATOM 1032 CE LYS A 70 4.322 12.141 8.188 1.00 1.00 C ATOM 1033 NZ LYS A 70 4.864 13.101 9.177 1.00 1.00 N ATOM 0 H LYS A 70 0.762 7.250 9.619 1.00 1.00 H new ATOM 0 HA LYS A 70 2.254 8.993 11.437 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.637 9.270 9.522 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.256 9.423 8.454 1.00 1.00 H new ATOM 0 HG2 LYS A 70 1.618 11.425 10.138 1.00 1.00 H new ATOM 0 HG3 LYS A 70 3.342 11.406 10.452 1.00 1.00 H new ATOM 0 HD2 LYS A 70 2.399 11.375 7.580 1.00 1.00 H new ATOM 0 HD3 LYS A 70 2.316 12.882 8.470 1.00 1.00 H new ATOM 0 HE2 LYS A 70 4.852 11.192 8.265 1.00 1.00 H new ATOM 0 HE3 LYS A 70 4.487 12.517 7.178 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 5.710 13.562 8.786 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.145 13.822 9.391 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.117 12.595 10.049 1.00 1.00 H new ATOM 1046 N LYS A 71 0.065 9.915 11.875 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.225 10.509 12.184 1.00 1.00 C ATOM 1048 C LYS A 71 -1.497 11.660 11.213 1.00 1.00 C ATOM 1049 O LYS A 71 -2.598 12.208 11.188 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.287 10.919 13.657 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.734 10.969 14.152 1.00 1.00 C ATOM 1052 CD LYS A 71 -3.066 12.343 14.737 1.00 1.00 C ATOM 1053 CE LYS A 71 -4.448 12.814 14.278 1.00 1.00 C ATOM 1054 NZ LYS A 71 -4.530 14.291 14.314 1.00 1.00 N ATOM 0 H LYS A 71 0.709 9.859 12.664 1.00 1.00 H new ATOM 0 HA LYS A 71 -2.023 9.780 12.046 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.717 10.212 14.259 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.821 11.896 13.786 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -3.412 10.747 13.328 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.890 10.200 14.909 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -3.037 12.296 15.826 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -2.310 13.066 14.429 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -4.643 12.458 13.267 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -5.217 12.385 14.921 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.474 14.594 14.000 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -4.365 14.624 15.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -3.809 14.694 13.682 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.859 -0.675 -4.028 1.00 1.00 C HETATM 1069 CHB HEM A 101 -8.995 0.005 -8.849 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.128 0.155 -8.981 1.00 1.00 C HETATM 1071 CHD HEM A 101 -3.993 -0.855 -4.160 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.304 -0.547 -5.339 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.684 -0.679 -5.744 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.725 -0.491 -7.080 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.372 -0.240 -7.516 1.00 1.00 C HETATM 1076 CMA HEM A 101 -11.925 -0.526 -7.982 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.827 -0.972 -4.817 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.452 0.271 -4.190 1.00 1.00 C HETATM 1079 CGA HEM A 101 -13.328 1.009 -5.194 1.00 1.00 C HETATM 1080 O1A HEM A 101 -12.754 1.799 -5.974 1.00 1.00 O HETATM 1081 O2A HEM A 101 -14.554 0.768 -5.162 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.682 0.154 -9.283 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.309 0.527 -10.627 1.00 1.00 C HETATM 1084 C3B HEM A 101 -5.960 0.570 -10.667 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.485 0.223 -9.348 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.275 0.807 -11.740 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.081 0.907 -11.835 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.618 2.035 -12.712 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.648 -0.159 -7.640 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.263 -0.334 -7.273 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.234 -0.610 -5.953 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.601 -0.608 -5.488 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.103 -0.222 -8.220 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.035 -0.876 -5.090 1.00 1.00 C HETATM 1095 CBC HEM A 101 0.243 -0.198 -5.578 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.312 -0.879 -3.718 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.705 -1.107 -2.347 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.053 -1.058 -2.307 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.508 -0.799 -3.653 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.754 -1.350 -1.211 1.00 1.00 C HETATM 1101 CAD HEM A 101 -7.949 -1.233 -1.116 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.629 -2.465 -0.274 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.075 -2.069 1.087 1.00 1.00 C HETATM 1104 O1D HEM A 101 -7.755 -1.269 1.765 1.00 1.00 O HETATM 1105 O2D HEM A 101 -5.983 -2.575 1.425 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.505 -0.277 -6.437 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.552 -0.031 -8.505 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.463 -0.329 -6.535 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.429 -0.690 -4.513 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.314 -0.377 -6.604 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -12.667 -1.212 -7.574 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -11.625 -0.864 -8.974 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.355 0.473 -8.054 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.179 0.215 -11.595 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -7.818 0.544 -12.694 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.532 1.866 -11.741 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.420 -0.519 -9.220 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.296 -0.875 -7.886 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.750 0.809 -8.242 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.190 -0.974 -0.285 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.815 -0.833 -1.406 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.566 -2.420 -1.116 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.056 2.359 -13.588 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.563 2.517 -12.462 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 1.173 -0.325 -5.024 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 0.225 0.413 -6.480 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -11.666 0.935 -3.831 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -13.048 -0.015 -3.324 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.477 -1.631 -4.022 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.596 -1.515 -5.366 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -6.905 -3.089 -0.797 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.530 -3.064 -0.143 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -8.982 -1.297 -1.458 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.876 -0.346 -0.486 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.601 -0.680 -3.243 1.00 1.00 H new HETATM 0 HHB HEM A 101 -9.780 0.083 -9.587 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.391 0.349 -9.746 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.216 -1.039 -3.433 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.142 0.392 -12.039 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.073 -1.497 -4.195 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.377 5.444 -2.579 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.136 3.615 0.563 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.800 -0.431 -2.128 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.196 1.337 -5.191 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.496 5.301 -1.512 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.225 6.332 -0.538 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.327 5.828 0.334 1.00 1.00 C HETATM 1118 C4A HEM A 102 3.033 4.480 -0.091 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.723 6.503 1.531 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.851 7.697 -0.536 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.889 8.364 -1.908 1.00 1.00 C HETATM 1122 CGA HEM A 102 4.228 9.734 -1.869 1.00 1.00 C HETATM 1123 O1A HEM A 102 3.378 9.979 -2.752 1.00 1.00 O HETATM 1124 O2A HEM A 102 4.586 10.511 -0.958 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.762 2.362 0.090 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.788 1.510 0.731 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.693 0.387 -0.013 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.607 0.533 -1.121 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.045 1.850 1.990 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.181 -0.809 0.228 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.597 -0.463 0.679 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.760 -0.334 -3.194 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.068 -1.372 -4.149 1.00 1.00 C HETATM 1134 C3C HEM A 102 3.998 -0.874 -4.990 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.276 0.477 -4.565 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.444 -2.737 -4.164 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.648 -1.558 -6.158 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.863 -2.751 -6.694 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.473 2.635 -4.773 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.252 3.584 -5.534 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.304 4.723 -4.813 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.558 4.492 -3.598 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.869 3.310 -6.874 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.992 6.010 -5.165 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.488 6.650 -6.456 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.606 6.769 -7.482 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.549 7.542 -7.206 1.00 1.00 O HETATM 1148 O2D HEM A 102 7.496 6.085 -8.522 1.00 1.00 O HETATM 1149 NA HEM A 102 3.757 4.166 -1.228 1.00 1.00 N HETATM 1150 NB HEM A 102 2.259 1.752 -1.049 1.00 1.00 N HETATM 1151 NC HEM A 102 3.509 0.800 -3.459 1.00 1.00 N HETATM 1152 ND HEM A 102 5.052 3.204 -3.584 1.00 1.00 N HETATM 1153 FE HEM A 102 3.776 2.477 -2.384 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.431 7.225 1.938 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.489 5.757 2.290 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.809 7.019 1.235 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.933 1.368 1.977 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.084 2.930 2.056 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.611 1.499 2.853 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.410 -3.110 -5.188 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.431 -2.679 -3.765 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.037 -3.415 -3.550 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.117 2.251 -6.951 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.776 3.904 -6.985 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 6.163 3.576 -7.661 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.314 -1.258 0.882 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.891 0.580 0.798 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.246 -3.319 -7.542 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 2.919 -3.035 -6.229 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.381 7.732 -2.637 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.923 8.465 -2.238 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.869 7.618 -0.153 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.300 8.337 0.153 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.081 7.638 -6.241 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.674 6.053 -6.868 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 8.062 5.825 -5.257 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.860 6.717 -4.346 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.963 6.350 -2.628 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.708 3.948 1.497 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.178 -1.313 -2.098 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.724 0.964 -6.056 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.165 -1.834 0.093 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.596 -1.231 -6.585 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.645 -2.212 10.289 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.411 -1.853 12.962 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.877 -0.264 9.074 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.638 -0.153 6.511 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.251 -2.229 11.353 1.00 1.00 C HETATM 1159 C2A HEM A 103 -0.105 -2.583 12.707 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.017 -2.484 13.451 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.079 -2.069 12.565 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.178 -2.746 14.920 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.480 -2.980 13.158 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.394 -1.800 13.477 1.00 1.00 C HETATM 1165 CGA HEM A 103 -3.023 -1.951 14.855 1.00 1.00 C HETATM 1166 O1A HEM A 103 -2.290 -2.387 15.769 1.00 1.00 O HETATM 1167 O2A HEM A 103 -4.225 -1.627 14.968 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.439 -1.476 12.104 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.841 -1.526 12.445 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.527 -1.086 11.369 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.557 -0.759 10.351 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.388 -1.989 13.764 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.014 -0.947 11.215 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.796 -2.207 11.576 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.896 -0.106 7.963 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.161 0.562 6.710 1.00 1.00 C HETATM 1177 C3C HEM A 103 3.993 0.620 6.036 1.00 1.00 C HETATM 1178 C4C HEM A 103 2.993 -0.012 6.864 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.503 1.080 6.280 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.736 1.217 4.683 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.663 0.697 3.589 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.671 -0.744 7.317 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.680 -1.023 6.891 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.316 -1.594 7.936 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.364 -1.674 9.019 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.232 -0.717 5.529 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.738 -2.069 8.005 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.086 -3.138 6.973 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.333 -2.756 6.189 1.00 1.00 C HETATM 1190 O1D HEM A 103 -4.448 -1.558 5.851 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.150 -3.670 5.942 1.00 1.00 O HETATM 1192 NA HEM A 103 1.596 -1.914 11.277 1.00 1.00 N HETATM 1193 NB HEM A 103 4.275 -1.002 10.814 1.00 1.00 N HETATM 1194 NC HEM A 103 3.559 -0.455 8.047 1.00 1.00 N HETATM 1195 ND HEM A 103 0.855 -1.149 8.628 1.00 1.00 N HETATM 1196 FE HEM A 103 2.619 -1.041 9.689 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.244 -2.521 15.434 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 1.972 -2.114 15.317 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.435 -3.794 15.077 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.667 -1.775 14.553 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.321 -1.467 13.974 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.574 -3.062 13.724 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.079 1.371 7.158 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.368 1.946 5.632 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.037 0.300 5.737 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -2.005 -1.443 5.278 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.431 -0.771 4.791 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.661 0.285 5.527 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 9.883 -2.214 11.499 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.267 -3.100 11.910 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.562 1.066 2.568 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.427 -0.043 3.828 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.177 -1.728 12.722 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.824 -0.872 13.434 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.393 -3.609 14.044 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.945 -3.587 12.381 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.245 -4.093 7.474 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -2.249 -3.273 6.288 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -3.402 -1.216 7.868 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.930 -2.465 9.002 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.623 -2.641 10.448 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.652 -1.989 14.006 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.902 0.021 8.886 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.328 0.224 5.548 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.492 -0.028 10.876 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.956 1.956 4.499 1.00 1.00 H new