USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 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= -5.05! C(o=-6.7!,f=-9.8!) USER MOD Set 1.2: A 103 HEM CMA :methyl 150:sc= -1.67 (180deg=-0.0568) USER MOD Single : A 1 ALA N :NH3+ 130:sc= 0.0469 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.642) USER MOD Single : A 9 LYS NZ :NH3+ 151:sc= -0.0471 (180deg=-0.536) 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 : amide:sc= -5.58! C(o=-5.6!,f=-11!) 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+ 155:sc= -0.0487 (180deg=-0.312) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= -0.296 (180deg=-0.538) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 HEM CMA :methyl -30:sc= -0.05 (180deg=-0.126) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.07 (180deg=-3.77!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -6.94! (180deg=-7.9!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -1.21 (180deg=-1.21) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.136 (180deg=-0.136) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -7.21! (180deg=-7.21!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -11.8! (180deg=-11.8!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -1.82 (180deg=-5.85!) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.253 (180deg=-1.62) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.11! (180deg=-5.73!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -1.71 (180deg=-1.71) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.971 10.024 -3.783 1.00 1.00 N ATOM 2 CA ALA A 1 -11.554 10.265 -3.573 1.00 1.00 C ATOM 3 C ALA A 1 -10.789 8.949 -3.727 1.00 1.00 C ATOM 4 O ALA A 1 -11.292 7.888 -3.362 1.00 1.00 O ATOM 5 CB ALA A 1 -11.343 10.905 -2.200 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.514 10.442 -3.000 1.00 1.00 H new ATOM 0 H2 ALA A 1 -13.268 10.458 -4.680 1.00 1.00 H new ATOM 0 H3 ALA A 1 -13.147 9.000 -3.819 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.168 10.960 -4.319 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -10.280 11.086 -2.042 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -11.883 11.851 -2.153 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.716 10.235 -1.425 1.00 1.00 H new ATOM 11 N ASP A 2 -9.584 9.062 -4.268 1.00 1.00 N ATOM 12 CA ASP A 2 -8.745 7.894 -4.474 1.00 1.00 C ATOM 13 C ASP A 2 -8.087 7.503 -3.149 1.00 1.00 C ATOM 14 O ASP A 2 -7.925 6.319 -2.858 1.00 1.00 O ATOM 15 CB ASP A 2 -7.634 8.186 -5.485 1.00 1.00 C ATOM 16 CG ASP A 2 -7.598 7.251 -6.695 1.00 1.00 C ATOM 17 OD1 ASP A 2 -7.455 6.027 -6.552 1.00 1.00 O ATOM 18 OD2 ASP A 2 -7.726 7.834 -7.838 1.00 1.00 O ATOM 0 H ASP A 2 -9.170 9.944 -4.569 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.375 7.089 -4.852 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -7.747 9.210 -5.840 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -6.673 8.130 -4.973 1.00 1.00 H new ATOM 24 N ASP A 3 -7.727 8.521 -2.381 1.00 1.00 N ATOM 25 CA ASP A 3 -7.091 8.298 -1.094 1.00 1.00 C ATOM 26 C ASP A 3 -7.821 7.174 -0.357 1.00 1.00 C ATOM 27 O ASP A 3 -9.028 7.255 -0.132 1.00 1.00 O ATOM 28 CB ASP A 3 -7.156 9.554 -0.223 1.00 1.00 C ATOM 29 CG ASP A 3 -6.709 9.360 1.227 1.00 1.00 C ATOM 30 OD1 ASP A 3 -7.442 9.689 2.172 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.538 8.839 1.372 1.00 1.00 O ATOM 0 H ASP A 3 -7.864 9.502 -2.625 1.00 1.00 H new ATOM 0 HA ASP A 3 -6.048 8.037 -1.274 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.536 10.326 -0.678 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -8.180 9.926 -0.225 1.00 1.00 H new ATOM 37 N ILE A 4 -7.059 6.150 0.000 1.00 1.00 N ATOM 38 CA ILE A 4 -7.618 5.011 0.707 1.00 1.00 C ATOM 39 C ILE A 4 -6.914 4.858 2.056 1.00 1.00 C ATOM 40 O ILE A 4 -5.857 4.233 2.142 1.00 1.00 O ATOM 41 CB ILE A 4 -7.556 3.756 -0.166 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.758 3.682 -1.108 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.423 2.497 0.694 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.684 2.439 -1.997 1.00 1.00 C ATOM 0 H ILE A 4 -6.058 6.086 -0.188 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.675 5.173 0.916 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.664 3.817 -0.789 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.680 3.663 -0.526 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.792 4.576 -1.730 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.381 1.619 0.050 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.510 2.556 1.287 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.283 2.418 1.359 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.551 2.411 -2.657 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.774 2.473 -2.595 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.675 1.545 -1.373 1.00 1.00 H new ATOM 56 N VAL A 5 -7.527 5.438 3.077 1.00 1.00 N ATOM 57 CA VAL A 5 -6.972 5.374 4.418 1.00 1.00 C ATOM 58 C VAL A 5 -7.246 3.991 5.013 1.00 1.00 C ATOM 59 O VAL A 5 -8.388 3.536 5.035 1.00 1.00 O ATOM 60 CB VAL A 5 -7.532 6.513 5.272 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.718 6.688 6.556 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.588 7.818 4.476 1.00 1.00 C ATOM 0 H VAL A 5 -8.403 5.955 3.002 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.891 5.508 4.390 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.551 6.249 5.555 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.138 7.504 7.144 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.753 5.767 7.137 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.683 6.918 6.302 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.990 8.612 5.106 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.584 8.088 4.149 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.230 7.686 3.605 1.00 1.00 H new ATOM 72 N LEU A 6 -6.178 3.361 5.482 1.00 1.00 N ATOM 73 CA LEU A 6 -6.289 2.040 6.075 1.00 1.00 C ATOM 74 C LEU A 6 -6.417 2.176 7.594 1.00 1.00 C ATOM 75 O LEU A 6 -5.945 3.153 8.175 1.00 1.00 O ATOM 76 CB LEU A 6 -5.122 1.155 5.634 1.00 1.00 C ATOM 77 CG LEU A 6 -5.061 0.819 4.142 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.660 0.350 3.743 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.136 -0.201 3.765 1.00 1.00 C ATOM 0 H LEU A 6 -5.232 3.742 5.463 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.190 1.539 5.722 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.191 1.649 5.913 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.168 0.221 6.195 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.269 1.728 3.578 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.644 0.118 2.678 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.938 1.139 3.953 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.399 -0.542 4.313 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.070 -0.422 2.700 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -5.984 -1.117 4.336 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.121 0.208 3.991 1.00 1.00 H new ATOM 91 N LYS A 7 -7.058 1.184 8.193 1.00 1.00 N ATOM 92 CA LYS A 7 -7.254 1.181 9.633 1.00 1.00 C ATOM 93 C LYS A 7 -5.977 0.690 10.316 1.00 1.00 C ATOM 94 O LYS A 7 -5.538 -0.436 10.085 1.00 1.00 O ATOM 95 CB LYS A 7 -8.499 0.372 10.002 1.00 1.00 C ATOM 96 CG LYS A 7 -9.724 0.868 9.231 1.00 1.00 C ATOM 97 CD LYS A 7 -10.912 1.087 10.170 1.00 1.00 C ATOM 98 CE LYS A 7 -11.091 2.572 10.491 1.00 1.00 C ATOM 99 NZ LYS A 7 -9.890 3.104 11.172 1.00 1.00 N ATOM 0 H LYS A 7 -7.449 0.376 7.708 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.440 2.192 9.994 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.330 -0.682 9.783 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.683 0.450 11.073 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.483 1.800 8.720 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.992 0.143 8.462 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.820 0.699 9.709 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.758 0.528 11.093 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -11.272 3.129 9.572 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -11.967 2.710 11.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -10.154 3.931 11.745 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -9.487 2.370 11.788 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -9.184 3.386 10.462 1.00 1.00 H new ATOM 112 N ALA A 8 -5.416 1.558 11.145 1.00 1.00 N ATOM 113 CA ALA A 8 -4.197 1.227 11.864 1.00 1.00 C ATOM 114 C ALA A 8 -4.049 2.162 13.066 1.00 1.00 C ATOM 115 O ALA A 8 -3.756 3.346 12.903 1.00 1.00 O ATOM 116 CB ALA A 8 -3.003 1.309 10.910 1.00 1.00 C ATOM 0 H ALA A 8 -5.783 2.490 11.335 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.241 0.206 12.244 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.089 1.061 11.449 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.143 0.605 10.090 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.925 2.320 10.510 1.00 1.00 H new ATOM 122 N LYS A 9 -4.258 1.596 14.245 1.00 1.00 N ATOM 123 CA LYS A 9 -4.151 2.364 15.474 1.00 1.00 C ATOM 124 C LYS A 9 -2.687 2.744 15.706 1.00 1.00 C ATOM 125 O LYS A 9 -2.383 3.549 16.586 1.00 1.00 O ATOM 126 CB LYS A 9 -4.780 1.600 16.640 1.00 1.00 C ATOM 127 CG LYS A 9 -6.227 2.043 16.868 1.00 1.00 C ATOM 128 CD LYS A 9 -6.283 3.332 17.690 1.00 1.00 C ATOM 129 CE LYS A 9 -6.661 4.526 16.811 1.00 1.00 C ATOM 130 NZ LYS A 9 -5.525 5.468 16.700 1.00 1.00 N ATOM 0 H LYS A 9 -4.501 0.614 14.376 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.714 3.294 15.393 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.751 0.530 16.436 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -4.197 1.768 17.546 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.719 2.198 15.908 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.775 1.255 17.384 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -7.010 3.223 18.495 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -5.315 3.512 18.158 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -6.951 4.178 15.820 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -7.525 5.038 17.234 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -5.575 5.966 15.788 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -5.570 6.160 17.475 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -4.630 4.941 16.758 1.00 1.00 H new ATOM 143 N ASN A 10 -1.819 2.147 14.903 1.00 1.00 N ATOM 144 CA ASN A 10 -0.394 2.414 15.011 1.00 1.00 C ATOM 145 C ASN A 10 -0.025 3.572 14.083 1.00 1.00 C ATOM 146 O ASN A 10 1.148 3.920 13.954 1.00 1.00 O ATOM 147 CB ASN A 10 0.427 1.192 14.593 1.00 1.00 C ATOM 148 CG ASN A 10 0.189 0.019 15.545 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.849 -0.622 15.534 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.206 -0.226 16.367 1.00 1.00 N ATOM 0 H ASN A 10 -2.074 1.480 14.175 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.174 2.659 16.050 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.160 0.900 13.577 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.487 1.448 14.583 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.145 -0.989 17.041 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.047 0.350 16.324 1.00 1.00 H new ATOM 157 N GLY A 11 -1.048 4.139 13.460 1.00 1.00 N ATOM 158 CA GLY A 11 -0.845 5.251 12.547 1.00 1.00 C ATOM 159 C GLY A 11 -1.392 4.926 11.156 1.00 1.00 C ATOM 160 O GLY A 11 -0.844 4.078 10.452 1.00 1.00 O ATOM 0 H GLY A 11 -2.020 3.849 13.570 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.339 6.141 12.937 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.218 5.481 12.479 1.00 1.00 H new ATOM 164 N ASP A 12 -2.466 5.616 10.800 1.00 1.00 N ATOM 165 CA ASP A 12 -3.092 5.411 9.506 1.00 1.00 C ATOM 166 C ASP A 12 -2.016 5.406 8.418 1.00 1.00 C ATOM 167 O ASP A 12 -0.942 5.977 8.600 1.00 1.00 O ATOM 168 CB ASP A 12 -4.080 6.535 9.188 1.00 1.00 C ATOM 169 CG ASP A 12 -5.556 6.161 9.342 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.893 5.015 9.675 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.388 7.117 9.101 1.00 1.00 O ATOM 0 H ASP A 12 -2.918 6.318 11.386 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.624 4.460 9.536 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.865 7.382 9.839 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.910 6.869 8.164 1.00 1.00 H new ATOM 177 N VAL A 13 -2.342 4.754 7.311 1.00 1.00 N ATOM 178 CA VAL A 13 -1.416 4.668 6.194 1.00 1.00 C ATOM 179 C VAL A 13 -2.084 5.235 4.939 1.00 1.00 C ATOM 180 O VAL A 13 -2.668 4.491 4.153 1.00 1.00 O ATOM 181 CB VAL A 13 -0.942 3.224 6.019 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.156 3.133 4.958 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.469 2.636 7.350 1.00 1.00 C ATOM 0 H VAL A 13 -3.234 4.281 7.164 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.526 5.267 6.387 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.790 2.632 5.675 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.475 2.096 4.853 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.229 3.492 4.004 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.006 3.746 5.260 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.138 1.609 7.197 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.359 3.230 7.737 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.291 2.649 8.066 1.00 1.00 H new ATOM 193 N LYS A 14 -1.974 6.547 4.791 1.00 1.00 N ATOM 194 CA LYS A 14 -2.559 7.222 3.645 1.00 1.00 C ATOM 195 C LYS A 14 -1.893 6.714 2.365 1.00 1.00 C ATOM 196 O LYS A 14 -0.744 7.050 2.084 1.00 1.00 O ATOM 197 CB LYS A 14 -2.480 8.740 3.820 1.00 1.00 C ATOM 198 CG LYS A 14 -2.800 9.460 2.508 1.00 1.00 C ATOM 199 CD LYS A 14 -1.783 10.569 2.229 1.00 1.00 C ATOM 200 CE LYS A 14 -0.830 10.167 1.102 1.00 1.00 C ATOM 201 NZ LYS A 14 -0.913 11.133 -0.016 1.00 1.00 N ATOM 0 H LYS A 14 -1.489 7.160 5.446 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.621 6.989 3.566 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.179 9.058 4.593 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.482 9.019 4.158 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.797 8.744 1.686 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.803 9.885 2.557 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.305 11.487 1.959 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.213 10.781 3.134 1.00 1.00 H new ATOM 0 HE2 LYS A 14 0.192 10.125 1.479 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -1.079 9.167 0.746 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -0.260 10.845 -0.773 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -1.885 11.153 -0.386 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -0.653 12.081 0.324 1.00 1.00 H new ATOM 214 N LEU A 15 -2.644 5.914 1.622 1.00 1.00 N ATOM 215 CA LEU A 15 -2.141 5.357 0.379 1.00 1.00 C ATOM 216 C LEU A 15 -2.744 6.124 -0.800 1.00 1.00 C ATOM 217 O LEU A 15 -3.953 6.138 -1.019 1.00 1.00 O ATOM 218 CB LEU A 15 -2.395 3.849 0.325 1.00 1.00 C ATOM 219 CG LEU A 15 -2.404 3.219 -1.069 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.034 2.635 -1.417 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.519 2.178 -1.193 1.00 1.00 C ATOM 0 H LEU A 15 -3.597 5.639 1.858 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.059 5.477 0.319 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.631 3.351 0.922 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.355 3.645 0.800 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.613 4.004 -1.796 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.069 2.194 -2.413 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.285 3.427 -1.397 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.770 1.868 -0.689 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.503 1.745 -2.193 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.366 1.391 -0.455 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.483 2.655 -1.019 1.00 1.00 H new ATOM 233 N PRO A 16 -1.861 6.771 -1.564 1.00 1.00 N ATOM 234 CA PRO A 16 -2.210 7.556 -2.728 1.00 1.00 C ATOM 235 C PRO A 16 -2.597 6.629 -3.871 1.00 1.00 C ATOM 236 O PRO A 16 -1.877 6.581 -4.867 1.00 1.00 O ATOM 237 CB PRO A 16 -0.944 8.341 -3.065 1.00 1.00 C ATOM 238 CG PRO A 16 0.163 7.445 -2.572 1.00 1.00 C ATOM 239 CD PRO A 16 -0.432 6.776 -1.335 1.00 1.00 C ATOM 0 HA PRO A 16 -3.058 8.219 -2.554 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.861 8.530 -4.135 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.928 9.311 -2.568 1.00 1.00 H new ATOM 0 HG2 PRO A 16 0.449 6.711 -3.325 1.00 1.00 H new ATOM 0 HG3 PRO A 16 1.059 8.015 -2.326 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -0.048 5.763 -1.211 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.179 7.326 -0.429 1.00 1.00 H new ATOM 247 N HIS A 17 -3.706 5.921 -3.712 1.00 1.00 N ATOM 248 CA HIS A 17 -4.163 5.005 -4.743 1.00 1.00 C ATOM 249 C HIS A 17 -3.934 5.628 -6.122 1.00 1.00 C ATOM 250 O HIS A 17 -3.283 5.029 -6.976 1.00 1.00 O ATOM 251 CB HIS A 17 -5.622 4.607 -4.508 1.00 1.00 C ATOM 252 CG HIS A 17 -6.084 3.442 -5.350 1.00 1.00 C ATOM 253 ND1 HIS A 17 -6.917 3.591 -6.445 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.820 2.108 -5.246 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.139 2.394 -6.968 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.458 1.476 -6.223 1.00 1.00 N ATOM 0 H HIS A 17 -4.301 5.963 -2.885 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.583 4.083 -4.698 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.755 4.356 -3.455 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.260 5.466 -4.714 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.296 4.473 -6.791 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.197 1.644 -4.495 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -7.751 2.182 -7.832 1.00 1.00 H new ATOM 264 N LYS A 18 -4.480 6.822 -6.295 1.00 1.00 N ATOM 265 CA LYS A 18 -4.343 7.532 -7.555 1.00 1.00 C ATOM 266 C LYS A 18 -2.885 7.469 -8.015 1.00 1.00 C ATOM 267 O LYS A 18 -2.588 6.915 -9.072 1.00 1.00 O ATOM 268 CB LYS A 18 -4.887 8.957 -7.429 1.00 1.00 C ATOM 269 CG LYS A 18 -4.712 9.728 -8.738 1.00 1.00 C ATOM 270 CD LYS A 18 -4.608 11.233 -8.479 1.00 1.00 C ATOM 271 CE LYS A 18 -5.206 12.032 -9.638 1.00 1.00 C ATOM 272 NZ LYS A 18 -4.248 13.056 -10.111 1.00 1.00 N ATOM 0 H LYS A 18 -5.018 7.316 -5.583 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.943 7.054 -8.329 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.943 8.925 -7.160 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.369 9.478 -6.624 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -3.815 9.381 -9.251 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -5.555 9.527 -9.398 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -5.128 11.483 -7.554 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -3.563 11.511 -8.342 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -5.462 11.360 -10.457 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -6.131 12.511 -9.318 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -4.670 13.589 -10.898 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -4.024 13.708 -9.332 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.376 12.592 -10.436 1.00 1.00 H new ATOM 285 N ALA A 19 -2.015 8.044 -7.198 1.00 1.00 N ATOM 286 CA ALA A 19 -0.595 8.059 -7.508 1.00 1.00 C ATOM 287 C ALA A 19 -0.133 6.638 -7.835 1.00 1.00 C ATOM 288 O ALA A 19 0.522 6.413 -8.852 1.00 1.00 O ATOM 289 CB ALA A 19 0.177 8.668 -6.335 1.00 1.00 C ATOM 0 H ALA A 19 -2.265 8.503 -6.322 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.400 8.678 -8.384 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.242 8.679 -6.567 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.168 9.688 -6.163 1.00 1.00 H new ATOM 0 HB3 ALA A 19 0.007 8.071 -5.439 1.00 1.00 H new ATOM 295 N HIS A 20 -0.493 5.715 -6.955 1.00 1.00 N ATOM 296 CA HIS A 20 -0.124 4.322 -7.138 1.00 1.00 C ATOM 297 C HIS A 20 -0.777 3.781 -8.411 1.00 1.00 C ATOM 298 O HIS A 20 -0.327 2.781 -8.967 1.00 1.00 O ATOM 299 CB HIS A 20 -0.474 3.500 -5.896 1.00 1.00 C ATOM 300 CG HIS A 20 0.531 3.623 -4.775 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.462 4.614 -3.812 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.627 2.869 -4.475 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.476 4.455 -2.974 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.198 3.373 -3.387 1.00 1.00 N ATOM 0 H HIS A 20 -1.037 5.905 -6.113 1.00 1.00 H new ATOM 0 HA HIS A 20 0.956 4.241 -7.263 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.452 3.813 -5.530 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.560 2.451 -6.179 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.249 5.343 -3.757 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.972 2.008 -5.028 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.693 5.073 -2.115 1.00 1.00 H new ATOM 312 N GLN A 21 -1.830 4.465 -8.835 1.00 1.00 N ATOM 313 CA GLN A 21 -2.550 4.066 -10.031 1.00 1.00 C ATOM 314 C GLN A 21 -1.840 4.595 -11.280 1.00 1.00 C ATOM 315 O GLN A 21 -2.059 4.094 -12.382 1.00 1.00 O ATOM 316 CB GLN A 21 -4.002 4.544 -9.983 1.00 1.00 C ATOM 317 CG GLN A 21 -4.917 3.463 -9.404 1.00 1.00 C ATOM 318 CD GLN A 21 -6.346 3.983 -9.241 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.613 4.923 -8.510 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.248 3.322 -9.961 1.00 1.00 N ATOM 0 H GLN A 21 -2.201 5.294 -8.370 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.562 2.977 -10.077 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.071 5.447 -9.377 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.335 4.808 -10.987 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.916 2.592 -10.059 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.533 3.136 -8.438 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -6.957 2.544 -10.553 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.230 3.593 -9.921 1.00 1.00 H new ATOM 329 N LYS A 22 -1.004 5.600 -11.065 1.00 1.00 N ATOM 330 CA LYS A 22 -0.261 6.202 -12.158 1.00 1.00 C ATOM 331 C LYS A 22 1.192 5.727 -12.104 1.00 1.00 C ATOM 332 O LYS A 22 1.832 5.553 -13.141 1.00 1.00 O ATOM 333 CB LYS A 22 -0.411 7.724 -12.134 1.00 1.00 C ATOM 334 CG LYS A 22 -1.221 8.214 -13.337 1.00 1.00 C ATOM 335 CD LYS A 22 -1.515 9.712 -13.226 1.00 1.00 C ATOM 336 CE LYS A 22 -2.569 10.140 -14.250 1.00 1.00 C ATOM 337 NZ LYS A 22 -2.302 11.517 -14.723 1.00 1.00 N ATOM 0 H LYS A 22 -0.825 6.012 -10.149 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.667 5.880 -13.117 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -0.903 8.030 -11.211 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.574 8.190 -12.140 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -0.670 8.015 -14.256 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -2.157 7.660 -13.400 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -1.864 9.944 -12.220 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -0.598 10.279 -13.384 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -2.564 9.451 -15.095 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -3.562 10.089 -13.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -3.026 11.792 -15.417 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.329 12.173 -13.916 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -1.363 11.555 -15.169 1.00 1.00 H new ATOM 350 N ALA A 23 1.672 5.530 -10.885 1.00 1.00 N ATOM 351 CA ALA A 23 3.038 5.079 -10.682 1.00 1.00 C ATOM 352 C ALA A 23 3.153 3.612 -11.100 1.00 1.00 C ATOM 353 O ALA A 23 4.166 3.201 -11.665 1.00 1.00 O ATOM 354 CB ALA A 23 3.438 5.302 -9.222 1.00 1.00 C ATOM 0 H ALA A 23 1.139 5.675 -10.028 1.00 1.00 H new ATOM 0 HA ALA A 23 3.728 5.654 -11.300 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.463 4.964 -9.070 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.367 6.363 -8.983 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.769 4.738 -8.571 1.00 1.00 H new ATOM 360 N VAL A 24 2.101 2.862 -10.807 1.00 1.00 N ATOM 361 CA VAL A 24 2.072 1.449 -11.145 1.00 1.00 C ATOM 362 C VAL A 24 1.044 1.216 -12.255 1.00 1.00 C ATOM 363 O VAL A 24 -0.151 1.062 -12.016 1.00 1.00 O ATOM 364 CB VAL A 24 1.796 0.616 -9.892 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.426 -0.822 -10.259 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.993 0.648 -8.939 1.00 1.00 C ATOM 0 H VAL A 24 1.262 3.206 -10.339 1.00 1.00 H new ATOM 0 HA VAL A 24 3.042 1.128 -11.526 1.00 1.00 H new ATOM 0 HB VAL A 24 0.944 1.059 -9.376 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.235 -1.392 -9.350 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.531 -0.820 -10.881 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.248 -1.280 -10.808 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.771 0.048 -8.056 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.870 0.242 -9.443 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.191 1.677 -8.638 1.00 1.00 H new ATOM 376 N PRO A 25 1.545 1.195 -13.492 1.00 1.00 N ATOM 377 CA PRO A 25 0.757 0.989 -14.688 1.00 1.00 C ATOM 378 C PRO A 25 0.432 -0.491 -14.836 1.00 1.00 C ATOM 379 O PRO A 25 0.619 -1.034 -15.924 1.00 1.00 O ATOM 380 CB PRO A 25 1.647 1.471 -15.832 1.00 1.00 C ATOM 381 CG PRO A 25 3.020 1.280 -15.332 1.00 1.00 C ATOM 382 CD PRO A 25 2.946 1.373 -13.809 1.00 1.00 C ATOM 0 HA PRO A 25 -0.193 1.523 -14.668 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.472 0.896 -16.741 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.453 2.516 -16.073 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.414 0.312 -15.642 1.00 1.00 H new ATOM 0 HG3 PRO A 25 3.689 2.041 -15.735 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.559 0.605 -13.336 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.312 2.336 -13.454 1.00 1.00 H new ATOM 390 N ASP A 26 -0.039 -1.106 -13.762 1.00 1.00 N ATOM 391 CA ASP A 26 -0.379 -2.518 -13.796 1.00 1.00 C ATOM 392 C ASP A 26 -1.289 -2.848 -12.611 1.00 1.00 C ATOM 393 O ASP A 26 -0.815 -3.289 -11.565 1.00 1.00 O ATOM 394 CB ASP A 26 0.874 -3.389 -13.688 1.00 1.00 C ATOM 395 CG ASP A 26 2.124 -2.810 -14.353 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.995 -2.235 -13.683 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.185 -2.969 -15.631 1.00 1.00 O ATOM 0 H ASP A 26 -0.193 -0.652 -12.862 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.879 -2.722 -14.743 1.00 1.00 H new ATOM 0 HB2 ASP A 26 1.089 -3.561 -12.633 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.662 -4.361 -14.133 1.00 1.00 H new ATOM 403 N CYS A 27 -2.578 -2.623 -12.815 1.00 1.00 N ATOM 404 CA CYS A 27 -3.558 -2.891 -11.776 1.00 1.00 C ATOM 405 C CYS A 27 -3.689 -4.407 -11.619 1.00 1.00 C ATOM 406 O CYS A 27 -4.759 -4.969 -11.851 1.00 1.00 O ATOM 407 CB CYS A 27 -4.904 -2.231 -12.084 1.00 1.00 C ATOM 408 SG CYS A 27 -4.793 -0.668 -13.030 1.00 1.00 S ATOM 0 H CYS A 27 -2.967 -2.258 -13.684 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.222 -2.457 -10.835 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.519 -2.936 -12.644 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.420 -2.035 -11.144 1.00 1.00 H new ATOM 413 N LYS A 28 -2.586 -5.027 -11.227 1.00 1.00 N ATOM 414 CA LYS A 28 -2.564 -6.467 -11.036 1.00 1.00 C ATOM 415 C LYS A 28 -1.590 -6.813 -9.908 1.00 1.00 C ATOM 416 O LYS A 28 -1.927 -7.577 -9.005 1.00 1.00 O ATOM 417 CB LYS A 28 -2.254 -7.178 -12.355 1.00 1.00 C ATOM 418 CG LYS A 28 -0.968 -6.635 -12.981 1.00 1.00 C ATOM 419 CD LYS A 28 -0.664 -7.337 -14.306 1.00 1.00 C ATOM 420 CE LYS A 28 -1.580 -6.828 -15.420 1.00 1.00 C ATOM 421 NZ LYS A 28 -1.885 -7.914 -16.378 1.00 1.00 N ATOM 0 H LYS A 28 -1.700 -4.558 -11.036 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.547 -6.825 -10.730 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -2.153 -8.249 -12.180 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.085 -7.045 -13.048 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.065 -5.562 -13.148 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.136 -6.776 -12.291 1.00 1.00 H new ATOM 0 HD2 LYS A 28 0.377 -7.167 -14.581 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -0.792 -8.413 -14.189 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -2.505 -6.443 -14.991 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -1.102 -5.999 -15.942 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -2.508 -7.551 -17.128 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 -1.001 -8.262 -16.801 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -2.361 -8.693 -15.880 1.00 1.00 H new ATOM 434 N LYS A 29 -0.402 -6.234 -9.997 1.00 1.00 N ATOM 435 CA LYS A 29 0.623 -6.471 -8.994 1.00 1.00 C ATOM 436 C LYS A 29 0.075 -6.106 -7.614 1.00 1.00 C ATOM 437 O LYS A 29 0.613 -6.534 -6.594 1.00 1.00 O ATOM 438 CB LYS A 29 1.912 -5.732 -9.360 1.00 1.00 C ATOM 439 CG LYS A 29 2.871 -5.680 -8.169 1.00 1.00 C ATOM 440 CD LYS A 29 3.454 -7.064 -7.874 1.00 1.00 C ATOM 441 CE LYS A 29 4.969 -6.989 -7.672 1.00 1.00 C ATOM 442 NZ LYS A 29 5.287 -6.633 -6.271 1.00 1.00 N ATOM 0 H LYS A 29 -0.126 -5.601 -10.748 1.00 1.00 H new ATOM 0 HA LYS A 29 0.887 -7.528 -8.962 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.396 -6.231 -10.200 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.675 -4.719 -9.685 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.678 -4.978 -8.378 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.345 -5.308 -7.290 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.985 -7.478 -6.981 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.226 -7.741 -8.697 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.423 -7.948 -7.922 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.396 -6.248 -8.348 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.319 -6.586 -6.150 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 4.870 -5.708 -6.045 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 4.896 -7.355 -5.632 1.00 1.00 H new ATOM 455 N CYS A 30 -0.990 -5.317 -7.625 1.00 1.00 N ATOM 456 CA CYS A 30 -1.617 -4.889 -6.386 1.00 1.00 C ATOM 457 C CYS A 30 -2.965 -5.601 -6.259 1.00 1.00 C ATOM 458 O CYS A 30 -3.403 -5.917 -5.154 1.00 1.00 O ATOM 459 CB CYS A 30 -1.767 -3.368 -6.325 1.00 1.00 C ATOM 460 SG CYS A 30 -0.529 -2.662 -5.177 1.00 1.00 S ATOM 0 H CYS A 30 -1.434 -4.963 -8.472 1.00 1.00 H new ATOM 0 HA CYS A 30 -0.983 -5.160 -5.542 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.637 -2.941 -7.320 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.772 -3.106 -5.994 1.00 1.00 H new ATOM 465 N HIS A 31 -3.586 -5.833 -7.406 1.00 1.00 N ATOM 466 CA HIS A 31 -4.876 -6.502 -7.437 1.00 1.00 C ATOM 467 C HIS A 31 -4.716 -7.896 -8.049 1.00 1.00 C ATOM 468 O HIS A 31 -4.413 -8.027 -9.233 1.00 1.00 O ATOM 469 CB HIS A 31 -5.913 -5.649 -8.170 1.00 1.00 C ATOM 470 CG HIS A 31 -6.300 -4.387 -7.435 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.064 -4.396 -6.281 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.019 -3.079 -7.701 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.230 -3.144 -5.880 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.582 -2.330 -6.762 1.00 1.00 N ATOM 0 H HIS A 31 -3.220 -5.570 -8.321 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.248 -6.629 -6.420 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.520 -5.380 -9.151 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.808 -6.248 -8.339 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.436 -5.225 -5.818 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.437 -2.715 -8.535 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.781 -2.824 -5.008 1.00 1.00 H new ATOM 482 N GLU A 32 -4.928 -8.901 -7.212 1.00 1.00 N ATOM 483 CA GLU A 32 -4.812 -10.280 -7.655 1.00 1.00 C ATOM 484 C GLU A 32 -6.067 -10.698 -8.425 1.00 1.00 C ATOM 485 O GLU A 32 -6.209 -10.383 -9.605 1.00 1.00 O ATOM 486 CB GLU A 32 -4.556 -11.217 -6.473 1.00 1.00 C ATOM 487 CG GLU A 32 -3.091 -11.161 -6.036 1.00 1.00 C ATOM 488 CD GLU A 32 -2.898 -10.167 -4.889 1.00 1.00 C ATOM 489 OE1 GLU A 32 -3.188 -10.495 -3.729 1.00 1.00 O ATOM 490 OE2 GLU A 32 -2.429 -9.017 -5.237 1.00 1.00 O ATOM 0 H GLU A 32 -5.179 -8.788 -6.230 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.956 -10.354 -8.326 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.199 -10.939 -5.638 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -4.818 -12.238 -6.751 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.763 -12.152 -5.722 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.467 -10.872 -6.881 1.00 1.00 H new ATOM 498 N LYS A 33 -6.944 -11.402 -7.725 1.00 1.00 N ATOM 499 CA LYS A 33 -8.182 -11.867 -8.327 1.00 1.00 C ATOM 500 C LYS A 33 -8.739 -10.776 -9.244 1.00 1.00 C ATOM 501 O LYS A 33 -9.407 -11.073 -10.233 1.00 1.00 O ATOM 502 CB LYS A 33 -9.165 -12.323 -7.247 1.00 1.00 C ATOM 503 CG LYS A 33 -8.733 -13.660 -6.642 1.00 1.00 C ATOM 504 CD LYS A 33 -8.033 -13.454 -5.298 1.00 1.00 C ATOM 505 CE LYS A 33 -8.936 -13.877 -4.138 1.00 1.00 C ATOM 506 NZ LYS A 33 -9.156 -15.340 -4.159 1.00 1.00 N ATOM 0 H LYS A 33 -6.822 -11.662 -6.746 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.998 -12.743 -8.948 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.226 -11.568 -6.463 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.163 -12.419 -7.675 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.605 -14.301 -6.507 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.062 -14.175 -7.330 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -7.109 -14.031 -5.273 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -7.757 -12.406 -5.185 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -8.482 -13.585 -3.191 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -9.892 -13.359 -4.206 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -9.385 -15.670 -3.200 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -9.944 -15.563 -4.799 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -8.294 -15.816 -4.493 1.00 1.00 H new ATOM 519 N GLY A 34 -8.443 -9.536 -8.882 1.00 1.00 N ATOM 520 CA GLY A 34 -8.906 -8.399 -9.660 1.00 1.00 C ATOM 521 C GLY A 34 -8.969 -7.135 -8.800 1.00 1.00 C ATOM 522 O GLY A 34 -8.675 -7.143 -7.607 1.00 1.00 O ATOM 0 H GLY A 34 -7.889 -9.294 -8.061 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.237 -8.235 -10.505 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.893 -8.613 -10.071 1.00 1.00 H new ATOM 526 N PRO A 35 -9.366 -6.035 -9.443 1.00 1.00 N ATOM 527 CA PRO A 35 -9.499 -4.733 -8.825 1.00 1.00 C ATOM 528 C PRO A 35 -10.563 -4.790 -7.738 1.00 1.00 C ATOM 529 O PRO A 35 -11.687 -5.197 -8.028 1.00 1.00 O ATOM 530 CB PRO A 35 -9.925 -3.803 -9.960 1.00 1.00 C ATOM 531 CG PRO A 35 -9.489 -4.541 -11.264 1.00 1.00 C ATOM 532 CD PRO A 35 -9.720 -5.990 -10.845 1.00 1.00 C ATOM 0 HA PRO A 35 -8.578 -4.392 -8.351 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -11.001 -3.628 -9.945 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.442 -2.829 -9.876 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -10.093 -4.256 -12.125 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -8.449 -4.344 -11.525 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.758 -6.285 -11.000 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -9.104 -6.673 -11.430 1.00 1.00 H new ATOM 540 N GLY A 36 -10.198 -4.389 -6.529 1.00 1.00 N ATOM 541 CA GLY A 36 -11.137 -4.405 -5.420 1.00 1.00 C ATOM 542 C GLY A 36 -10.443 -4.813 -4.119 1.00 1.00 C ATOM 543 O GLY A 36 -9.243 -4.597 -3.958 1.00 1.00 O ATOM 0 H GLY A 36 -9.265 -4.051 -6.293 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.584 -3.418 -5.303 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -11.949 -5.099 -5.636 1.00 1.00 H new ATOM 547 N LYS A 37 -11.228 -5.396 -3.225 1.00 1.00 N ATOM 548 CA LYS A 37 -10.703 -5.835 -1.943 1.00 1.00 C ATOM 549 C LYS A 37 -9.644 -6.915 -2.174 1.00 1.00 C ATOM 550 O LYS A 37 -9.724 -7.671 -3.141 1.00 1.00 O ATOM 551 CB LYS A 37 -11.842 -6.277 -1.021 1.00 1.00 C ATOM 552 CG LYS A 37 -12.297 -7.700 -1.355 1.00 1.00 C ATOM 553 CD LYS A 37 -13.367 -8.178 -0.372 1.00 1.00 C ATOM 554 CE LYS A 37 -12.738 -8.945 0.792 1.00 1.00 C ATOM 555 NZ LYS A 37 -12.857 -8.171 2.048 1.00 1.00 N ATOM 0 H LYS A 37 -12.223 -5.575 -3.363 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.210 -5.009 -1.429 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.513 -6.231 0.017 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -12.682 -5.590 -1.120 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.691 -7.731 -2.371 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.442 -8.376 -1.325 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.923 -7.322 0.010 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -14.082 -8.818 -0.890 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -13.229 -9.912 0.906 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -11.688 -9.144 0.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -12.425 -8.706 2.828 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -12.368 -7.259 1.941 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -13.862 -8.003 2.258 1.00 1.00 H new ATOM 568 N ILE A 38 -8.677 -6.953 -1.269 1.00 1.00 N ATOM 569 CA ILE A 38 -7.603 -7.928 -1.362 1.00 1.00 C ATOM 570 C ILE A 38 -7.680 -8.880 -0.167 1.00 1.00 C ATOM 571 O ILE A 38 -7.849 -8.442 0.970 1.00 1.00 O ATOM 572 CB ILE A 38 -6.252 -7.225 -1.503 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.312 -6.130 -2.570 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.135 -8.234 -1.779 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.109 -5.191 -2.461 1.00 1.00 C ATOM 0 H ILE A 38 -8.615 -6.325 -0.468 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.715 -8.534 -2.261 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.020 -6.739 -0.556 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.335 -6.584 -3.561 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.234 -5.560 -2.459 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.185 -7.708 -1.875 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.075 -8.945 -0.955 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.349 -8.769 -2.704 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.177 -4.422 -3.231 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.103 -4.720 -1.478 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.190 -5.760 -2.597 1.00 1.00 H new ATOM 587 N GLU A 39 -7.551 -10.165 -0.464 1.00 1.00 N ATOM 588 CA GLU A 39 -7.603 -11.182 0.572 1.00 1.00 C ATOM 589 C GLU A 39 -6.189 -11.580 0.997 1.00 1.00 C ATOM 590 O GLU A 39 -5.308 -11.749 0.155 1.00 1.00 O ATOM 591 CB GLU A 39 -8.399 -12.402 0.103 1.00 1.00 C ATOM 592 CG GLU A 39 -9.272 -12.954 1.232 1.00 1.00 C ATOM 593 CD GLU A 39 -8.703 -14.268 1.772 1.00 1.00 C ATOM 594 OE1 GLU A 39 -9.357 -15.316 1.669 1.00 1.00 O ATOM 595 OE2 GLU A 39 -7.536 -14.174 2.314 1.00 1.00 O ATOM 0 H GLU A 39 -7.411 -10.525 -1.408 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.117 -10.765 1.438 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.026 -12.127 -0.745 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -7.714 -13.176 -0.244 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -9.336 -12.223 2.038 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.286 -13.115 0.867 1.00 1.00 H new ATOM 603 N GLY A 40 -6.014 -11.717 2.303 1.00 1.00 N ATOM 604 CA GLY A 40 -4.721 -12.092 2.850 1.00 1.00 C ATOM 605 C GLY A 40 -3.973 -10.867 3.378 1.00 1.00 C ATOM 606 O GLY A 40 -3.285 -10.945 4.395 1.00 1.00 O ATOM 0 H GLY A 40 -6.746 -11.575 2.999 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.858 -12.814 3.655 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.125 -12.583 2.080 1.00 1.00 H new ATOM 610 N PHE A 41 -4.131 -9.763 2.662 1.00 1.00 N ATOM 611 CA PHE A 41 -3.479 -8.522 3.045 1.00 1.00 C ATOM 612 C PHE A 41 -4.095 -7.952 4.325 1.00 1.00 C ATOM 613 O PHE A 41 -5.198 -7.409 4.299 1.00 1.00 O ATOM 614 CB PHE A 41 -3.699 -7.530 1.902 1.00 1.00 C ATOM 615 CG PHE A 41 -3.013 -6.178 2.111 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.507 -5.299 3.024 1.00 1.00 C ATOM 617 CD2 PHE A 41 -1.910 -5.855 1.384 1.00 1.00 C ATOM 618 CE1 PHE A 41 -2.871 -4.045 3.219 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.274 -4.601 1.578 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.768 -3.722 2.491 1.00 1.00 C ATOM 0 H PHE A 41 -4.701 -9.702 1.819 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.420 -8.700 3.231 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.333 -7.972 0.975 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.769 -7.367 1.777 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.383 -5.555 3.601 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.518 -6.553 0.659 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.263 -3.348 3.945 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.398 -4.345 1.001 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.285 -2.768 2.638 1.00 1.00 H new ATOM 630 N GLY A 42 -3.354 -8.095 5.414 1.00 1.00 N ATOM 631 CA GLY A 42 -3.813 -7.601 6.701 1.00 1.00 C ATOM 632 C GLY A 42 -2.632 -7.205 7.589 1.00 1.00 C ATOM 633 O GLY A 42 -2.807 -6.929 8.775 1.00 1.00 O ATOM 0 H GLY A 42 -2.439 -8.546 5.432 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.466 -6.741 6.553 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.406 -8.368 7.199 1.00 1.00 H new ATOM 637 N LYS A 43 -1.454 -7.189 6.981 1.00 1.00 N ATOM 638 CA LYS A 43 -0.245 -6.830 7.701 1.00 1.00 C ATOM 639 C LYS A 43 0.975 -7.315 6.915 1.00 1.00 C ATOM 640 O LYS A 43 1.562 -6.557 6.144 1.00 1.00 O ATOM 641 CB LYS A 43 -0.300 -7.357 9.137 1.00 1.00 C ATOM 642 CG LYS A 43 -0.532 -6.218 10.131 1.00 1.00 C ATOM 643 CD LYS A 43 0.289 -6.425 11.405 1.00 1.00 C ATOM 644 CE LYS A 43 -0.595 -6.327 12.649 1.00 1.00 C ATOM 645 NZ LYS A 43 -0.343 -7.470 13.555 1.00 1.00 N ATOM 0 H LYS A 43 -1.312 -7.419 5.997 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.160 -5.747 7.786 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.100 -8.092 9.228 1.00 1.00 H new ATOM 0 HB3 LYS A 43 0.632 -7.869 9.376 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -0.261 -5.268 9.670 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -1.591 -6.160 10.382 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.774 -7.401 11.375 1.00 1.00 H new ATOM 0 HD3 LYS A 43 1.081 -5.677 11.457 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -0.396 -5.391 13.171 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -1.645 -6.312 12.356 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -0.951 -7.388 14.395 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -0.555 -8.359 13.059 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 0.655 -7.467 13.849 1.00 1.00 H new ATOM 658 N GLU A 44 1.319 -8.575 7.136 1.00 1.00 N ATOM 659 CA GLU A 44 2.458 -9.170 6.457 1.00 1.00 C ATOM 660 C GLU A 44 2.596 -8.593 5.047 1.00 1.00 C ATOM 661 O GLU A 44 3.655 -8.087 4.681 1.00 1.00 O ATOM 662 CB GLU A 44 2.337 -10.695 6.417 1.00 1.00 C ATOM 663 CG GLU A 44 3.008 -11.331 7.636 1.00 1.00 C ATOM 664 CD GLU A 44 2.990 -10.376 8.832 1.00 1.00 C ATOM 665 OE1 GLU A 44 4.010 -9.737 9.130 1.00 1.00 O ATOM 666 OE2 GLU A 44 1.865 -10.311 9.460 1.00 1.00 O ATOM 0 H GLU A 44 0.829 -9.201 7.776 1.00 1.00 H new ATOM 0 HA GLU A 44 3.360 -8.925 7.018 1.00 1.00 H new ATOM 0 HB2 GLU A 44 1.285 -10.979 6.387 1.00 1.00 H new ATOM 0 HB3 GLU A 44 2.796 -11.076 5.505 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.494 -12.256 7.897 1.00 1.00 H new ATOM 0 HG3 GLU A 44 4.037 -11.595 7.393 1.00 1.00 H new ATOM 674 N MET A 45 1.510 -8.689 4.294 1.00 1.00 N ATOM 675 CA MET A 45 1.497 -8.183 2.932 1.00 1.00 C ATOM 676 C MET A 45 2.036 -6.753 2.873 1.00 1.00 C ATOM 677 O MET A 45 2.986 -6.473 2.143 1.00 1.00 O ATOM 678 CB MET A 45 0.066 -8.213 2.390 1.00 1.00 C ATOM 679 CG MET A 45 -0.281 -9.595 1.833 1.00 1.00 C ATOM 680 SD MET A 45 -0.713 -10.700 3.166 1.00 1.00 S ATOM 681 CE MET A 45 -0.716 -12.256 2.291 1.00 1.00 C ATOM 0 H MET A 45 0.633 -9.110 4.601 1.00 1.00 H new ATOM 0 HA MET A 45 2.139 -8.818 2.322 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.633 -7.951 3.184 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.046 -7.463 1.607 1.00 1.00 H new ATOM 0 HG2 MET A 45 -1.112 -9.515 1.132 1.00 1.00 H new ATOM 0 HG3 MET A 45 0.567 -9.996 1.278 1.00 1.00 H new ATOM 0 HE1 MET A 45 -0.969 -13.061 2.981 1.00 1.00 H new ATOM 0 HE2 MET A 45 -1.453 -12.221 1.489 1.00 1.00 H new ATOM 0 HE3 MET A 45 0.272 -12.438 1.868 1.00 1.00 H new ATOM 691 N ALA A 46 1.406 -5.885 3.652 1.00 1.00 N ATOM 692 CA ALA A 46 1.811 -4.490 3.697 1.00 1.00 C ATOM 693 C ALA A 46 3.271 -4.402 4.145 1.00 1.00 C ATOM 694 O ALA A 46 4.052 -3.636 3.581 1.00 1.00 O ATOM 695 CB ALA A 46 0.870 -3.716 4.622 1.00 1.00 C ATOM 0 H ALA A 46 0.619 -6.121 4.256 1.00 1.00 H new ATOM 0 HA ALA A 46 1.742 -4.037 2.708 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.173 -2.670 4.656 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.150 -3.786 4.245 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.916 -4.140 5.625 1.00 1.00 H new ATOM 701 N HIS A 47 3.597 -5.196 5.154 1.00 1.00 N ATOM 702 CA HIS A 47 4.950 -5.217 5.683 1.00 1.00 C ATOM 703 C HIS A 47 5.821 -6.139 4.829 1.00 1.00 C ATOM 704 O HIS A 47 6.942 -6.471 5.212 1.00 1.00 O ATOM 705 CB HIS A 47 4.948 -5.606 7.163 1.00 1.00 C ATOM 706 CG HIS A 47 4.119 -4.695 8.037 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.262 -5.171 9.014 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.025 -3.335 8.070 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.683 -4.134 9.603 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.157 -2.998 9.016 1.00 1.00 N ATOM 0 H HIS A 47 2.947 -5.830 5.619 1.00 1.00 H new ATOM 0 HA HIS A 47 5.381 -4.217 5.630 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.573 -6.625 7.260 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.975 -5.608 7.529 1.00 1.00 H new ATOM 0 HD1 HIS A 47 3.103 -6.152 9.242 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.565 -2.649 7.434 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.963 -4.181 10.406 1.00 1.00 H new ATOM 718 N GLY A 48 5.273 -6.527 3.687 1.00 1.00 N ATOM 719 CA GLY A 48 5.986 -7.405 2.774 1.00 1.00 C ATOM 720 C GLY A 48 5.436 -7.281 1.352 1.00 1.00 C ATOM 721 O GLY A 48 5.184 -6.176 0.874 1.00 1.00 O ATOM 0 H GLY A 48 4.343 -6.250 3.373 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.047 -7.157 2.780 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.898 -8.437 3.113 1.00 1.00 H new ATOM 725 N LYS A 49 5.266 -8.431 0.716 1.00 1.00 N ATOM 726 CA LYS A 49 4.750 -8.465 -0.642 1.00 1.00 C ATOM 727 C LYS A 49 3.330 -7.896 -0.659 1.00 1.00 C ATOM 728 O LYS A 49 2.357 -8.647 -0.710 1.00 1.00 O ATOM 729 CB LYS A 49 4.853 -9.879 -1.219 1.00 1.00 C ATOM 730 CG LYS A 49 3.822 -10.809 -0.576 1.00 1.00 C ATOM 731 CD LYS A 49 4.319 -12.256 -0.567 1.00 1.00 C ATOM 732 CE LYS A 49 5.533 -12.413 0.351 1.00 1.00 C ATOM 733 NZ LYS A 49 6.554 -13.276 -0.284 1.00 1.00 N ATOM 0 H LYS A 49 5.476 -9.346 1.116 1.00 1.00 H new ATOM 0 HA LYS A 49 5.354 -7.834 -1.294 1.00 1.00 H new ATOM 0 HB2 LYS A 49 4.698 -9.848 -2.297 1.00 1.00 H new ATOM 0 HB3 LYS A 49 5.856 -10.272 -1.053 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.620 -10.484 0.445 1.00 1.00 H new ATOM 0 HG3 LYS A 49 2.881 -10.747 -1.122 1.00 1.00 H new ATOM 0 HD2 LYS A 49 3.519 -12.917 -0.234 1.00 1.00 H new ATOM 0 HD3 LYS A 49 4.583 -12.560 -1.580 1.00 1.00 H new ATOM 0 HE2 LYS A 49 5.960 -11.434 0.569 1.00 1.00 H new ATOM 0 HE3 LYS A 49 5.223 -12.845 1.303 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 7.371 -13.372 0.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 6.148 -14.215 -0.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 6.862 -12.848 -1.180 1.00 1.00 H new ATOM 746 N GLY A 50 3.257 -6.574 -0.614 1.00 1.00 N ATOM 747 CA GLY A 50 1.972 -5.895 -0.623 1.00 1.00 C ATOM 748 C GLY A 50 2.151 -4.383 -0.772 1.00 1.00 C ATOM 749 O GLY A 50 1.518 -3.760 -1.622 1.00 1.00 O ATOM 0 H GLY A 50 4.066 -5.955 -0.571 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.362 -6.275 -1.442 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.436 -6.112 0.301 1.00 1.00 H new ATOM 753 N CYS A 51 3.018 -3.837 0.068 1.00 1.00 N ATOM 754 CA CYS A 51 3.289 -2.409 0.041 1.00 1.00 C ATOM 755 C CYS A 51 4.800 -2.205 0.163 1.00 1.00 C ATOM 756 O CYS A 51 5.415 -1.562 -0.687 1.00 1.00 O ATOM 757 CB CYS A 51 2.522 -1.666 1.136 1.00 1.00 C ATOM 758 SG CYS A 51 0.726 -2.017 1.188 1.00 1.00 S ATOM 0 H CYS A 51 3.542 -4.357 0.772 1.00 1.00 H new ATOM 0 HA CYS A 51 2.941 -1.988 -0.903 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.956 -1.923 2.102 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.665 -0.594 0.997 1.00 1.00 H new ATOM 763 N LYS A 52 5.356 -2.763 1.229 1.00 1.00 N ATOM 764 CA LYS A 52 6.784 -2.650 1.474 1.00 1.00 C ATOM 765 C LYS A 52 7.544 -3.444 0.410 1.00 1.00 C ATOM 766 O LYS A 52 8.455 -2.919 -0.229 1.00 1.00 O ATOM 767 CB LYS A 52 7.116 -3.068 2.908 1.00 1.00 C ATOM 768 CG LYS A 52 7.875 -1.959 3.640 1.00 1.00 C ATOM 769 CD LYS A 52 9.377 -2.049 3.366 1.00 1.00 C ATOM 770 CE LYS A 52 10.056 -3.013 4.341 1.00 1.00 C ATOM 771 NZ LYS A 52 11.353 -3.473 3.798 1.00 1.00 N ATOM 0 H LYS A 52 4.843 -3.295 1.933 1.00 1.00 H new ATOM 0 HA LYS A 52 7.105 -1.612 1.387 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.196 -3.300 3.445 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.716 -3.978 2.896 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.501 -0.986 3.321 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.692 -2.035 4.712 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.544 -2.384 2.342 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.826 -1.060 3.455 1.00 1.00 H new ATOM 0 HE2 LYS A 52 10.211 -2.519 5.300 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.408 -3.870 4.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.861 -4.016 4.525 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.187 -4.077 2.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.924 -2.650 3.519 1.00 1.00 H new ATOM 784 N GLY A 53 7.142 -4.697 0.253 1.00 1.00 N ATOM 785 CA GLY A 53 7.774 -5.569 -0.723 1.00 1.00 C ATOM 786 C GLY A 53 8.155 -4.794 -1.985 1.00 1.00 C ATOM 787 O GLY A 53 9.270 -4.929 -2.488 1.00 1.00 O ATOM 0 H GLY A 53 6.387 -5.129 0.785 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.664 -6.023 -0.288 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.096 -6.382 -0.982 1.00 1.00 H new ATOM 791 N CYS A 54 7.208 -3.999 -2.462 1.00 1.00 N ATOM 792 CA CYS A 54 7.430 -3.203 -3.656 1.00 1.00 C ATOM 793 C CYS A 54 8.328 -2.020 -3.285 1.00 1.00 C ATOM 794 O CYS A 54 9.254 -1.684 -4.022 1.00 1.00 O ATOM 795 CB CYS A 54 6.112 -2.743 -4.283 1.00 1.00 C ATOM 796 SG CYS A 54 6.425 -2.007 -5.929 1.00 1.00 S ATOM 0 H CYS A 54 6.285 -3.890 -2.042 1.00 1.00 H new ATOM 0 HA CYS A 54 7.925 -3.811 -4.414 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.430 -3.588 -4.377 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.627 -2.013 -3.635 1.00 1.00 H new ATOM 801 N HIS A 55 8.023 -1.423 -2.143 1.00 1.00 N ATOM 802 CA HIS A 55 8.791 -0.285 -1.665 1.00 1.00 C ATOM 803 C HIS A 55 10.261 -0.684 -1.519 1.00 1.00 C ATOM 804 O HIS A 55 11.152 0.056 -1.932 1.00 1.00 O ATOM 805 CB HIS A 55 8.194 0.267 -0.369 1.00 1.00 C ATOM 806 CG HIS A 55 6.816 0.862 -0.532 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.939 1.025 0.526 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.173 1.332 -1.640 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.822 1.567 0.065 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.969 1.757 -1.278 1.00 1.00 N ATOM 0 H HIS A 55 7.255 -1.705 -1.534 1.00 1.00 H new ATOM 0 HA HIS A 55 8.741 0.525 -2.393 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.147 -0.535 0.368 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.863 1.029 0.031 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.122 0.771 1.497 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.576 1.354 -2.642 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.948 1.815 0.649 1.00 1.00 H new ATOM 818 N GLU A 56 10.468 -1.852 -0.929 1.00 1.00 N ATOM 819 CA GLU A 56 11.814 -2.358 -0.722 1.00 1.00 C ATOM 820 C GLU A 56 12.359 -2.962 -2.018 1.00 1.00 C ATOM 821 O GLU A 56 13.568 -2.970 -2.244 1.00 1.00 O ATOM 822 CB GLU A 56 11.848 -3.379 0.416 1.00 1.00 C ATOM 823 CG GLU A 56 10.647 -4.325 0.340 1.00 1.00 C ATOM 824 CD GLU A 56 11.058 -5.761 0.669 1.00 1.00 C ATOM 825 OE1 GLU A 56 11.965 -6.310 0.025 1.00 1.00 O ATOM 826 OE2 GLU A 56 10.400 -6.309 1.634 1.00 1.00 O ATOM 0 H GLU A 56 9.726 -2.463 -0.588 1.00 1.00 H new ATOM 0 HA GLU A 56 12.454 -1.524 -0.435 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.772 -3.954 0.366 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.847 -2.860 1.375 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.875 -3.995 1.036 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.213 -4.287 -0.659 1.00 1.00 H new ATOM 834 N GLU A 57 11.440 -3.454 -2.836 1.00 1.00 N ATOM 835 CA GLU A 57 11.812 -4.059 -4.103 1.00 1.00 C ATOM 836 C GLU A 57 12.167 -2.976 -5.125 1.00 1.00 C ATOM 837 O GLU A 57 13.033 -3.179 -5.974 1.00 1.00 O ATOM 838 CB GLU A 57 10.696 -4.964 -4.628 1.00 1.00 C ATOM 839 CG GLU A 57 11.008 -5.455 -6.043 1.00 1.00 C ATOM 840 CD GLU A 57 9.733 -5.902 -6.762 1.00 1.00 C ATOM 841 OE1 GLU A 57 9.321 -7.064 -6.627 1.00 1.00 O ATOM 842 OE2 GLU A 57 9.166 -4.994 -7.481 1.00 1.00 O ATOM 0 H GLU A 57 10.438 -3.446 -2.645 1.00 1.00 H new ATOM 0 HA GLU A 57 12.692 -4.681 -3.941 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.572 -5.818 -3.962 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.751 -4.420 -4.628 1.00 1.00 H new ATOM 0 HG2 GLU A 57 11.489 -4.658 -6.610 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.714 -6.285 -5.997 1.00 1.00 H new ATOM 850 N MET A 58 11.479 -1.850 -5.008 1.00 1.00 N ATOM 851 CA MET A 58 11.710 -0.735 -5.911 1.00 1.00 C ATOM 852 C MET A 58 12.640 0.301 -5.276 1.00 1.00 C ATOM 853 O MET A 58 13.537 0.823 -5.936 1.00 1.00 O ATOM 854 CB MET A 58 10.375 -0.076 -6.260 1.00 1.00 C ATOM 855 CG MET A 58 9.463 -1.049 -7.010 1.00 1.00 C ATOM 856 SD MET A 58 8.292 -0.143 -8.008 1.00 1.00 S ATOM 857 CE MET A 58 8.297 -1.149 -9.482 1.00 1.00 C ATOM 0 H MET A 58 10.762 -1.686 -4.302 1.00 1.00 H new ATOM 0 HA MET A 58 12.185 -1.116 -6.815 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.882 0.261 -5.348 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.551 0.808 -6.872 1.00 1.00 H new ATOM 0 HG2 MET A 58 10.060 -1.706 -7.642 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.933 -1.684 -6.300 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.613 -0.722 -10.216 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.304 -1.179 -9.899 1.00 1.00 H new ATOM 0 HE3 MET A 58 7.977 -2.161 -9.233 1.00 1.00 H new ATOM 867 N LYS A 59 12.395 0.566 -4.001 1.00 1.00 N ATOM 868 CA LYS A 59 13.200 1.530 -3.269 1.00 1.00 C ATOM 869 C LYS A 59 12.765 2.946 -3.653 1.00 1.00 C ATOM 870 O LYS A 59 13.601 3.790 -3.974 1.00 1.00 O ATOM 871 CB LYS A 59 14.690 1.263 -3.491 1.00 1.00 C ATOM 872 CG LYS A 59 15.015 -0.220 -3.300 1.00 1.00 C ATOM 873 CD LYS A 59 15.426 -0.510 -1.855 1.00 1.00 C ATOM 874 CE LYS A 59 16.884 -0.117 -1.611 1.00 1.00 C ATOM 875 NZ LYS A 59 17.167 -0.050 -0.160 1.00 1.00 N ATOM 0 H LYS A 59 11.651 0.130 -3.456 1.00 1.00 H new ATOM 0 HA LYS A 59 13.038 1.425 -2.196 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.973 1.575 -4.496 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.278 1.861 -2.795 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.146 -0.823 -3.563 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.820 -0.509 -3.976 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.778 0.039 -1.172 1.00 1.00 H new ATOM 0 HD3 LYS A 59 15.290 -1.570 -1.640 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.546 -0.842 -2.084 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.088 0.849 -2.072 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.161 0.218 -0.012 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.548 0.659 0.282 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.991 -0.980 0.271 1.00 1.00 H new ATOM 888 N LYS A 60 11.459 3.163 -3.607 1.00 1.00 N ATOM 889 CA LYS A 60 10.904 4.462 -3.946 1.00 1.00 C ATOM 890 C LYS A 60 9.884 4.870 -2.881 1.00 1.00 C ATOM 891 O LYS A 60 9.889 6.008 -2.415 1.00 1.00 O ATOM 892 CB LYS A 60 10.336 4.448 -5.367 1.00 1.00 C ATOM 893 CG LYS A 60 11.373 4.946 -6.376 1.00 1.00 C ATOM 894 CD LYS A 60 11.416 4.042 -7.609 1.00 1.00 C ATOM 895 CE LYS A 60 10.782 4.733 -8.818 1.00 1.00 C ATOM 896 NZ LYS A 60 11.616 4.534 -10.025 1.00 1.00 N ATOM 0 H LYS A 60 10.769 2.461 -3.340 1.00 1.00 H new ATOM 0 HA LYS A 60 11.686 5.221 -3.947 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.025 3.436 -5.628 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.447 5.077 -5.413 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.133 5.966 -6.677 1.00 1.00 H new ATOM 0 HG3 LYS A 60 12.357 4.975 -5.908 1.00 1.00 H new ATOM 0 HD2 LYS A 60 12.449 3.780 -7.836 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.889 3.111 -7.400 1.00 1.00 H new ATOM 0 HE2 LYS A 60 9.782 4.334 -8.990 1.00 1.00 H new ATOM 0 HE3 LYS A 60 10.670 5.799 -8.618 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 11.172 5.009 -10.836 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 12.562 4.936 -9.864 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 11.702 3.517 -10.224 1.00 1.00 H new ATOM 909 N GLY A 61 9.034 3.918 -2.526 1.00 1.00 N ATOM 910 CA GLY A 61 8.011 4.163 -1.524 1.00 1.00 C ATOM 911 C GLY A 61 8.609 4.155 -0.116 1.00 1.00 C ATOM 912 O GLY A 61 9.818 4.052 0.079 1.00 1.00 O ATOM 0 H GLY A 61 9.033 2.975 -2.915 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.533 5.124 -1.714 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.235 3.401 -1.598 1.00 1.00 H new ATOM 916 N PRO A 62 7.721 4.269 0.875 1.00 1.00 N ATOM 917 CA PRO A 62 8.065 4.282 2.280 1.00 1.00 C ATOM 918 C PRO A 62 8.432 2.875 2.730 1.00 1.00 C ATOM 919 O PRO A 62 7.710 1.937 2.394 1.00 1.00 O ATOM 920 CB PRO A 62 6.802 4.771 2.987 1.00 1.00 C ATOM 921 CG PRO A 62 5.686 4.159 2.063 1.00 1.00 C ATOM 922 CD PRO A 62 6.293 4.392 0.681 1.00 1.00 C ATOM 0 HA PRO A 62 8.921 4.920 2.501 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.735 4.406 4.012 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.749 5.859 3.032 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.516 3.102 2.266 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.728 4.664 2.183 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.928 3.660 -0.039 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.030 5.377 0.295 1.00 1.00 H new ATOM 930 N THR A 63 9.526 2.753 3.466 1.00 1.00 N ATOM 931 CA THR A 63 9.966 1.454 3.945 1.00 1.00 C ATOM 932 C THR A 63 10.346 1.531 5.425 1.00 1.00 C ATOM 933 O THR A 63 11.145 0.730 5.907 1.00 1.00 O ATOM 934 CB THR A 63 11.111 0.981 3.047 1.00 1.00 C ATOM 935 OG1 THR A 63 11.775 2.184 2.670 1.00 1.00 O ATOM 936 CG2 THR A 63 10.614 0.398 1.723 1.00 1.00 C ATOM 0 H THR A 63 10.122 3.533 3.743 1.00 1.00 H new ATOM 0 HA THR A 63 9.163 0.719 3.886 1.00 1.00 H new ATOM 0 HB THR A 63 11.701 0.231 3.574 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.533 1.970 2.087 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.466 0.078 1.124 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.968 -0.457 1.922 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.053 1.158 1.179 1.00 1.00 H new ATOM 944 N LYS A 64 9.756 2.503 6.105 1.00 1.00 N ATOM 945 CA LYS A 64 10.023 2.696 7.520 1.00 1.00 C ATOM 946 C LYS A 64 8.697 2.835 8.270 1.00 1.00 C ATOM 947 O LYS A 64 7.695 3.259 7.695 1.00 1.00 O ATOM 948 CB LYS A 64 10.975 3.875 7.730 1.00 1.00 C ATOM 949 CG LYS A 64 12.197 3.454 8.548 1.00 1.00 C ATOM 950 CD LYS A 64 12.890 2.245 7.916 1.00 1.00 C ATOM 951 CE LYS A 64 14.400 2.292 8.156 1.00 1.00 C ATOM 952 NZ LYS A 64 14.738 1.668 9.455 1.00 1.00 N ATOM 0 H LYS A 64 9.094 3.166 5.702 1.00 1.00 H new ATOM 0 HA LYS A 64 10.534 1.826 7.933 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.296 4.264 6.764 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.452 4.683 8.241 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.898 4.286 8.615 1.00 1.00 H new ATOM 0 HG3 LYS A 64 11.892 3.212 9.566 1.00 1.00 H new ATOM 0 HD2 LYS A 64 12.480 1.326 8.335 1.00 1.00 H new ATOM 0 HD3 LYS A 64 12.689 2.225 6.845 1.00 1.00 H new ATOM 0 HE2 LYS A 64 14.919 1.772 7.350 1.00 1.00 H new ATOM 0 HE3 LYS A 64 14.744 3.326 8.142 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 15.767 1.708 9.602 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 14.258 2.181 10.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 14.427 0.676 9.455 1.00 1.00 H new ATOM 965 N CYS A 65 8.733 2.470 9.543 1.00 1.00 N ATOM 966 CA CYS A 65 7.547 2.549 10.379 1.00 1.00 C ATOM 967 C CYS A 65 7.048 3.995 10.369 1.00 1.00 C ATOM 968 O CYS A 65 5.847 4.241 10.263 1.00 1.00 O ATOM 969 CB CYS A 65 7.820 2.049 11.799 1.00 1.00 C ATOM 970 SG CYS A 65 8.932 0.599 11.901 1.00 1.00 S ATOM 0 H CYS A 65 9.565 2.119 10.016 1.00 1.00 H new ATOM 0 HA CYS A 65 6.773 1.895 9.978 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.254 2.864 12.379 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.870 1.794 12.269 1.00 1.00 H new ATOM 975 N GLY A 66 7.995 4.915 10.482 1.00 1.00 N ATOM 976 CA GLY A 66 7.666 6.331 10.488 1.00 1.00 C ATOM 977 C GLY A 66 7.584 6.880 9.062 1.00 1.00 C ATOM 978 O GLY A 66 7.599 8.093 8.859 1.00 1.00 O ATOM 0 H GLY A 66 8.990 4.708 10.570 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.714 6.485 10.996 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.420 6.881 11.051 1.00 1.00 H new ATOM 982 N GLU A 67 7.501 5.961 8.112 1.00 1.00 N ATOM 983 CA GLU A 67 7.417 6.339 6.711 1.00 1.00 C ATOM 984 C GLU A 67 6.064 5.925 6.130 1.00 1.00 C ATOM 985 O GLU A 67 5.779 6.187 4.962 1.00 1.00 O ATOM 986 CB GLU A 67 8.568 5.729 5.909 1.00 1.00 C ATOM 987 CG GLU A 67 9.407 6.819 5.239 1.00 1.00 C ATOM 988 CD GLU A 67 10.165 6.263 4.032 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.840 5.229 4.146 1.00 1.00 O ATOM 990 OE2 GLU A 67 10.034 6.944 2.944 1.00 1.00 O ATOM 0 H GLU A 67 7.490 4.956 8.284 1.00 1.00 H new ATOM 0 HA GLU A 67 7.504 7.423 6.641 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.199 5.133 6.568 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.170 5.054 5.151 1.00 1.00 H new ATOM 0 HG2 GLU A 67 8.760 7.637 4.922 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.114 7.232 5.958 1.00 1.00 H new ATOM 998 N CYS A 68 5.265 5.285 6.971 1.00 1.00 N ATOM 999 CA CYS A 68 3.948 4.832 6.556 1.00 1.00 C ATOM 1000 C CYS A 68 2.935 5.259 7.620 1.00 1.00 C ATOM 1001 O CYS A 68 2.017 6.026 7.335 1.00 1.00 O ATOM 1002 CB CYS A 68 3.920 3.321 6.314 1.00 1.00 C ATOM 1003 SG CYS A 68 3.840 2.976 4.519 1.00 1.00 S ATOM 0 H CYS A 68 5.504 5.069 7.939 1.00 1.00 H new ATOM 0 HA CYS A 68 3.686 5.291 5.603 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.810 2.859 6.742 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.059 2.880 6.816 1.00 1.00 H new ATOM 1008 N HIS A 69 3.136 4.742 8.823 1.00 1.00 N ATOM 1009 CA HIS A 69 2.251 5.061 9.931 1.00 1.00 C ATOM 1010 C HIS A 69 2.499 6.499 10.389 1.00 1.00 C ATOM 1011 O HIS A 69 3.543 6.800 10.966 1.00 1.00 O ATOM 1012 CB HIS A 69 2.410 4.043 11.062 1.00 1.00 C ATOM 1013 CG HIS A 69 2.078 2.625 10.664 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.780 2.185 10.470 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.887 1.554 10.424 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.818 0.905 10.131 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.125 0.515 10.103 1.00 1.00 N ATOM 0 H HIS A 69 3.898 4.105 9.055 1.00 1.00 H new ATOM 0 HA HIS A 69 1.214 4.995 9.603 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.437 4.076 11.425 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.768 4.336 11.893 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -0.063 2.751 10.571 1.00 1.00 H new ATOM 0 HD2 HIS A 69 3.965 1.551 10.485 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.036 0.280 9.915 1.00 1.00 H new ATOM 1025 N LYS A 70 1.522 7.351 10.113 1.00 1.00 N ATOM 1026 CA LYS A 70 1.621 8.750 10.489 1.00 1.00 C ATOM 1027 C LYS A 70 0.216 9.312 10.720 1.00 1.00 C ATOM 1028 O LYS A 70 -0.598 9.354 9.800 1.00 1.00 O ATOM 1029 CB LYS A 70 2.431 9.528 9.451 1.00 1.00 C ATOM 1030 CG LYS A 70 2.406 11.029 9.747 1.00 1.00 C ATOM 1031 CD LYS A 70 3.520 11.414 10.723 1.00 1.00 C ATOM 1032 CE LYS A 70 4.869 11.507 10.005 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.086 12.876 9.486 1.00 1.00 N ATOM 0 H LYS A 70 0.658 7.098 9.633 1.00 1.00 H new ATOM 0 HA LYS A 70 2.165 8.855 11.428 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.461 9.172 9.447 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.026 9.343 8.456 1.00 1.00 H new ATOM 0 HG2 LYS A 70 2.522 11.588 8.819 1.00 1.00 H new ATOM 0 HG3 LYS A 70 1.439 11.304 10.167 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.285 12.371 11.190 1.00 1.00 H new ATOM 0 HD3 LYS A 70 3.579 10.676 11.523 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.672 11.240 10.692 1.00 1.00 H new ATOM 0 HE3 LYS A 70 4.901 10.791 9.184 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.005 12.922 9.002 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.329 13.117 8.815 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.077 13.552 10.276 1.00 1.00 H new ATOM 1046 N LYS A 71 -0.023 9.730 11.954 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.315 10.288 12.318 1.00 1.00 C ATOM 1048 C LYS A 71 -1.668 11.419 11.350 1.00 1.00 C ATOM 1049 O LYS A 71 -2.128 12.480 11.770 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.321 10.712 13.788 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.745 10.734 14.347 1.00 1.00 C ATOM 1052 CD LYS A 71 -3.087 12.109 14.923 1.00 1.00 C ATOM 1053 CE LYS A 71 -3.074 12.081 16.453 1.00 1.00 C ATOM 1054 NZ LYS A 71 -1.685 12.012 16.958 1.00 1.00 N ATOM 0 H LYS A 71 0.656 9.694 12.715 1.00 1.00 H new ATOM 0 HA LYS A 71 -2.096 9.533 12.225 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.708 10.024 14.371 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.872 11.701 13.887 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -3.453 10.480 13.558 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.847 9.975 15.123 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -2.370 12.847 14.563 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -4.070 12.421 14.570 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -3.565 12.972 16.843 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -3.641 11.222 16.812 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -1.694 11.994 17.998 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -1.228 11.149 16.601 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -1.155 12.845 16.631 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.812 -0.783 -3.972 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.103 -0.144 -8.792 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.245 0.072 -9.069 1.00 1.00 C HETATM 1071 CHD HEM A 101 -3.951 -0.918 -4.248 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.299 -0.670 -5.271 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.689 -0.821 -5.632 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.773 -0.645 -6.968 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.436 -0.382 -7.446 1.00 1.00 C HETATM 1076 CMA HEM A 101 -11.999 -0.701 -7.832 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.800 -1.119 -4.668 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.458 0.124 -4.076 1.00 1.00 C HETATM 1079 CGA HEM A 101 -12.636 -0.014 -2.571 1.00 1.00 C HETATM 1080 O1A HEM A 101 -13.758 0.277 -2.103 1.00 1.00 O HETATM 1081 O2A HEM A 101 -11.646 -0.408 -1.916 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.805 0.009 -9.268 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.476 0.344 -10.634 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.130 0.405 -10.714 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.612 0.108 -9.399 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.478 0.573 -11.728 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.289 0.717 -11.917 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.808 1.885 -12.752 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.715 -0.211 -7.735 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.319 -0.382 -7.411 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.248 -0.661 -6.092 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.601 -0.665 -5.587 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.189 -0.262 -8.392 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.022 -0.923 -5.267 1.00 1.00 C HETATM 1095 CBC HEM A 101 0.228 -0.205 -5.768 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.256 -0.960 -3.768 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.607 -1.215 -2.391 1.00 1.00 C HETATM 1098 C3D HEM A 101 -6.954 -1.178 -2.311 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.450 -0.900 -3.638 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.622 -1.468 -1.287 1.00 1.00 C HETATM 1101 CAD HEM A 101 -7.814 -1.381 -1.098 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.467 -2.630 -0.293 1.00 1.00 C HETATM 1103 CGD HEM A 101 -6.884 -2.263 1.064 1.00 1.00 C HETATM 1104 O1D HEM A 101 -5.791 -2.787 1.372 1.00 1.00 O HETATM 1105 O2D HEM A 101 -7.540 -1.466 1.767 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.537 -0.400 -6.394 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.651 -0.133 -8.517 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.495 -0.387 -6.606 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.398 -0.768 -4.527 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.338 -0.467 -6.615 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -11.872 -0.037 -8.687 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -12.867 -0.386 -7.253 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.149 -1.721 -8.184 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.367 -0.028 -11.538 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.043 0.286 -12.685 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.752 1.628 -11.756 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.535 -0.556 -9.383 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.370 -0.913 -8.085 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.841 0.770 -8.421 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.035 -1.112 -0.343 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.693 -0.938 -1.499 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.422 -2.537 -1.216 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.271 2.195 -13.648 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.715 2.409 -12.452 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 1.174 -0.327 -5.241 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 0.174 0.429 -6.653 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -13.428 0.285 -4.547 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -11.848 1.001 -4.294 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.408 -1.732 -3.856 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.560 -1.712 -5.177 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -6.751 -3.237 -0.848 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.361 -3.238 -0.156 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -8.857 -1.441 -1.410 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.724 -0.508 -0.451 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.529 -0.781 -3.164 1.00 1.00 H new HETATM 0 HHB HEM A 101 -9.911 -0.075 -9.505 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.534 0.268 -9.858 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.151 -1.092 -3.544 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.388 0.159 -12.172 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.024 -1.568 -4.389 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.239 5.613 -2.608 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.074 3.632 0.521 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.840 -0.373 -2.240 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.240 1.514 -5.240 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.369 5.424 -1.538 1.00 1.00 C HETATM 1116 C2A HEM A 102 4.074 6.430 -0.545 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.197 5.884 0.323 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.940 4.535 -0.123 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.579 6.519 1.535 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.657 7.812 -0.523 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.667 8.504 -1.883 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.866 9.798 -1.845 1.00 1.00 C HETATM 1123 O1A HEM A 102 2.841 9.810 -1.130 1.00 1.00 O HETATM 1124 O2A HEM A 102 4.294 10.751 -2.532 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.732 2.378 0.026 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.782 1.489 0.653 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.715 0.378 -0.110 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.623 0.567 -1.217 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.032 1.789 1.918 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.127 -0.845 0.111 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.546 -0.544 0.586 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.815 -0.248 -3.308 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.157 -1.260 -4.280 1.00 1.00 C HETATM 1134 C3C HEM A 102 4.087 -0.725 -5.099 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.331 0.623 -4.643 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.562 -2.637 -4.330 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.766 -1.371 -6.272 1.00 1.00 C HETATM 1138 CBC HEM A 102 4.015 -2.572 -6.839 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.453 2.823 -4.819 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.168 3.816 -5.586 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.169 4.953 -4.859 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.456 4.676 -3.635 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.779 3.582 -6.937 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.782 6.277 -5.214 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.328 6.828 -6.563 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.402 6.635 -7.624 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.562 6.998 -7.330 1.00 1.00 O HETATM 1148 O2D HEM A 102 7.044 6.127 -8.708 1.00 1.00 O HETATM 1149 NA HEM A 102 3.667 4.262 -1.269 1.00 1.00 N HETATM 1150 NB HEM A 102 2.243 1.801 -1.123 1.00 1.00 N HETATM 1151 NC HEM A 102 3.543 0.906 -3.541 1.00 1.00 N HETATM 1152 ND HEM A 102 5.020 3.362 -3.620 1.00 1.00 N HETATM 1153 FE HEM A 102 3.766 2.602 -2.443 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.267 7.254 1.951 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.372 5.752 2.282 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.649 7.012 1.253 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.933 1.282 1.898 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.125 2.864 2.001 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.608 1.439 2.774 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.548 -2.990 -5.361 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.543 -2.608 -3.943 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.162 -3.315 -3.722 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.082 2.539 -7.023 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.651 4.224 -7.058 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 6.048 3.813 -7.712 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.242 -1.361 0.777 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.864 0.488 0.734 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.421 -3.115 -7.693 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 3.073 -2.887 -6.390 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.250 7.837 -2.637 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.694 8.717 -2.179 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.679 7.758 -0.147 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 4.090 8.423 0.180 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.095 7.888 -6.466 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.411 6.327 -6.874 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.867 6.173 -5.222 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.536 7.000 -4.436 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.785 6.543 -2.653 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.645 3.934 1.465 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.229 -1.264 -2.230 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.813 1.158 -6.084 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.242 -1.857 -0.053 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.711 -1.014 -6.682 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.515 -2.412 10.209 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.545 -1.941 12.859 1.00 1.00 C HETATM 1156 CHC HEM A 103 5.941 -0.292 8.952 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.686 -0.282 6.422 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.386 -2.402 11.269 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.046 -2.756 12.627 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.169 -2.626 13.364 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.216 -2.191 12.470 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.344 -2.875 14.834 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.317 -3.182 13.087 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.261 -2.023 13.392 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.874 -2.164 14.777 1.00 1.00 C HETATM 1166 O1A HEM A 103 -3.005 -3.324 15.224 1.00 1.00 O HETATM 1167 O2A HEM A 103 -3.200 -1.109 15.364 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.556 -1.531 11.996 1.00 1.00 C HETATM 1169 C2B HEM A 103 5.959 -1.518 12.337 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.626 -1.062 11.256 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.642 -0.787 10.235 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.525 -1.944 13.660 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.105 -0.862 11.099 1.00 1.00 C HETATM 1174 CBB HEM A 103 8.938 -2.092 11.448 1.00 1.00 C HETATM 1175 C1C HEM A 103 4.953 -0.138 7.845 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.184 0.549 6.595 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.009 0.573 5.932 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.038 -0.099 6.764 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.504 1.114 6.158 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.720 1.171 4.586 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.656 0.692 3.480 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.750 -0.928 7.224 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.563 -1.328 6.777 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.176 -1.919 7.825 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.248 -1.890 8.930 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.104 -1.107 5.394 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.556 -2.507 7.877 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.672 -1.494 7.639 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.739 -2.061 6.714 1.00 1.00 C HETATM 1190 O1D HEM A 103 -5.923 -1.729 6.943 1.00 1.00 O HETATM 1191 O2D HEM A 103 -4.352 -2.815 5.796 1.00 1.00 O HETATM 1192 NA HEM A 103 1.724 -2.056 11.184 1.00 1.00 N HETATM 1193 NB HEM A 103 4.372 -1.078 10.701 1.00 1.00 N HETATM 1194 NC HEM A 103 3.629 -0.532 7.938 1.00 1.00 N HETATM 1195 ND HEM A 103 0.934 -1.279 8.550 1.00 1.00 N HETATM 1196 FE HEM A 103 2.719 -1.142 9.573 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.407 -2.669 15.352 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.125 -2.222 15.223 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.627 -3.915 14.996 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.795 -1.753 14.447 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.435 -1.380 13.865 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.756 -3.009 13.631 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.078 1.416 7.034 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.335 1.980 5.519 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.058 0.357 5.604 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.810 -1.900 5.148 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.283 -1.116 4.677 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.612 -0.144 5.352 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 10.024 -2.055 11.368 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.447 -3.008 11.777 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.533 1.065 2.463 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.447 -0.023 3.707 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -3.052 -1.988 12.643 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.717 -1.081 13.326 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.212 -3.796 13.981 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.768 -3.811 12.320 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.256 -0.585 7.205 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.123 -1.215 8.591 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.704 -2.974 8.851 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.631 -3.297 7.130 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.487 -2.851 10.380 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.798 -2.077 13.900 1.00 1.00 H new HETATM 0 HHC HEM A 103 6.962 -0.002 8.754 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.351 0.106 5.471 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.545 0.078 10.765 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.914 1.884 4.414 1.00 1.00 H new