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= -5.68! C(o=-6.6!,f=-13!) 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= -0.959 (180deg=-0.0866) USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.125 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 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= -9.6! C(o=-9.6!,f=-17!) 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 176:sc= -0.0202 (180deg=-0.0559) 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+ -149:sc= 0.921 (180deg=0.0734) 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= -0.0645 (180deg=-0.102) USER MOD Single : A 101 HEM CMB :methyl -30:sc= -1.26 (180deg=-4!) USER MOD Single : A 101 HEM CMC :methyl -30:sc= -5.01! (180deg=-7.8!) USER MOD Single : A 101 HEM CMD :methyl 150:sc= -1.2 (180deg=-1.2) USER MOD Single : A 102 HEM CMA :methyl 150:sc= -0.151 (180deg=-0.151) USER MOD Single : A 102 HEM CMB :methyl 150:sc= -6.66! (180deg=-6.66!) USER MOD Single : A 102 HEM CMC :methyl 150:sc= -11.9! (180deg=-11.9!) USER MOD Single : A 102 HEM CMD :methyl -30:sc= -3.49! (180deg=-7.81!) USER MOD Single : A 103 HEM CMB :methyl -30:sc= -0.243 (180deg=-1.55) USER MOD Single : A 103 HEM CMC :methyl -30:sc= -4.24! (180deg=-5.82!) USER MOD Single : A 103 HEM CMD :methyl 150:sc= -1.06 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.750 9.612 -1.820 1.00 1.00 N ATOM 2 CA ALA A 1 -11.827 9.808 -2.925 1.00 1.00 C ATOM 3 C ALA A 1 -10.871 8.615 -3.003 1.00 1.00 C ATOM 4 O ALA A 1 -10.833 7.785 -2.096 1.00 1.00 O ATOM 5 CB ALA A 1 -11.088 11.136 -2.745 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.664 9.277 -2.186 1.00 1.00 H new ATOM 0 H2 ALA A 1 -12.360 8.906 -1.163 1.00 1.00 H new ATOM 0 H3 ALA A 1 -12.887 10.513 -1.318 1.00 1.00 H new ATOM 0 HA ALA A 1 -12.367 9.861 -3.870 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -10.396 11.282 -3.574 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -11.809 11.954 -2.725 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -10.533 11.119 -1.807 1.00 1.00 H new ATOM 11 N ASP A 2 -10.123 8.568 -4.095 1.00 1.00 N ATOM 12 CA ASP A 2 -9.170 7.491 -4.303 1.00 1.00 C ATOM 13 C ASP A 2 -8.453 7.188 -2.985 1.00 1.00 C ATOM 14 O ASP A 2 -8.303 6.027 -2.609 1.00 1.00 O ATOM 15 CB ASP A 2 -8.112 7.883 -5.337 1.00 1.00 C ATOM 16 CG ASP A 2 -8.242 7.184 -6.692 1.00 1.00 C ATOM 17 OD1 ASP A 2 -8.169 5.950 -6.783 1.00 1.00 O ATOM 18 OD2 ASP A 2 -8.428 7.972 -7.696 1.00 1.00 O ATOM 0 H ASP A 2 -10.157 9.258 -4.845 1.00 1.00 H new ATOM 0 HA ASP A 2 -9.719 6.620 -4.661 1.00 1.00 H new ATOM 0 HB2 ASP A 2 -8.161 8.960 -5.495 1.00 1.00 H new ATOM 0 HB3 ASP A 2 -7.126 7.666 -4.926 1.00 1.00 H new ATOM 24 N ASP A 3 -8.030 8.253 -2.320 1.00 1.00 N ATOM 25 CA ASP A 3 -7.333 8.116 -1.053 1.00 1.00 C ATOM 26 C ASP A 3 -8.011 7.027 -0.218 1.00 1.00 C ATOM 27 O ASP A 3 -9.125 7.217 0.269 1.00 1.00 O ATOM 28 CB ASP A 3 -7.378 9.420 -0.255 1.00 1.00 C ATOM 29 CG ASP A 3 -6.494 9.446 0.993 1.00 1.00 C ATOM 30 OD1 ASP A 3 -6.334 8.429 1.684 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.948 10.587 1.250 1.00 1.00 O ATOM 0 H ASP A 3 -8.157 9.215 -2.635 1.00 1.00 H new ATOM 0 HA ASP A 3 -6.295 7.859 -1.266 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -7.080 10.239 -0.910 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -8.409 9.610 0.044 1.00 1.00 H new ATOM 37 N ILE A 4 -7.312 5.911 -0.078 1.00 1.00 N ATOM 38 CA ILE A 4 -7.832 4.793 0.689 1.00 1.00 C ATOM 39 C ILE A 4 -7.105 4.719 2.033 1.00 1.00 C ATOM 40 O ILE A 4 -5.983 4.221 2.110 1.00 1.00 O ATOM 41 CB ILE A 4 -7.751 3.500 -0.125 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.979 3.339 -1.023 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.545 2.289 0.787 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.915 2.029 -1.810 1.00 1.00 C ATOM 0 H ILE A 4 -6.389 5.757 -0.483 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.890 4.940 0.906 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.881 3.562 -0.778 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.883 3.358 -0.415 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -9.041 4.180 -1.714 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.491 1.383 0.183 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.617 2.408 1.346 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.380 2.211 1.483 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.800 1.940 -2.440 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -8.022 2.023 -2.435 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.877 1.189 -1.116 1.00 1.00 H new ATOM 56 N VAL A 5 -7.774 5.224 3.060 1.00 1.00 N ATOM 57 CA VAL A 5 -7.206 5.222 4.397 1.00 1.00 C ATOM 58 C VAL A 5 -7.411 3.845 5.032 1.00 1.00 C ATOM 59 O VAL A 5 -8.533 3.344 5.087 1.00 1.00 O ATOM 60 CB VAL A 5 -7.811 6.358 5.225 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.979 6.624 6.481 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.958 7.629 4.386 1.00 1.00 C ATOM 0 H VAL A 5 -8.704 5.637 2.992 1.00 1.00 H new ATOM 0 HA VAL A 5 -6.132 5.404 4.355 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.807 6.048 5.542 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.431 7.436 7.051 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.948 5.723 7.094 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.965 6.903 6.194 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -8.390 8.421 4.998 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.978 7.943 4.026 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -8.611 7.430 3.536 1.00 1.00 H new ATOM 72 N LEU A 6 -6.310 3.272 5.496 1.00 1.00 N ATOM 73 CA LEU A 6 -6.355 1.963 6.124 1.00 1.00 C ATOM 74 C LEU A 6 -6.438 2.134 7.642 1.00 1.00 C ATOM 75 O LEU A 6 -5.891 3.088 8.194 1.00 1.00 O ATOM 76 CB LEU A 6 -5.172 1.108 5.666 1.00 1.00 C ATOM 77 CG LEU A 6 -5.165 0.711 4.188 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.779 0.225 3.758 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.253 -0.324 3.893 1.00 1.00 C ATOM 0 H LEU A 6 -5.381 3.691 5.449 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.249 1.422 5.814 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.252 1.651 5.880 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.152 0.198 6.266 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.394 1.596 3.595 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.801 -0.051 2.704 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -3.051 1.022 3.909 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.496 -0.643 4.354 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.226 -0.589 2.836 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -6.080 -1.216 4.495 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.229 0.095 4.138 1.00 1.00 H new ATOM 91 N LYS A 7 -7.126 1.195 8.275 1.00 1.00 N ATOM 92 CA LYS A 7 -7.288 1.230 9.718 1.00 1.00 C ATOM 93 C LYS A 7 -5.981 0.797 10.384 1.00 1.00 C ATOM 94 O LYS A 7 -5.489 -0.303 10.137 1.00 1.00 O ATOM 95 CB LYS A 7 -8.500 0.397 10.142 1.00 1.00 C ATOM 96 CG LYS A 7 -9.765 0.863 9.419 1.00 1.00 C ATOM 97 CD LYS A 7 -10.909 1.092 10.409 1.00 1.00 C ATOM 98 CE LYS A 7 -12.218 0.501 9.881 1.00 1.00 C ATOM 99 NZ LYS A 7 -13.375 1.279 10.378 1.00 1.00 N ATOM 0 H LYS A 7 -7.578 0.405 7.814 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.496 2.246 10.053 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.318 -0.655 9.922 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.642 0.477 11.220 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.559 1.785 8.876 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.062 0.118 8.681 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.661 0.637 11.368 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -11.033 2.160 10.586 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.212 0.504 8.791 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -12.308 -0.538 10.197 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -14.255 0.865 10.011 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -13.389 1.255 11.418 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -13.295 2.264 10.055 1.00 1.00 H new ATOM 112 N ALA A 8 -5.455 1.684 11.217 1.00 1.00 N ATOM 113 CA ALA A 8 -4.215 1.406 11.920 1.00 1.00 C ATOM 114 C ALA A 8 -4.059 2.393 13.079 1.00 1.00 C ATOM 115 O ALA A 8 -3.803 3.576 12.861 1.00 1.00 O ATOM 116 CB ALA A 8 -3.044 1.473 10.936 1.00 1.00 C ATOM 0 H ALA A 8 -5.866 2.595 11.420 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.230 0.401 12.342 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -2.113 1.264 11.463 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.188 0.734 10.148 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.996 2.469 10.495 1.00 1.00 H new ATOM 122 N LYS A 9 -4.221 1.870 14.285 1.00 1.00 N ATOM 123 CA LYS A 9 -4.102 2.690 15.479 1.00 1.00 C ATOM 124 C LYS A 9 -2.649 3.140 15.640 1.00 1.00 C ATOM 125 O LYS A 9 -2.353 4.013 16.454 1.00 1.00 O ATOM 126 CB LYS A 9 -4.654 1.946 16.697 1.00 1.00 C ATOM 127 CG LYS A 9 -3.675 0.871 17.173 1.00 1.00 C ATOM 128 CD LYS A 9 -3.258 1.113 18.625 1.00 1.00 C ATOM 129 CE LYS A 9 -2.103 0.192 19.024 1.00 1.00 C ATOM 130 NZ LYS A 9 -1.291 0.812 20.094 1.00 1.00 N ATOM 0 H LYS A 9 -4.434 0.888 14.461 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.707 3.592 15.384 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.844 2.653 17.504 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -5.610 1.487 16.445 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -4.137 -0.112 17.083 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -2.793 0.869 16.533 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -2.959 2.153 18.753 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -4.109 0.942 19.285 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -2.495 -0.766 19.366 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -1.476 -0.012 18.156 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -0.512 0.174 20.353 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -0.901 1.715 19.755 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -1.889 0.984 20.928 1.00 1.00 H new ATOM 143 N ASN A 10 -1.781 2.524 14.851 1.00 1.00 N ATOM 144 CA ASN A 10 -0.366 2.852 14.895 1.00 1.00 C ATOM 145 C ASN A 10 -0.090 4.032 13.963 1.00 1.00 C ATOM 146 O ASN A 10 1.051 4.472 13.834 1.00 1.00 O ATOM 147 CB ASN A 10 0.487 1.671 14.428 1.00 1.00 C ATOM 148 CG ASN A 10 0.337 0.477 15.374 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.621 -0.277 15.316 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.333 0.349 16.245 1.00 1.00 N ATOM 0 H ASN A 10 -2.030 1.800 14.178 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.109 3.098 15.925 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.191 1.380 13.420 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.534 1.971 14.379 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.325 -0.416 16.919 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.105 1.016 16.239 1.00 1.00 H new ATOM 157 N GLY A 11 -1.155 4.512 13.337 1.00 1.00 N ATOM 158 CA GLY A 11 -1.041 5.634 12.420 1.00 1.00 C ATOM 159 C GLY A 11 -1.549 5.256 11.027 1.00 1.00 C ATOM 160 O GLY A 11 -0.934 4.446 10.335 1.00 1.00 O ATOM 0 H GLY A 11 -2.100 4.145 13.447 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.612 6.480 12.802 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -0.001 5.953 12.358 1.00 1.00 H new ATOM 164 N ASP A 12 -2.668 5.862 10.656 1.00 1.00 N ATOM 165 CA ASP A 12 -3.266 5.599 9.358 1.00 1.00 C ATOM 166 C ASP A 12 -2.168 5.566 8.293 1.00 1.00 C ATOM 167 O ASP A 12 -1.114 6.177 8.464 1.00 1.00 O ATOM 168 CB ASP A 12 -4.261 6.698 8.978 1.00 1.00 C ATOM 169 CG ASP A 12 -5.734 6.331 9.170 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.080 5.156 9.363 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.555 7.325 9.115 1.00 1.00 O ATOM 0 H ASP A 12 -3.176 6.534 11.231 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.788 4.644 9.414 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.043 7.586 9.572 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.102 6.966 7.933 1.00 1.00 H new ATOM 177 N VAL A 13 -2.454 4.848 7.217 1.00 1.00 N ATOM 178 CA VAL A 13 -1.504 4.727 6.124 1.00 1.00 C ATOM 179 C VAL A 13 -2.164 5.198 4.826 1.00 1.00 C ATOM 180 O VAL A 13 -2.660 4.384 4.048 1.00 1.00 O ATOM 181 CB VAL A 13 -0.979 3.292 6.042 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.108 3.166 4.973 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.468 2.817 7.404 1.00 1.00 C ATOM 0 H VAL A 13 -3.330 4.344 7.079 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.638 5.365 6.299 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.809 2.647 5.752 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.464 2.136 4.935 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.303 3.444 4.002 1.00 1.00 H new ATOM 0 HG13 VAL A 13 0.938 3.828 5.219 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.101 1.794 7.318 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.342 3.467 7.736 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.281 2.851 8.130 1.00 1.00 H new ATOM 193 N LYS A 14 -2.148 6.508 4.633 1.00 1.00 N ATOM 194 CA LYS A 14 -2.739 7.096 3.443 1.00 1.00 C ATOM 195 C LYS A 14 -2.047 6.529 2.201 1.00 1.00 C ATOM 196 O LYS A 14 -0.867 6.788 1.971 1.00 1.00 O ATOM 197 CB LYS A 14 -2.700 8.624 3.524 1.00 1.00 C ATOM 198 CG LYS A 14 -3.016 9.253 2.165 1.00 1.00 C ATOM 199 CD LYS A 14 -2.063 10.411 1.863 1.00 1.00 C ATOM 200 CE LYS A 14 -1.023 10.007 0.817 1.00 1.00 C ATOM 201 NZ LYS A 14 0.335 10.396 1.258 1.00 1.00 N ATOM 0 H LYS A 14 -1.735 7.179 5.281 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.794 6.830 3.371 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.420 8.971 4.266 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.715 8.949 3.859 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.936 8.498 1.383 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -4.045 9.612 2.157 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.631 11.269 1.504 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -1.561 10.722 2.779 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -1.064 8.930 0.652 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -1.253 10.484 -0.136 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 1.028 10.114 0.536 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 0.374 11.427 1.392 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.558 9.921 2.156 1.00 1.00 H new ATOM 214 N LEU A 15 -2.811 5.765 1.435 1.00 1.00 N ATOM 215 CA LEU A 15 -2.286 5.158 0.223 1.00 1.00 C ATOM 216 C LEU A 15 -2.873 5.874 -0.996 1.00 1.00 C ATOM 217 O LEU A 15 -4.030 5.690 -1.366 1.00 1.00 O ATOM 218 CB LEU A 15 -2.535 3.649 0.228 1.00 1.00 C ATOM 219 CG LEU A 15 -2.533 2.964 -1.140 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.145 2.418 -1.478 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.609 1.878 -1.211 1.00 1.00 C ATOM 0 H LEU A 15 -3.789 5.552 1.630 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.204 5.279 0.174 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.774 3.177 0.849 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.497 3.461 0.705 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.778 3.710 -1.896 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.172 1.936 -2.455 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.426 3.237 -1.497 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.846 1.691 -0.723 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.586 1.407 -2.194 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.419 1.127 -0.444 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.589 2.326 -1.046 1.00 1.00 H new ATOM 233 N PRO A 16 -2.036 6.707 -1.618 1.00 1.00 N ATOM 234 CA PRO A 16 -2.378 7.484 -2.790 1.00 1.00 C ATOM 235 C PRO A 16 -2.806 6.551 -3.914 1.00 1.00 C ATOM 236 O PRO A 16 -2.121 6.496 -4.933 1.00 1.00 O ATOM 237 CB PRO A 16 -1.096 8.228 -3.155 1.00 1.00 C ATOM 238 CG PRO A 16 -0.256 8.221 -1.943 1.00 1.00 C ATOM 239 CD PRO A 16 -0.669 6.947 -1.209 1.00 1.00 C ATOM 0 HA PRO A 16 -3.205 8.173 -2.616 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.586 7.740 -3.985 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -1.315 9.248 -3.471 1.00 1.00 H new ATOM 0 HG2 PRO A 16 0.805 8.210 -2.194 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.430 9.107 -1.332 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -0.024 6.110 -1.477 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.596 7.072 -0.129 1.00 1.00 H new ATOM 247 N HIS A 17 -3.910 5.846 -3.712 1.00 1.00 N ATOM 248 CA HIS A 17 -4.404 4.924 -4.721 1.00 1.00 C ATOM 249 C HIS A 17 -4.246 5.550 -6.109 1.00 1.00 C ATOM 250 O HIS A 17 -3.637 4.955 -6.996 1.00 1.00 O ATOM 251 CB HIS A 17 -5.845 4.509 -4.419 1.00 1.00 C ATOM 252 CG HIS A 17 -6.331 3.337 -5.238 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.283 3.463 -6.235 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.987 2.018 -5.199 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.495 2.267 -6.764 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.691 1.372 -6.120 1.00 1.00 N ATOM 0 H HIS A 17 -4.476 5.895 -2.865 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.812 4.009 -4.703 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.926 4.258 -3.361 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.502 5.360 -4.596 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -7.743 4.329 -6.515 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.264 1.574 -4.531 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.183 2.040 -7.565 1.00 1.00 H new ATOM 264 N LYS A 18 -4.806 6.742 -6.252 1.00 1.00 N ATOM 265 CA LYS A 18 -4.735 7.455 -7.516 1.00 1.00 C ATOM 266 C LYS A 18 -3.277 7.531 -7.973 1.00 1.00 C ATOM 267 O LYS A 18 -2.940 7.075 -9.064 1.00 1.00 O ATOM 268 CB LYS A 18 -5.416 8.821 -7.400 1.00 1.00 C ATOM 269 CG LYS A 18 -5.452 9.533 -8.754 1.00 1.00 C ATOM 270 CD LYS A 18 -6.491 8.897 -9.680 1.00 1.00 C ATOM 271 CE LYS A 18 -6.231 9.279 -11.138 1.00 1.00 C ATOM 272 NZ LYS A 18 -5.684 8.125 -11.887 1.00 1.00 N ATOM 0 H LYS A 18 -5.311 7.232 -5.514 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.283 6.916 -8.289 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.431 8.694 -7.025 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.883 9.437 -6.675 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.686 10.587 -8.608 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -4.468 9.487 -9.220 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -6.463 7.813 -9.574 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -7.490 9.220 -9.388 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.158 9.615 -11.603 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -5.531 10.113 -11.182 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -5.513 8.402 -12.875 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -4.789 7.822 -11.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -6.365 7.339 -11.860 1.00 1.00 H new ATOM 285 N ALA A 19 -2.451 8.112 -7.115 1.00 1.00 N ATOM 286 CA ALA A 19 -1.037 8.254 -7.417 1.00 1.00 C ATOM 287 C ALA A 19 -0.456 6.884 -7.772 1.00 1.00 C ATOM 288 O ALA A 19 0.215 6.736 -8.792 1.00 1.00 O ATOM 289 CB ALA A 19 -0.323 8.899 -6.227 1.00 1.00 C ATOM 0 H ALA A 19 -2.734 8.490 -6.211 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.892 8.907 -8.278 1.00 1.00 H new ATOM 0 HB1 ALA A 19 0.738 9.006 -6.453 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.753 9.882 -6.034 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.444 8.270 -5.345 1.00 1.00 H new ATOM 295 N HIS A 20 -0.735 5.917 -6.910 1.00 1.00 N ATOM 296 CA HIS A 20 -0.248 4.564 -7.121 1.00 1.00 C ATOM 297 C HIS A 20 -0.815 4.012 -8.430 1.00 1.00 C ATOM 298 O HIS A 20 -0.201 3.155 -9.064 1.00 1.00 O ATOM 299 CB HIS A 20 -0.570 3.677 -5.916 1.00 1.00 C ATOM 300 CG HIS A 20 0.469 3.726 -4.822 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.518 4.738 -3.879 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.497 2.878 -4.531 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.534 4.500 -3.062 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.140 3.347 -3.468 1.00 1.00 N ATOM 0 H HIS A 20 -1.292 6.043 -6.065 1.00 1.00 H new ATOM 0 HA HIS A 20 0.838 4.575 -7.212 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.532 3.979 -5.503 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.678 2.647 -6.255 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.120 5.532 -3.822 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.746 1.978 -5.073 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.830 5.111 -2.222 1.00 1.00 H new ATOM 312 N GLN A 21 -1.979 4.527 -8.798 1.00 1.00 N ATOM 313 CA GLN A 21 -2.635 4.097 -10.021 1.00 1.00 C ATOM 314 C GLN A 21 -1.947 4.718 -11.238 1.00 1.00 C ATOM 315 O GLN A 21 -2.275 4.386 -12.377 1.00 1.00 O ATOM 316 CB GLN A 21 -4.125 4.445 -9.995 1.00 1.00 C ATOM 317 CG GLN A 21 -4.911 3.427 -9.167 1.00 1.00 C ATOM 318 CD GLN A 21 -6.259 4.002 -8.728 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.340 4.966 -7.983 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.311 3.360 -9.229 1.00 1.00 N ATOM 0 H GLN A 21 -2.485 5.238 -8.270 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.551 3.013 -10.095 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.262 5.442 -9.577 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.514 4.470 -11.013 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -5.071 2.522 -9.753 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.331 3.140 -8.290 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -7.174 2.560 -9.847 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.255 3.668 -8.995 1.00 1.00 H new ATOM 329 N LYS A 22 -1.007 5.608 -10.957 1.00 1.00 N ATOM 330 CA LYS A 22 -0.271 6.279 -12.015 1.00 1.00 C ATOM 331 C LYS A 22 1.176 5.781 -12.018 1.00 1.00 C ATOM 332 O LYS A 22 1.756 5.554 -13.079 1.00 1.00 O ATOM 333 CB LYS A 22 -0.399 7.797 -11.878 1.00 1.00 C ATOM 334 CG LYS A 22 0.274 8.512 -13.051 1.00 1.00 C ATOM 335 CD LYS A 22 1.715 8.896 -12.706 1.00 1.00 C ATOM 336 CE LYS A 22 2.455 9.415 -13.940 1.00 1.00 C ATOM 337 NZ LYS A 22 3.654 10.185 -13.540 1.00 1.00 N ATOM 0 H LYS A 22 -0.738 5.880 -10.012 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.695 6.034 -12.989 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.452 8.074 -11.834 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.055 8.121 -10.941 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.266 7.865 -13.928 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -0.293 9.407 -13.310 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.715 9.661 -11.929 1.00 1.00 H new ATOM 0 HD3 LYS A 22 2.239 8.030 -12.301 1.00 1.00 H new ATOM 0 HE2 LYS A 22 2.748 8.578 -14.574 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.791 10.046 -14.531 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 4.144 10.530 -14.390 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 3.367 10.994 -12.953 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 4.294 9.572 -12.995 1.00 1.00 H new ATOM 350 N ALA A 23 1.717 5.626 -10.819 1.00 1.00 N ATOM 351 CA ALA A 23 3.085 5.160 -10.669 1.00 1.00 C ATOM 352 C ALA A 23 3.164 3.686 -11.072 1.00 1.00 C ATOM 353 O ALA A 23 4.186 3.232 -11.585 1.00 1.00 O ATOM 354 CB ALA A 23 3.552 5.397 -9.232 1.00 1.00 C ATOM 0 H ALA A 23 1.232 5.815 -9.942 1.00 1.00 H new ATOM 0 HA ALA A 23 3.754 5.718 -11.324 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.578 5.047 -9.121 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.505 6.462 -9.005 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.906 4.851 -8.545 1.00 1.00 H new ATOM 360 N VAL A 24 2.071 2.979 -10.826 1.00 1.00 N ATOM 361 CA VAL A 24 2.003 1.566 -11.157 1.00 1.00 C ATOM 362 C VAL A 24 1.014 1.362 -12.306 1.00 1.00 C ATOM 363 O VAL A 24 -0.186 1.181 -12.111 1.00 1.00 O ATOM 364 CB VAL A 24 1.646 0.753 -9.910 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.200 -0.661 -10.287 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.818 0.715 -8.927 1.00 1.00 C ATOM 0 H VAL A 24 1.225 3.359 -10.401 1.00 1.00 H new ATOM 0 HA VAL A 24 2.974 1.207 -11.497 1.00 1.00 H new ATOM 0 HB VAL A 24 0.810 1.247 -9.415 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.952 -1.217 -9.383 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.323 -0.606 -10.931 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.007 -1.168 -10.816 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.538 0.131 -8.050 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.682 0.256 -9.408 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.070 1.731 -8.622 1.00 1.00 H new ATOM 376 N PRO A 25 1.553 1.397 -13.527 1.00 1.00 N ATOM 377 CA PRO A 25 0.805 1.227 -14.754 1.00 1.00 C ATOM 378 C PRO A 25 0.458 -0.244 -14.941 1.00 1.00 C ATOM 379 O PRO A 25 0.703 -0.779 -16.021 1.00 1.00 O ATOM 380 CB PRO A 25 1.744 1.712 -15.856 1.00 1.00 C ATOM 381 CG PRO A 25 3.093 1.504 -15.311 1.00 1.00 C ATOM 382 CD PRO A 25 2.959 1.608 -13.793 1.00 1.00 C ATOM 0 HA PRO A 25 -0.135 1.779 -14.758 1.00 1.00 H new ATOM 0 HB2 PRO A 25 1.598 1.149 -16.778 1.00 1.00 H new ATOM 0 HB3 PRO A 25 1.569 2.762 -16.092 1.00 1.00 H new ATOM 0 HG2 PRO A 25 3.484 0.529 -15.602 1.00 1.00 H new ATOM 0 HG3 PRO A 25 3.787 2.253 -15.693 1.00 1.00 H new ATOM 0 HD2 PRO A 25 3.573 0.860 -13.290 1.00 1.00 H new ATOM 0 HD3 PRO A 25 3.287 2.583 -13.434 1.00 1.00 H new ATOM 390 N ASP A 26 -0.093 -0.860 -13.906 1.00 1.00 N ATOM 391 CA ASP A 26 -0.460 -2.264 -13.980 1.00 1.00 C ATOM 392 C ASP A 26 -1.326 -2.625 -12.771 1.00 1.00 C ATOM 393 O ASP A 26 -0.818 -3.117 -11.764 1.00 1.00 O ATOM 394 CB ASP A 26 0.780 -3.160 -13.957 1.00 1.00 C ATOM 395 CG ASP A 26 1.995 -2.602 -14.702 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.884 -1.982 -14.099 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.007 -2.828 -15.972 1.00 1.00 O ATOM 0 H ASP A 26 -0.294 -0.413 -13.012 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.002 -2.422 -14.913 1.00 1.00 H new ATOM 0 HB2 ASP A 26 1.060 -3.340 -12.919 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.520 -4.126 -14.389 1.00 1.00 H new ATOM 403 N CYS A 27 -2.618 -2.365 -12.910 1.00 1.00 N ATOM 404 CA CYS A 27 -3.559 -2.656 -11.842 1.00 1.00 C ATOM 405 C CYS A 27 -3.702 -4.175 -11.729 1.00 1.00 C ATOM 406 O CYS A 27 -4.791 -4.715 -11.922 1.00 1.00 O ATOM 407 CB CYS A 27 -4.907 -1.971 -12.073 1.00 1.00 C ATOM 408 SG CYS A 27 -4.813 -0.370 -12.955 1.00 1.00 S ATOM 0 H CYS A 27 -3.035 -1.956 -13.746 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.180 -2.257 -10.901 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.549 -2.645 -12.640 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.387 -1.810 -11.108 1.00 1.00 H new ATOM 413 N LYS A 28 -2.589 -4.821 -11.417 1.00 1.00 N ATOM 414 CA LYS A 28 -2.577 -6.268 -11.276 1.00 1.00 C ATOM 415 C LYS A 28 -1.645 -6.656 -10.127 1.00 1.00 C ATOM 416 O LYS A 28 -2.037 -7.400 -9.229 1.00 1.00 O ATOM 417 CB LYS A 28 -2.222 -6.933 -12.607 1.00 1.00 C ATOM 418 CG LYS A 28 -1.284 -6.047 -13.430 1.00 1.00 C ATOM 419 CD LYS A 28 -0.863 -6.748 -14.723 1.00 1.00 C ATOM 420 CE LYS A 28 0.208 -7.806 -14.449 1.00 1.00 C ATOM 421 NZ LYS A 28 1.496 -7.412 -15.062 1.00 1.00 N ATOM 0 H LYS A 28 -1.688 -4.370 -11.258 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.571 -6.634 -11.018 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.748 -7.897 -12.421 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.132 -7.130 -13.173 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.781 -5.106 -13.667 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.400 -5.801 -12.841 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -1.731 -7.216 -15.187 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -0.481 -6.013 -15.431 1.00 1.00 H new ATOM 0 HE2 LYS A 28 0.334 -7.934 -13.374 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -0.112 -8.768 -14.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 2.211 -8.141 -14.866 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 1.375 -7.313 -16.090 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 1.808 -6.505 -14.661 1.00 1.00 H new ATOM 434 N LYS A 29 -0.428 -6.136 -10.192 1.00 1.00 N ATOM 435 CA LYS A 29 0.563 -6.419 -9.168 1.00 1.00 C ATOM 436 C LYS A 29 -0.032 -6.118 -7.791 1.00 1.00 C ATOM 437 O LYS A 29 0.445 -6.630 -6.780 1.00 1.00 O ATOM 438 CB LYS A 29 1.862 -5.662 -9.455 1.00 1.00 C ATOM 439 CG LYS A 29 2.828 -5.762 -8.273 1.00 1.00 C ATOM 440 CD LYS A 29 3.478 -7.146 -8.212 1.00 1.00 C ATOM 441 CE LYS A 29 4.971 -7.036 -7.895 1.00 1.00 C ATOM 442 NZ LYS A 29 5.780 -7.440 -9.067 1.00 1.00 N ATOM 0 H LYS A 29 -0.106 -5.520 -10.938 1.00 1.00 H new ATOM 0 HA LYS A 29 0.828 -7.476 -9.177 1.00 1.00 H new ATOM 0 HB2 LYS A 29 2.334 -6.068 -10.350 1.00 1.00 H new ATOM 0 HB3 LYS A 29 1.639 -4.615 -9.659 1.00 1.00 H new ATOM 0 HG2 LYS A 29 3.600 -4.998 -8.364 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.293 -5.566 -7.344 1.00 1.00 H new ATOM 0 HD2 LYS A 29 2.984 -7.751 -7.451 1.00 1.00 H new ATOM 0 HD3 LYS A 29 3.341 -7.658 -9.164 1.00 1.00 H new ATOM 0 HE2 LYS A 29 5.215 -6.012 -7.613 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.215 -7.668 -7.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.791 -7.360 -8.835 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.560 -8.425 -9.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.559 -6.820 -9.872 1.00 1.00 H new ATOM 455 N CYS A 30 -1.065 -5.288 -7.797 1.00 1.00 N ATOM 456 CA CYS A 30 -1.730 -4.913 -6.561 1.00 1.00 C ATOM 457 C CYS A 30 -3.079 -5.633 -6.503 1.00 1.00 C ATOM 458 O CYS A 30 -3.556 -5.981 -5.424 1.00 1.00 O ATOM 459 CB CYS A 30 -1.888 -3.396 -6.441 1.00 1.00 C ATOM 460 SG CYS A 30 -0.629 -2.725 -5.295 1.00 1.00 S ATOM 0 H CYS A 30 -1.457 -4.865 -8.638 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.120 -5.217 -5.711 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.783 -2.932 -7.422 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.887 -3.154 -6.079 1.00 1.00 H new ATOM 465 N HIS A 31 -3.656 -5.836 -7.679 1.00 1.00 N ATOM 466 CA HIS A 31 -4.940 -6.509 -7.776 1.00 1.00 C ATOM 467 C HIS A 31 -4.762 -7.856 -8.479 1.00 1.00 C ATOM 468 O HIS A 31 -4.621 -7.909 -9.700 1.00 1.00 O ATOM 469 CB HIS A 31 -5.972 -5.613 -8.464 1.00 1.00 C ATOM 470 CG HIS A 31 -6.376 -4.405 -7.652 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.119 -4.499 -6.488 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.131 -3.078 -7.846 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.308 -3.276 -6.013 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.695 -2.397 -6.857 1.00 1.00 N ATOM 0 H HIS A 31 -3.258 -5.546 -8.572 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.326 -6.709 -6.777 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.567 -5.277 -9.419 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.861 -6.204 -8.685 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.463 -5.362 -6.067 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.572 -2.653 -8.666 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.852 -3.020 -5.116 1.00 1.00 H new ATOM 482 N GLU A 32 -4.775 -8.911 -7.678 1.00 1.00 N ATOM 483 CA GLU A 32 -4.617 -10.255 -8.208 1.00 1.00 C ATOM 484 C GLU A 32 -5.877 -10.678 -8.965 1.00 1.00 C ATOM 485 O GLU A 32 -6.079 -10.282 -10.112 1.00 1.00 O ATOM 486 CB GLU A 32 -4.287 -11.249 -7.093 1.00 1.00 C ATOM 487 CG GLU A 32 -5.068 -10.922 -5.818 1.00 1.00 C ATOM 488 CD GLU A 32 -4.212 -10.112 -4.843 1.00 1.00 C ATOM 489 OE1 GLU A 32 -3.041 -10.451 -4.617 1.00 1.00 O ATOM 490 OE2 GLU A 32 -4.804 -9.097 -4.311 1.00 1.00 O ATOM 0 H GLU A 32 -4.892 -8.863 -6.666 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.780 -10.253 -8.907 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -4.526 -12.261 -7.421 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -3.217 -11.225 -6.885 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -5.967 -10.360 -6.072 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -5.394 -11.846 -5.340 1.00 1.00 H new ATOM 498 N LYS A 33 -6.692 -11.478 -8.293 1.00 1.00 N ATOM 499 CA LYS A 33 -7.927 -11.960 -8.889 1.00 1.00 C ATOM 500 C LYS A 33 -8.548 -10.847 -9.734 1.00 1.00 C ATOM 501 O LYS A 33 -9.204 -11.118 -10.739 1.00 1.00 O ATOM 502 CB LYS A 33 -8.863 -12.509 -7.810 1.00 1.00 C ATOM 503 CG LYS A 33 -8.339 -13.834 -7.252 1.00 1.00 C ATOM 504 CD LYS A 33 -7.519 -13.607 -5.981 1.00 1.00 C ATOM 505 CE LYS A 33 -8.151 -14.322 -4.785 1.00 1.00 C ATOM 506 NZ LYS A 33 -9.010 -13.391 -4.019 1.00 1.00 N ATOM 0 H LYS A 33 -6.521 -11.805 -7.342 1.00 1.00 H new ATOM 0 HA LYS A 33 -7.727 -12.795 -9.560 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -8.959 -11.783 -7.003 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -9.859 -12.655 -8.228 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -9.176 -14.498 -7.035 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -7.724 -14.331 -8.002 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -6.502 -13.970 -6.130 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -7.449 -12.539 -5.775 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -8.742 -15.170 -5.131 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -7.370 -14.721 -4.138 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -9.431 -13.892 -3.211 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -8.437 -12.595 -3.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -9.766 -13.030 -4.635 1.00 1.00 H new ATOM 519 N GLY A 34 -8.320 -9.617 -9.296 1.00 1.00 N ATOM 520 CA GLY A 34 -8.849 -8.462 -10.000 1.00 1.00 C ATOM 521 C GLY A 34 -8.953 -7.252 -9.069 1.00 1.00 C ATOM 522 O GLY A 34 -8.681 -7.325 -7.873 1.00 1.00 O ATOM 0 H GLY A 34 -7.776 -9.396 -8.462 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.205 -8.220 -10.845 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.833 -8.698 -10.406 1.00 1.00 H new ATOM 526 N PRO A 35 -9.358 -6.123 -9.654 1.00 1.00 N ATOM 527 CA PRO A 35 -9.527 -4.862 -8.965 1.00 1.00 C ATOM 528 C PRO A 35 -10.603 -5.004 -7.897 1.00 1.00 C ATOM 529 O PRO A 35 -11.700 -5.459 -8.217 1.00 1.00 O ATOM 530 CB PRO A 35 -9.959 -3.877 -10.049 1.00 1.00 C ATOM 531 CG PRO A 35 -10.582 -4.769 -11.150 1.00 1.00 C ATOM 532 CD PRO A 35 -9.686 -6.002 -11.058 1.00 1.00 C ATOM 0 HA PRO A 35 -8.620 -4.529 -8.461 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.681 -3.155 -9.666 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.111 -3.308 -10.430 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -11.628 -5.002 -10.951 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -10.542 -4.301 -12.134 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.201 -6.892 -11.421 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.788 -5.883 -11.664 1.00 1.00 H new ATOM 540 N GLY A 36 -10.277 -4.622 -6.671 1.00 1.00 N ATOM 541 CA GLY A 36 -11.231 -4.718 -5.579 1.00 1.00 C ATOM 542 C GLY A 36 -10.559 -5.245 -4.309 1.00 1.00 C ATOM 543 O GLY A 36 -9.353 -5.484 -4.294 1.00 1.00 O ATOM 0 H GLY A 36 -9.366 -4.245 -6.410 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.666 -3.738 -5.384 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.049 -5.380 -5.863 1.00 1.00 H new ATOM 547 N LYS A 37 -11.370 -5.411 -3.275 1.00 1.00 N ATOM 548 CA LYS A 37 -10.870 -5.905 -2.003 1.00 1.00 C ATOM 549 C LYS A 37 -9.847 -7.014 -2.259 1.00 1.00 C ATOM 550 O LYS A 37 -9.988 -7.788 -3.205 1.00 1.00 O ATOM 551 CB LYS A 37 -12.029 -6.334 -1.101 1.00 1.00 C ATOM 552 CG LYS A 37 -12.459 -5.190 -0.181 1.00 1.00 C ATOM 553 CD LYS A 37 -13.145 -5.727 1.077 1.00 1.00 C ATOM 554 CE LYS A 37 -13.978 -4.637 1.755 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.403 -5.031 1.806 1.00 1.00 N ATOM 0 H LYS A 37 -12.370 -5.212 -3.292 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.353 -5.112 -1.463 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -12.873 -6.650 -1.713 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -11.730 -7.194 -0.502 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -11.588 -4.598 0.100 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -13.138 -4.525 -0.714 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.786 -6.569 0.815 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -12.395 -6.102 1.773 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -13.606 -4.462 2.765 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.873 -3.699 1.210 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -15.954 -4.280 2.269 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -15.758 -5.175 0.839 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.500 -5.915 2.346 1.00 1.00 H new ATOM 568 N ILE A 38 -8.840 -7.057 -1.399 1.00 1.00 N ATOM 569 CA ILE A 38 -7.795 -8.058 -1.520 1.00 1.00 C ATOM 570 C ILE A 38 -7.894 -9.038 -0.348 1.00 1.00 C ATOM 571 O ILE A 38 -7.978 -8.623 0.807 1.00 1.00 O ATOM 572 CB ILE A 38 -6.424 -7.390 -1.648 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.427 -6.343 -2.764 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.321 -8.432 -1.841 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.186 -5.452 -2.683 1.00 1.00 C ATOM 0 H ILE A 38 -8.726 -6.414 -0.615 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.928 -8.638 -2.433 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.211 -6.867 -0.716 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.460 -6.840 -3.734 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.325 -5.730 -2.690 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.358 -7.930 -1.929 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.302 -9.105 -0.984 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.516 -9.005 -2.748 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.213 -4.717 -3.487 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.169 -4.938 -1.722 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.291 -6.066 -2.782 1.00 1.00 H new ATOM 587 N GLU A 39 -7.882 -10.318 -0.687 1.00 1.00 N ATOM 588 CA GLU A 39 -7.970 -11.360 0.323 1.00 1.00 C ATOM 589 C GLU A 39 -6.570 -11.828 0.725 1.00 1.00 C ATOM 590 O GLU A 39 -5.811 -12.318 -0.110 1.00 1.00 O ATOM 591 CB GLU A 39 -8.819 -12.533 -0.172 1.00 1.00 C ATOM 592 CG GLU A 39 -10.045 -12.736 0.721 1.00 1.00 C ATOM 593 CD GLU A 39 -9.693 -13.574 1.952 1.00 1.00 C ATOM 594 OE1 GLU A 39 -9.286 -13.019 2.984 1.00 1.00 O ATOM 595 OE2 GLU A 39 -9.857 -14.846 1.812 1.00 1.00 O ATOM 0 H GLU A 39 -7.813 -10.658 -1.646 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.461 -10.945 1.204 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.138 -12.349 -1.198 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.218 -13.442 -0.184 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -10.435 -11.768 1.035 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.835 -13.229 0.154 1.00 1.00 H new ATOM 603 N GLY A 40 -6.270 -11.661 2.005 1.00 1.00 N ATOM 604 CA GLY A 40 -4.975 -12.061 2.529 1.00 1.00 C ATOM 605 C GLY A 40 -4.240 -10.868 3.143 1.00 1.00 C ATOM 606 O GLY A 40 -3.614 -10.994 4.195 1.00 1.00 O ATOM 0 H GLY A 40 -6.902 -11.254 2.695 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.108 -12.838 3.282 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.372 -12.492 1.729 1.00 1.00 H new ATOM 610 N PHE A 41 -4.341 -9.736 2.461 1.00 1.00 N ATOM 611 CA PHE A 41 -3.694 -8.521 2.927 1.00 1.00 C ATOM 612 C PHE A 41 -4.342 -8.015 4.217 1.00 1.00 C ATOM 613 O PHE A 41 -5.559 -7.842 4.278 1.00 1.00 O ATOM 614 CB PHE A 41 -3.876 -7.469 1.832 1.00 1.00 C ATOM 615 CG PHE A 41 -3.136 -6.157 2.100 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.610 -5.288 3.033 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.006 -5.859 1.405 1.00 1.00 C ATOM 618 CE1 PHE A 41 -2.923 -4.070 3.282 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.319 -4.642 1.654 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.792 -3.773 2.587 1.00 1.00 C ATOM 0 H PHE A 41 -4.861 -9.635 1.589 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.641 -8.716 3.133 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.530 -7.882 0.884 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.939 -7.258 1.719 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.508 -5.524 3.584 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.631 -6.549 0.663 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.299 -3.380 4.023 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.421 -4.406 1.103 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.270 -2.847 2.776 1.00 1.00 H new ATOM 630 N GLY A 42 -3.501 -7.791 5.216 1.00 1.00 N ATOM 631 CA GLY A 42 -3.977 -7.307 6.501 1.00 1.00 C ATOM 632 C GLY A 42 -2.881 -6.532 7.235 1.00 1.00 C ATOM 633 O GLY A 42 -3.144 -5.481 7.819 1.00 1.00 O ATOM 0 H GLY A 42 -2.493 -7.936 5.162 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -4.845 -6.664 6.353 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -4.304 -8.148 7.112 1.00 1.00 H new ATOM 637 N LYS A 43 -1.676 -7.080 7.182 1.00 1.00 N ATOM 638 CA LYS A 43 -0.539 -6.452 7.834 1.00 1.00 C ATOM 639 C LYS A 43 0.753 -6.943 7.180 1.00 1.00 C ATOM 640 O LYS A 43 1.332 -6.252 6.343 1.00 1.00 O ATOM 641 CB LYS A 43 -0.592 -6.688 9.345 1.00 1.00 C ATOM 642 CG LYS A 43 0.172 -5.596 10.097 1.00 1.00 C ATOM 643 CD LYS A 43 1.034 -6.198 11.209 1.00 1.00 C ATOM 644 CE LYS A 43 0.990 -5.329 12.467 1.00 1.00 C ATOM 645 NZ LYS A 43 1.186 -6.159 13.677 1.00 1.00 N ATOM 0 H LYS A 43 -1.462 -7.952 6.698 1.00 1.00 H new ATOM 0 HA LYS A 43 -0.572 -5.371 7.702 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -1.630 -6.706 9.678 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -0.165 -7.663 9.580 1.00 1.00 H new ATOM 0 HG2 LYS A 43 0.803 -5.044 9.401 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -0.532 -4.882 10.524 1.00 1.00 H new ATOM 0 HD2 LYS A 43 0.682 -7.202 11.444 1.00 1.00 H new ATOM 0 HD3 LYS A 43 2.064 -6.294 10.865 1.00 1.00 H new ATOM 0 HE2 LYS A 43 1.764 -4.563 12.415 1.00 1.00 H new ATOM 0 HE3 LYS A 43 0.033 -4.811 12.525 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 1.153 -5.554 14.522 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 0.433 -6.874 13.734 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 2.110 -6.634 13.627 1.00 1.00 H new ATOM 658 N GLU A 44 1.170 -8.134 7.587 1.00 1.00 N ATOM 659 CA GLU A 44 2.384 -8.725 7.050 1.00 1.00 C ATOM 660 C GLU A 44 2.573 -8.315 5.589 1.00 1.00 C ATOM 661 O GLU A 44 3.631 -7.810 5.214 1.00 1.00 O ATOM 662 CB GLU A 44 2.361 -10.248 7.194 1.00 1.00 C ATOM 663 CG GLU A 44 2.980 -10.924 5.969 1.00 1.00 C ATOM 664 CD GLU A 44 3.435 -12.347 6.298 1.00 1.00 C ATOM 665 OE1 GLU A 44 2.621 -13.281 6.265 1.00 1.00 O ATOM 666 OE2 GLU A 44 4.684 -12.465 6.597 1.00 1.00 O ATOM 0 H GLU A 44 0.689 -8.705 8.282 1.00 1.00 H new ATOM 0 HA GLU A 44 3.232 -8.351 7.624 1.00 1.00 H new ATOM 0 HB2 GLU A 44 2.908 -10.540 8.090 1.00 1.00 H new ATOM 0 HB3 GLU A 44 1.334 -10.589 7.322 1.00 1.00 H new ATOM 0 HG2 GLU A 44 2.253 -10.950 5.157 1.00 1.00 H new ATOM 0 HG3 GLU A 44 3.830 -10.339 5.617 1.00 1.00 H new ATOM 674 N MET A 45 1.533 -8.548 4.802 1.00 1.00 N ATOM 675 CA MET A 45 1.572 -8.209 3.390 1.00 1.00 C ATOM 676 C MET A 45 2.111 -6.792 3.181 1.00 1.00 C ATOM 677 O MET A 45 3.096 -6.598 2.471 1.00 1.00 O ATOM 678 CB MET A 45 0.163 -8.311 2.801 1.00 1.00 C ATOM 679 CG MET A 45 -0.239 -9.773 2.595 1.00 1.00 C ATOM 680 SD MET A 45 0.887 -10.562 1.457 1.00 1.00 S ATOM 681 CE MET A 45 0.868 -12.225 2.105 1.00 1.00 C ATOM 0 H MET A 45 0.658 -8.968 5.116 1.00 1.00 H new ATOM 0 HA MET A 45 2.238 -8.909 2.886 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.550 -7.824 3.467 1.00 1.00 H new ATOM 0 HB3 MET A 45 0.123 -7.781 1.849 1.00 1.00 H new ATOM 0 HG2 MET A 45 -0.232 -10.299 3.550 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.257 -9.828 2.209 1.00 1.00 H new ATOM 0 HE1 MET A 45 1.468 -12.872 1.465 1.00 1.00 H new ATOM 0 HE2 MET A 45 1.282 -12.227 3.113 1.00 1.00 H new ATOM 0 HE3 MET A 45 -0.158 -12.593 2.133 1.00 1.00 H new ATOM 691 N ALA A 46 1.440 -5.839 3.811 1.00 1.00 N ATOM 692 CA ALA A 46 1.840 -4.446 3.703 1.00 1.00 C ATOM 693 C ALA A 46 3.298 -4.303 4.142 1.00 1.00 C ATOM 694 O ALA A 46 4.073 -3.586 3.510 1.00 1.00 O ATOM 695 CB ALA A 46 0.893 -3.578 4.534 1.00 1.00 C ATOM 0 H ALA A 46 0.622 -6.004 4.398 1.00 1.00 H new ATOM 0 HA ALA A 46 1.772 -4.106 2.670 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.192 -2.533 4.454 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.126 -3.693 4.163 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.937 -3.889 5.578 1.00 1.00 H new ATOM 701 N HIS A 47 3.629 -4.997 5.221 1.00 1.00 N ATOM 702 CA HIS A 47 4.981 -4.956 5.752 1.00 1.00 C ATOM 703 C HIS A 47 5.896 -5.831 4.894 1.00 1.00 C ATOM 704 O HIS A 47 7.073 -6.001 5.208 1.00 1.00 O ATOM 705 CB HIS A 47 4.997 -5.352 7.230 1.00 1.00 C ATOM 706 CG HIS A 47 4.186 -4.439 8.119 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.361 -4.912 9.124 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.083 -3.079 8.144 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.791 -3.875 9.720 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.240 -2.740 9.111 1.00 1.00 N ATOM 0 H HIS A 47 2.984 -5.591 5.742 1.00 1.00 H new ATOM 0 HA HIS A 47 5.363 -3.936 5.705 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.617 -6.369 7.327 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.029 -5.362 7.582 1.00 1.00 H new ATOM 0 HD1 HIS A 47 3.216 -5.892 9.365 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.600 -2.394 7.488 1.00 1.00 H new ATOM 0 HE1 HIS A 47 2.093 -3.920 10.543 1.00 1.00 H new ATOM 718 N GLY A 48 5.320 -6.365 3.826 1.00 1.00 N ATOM 719 CA GLY A 48 6.069 -7.219 2.920 1.00 1.00 C ATOM 720 C GLY A 48 5.464 -7.192 1.515 1.00 1.00 C ATOM 721 O GLY A 48 5.126 -6.127 1.001 1.00 1.00 O ATOM 0 H GLY A 48 4.343 -6.222 3.568 1.00 1.00 H new ATOM 0 HA2 GLY A 48 7.107 -6.890 2.879 1.00 1.00 H new ATOM 0 HA3 GLY A 48 6.073 -8.241 3.298 1.00 1.00 H new ATOM 725 N LYS A 49 5.345 -8.377 0.934 1.00 1.00 N ATOM 726 CA LYS A 49 4.786 -8.503 -0.401 1.00 1.00 C ATOM 727 C LYS A 49 3.353 -7.967 -0.402 1.00 1.00 C ATOM 728 O LYS A 49 2.398 -8.740 -0.345 1.00 1.00 O ATOM 729 CB LYS A 49 4.903 -9.946 -0.896 1.00 1.00 C ATOM 730 CG LYS A 49 3.939 -10.865 -0.143 1.00 1.00 C ATOM 731 CD LYS A 49 4.483 -12.293 -0.075 1.00 1.00 C ATOM 732 CE LYS A 49 4.359 -12.860 1.340 1.00 1.00 C ATOM 733 NZ LYS A 49 5.686 -12.916 1.994 1.00 1.00 N ATOM 0 H LYS A 49 5.626 -9.258 1.364 1.00 1.00 H new ATOM 0 HA LYS A 49 5.353 -7.900 -1.110 1.00 1.00 H new ATOM 0 HB2 LYS A 49 4.689 -9.986 -1.964 1.00 1.00 H new ATOM 0 HB3 LYS A 49 5.926 -10.298 -0.762 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.781 -10.484 0.866 1.00 1.00 H new ATOM 0 HG3 LYS A 49 2.969 -10.865 -0.639 1.00 1.00 H new ATOM 0 HD2 LYS A 49 3.938 -12.927 -0.774 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.528 -12.303 -0.384 1.00 1.00 H new ATOM 0 HE2 LYS A 49 3.683 -12.240 1.929 1.00 1.00 H new ATOM 0 HE3 LYS A 49 3.924 -13.859 1.301 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 5.584 -13.303 2.954 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 6.321 -13.526 1.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 6.087 -11.958 2.048 1.00 1.00 H new ATOM 746 N GLY A 50 3.249 -6.648 -0.467 1.00 1.00 N ATOM 747 CA GLY A 50 1.949 -5.999 -0.477 1.00 1.00 C ATOM 748 C GLY A 50 2.092 -4.487 -0.656 1.00 1.00 C ATOM 749 O GLY A 50 1.393 -3.886 -1.471 1.00 1.00 O ATOM 0 H GLY A 50 4.044 -6.011 -0.513 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.341 -6.408 -1.284 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.426 -6.210 0.456 1.00 1.00 H new ATOM 753 N CYS A 51 3.002 -3.914 0.119 1.00 1.00 N ATOM 754 CA CYS A 51 3.245 -2.483 0.056 1.00 1.00 C ATOM 755 C CYS A 51 4.754 -2.249 0.146 1.00 1.00 C ATOM 756 O CYS A 51 5.340 -1.607 -0.725 1.00 1.00 O ATOM 757 CB CYS A 51 2.483 -1.731 1.148 1.00 1.00 C ATOM 758 SG CYS A 51 0.688 -2.079 1.211 1.00 1.00 S ATOM 0 H CYS A 51 3.580 -4.415 0.794 1.00 1.00 H new ATOM 0 HA CYS A 51 2.873 -2.089 -0.890 1.00 1.00 H new ATOM 0 HB2 CYS A 51 2.921 -1.980 2.114 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.626 -0.661 1.000 1.00 1.00 H new ATOM 763 N LYS A 52 5.341 -2.781 1.209 1.00 1.00 N ATOM 764 CA LYS A 52 6.770 -2.637 1.425 1.00 1.00 C ATOM 765 C LYS A 52 7.525 -3.438 0.362 1.00 1.00 C ATOM 766 O LYS A 52 8.444 -2.922 -0.273 1.00 1.00 O ATOM 767 CB LYS A 52 7.136 -3.021 2.860 1.00 1.00 C ATOM 768 CG LYS A 52 7.869 -1.877 3.564 1.00 1.00 C ATOM 769 CD LYS A 52 9.385 -2.022 3.413 1.00 1.00 C ATOM 770 CE LYS A 52 9.976 -2.832 4.569 1.00 1.00 C ATOM 771 NZ LYS A 52 11.455 -2.804 4.518 1.00 1.00 N ATOM 0 H LYS A 52 4.852 -3.312 1.930 1.00 1.00 H new ATOM 0 HA LYS A 52 7.070 -1.595 1.312 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.232 -3.274 3.414 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.765 -3.911 2.853 1.00 1.00 H new ATOM 0 HG2 LYS A 52 7.548 -0.923 3.146 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.605 -1.867 4.621 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.615 -2.511 2.467 1.00 1.00 H new ATOM 0 HD3 LYS A 52 9.847 -1.035 3.382 1.00 1.00 H new ATOM 0 HE2 LYS A 52 9.631 -2.425 5.520 1.00 1.00 H new ATOM 0 HE3 LYS A 52 9.624 -3.862 4.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 11.840 -3.358 5.309 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 11.779 -3.213 3.618 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.786 -1.821 4.590 1.00 1.00 H new ATOM 784 N GLY A 53 7.110 -4.686 0.201 1.00 1.00 N ATOM 785 CA GLY A 53 7.736 -5.562 -0.774 1.00 1.00 C ATOM 786 C GLY A 53 8.110 -4.794 -2.042 1.00 1.00 C ATOM 787 O GLY A 53 9.236 -4.900 -2.528 1.00 1.00 O ATOM 0 H GLY A 53 6.348 -5.111 0.729 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.629 -6.014 -0.342 1.00 1.00 H new ATOM 0 HA3 GLY A 53 7.057 -6.376 -1.025 1.00 1.00 H new ATOM 791 N CYS A 54 7.146 -4.036 -2.543 1.00 1.00 N ATOM 792 CA CYS A 54 7.360 -3.250 -3.746 1.00 1.00 C ATOM 793 C CYS A 54 8.252 -2.059 -3.389 1.00 1.00 C ATOM 794 O CYS A 54 9.147 -1.698 -4.152 1.00 1.00 O ATOM 795 CB CYS A 54 6.037 -2.804 -4.373 1.00 1.00 C ATOM 796 SG CYS A 54 6.346 -2.041 -6.008 1.00 1.00 S ATOM 0 H CYS A 54 6.214 -3.949 -2.137 1.00 1.00 H new ATOM 0 HA CYS A 54 7.856 -3.862 -4.500 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.370 -3.659 -4.482 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.537 -2.091 -3.718 1.00 1.00 H new ATOM 801 N HIS A 55 7.977 -1.482 -2.228 1.00 1.00 N ATOM 802 CA HIS A 55 8.744 -0.339 -1.761 1.00 1.00 C ATOM 803 C HIS A 55 10.215 -0.735 -1.611 1.00 1.00 C ATOM 804 O HIS A 55 11.105 -0.001 -2.037 1.00 1.00 O ATOM 805 CB HIS A 55 8.147 0.225 -0.470 1.00 1.00 C ATOM 806 CG HIS A 55 6.760 0.798 -0.634 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.889 0.970 0.428 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.103 1.238 -1.746 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.762 1.490 -0.036 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.896 1.654 -1.383 1.00 1.00 N ATOM 0 H HIS A 55 7.234 -1.784 -1.597 1.00 1.00 H new ATOM 0 HA HIS A 55 8.693 0.463 -2.497 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.116 -0.566 0.280 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.807 1.003 -0.086 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.082 0.736 1.402 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.498 1.246 -2.751 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.890 1.740 0.550 1.00 1.00 H new ATOM 818 N GLU A 56 10.423 -1.893 -1.003 1.00 1.00 N ATOM 819 CA GLU A 56 11.770 -2.395 -0.792 1.00 1.00 C ATOM 820 C GLU A 56 12.309 -3.028 -2.076 1.00 1.00 C ATOM 821 O GLU A 56 13.520 -3.072 -2.290 1.00 1.00 O ATOM 822 CB GLU A 56 11.808 -3.393 0.368 1.00 1.00 C ATOM 823 CG GLU A 56 10.611 -4.344 0.312 1.00 1.00 C ATOM 824 CD GLU A 56 11.029 -5.773 0.665 1.00 1.00 C ATOM 825 OE1 GLU A 56 10.753 -6.242 1.780 1.00 1.00 O ATOM 826 OE2 GLU A 56 11.662 -6.402 -0.266 1.00 1.00 O ATOM 0 H GLU A 56 9.682 -2.498 -0.650 1.00 1.00 H new ATOM 0 HA GLU A 56 12.412 -1.555 -0.527 1.00 1.00 H new ATOM 0 HB2 GLU A 56 12.734 -3.966 0.329 1.00 1.00 H new ATOM 0 HB3 GLU A 56 11.805 -2.855 1.316 1.00 1.00 H new ATOM 0 HG2 GLU A 56 9.840 -4.005 1.004 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.174 -4.325 -0.686 1.00 1.00 H new ATOM 834 N GLU A 57 11.384 -3.502 -2.898 1.00 1.00 N ATOM 835 CA GLU A 57 11.751 -4.130 -4.156 1.00 1.00 C ATOM 836 C GLU A 57 12.093 -3.065 -5.201 1.00 1.00 C ATOM 837 O GLU A 57 12.947 -3.284 -6.058 1.00 1.00 O ATOM 838 CB GLU A 57 10.636 -5.050 -4.655 1.00 1.00 C ATOM 839 CG GLU A 57 10.944 -5.574 -6.059 1.00 1.00 C ATOM 840 CD GLU A 57 9.667 -6.032 -6.766 1.00 1.00 C ATOM 841 OE1 GLU A 57 8.667 -6.340 -6.102 1.00 1.00 O ATOM 842 OE2 GLU A 57 9.738 -6.061 -8.054 1.00 1.00 O ATOM 0 H GLU A 57 10.381 -3.464 -2.717 1.00 1.00 H new ATOM 0 HA GLU A 57 12.636 -4.744 -3.989 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.517 -5.888 -3.968 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.690 -4.509 -4.665 1.00 1.00 H new ATOM 0 HG2 GLU A 57 11.428 -4.792 -6.645 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.646 -6.405 -5.995 1.00 1.00 H new ATOM 850 N MET A 58 11.407 -1.936 -5.095 1.00 1.00 N ATOM 851 CA MET A 58 11.627 -0.837 -6.019 1.00 1.00 C ATOM 852 C MET A 58 12.535 0.227 -5.400 1.00 1.00 C ATOM 853 O MET A 58 13.420 0.759 -6.069 1.00 1.00 O ATOM 854 CB MET A 58 10.284 -0.208 -6.394 1.00 1.00 C ATOM 855 CG MET A 58 9.387 -1.219 -7.112 1.00 1.00 C ATOM 856 SD MET A 58 8.202 -0.363 -8.137 1.00 1.00 S ATOM 857 CE MET A 58 8.205 -1.428 -9.569 1.00 1.00 C ATOM 0 H MET A 58 10.698 -1.759 -4.383 1.00 1.00 H new ATOM 0 HA MET A 58 12.115 -1.230 -6.911 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.784 0.153 -5.495 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.450 0.657 -7.036 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.994 -1.886 -7.723 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.868 -1.840 -6.382 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.513 -1.037 -10.315 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.209 -1.467 -9.991 1.00 1.00 H new ATOM 0 HE3 MET A 58 7.895 -2.431 -9.277 1.00 1.00 H new ATOM 867 N LYS A 59 12.283 0.507 -4.130 1.00 1.00 N ATOM 868 CA LYS A 59 13.067 1.499 -3.413 1.00 1.00 C ATOM 869 C LYS A 59 12.604 2.899 -3.820 1.00 1.00 C ATOM 870 O LYS A 59 13.424 3.759 -4.142 1.00 1.00 O ATOM 871 CB LYS A 59 14.562 1.258 -3.628 1.00 1.00 C ATOM 872 CG LYS A 59 15.261 0.935 -2.306 1.00 1.00 C ATOM 873 CD LYS A 59 15.370 -0.577 -2.099 1.00 1.00 C ATOM 874 CE LYS A 59 16.761 -0.963 -1.595 1.00 1.00 C ATOM 875 NZ LYS A 59 17.392 -1.939 -2.511 1.00 1.00 N ATOM 0 H LYS A 59 11.547 0.065 -3.579 1.00 1.00 H new ATOM 0 HA LYS A 59 12.905 1.409 -2.339 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.704 0.436 -4.329 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.016 2.142 -4.077 1.00 1.00 H new ATOM 0 HG2 LYS A 59 16.256 1.379 -2.299 1.00 1.00 H new ATOM 0 HG3 LYS A 59 14.707 1.380 -1.479 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.616 -0.905 -1.383 1.00 1.00 H new ATOM 0 HD3 LYS A 59 15.164 -1.092 -3.037 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.385 -0.073 -1.516 1.00 1.00 H new ATOM 0 HE3 LYS A 59 16.686 -1.390 -0.595 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.336 -2.190 -2.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.803 -2.795 -2.566 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 17.481 -1.519 -3.458 1.00 1.00 H new ATOM 888 N LYS A 60 11.293 3.086 -3.793 1.00 1.00 N ATOM 889 CA LYS A 60 10.712 4.367 -4.155 1.00 1.00 C ATOM 890 C LYS A 60 9.700 4.784 -3.086 1.00 1.00 C ATOM 891 O LYS A 60 9.680 5.938 -2.661 1.00 1.00 O ATOM 892 CB LYS A 60 10.125 4.310 -5.567 1.00 1.00 C ATOM 893 CG LYS A 60 11.234 4.208 -6.617 1.00 1.00 C ATOM 894 CD LYS A 60 12.012 5.521 -6.722 1.00 1.00 C ATOM 895 CE LYS A 60 12.944 5.510 -7.935 1.00 1.00 C ATOM 896 NZ LYS A 60 13.553 6.845 -8.133 1.00 1.00 N ATOM 0 H LYS A 60 10.616 2.371 -3.526 1.00 1.00 H new ATOM 0 HA LYS A 60 11.481 5.138 -4.185 1.00 1.00 H new ATOM 0 HB2 LYS A 60 9.457 3.453 -5.653 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.525 5.201 -5.752 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.915 3.398 -6.355 1.00 1.00 H new ATOM 0 HG3 LYS A 60 10.801 3.959 -7.586 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.315 6.355 -6.802 1.00 1.00 H new ATOM 0 HD3 LYS A 60 12.594 5.677 -5.813 1.00 1.00 H new ATOM 0 HE2 LYS A 60 13.726 4.764 -7.793 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.387 5.222 -8.827 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.183 6.820 -8.960 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 12.803 7.549 -8.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 14.101 7.105 -7.288 1.00 1.00 H new ATOM 909 N GLY A 61 8.883 3.822 -2.682 1.00 1.00 N ATOM 910 CA GLY A 61 7.871 4.074 -1.671 1.00 1.00 C ATOM 911 C GLY A 61 8.490 4.108 -0.272 1.00 1.00 C ATOM 912 O GLY A 61 9.704 4.033 -0.093 1.00 1.00 O ATOM 0 H GLY A 61 8.902 2.866 -3.037 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.375 5.023 -1.876 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.106 3.298 -1.715 1.00 1.00 H new ATOM 916 N PRO A 62 7.615 4.225 0.730 1.00 1.00 N ATOM 917 CA PRO A 62 7.979 4.275 2.129 1.00 1.00 C ATOM 918 C PRO A 62 8.378 2.885 2.603 1.00 1.00 C ATOM 919 O PRO A 62 7.670 1.927 2.296 1.00 1.00 O ATOM 920 CB PRO A 62 6.719 4.757 2.845 1.00 1.00 C ATOM 921 CG PRO A 62 5.599 4.070 1.945 1.00 1.00 C ATOM 922 CD PRO A 62 6.182 4.316 0.556 1.00 1.00 C ATOM 0 HA PRO A 62 8.826 4.933 2.323 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.679 4.426 3.883 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.636 5.844 2.854 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.481 3.009 2.165 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.620 4.533 2.073 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.823 3.576 -0.159 1.00 1.00 H new ATOM 0 HD3 PRO A 62 5.892 5.295 0.174 1.00 1.00 H new ATOM 930 N THR A 63 9.484 2.799 3.328 1.00 1.00 N ATOM 931 CA THR A 63 9.953 1.518 3.828 1.00 1.00 C ATOM 932 C THR A 63 10.360 1.636 5.299 1.00 1.00 C ATOM 933 O THR A 63 11.187 0.865 5.782 1.00 1.00 O ATOM 934 CB THR A 63 11.090 1.044 2.920 1.00 1.00 C ATOM 935 OG1 THR A 63 11.721 2.249 2.496 1.00 1.00 O ATOM 936 CG2 THR A 63 10.578 0.414 1.623 1.00 1.00 C ATOM 0 H THR A 63 10.069 3.596 3.581 1.00 1.00 H new ATOM 0 HA THR A 63 9.161 0.769 3.801 1.00 1.00 H new ATOM 0 HB THR A 63 11.706 0.322 3.456 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.472 2.034 1.904 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.424 0.095 1.015 1.00 1.00 H new ATOM 0 HG22 THR A 63 9.955 -0.448 1.859 1.00 1.00 H new ATOM 0 HG23 THR A 63 9.990 1.146 1.070 1.00 1.00 H new ATOM 944 N LYS A 64 9.759 2.609 5.969 1.00 1.00 N ATOM 945 CA LYS A 64 10.048 2.838 7.374 1.00 1.00 C ATOM 946 C LYS A 64 8.734 3.006 8.140 1.00 1.00 C ATOM 947 O LYS A 64 7.723 3.406 7.564 1.00 1.00 O ATOM 948 CB LYS A 64 11.010 4.015 7.538 1.00 1.00 C ATOM 949 CG LYS A 64 12.287 3.584 8.264 1.00 1.00 C ATOM 950 CD LYS A 64 12.010 3.309 9.743 1.00 1.00 C ATOM 951 CE LYS A 64 12.079 1.811 10.045 1.00 1.00 C ATOM 952 NZ LYS A 64 11.840 1.561 11.484 1.00 1.00 N ATOM 0 H LYS A 64 9.074 3.247 5.565 1.00 1.00 H new ATOM 0 HA LYS A 64 10.559 1.976 7.803 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.264 4.421 6.559 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.522 4.813 8.097 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.692 2.688 7.794 1.00 1.00 H new ATOM 0 HG3 LYS A 64 13.043 4.363 8.171 1.00 1.00 H new ATOM 0 HD2 LYS A 64 12.736 3.841 10.358 1.00 1.00 H new ATOM 0 HD3 LYS A 64 11.025 3.692 10.009 1.00 1.00 H new ATOM 0 HE2 LYS A 64 11.337 1.279 9.449 1.00 1.00 H new ATOM 0 HE3 LYS A 64 13.056 1.421 9.759 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 12.370 0.718 11.783 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 12.157 2.383 12.037 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 10.824 1.406 11.645 1.00 1.00 H new ATOM 965 N CYS A 65 8.791 2.693 9.426 1.00 1.00 N ATOM 966 CA CYS A 65 7.618 2.805 10.276 1.00 1.00 C ATOM 967 C CYS A 65 7.143 4.259 10.251 1.00 1.00 C ATOM 968 O CYS A 65 5.942 4.524 10.241 1.00 1.00 O ATOM 969 CB CYS A 65 7.903 2.322 11.700 1.00 1.00 C ATOM 970 SG CYS A 65 9.037 0.890 11.811 1.00 1.00 S ATOM 0 H CYS A 65 9.631 2.362 9.900 1.00 1.00 H new ATOM 0 HA CYS A 65 6.827 2.159 9.895 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.326 3.148 12.271 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.958 2.057 12.175 1.00 1.00 H new ATOM 975 N GLY A 66 8.111 5.164 10.243 1.00 1.00 N ATOM 976 CA GLY A 66 7.808 6.585 10.220 1.00 1.00 C ATOM 977 C GLY A 66 7.699 7.099 8.783 1.00 1.00 C ATOM 978 O GLY A 66 7.770 8.303 8.543 1.00 1.00 O ATOM 0 H GLY A 66 9.106 4.940 10.252 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.872 6.770 10.748 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.586 7.135 10.749 1.00 1.00 H new ATOM 982 N GLU A 67 7.530 6.160 7.863 1.00 1.00 N ATOM 983 CA GLU A 67 7.411 6.503 6.456 1.00 1.00 C ATOM 984 C GLU A 67 6.051 6.056 5.914 1.00 1.00 C ATOM 985 O GLU A 67 5.754 6.252 4.737 1.00 1.00 O ATOM 986 CB GLU A 67 8.553 5.890 5.644 1.00 1.00 C ATOM 987 CG GLU A 67 9.393 6.977 4.971 1.00 1.00 C ATOM 988 CD GLU A 67 10.070 6.443 3.708 1.00 1.00 C ATOM 989 OE1 GLU A 67 9.772 6.911 2.599 1.00 1.00 O ATOM 990 OE2 GLU A 67 10.937 5.509 3.907 1.00 1.00 O ATOM 0 H GLU A 67 7.473 5.162 8.065 1.00 1.00 H new ATOM 0 HA GLU A 67 7.481 7.586 6.359 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.186 5.288 6.297 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.146 5.219 4.887 1.00 1.00 H new ATOM 0 HG2 GLU A 67 8.759 7.826 4.717 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.149 7.341 5.667 1.00 1.00 H new ATOM 998 N CYS A 68 5.262 5.464 6.799 1.00 1.00 N ATOM 999 CA CYS A 68 3.942 4.988 6.424 1.00 1.00 C ATOM 1000 C CYS A 68 2.945 5.446 7.491 1.00 1.00 C ATOM 1001 O CYS A 68 2.024 6.207 7.199 1.00 1.00 O ATOM 1002 CB CYS A 68 3.920 3.470 6.237 1.00 1.00 C ATOM 1003 SG CYS A 68 3.876 3.060 4.454 1.00 1.00 S ATOM 0 H CYS A 68 5.512 5.303 7.775 1.00 1.00 H new ATOM 0 HA CYS A 68 3.661 5.411 5.460 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.801 3.026 6.699 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.050 3.046 6.738 1.00 1.00 H new ATOM 1008 N HIS A 69 3.164 4.964 8.705 1.00 1.00 N ATOM 1009 CA HIS A 69 2.296 5.314 9.817 1.00 1.00 C ATOM 1010 C HIS A 69 2.541 6.770 10.219 1.00 1.00 C ATOM 1011 O HIS A 69 3.583 7.095 10.785 1.00 1.00 O ATOM 1012 CB HIS A 69 2.483 4.338 10.980 1.00 1.00 C ATOM 1013 CG HIS A 69 2.152 2.905 10.638 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.854 2.449 10.493 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.964 1.832 10.414 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.894 1.159 10.195 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.203 0.778 10.147 1.00 1.00 N ATOM 0 H HIS A 69 3.930 4.334 8.944 1.00 1.00 H new ATOM 0 HA HIS A 69 1.253 5.228 9.511 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.517 4.390 11.322 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.856 4.656 11.813 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.009 3.011 10.598 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.043 1.839 10.448 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.040 0.521 10.021 1.00 1.00 H new ATOM 1025 N LYS A 70 1.561 7.608 9.912 1.00 1.00 N ATOM 1026 CA LYS A 70 1.657 9.021 10.235 1.00 1.00 C ATOM 1027 C LYS A 70 0.257 9.573 10.511 1.00 1.00 C ATOM 1028 O LYS A 70 -0.591 9.599 9.620 1.00 1.00 O ATOM 1029 CB LYS A 70 2.408 9.773 9.133 1.00 1.00 C ATOM 1030 CG LYS A 70 2.622 11.238 9.517 1.00 1.00 C ATOM 1031 CD LYS A 70 3.709 11.372 10.586 1.00 1.00 C ATOM 1032 CE LYS A 70 5.102 11.375 9.953 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.808 12.639 10.261 1.00 1.00 N ATOM 0 H LYS A 70 0.697 7.335 9.443 1.00 1.00 H new ATOM 0 HA LYS A 70 2.242 9.165 11.143 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.371 9.296 8.954 1.00 1.00 H new ATOM 0 HB3 LYS A 70 1.846 9.716 8.201 1.00 1.00 H new ATOM 0 HG2 LYS A 70 2.903 11.812 8.634 1.00 1.00 H new ATOM 0 HG3 LYS A 70 1.688 11.661 9.888 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.559 12.293 11.149 1.00 1.00 H new ATOM 0 HD3 LYS A 70 3.630 10.549 11.296 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.679 10.529 10.326 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.018 11.252 8.873 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.752 12.625 9.824 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 5.264 13.441 9.884 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.905 12.740 11.292 1.00 1.00 H new ATOM 1046 N LYS A 71 0.058 10.000 11.749 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.225 10.549 12.154 1.00 1.00 C ATOM 1048 C LYS A 71 -1.634 11.653 11.177 1.00 1.00 C ATOM 1049 O LYS A 71 -0.805 12.467 10.772 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.176 11.007 13.613 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.579 11.055 14.221 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.845 12.410 14.880 1.00 1.00 C ATOM 1053 CE LYS A 71 -3.421 12.231 16.286 1.00 1.00 C ATOM 1054 NZ LYS A 71 -4.111 13.465 16.724 1.00 1.00 N ATOM 0 H LYS A 71 0.764 9.977 12.485 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.998 9.782 12.111 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -0.549 10.327 14.190 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.716 11.993 13.673 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -3.322 10.872 13.445 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.687 10.260 14.959 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -1.918 12.981 14.933 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -3.540 12.986 14.269 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -4.119 11.394 16.296 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -2.621 11.987 16.985 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -4.496 13.327 17.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -3.435 14.256 16.734 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -4.887 13.681 16.066 1.00 1.00 H new TER 1067 LYS A 71 HETATM 1068 CHA HEM A 101 -8.972 -1.043 -4.011 1.00 1.00 C HETATM 1069 CHB HEM A 101 -9.240 -0.197 -8.800 1.00 1.00 C HETATM 1070 CHC HEM A 101 -4.390 0.195 -9.017 1.00 1.00 C HETATM 1071 CHD HEM A 101 -4.108 -1.076 -4.258 1.00 1.00 C HETATM 1072 C1A HEM A 101 -9.451 -0.885 -5.308 1.00 1.00 C HETATM 1073 C2A HEM A 101 -10.834 -1.054 -5.688 1.00 1.00 C HETATM 1074 C3A HEM A 101 -10.911 -0.820 -7.015 1.00 1.00 C HETATM 1075 C4A HEM A 101 -9.578 -0.504 -7.470 1.00 1.00 C HETATM 1076 CMA HEM A 101 -12.129 -0.868 -7.892 1.00 1.00 C HETATM 1077 CAA HEM A 101 -11.944 -1.422 -4.748 1.00 1.00 C HETATM 1078 CBA HEM A 101 -12.656 -0.223 -4.128 1.00 1.00 C HETATM 1079 CGA HEM A 101 -14.075 -0.092 -4.661 1.00 1.00 C HETATM 1080 O1A HEM A 101 -14.945 -0.827 -4.146 1.00 1.00 O HETATM 1081 O2A HEM A 101 -14.264 0.740 -5.574 1.00 1.00 O HETATM 1082 C1B HEM A 101 -7.945 0.027 -9.254 1.00 1.00 C HETATM 1083 C2B HEM A 101 -7.616 0.454 -10.594 1.00 1.00 C HETATM 1084 C3B HEM A 101 -6.272 0.563 -10.657 1.00 1.00 C HETATM 1085 C4B HEM A 101 -5.755 0.206 -9.357 1.00 1.00 C HETATM 1086 CMB HEM A 101 -8.617 0.715 -11.682 1.00 1.00 C HETATM 1087 CAB HEM A 101 -5.433 0.974 -11.831 1.00 1.00 C HETATM 1088 CBB HEM A 101 -5.992 2.162 -12.608 1.00 1.00 C HETATM 1089 C1C HEM A 101 -3.862 -0.200 -7.706 1.00 1.00 C HETATM 1090 C2C HEM A 101 -2.465 -0.370 -7.383 1.00 1.00 C HETATM 1091 C3C HEM A 101 -2.398 -0.711 -6.079 1.00 1.00 C HETATM 1092 C4C HEM A 101 -3.753 -0.756 -5.582 1.00 1.00 C HETATM 1093 CMC HEM A 101 -1.331 -0.191 -8.350 1.00 1.00 C HETATM 1094 CAC HEM A 101 -1.173 -0.999 -5.260 1.00 1.00 C HETATM 1095 CBC HEM A 101 0.060 -0.209 -5.690 1.00 1.00 C HETATM 1096 C1D HEM A 101 -5.414 -1.148 -3.787 1.00 1.00 C HETATM 1097 C2D HEM A 101 -5.768 -1.414 -2.413 1.00 1.00 C HETATM 1098 C3D HEM A 101 -7.116 -1.406 -2.341 1.00 1.00 C HETATM 1099 C4D HEM A 101 -7.610 -1.134 -3.670 1.00 1.00 C HETATM 1100 CMD HEM A 101 -4.785 -1.651 -1.304 1.00 1.00 C HETATM 1101 CAD HEM A 101 -7.978 -1.632 -1.133 1.00 1.00 C HETATM 1102 CBD HEM A 101 -7.579 -2.849 -0.304 1.00 1.00 C HETATM 1103 CGD HEM A 101 -7.116 -2.437 1.086 1.00 1.00 C HETATM 1104 O1D HEM A 101 -6.187 -3.101 1.595 1.00 1.00 O HETATM 1105 O2D HEM A 101 -7.700 -1.466 1.614 1.00 1.00 O HETATM 1106 NA HEM A 101 -8.687 -0.547 -6.411 1.00 1.00 N HETATM 1107 NB HEM A 101 -6.793 -0.123 -8.501 1.00 1.00 N HETATM 1108 NC HEM A 101 -4.646 -0.439 -6.591 1.00 1.00 N HETATM 1109 ND HEM A 101 -6.555 -0.977 -4.552 1.00 1.00 N HETATM 1110 FE HEM A 101 -6.509 -0.552 -6.575 1.00 1.00 FE HETATM 0 HMA1 HEM A 101 -12.012 -0.164 -8.716 1.00 1.00 H new HETATM 0 HMA2 HEM A 101 -13.009 -0.599 -7.308 1.00 1.00 H new HETATM 0 HMA3 HEM A 101 -12.251 -1.875 -8.290 1.00 1.00 H new HETATM 0 HMB1 HEM A 101 -9.487 0.075 -11.537 1.00 1.00 H new HETATM 0 HMB2 HEM A 101 -8.166 0.500 -12.651 1.00 1.00 H new HETATM 0 HMB3 HEM A 101 -8.926 1.760 -11.649 1.00 1.00 H new HETATM 0 HMC1 HEM A 101 -1.667 -0.442 -9.356 1.00 1.00 H new HETATM 0 HMC2 HEM A 101 -0.506 -0.846 -8.069 1.00 1.00 H new HETATM 0 HMC3 HEM A 101 -0.994 0.845 -8.328 1.00 1.00 H new HETATM 0 HMD1 HEM A 101 -5.210 -1.307 -0.361 1.00 1.00 H new HETATM 0 HMD2 HEM A 101 -3.866 -1.103 -1.509 1.00 1.00 H new HETATM 0 HMD3 HEM A 101 -4.564 -2.716 -1.235 1.00 1.00 H new HETATM 0 HBB1 HEM A 101 -5.460 2.542 -13.480 1.00 1.00 H new HETATM 0 HBB2 HEM A 101 -6.924 2.631 -12.291 1.00 1.00 H new HETATM 0 HBC1 HEM A 101 1.004 -0.342 -5.162 1.00 1.00 H new HETATM 0 HBC2 HEM A 101 -0.004 0.488 -6.525 1.00 1.00 H new HETATM 0 HBA1 HEM A 101 -12.097 0.688 -4.345 1.00 1.00 H new HETATM 0 HBA2 HEM A 101 -12.680 -0.331 -3.044 1.00 1.00 H new HETATM 0 HAA1 HEM A 101 -11.539 -2.044 -3.950 1.00 1.00 H new HETATM 0 HAA2 HEM A 101 -12.674 -2.028 -5.284 1.00 1.00 H new HETATM 0 HBD1 HEM A 101 -6.781 -3.392 -0.810 1.00 1.00 H new HETATM 0 HBD2 HEM A 101 -8.426 -3.530 -0.222 1.00 1.00 H new HETATM 0 HAD1 HEM A 101 -9.013 -1.748 -1.455 1.00 1.00 H new HETATM 0 HAD2 HEM A 101 -7.938 -0.745 -0.500 1.00 1.00 H new HETATM 0 HHA HEM A 101 -9.696 -1.100 -3.211 1.00 1.00 H new HETATM 0 HHB HEM A 101 -10.043 -0.131 -9.519 1.00 1.00 H new HETATM 0 HHC HEM A 101 -3.681 0.498 -9.773 1.00 1.00 H new HETATM 0 HHD HEM A 101 -3.310 -1.280 -3.559 1.00 1.00 H new HETATM 0 HAB HEM A 101 -4.507 0.469 -12.104 1.00 1.00 H new HETATM 0 HAC HEM A 101 -1.165 -1.709 -4.433 1.00 1.00 H new HETATM 1111 CHA HEM A 102 5.195 5.529 -2.675 1.00 1.00 C HETATM 1112 CHB HEM A 102 2.029 3.559 0.459 1.00 1.00 C HETATM 1113 CHC HEM A 102 1.785 -0.457 -2.286 1.00 1.00 C HETATM 1114 CHD HEM A 102 5.159 1.444 -5.327 1.00 1.00 C HETATM 1115 C1A HEM A 102 4.308 5.351 -1.618 1.00 1.00 C HETATM 1116 C2A HEM A 102 3.958 6.382 -0.670 1.00 1.00 C HETATM 1117 C3A HEM A 102 3.080 5.839 0.200 1.00 1.00 C HETATM 1118 C4A HEM A 102 2.879 4.466 -0.200 1.00 1.00 C HETATM 1119 CMA HEM A 102 2.416 6.497 1.375 1.00 1.00 C HETATM 1120 CAA HEM A 102 4.495 7.783 -0.687 1.00 1.00 C HETATM 1121 CBA HEM A 102 4.550 8.409 -2.078 1.00 1.00 C HETATM 1122 CGA HEM A 102 3.747 9.702 -2.129 1.00 1.00 C HETATM 1123 O1A HEM A 102 3.021 9.879 -3.131 1.00 1.00 O HETATM 1124 O2A HEM A 102 3.875 10.488 -1.165 1.00 1.00 O HETATM 1125 C1B HEM A 102 1.689 2.301 -0.027 1.00 1.00 C HETATM 1126 C2B HEM A 102 0.752 1.409 0.614 1.00 1.00 C HETATM 1127 C3B HEM A 102 0.682 0.295 -0.145 1.00 1.00 C HETATM 1128 C4B HEM A 102 1.575 0.486 -1.263 1.00 1.00 C HETATM 1129 CMB HEM A 102 0.015 1.709 1.887 1.00 1.00 C HETATM 1130 CAB HEM A 102 -0.151 -0.932 0.090 1.00 1.00 C HETATM 1131 CBB HEM A 102 -1.554 -0.639 0.614 1.00 1.00 C HETATM 1132 C1C HEM A 102 2.699 -0.294 -3.419 1.00 1.00 C HETATM 1133 C2C HEM A 102 3.044 -1.311 -4.384 1.00 1.00 C HETATM 1134 C3C HEM A 102 3.987 -0.786 -5.194 1.00 1.00 C HETATM 1135 C4C HEM A 102 4.236 0.561 -4.739 1.00 1.00 C HETATM 1136 CMC HEM A 102 2.439 -2.684 -4.437 1.00 1.00 C HETATM 1137 CAC HEM A 102 4.674 -1.441 -6.357 1.00 1.00 C HETATM 1138 CBC HEM A 102 3.944 -2.665 -6.901 1.00 1.00 C HETATM 1139 C1D HEM A 102 5.389 2.747 -4.897 1.00 1.00 C HETATM 1140 C2D HEM A 102 6.128 3.732 -5.652 1.00 1.00 C HETATM 1141 C3D HEM A 102 6.139 4.866 -4.919 1.00 1.00 C HETATM 1142 C4D HEM A 102 5.408 4.594 -3.704 1.00 1.00 C HETATM 1143 CMD HEM A 102 6.749 3.495 -6.997 1.00 1.00 C HETATM 1144 CAD HEM A 102 6.777 6.181 -5.261 1.00 1.00 C HETATM 1145 CBD HEM A 102 6.401 6.713 -6.641 1.00 1.00 C HETATM 1146 CGD HEM A 102 7.476 6.382 -7.667 1.00 1.00 C HETATM 1147 O1D HEM A 102 8.665 6.499 -7.301 1.00 1.00 O HETATM 1148 O2D HEM A 102 7.088 6.019 -8.799 1.00 1.00 O HETATM 1149 NA HEM A 102 3.639 4.176 -1.320 1.00 1.00 N HETATM 1150 NB HEM A 102 2.190 1.723 -1.181 1.00 1.00 N HETATM 1151 NC HEM A 102 3.438 0.854 -3.646 1.00 1.00 N HETATM 1152 ND HEM A 102 4.951 3.288 -3.701 1.00 1.00 N HETATM 1153 FE HEM A 102 3.652 2.450 -2.545 1.00 1.00 FE HETATM 0 HMA1 HEM A 102 3.070 7.271 1.776 1.00 1.00 H new HETATM 0 HMA2 HEM A 102 2.220 5.752 2.146 1.00 1.00 H new HETATM 0 HMA3 HEM A 102 1.475 6.946 1.057 1.00 1.00 H new HETATM 0 HMB1 HEM A 102 -0.947 1.196 1.880 1.00 1.00 H new HETATM 0 HMB2 HEM A 102 -0.148 2.784 1.969 1.00 1.00 H new HETATM 0 HMB3 HEM A 102 0.604 1.366 2.738 1.00 1.00 H new HETATM 0 HMC1 HEM A 102 2.434 -3.040 -5.467 1.00 1.00 H new HETATM 0 HMC2 HEM A 102 1.416 -2.646 -4.062 1.00 1.00 H new HETATM 0 HMC3 HEM A 102 3.027 -3.365 -3.821 1.00 1.00 H new HETATM 0 HMD1 HEM A 102 7.036 2.447 -7.086 1.00 1.00 H new HETATM 0 HMD2 HEM A 102 7.633 4.124 -7.106 1.00 1.00 H new HETATM 0 HMD3 HEM A 102 6.030 3.741 -7.778 1.00 1.00 H new HETATM 0 HBB1 HEM A 102 -2.242 -1.460 0.818 1.00 1.00 H new HETATM 0 HBB2 HEM A 102 -1.868 0.391 0.784 1.00 1.00 H new HETATM 0 HBC1 HEM A 102 4.358 -3.215 -7.746 1.00 1.00 H new HETATM 0 HBC2 HEM A 102 3.009 -2.989 -6.445 1.00 1.00 H new HETATM 0 HBA1 HEM A 102 4.159 7.705 -2.813 1.00 1.00 H new HETATM 0 HBA2 HEM A 102 5.586 8.610 -2.349 1.00 1.00 H new HETATM 0 HAA1 HEM A 102 5.498 7.782 -0.260 1.00 1.00 H new HETATM 0 HAA2 HEM A 102 3.875 8.407 -0.043 1.00 1.00 H new HETATM 0 HBD1 HEM A 102 6.261 7.793 -6.592 1.00 1.00 H new HETATM 0 HBD2 HEM A 102 5.450 6.282 -6.954 1.00 1.00 H new HETATM 0 HAD1 HEM A 102 7.860 6.072 -5.208 1.00 1.00 H new HETATM 0 HAD2 HEM A 102 6.493 6.917 -4.509 1.00 1.00 H new HETATM 0 HHA HEM A 102 5.759 6.449 -2.708 1.00 1.00 H new HETATM 0 HHB HEM A 102 1.611 3.861 1.408 1.00 1.00 H new HETATM 0 HHC HEM A 102 1.225 -1.379 -2.231 1.00 1.00 H new HETATM 0 HHD HEM A 102 5.729 1.086 -6.171 1.00 1.00 H new HETATM 0 HAB HEM A 102 0.214 -1.942 -0.097 1.00 1.00 H new HETATM 0 HAC HEM A 102 5.611 -1.074 -6.776 1.00 1.00 H new HETATM 1154 CHA HEM A 103 -0.431 -2.150 10.364 1.00 1.00 C HETATM 1155 CHB HEM A 103 3.661 -1.614 12.951 1.00 1.00 C HETATM 1156 CHC HEM A 103 6.011 -0.066 8.976 1.00 1.00 C HETATM 1157 CHD HEM A 103 1.724 -0.117 6.498 1.00 1.00 C HETATM 1158 C1A HEM A 103 0.485 -2.119 11.411 1.00 1.00 C HETATM 1159 C2A HEM A 103 0.166 -2.456 12.778 1.00 1.00 C HETATM 1160 C3A HEM A 103 1.298 -2.309 13.498 1.00 1.00 C HETATM 1161 C4A HEM A 103 2.329 -1.878 12.584 1.00 1.00 C HETATM 1162 CMA HEM A 103 1.494 -2.537 14.969 1.00 1.00 C HETATM 1163 CAA HEM A 103 -1.188 -2.887 13.263 1.00 1.00 C HETATM 1164 CBA HEM A 103 -2.147 -1.731 13.535 1.00 1.00 C HETATM 1165 CGA HEM A 103 -2.692 -1.794 14.954 1.00 1.00 C HETATM 1166 O1A HEM A 103 -1.931 -2.248 15.835 1.00 1.00 O HETATM 1167 O2A HEM A 103 -3.861 -1.386 15.132 1.00 1.00 O HETATM 1168 C1B HEM A 103 4.662 -1.229 12.065 1.00 1.00 C HETATM 1169 C2B HEM A 103 6.070 -1.219 12.385 1.00 1.00 C HETATM 1170 C3B HEM A 103 6.724 -0.790 11.285 1.00 1.00 C HETATM 1171 C4B HEM A 103 5.728 -0.530 10.273 1.00 1.00 C HETATM 1172 CMB HEM A 103 6.652 -1.620 13.710 1.00 1.00 C HETATM 1173 CAB HEM A 103 8.203 -0.604 11.104 1.00 1.00 C HETATM 1174 CBB HEM A 103 9.032 -1.834 11.462 1.00 1.00 C HETATM 1175 C1C HEM A 103 5.014 0.050 7.864 1.00 1.00 C HETATM 1176 C2C HEM A 103 5.231 0.693 6.590 1.00 1.00 C HETATM 1177 C3C HEM A 103 4.045 0.704 5.944 1.00 1.00 C HETATM 1178 C4C HEM A 103 3.083 0.068 6.813 1.00 1.00 C HETATM 1179 CMC HEM A 103 6.548 1.234 6.113 1.00 1.00 C HETATM 1180 CAC HEM A 103 3.739 1.260 4.584 1.00 1.00 C HETATM 1181 CBC HEM A 103 4.651 0.734 3.479 1.00 1.00 C HETATM 1182 C1D HEM A 103 0.803 -0.752 7.324 1.00 1.00 C HETATM 1183 C2D HEM A 103 -0.501 -1.199 6.893 1.00 1.00 C HETATM 1184 C3D HEM A 103 -1.101 -1.763 7.962 1.00 1.00 C HETATM 1185 C4D HEM A 103 -0.175 -1.671 9.066 1.00 1.00 C HETATM 1186 CMD HEM A 103 -1.046 -1.043 5.503 1.00 1.00 C HETATM 1187 CAD HEM A 103 -2.467 -2.380 8.037 1.00 1.00 C HETATM 1188 CBD HEM A 103 -3.604 -1.409 7.733 1.00 1.00 C HETATM 1189 CGD HEM A 103 -4.648 -2.052 6.832 1.00 1.00 C HETATM 1190 O1D HEM A 103 -4.231 -2.822 5.940 1.00 1.00 O HETATM 1191 O2D HEM A 103 -5.844 -1.762 7.052 1.00 1.00 O HETATM 1192 NA HEM A 103 1.818 -1.764 11.303 1.00 1.00 N HETATM 1193 NB HEM A 103 4.463 -0.803 10.763 1.00 1.00 N HETATM 1194 NC HEM A 103 3.690 -0.331 7.991 1.00 1.00 N HETATM 1195 ND HEM A 103 0.993 -1.048 8.663 1.00 1.00 N HETATM 1196 FE HEM A 103 2.805 -0.883 9.664 1.00 1.00 FE HETATM 0 HMA1 HEM A 103 0.562 -2.332 15.496 1.00 1.00 H new HETATM 0 HMA2 HEM A 103 2.275 -1.872 15.339 1.00 1.00 H new HETATM 0 HMA3 HEM A 103 1.788 -3.573 15.141 1.00 1.00 H new HETATM 0 HMB1 HEM A 103 5.935 -1.405 14.502 1.00 1.00 H new HETATM 0 HMB2 HEM A 103 7.569 -1.059 13.889 1.00 1.00 H new HETATM 0 HMB3 HEM A 103 6.875 -2.687 13.702 1.00 1.00 H new HETATM 0 HMC1 HEM A 103 7.139 1.561 6.969 1.00 1.00 H new HETATM 0 HMC2 HEM A 103 6.374 2.080 5.448 1.00 1.00 H new HETATM 0 HMC3 HEM A 103 7.088 0.455 5.575 1.00 1.00 H new HETATM 0 HMD1 HEM A 103 -1.733 -1.861 5.288 1.00 1.00 H new HETATM 0 HMD2 HEM A 103 -0.225 -1.061 4.786 1.00 1.00 H new HETATM 0 HMD3 HEM A 103 -1.576 -0.094 5.424 1.00 1.00 H new HETATM 0 HBB1 HEM A 103 10.117 -1.806 11.367 1.00 1.00 H new HETATM 0 HBB2 HEM A 103 8.539 -2.740 11.813 1.00 1.00 H new HETATM 0 HBC1 HEM A 103 4.515 1.074 2.452 1.00 1.00 H new HETATM 0 HBC2 HEM A 103 5.438 0.019 3.717 1.00 1.00 H new HETATM 0 HBA1 HEM A 103 -2.972 -1.764 12.823 1.00 1.00 H new HETATM 0 HBA2 HEM A 103 -1.631 -0.783 13.382 1.00 1.00 H new HETATM 0 HAA1 HEM A 103 -1.067 -3.468 14.177 1.00 1.00 H new HETATM 0 HAA2 HEM A 103 -1.635 -3.549 12.521 1.00 1.00 H new HETATM 0 HBD1 HEM A 103 -3.205 -0.516 7.252 1.00 1.00 H new HETATM 0 HBD2 HEM A 103 -4.071 -1.088 8.664 1.00 1.00 H new HETATM 0 HAD1 HEM A 103 -2.613 -2.794 9.035 1.00 1.00 H new HETATM 0 HAD2 HEM A 103 -2.517 -3.213 7.336 1.00 1.00 H new HETATM 0 HHA HEM A 103 -1.406 -2.571 10.561 1.00 1.00 H new HETATM 0 HHB HEM A 103 3.925 -1.717 13.993 1.00 1.00 H new HETATM 0 HHC HEM A 103 7.028 0.230 8.765 1.00 1.00 H new HETATM 0 HHD HEM A 103 1.372 0.260 5.549 1.00 1.00 H new HETATM 0 HAB HEM A 103 8.645 0.327 10.749 1.00 1.00 H new HETATM 0 HAC HEM A 103 2.937 1.975 4.402 1.00 1.00 H new