USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 502 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 HECFE :(H bumps) USER MOD NoAdj-H: A 20 HIS HE2 : A 20 HIS NE2 : A 102 HECFE :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 HECFE :(H bumps) USER MOD NoAdj-H: A 47 HIS HE2 : A 47 HIS NE2 : A 103 HECFE :(H bumps) USER MOD NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 102 HECFE :(H bumps) USER MOD NoAdj-H: A 69 HIS HE2 : A 69 HIS NE2 : A 103 HECFE :(H bumps) USER MOD NoAdj-H: A 101 HEC HAC : A 101 HEC CAC : A 30 CYS SG :(H bumps) USER MOD NoAdj-H: A 101 HEC HAB : A 101 HEC CAB : A 27 CYS SG :(H bumps) USER MOD NoAdj-H: A 102 HEC HAC : A 102 HEC CAC : A 54 CYS SG :(H bumps) USER MOD NoAdj-H: A 102 HEC HAB : A 102 HEC CAB : A 51 CYS SG :(H bumps) USER MOD NoAdj-H: A 103 HEC HAC : A 103 HEC CAC : A 68 CYS SG :(H bumps) USER MOD NoAdj-H: A 103 HEC HAB : A 103 HEC CAB : A 65 CYS SG :(H bumps) USER MOD Set 1.1: A 43 LYS NZ :NH3+ -102:sc= -7.37! (180deg=-9.94!) USER MOD Set 1.2: A 103 HEC O2D : rot 156:sc= -1.18 USER MOD Set 2.1: A 10 ASN : amide:sc= 0.354 K(o=0.87,f=-3.8!) USER MOD Set 2.2: A 103 HEC O2A : rot 92:sc= 0.514 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 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= -1.07 K(o=-1.1,f=-4!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0.992 (180deg=0.974) USER MOD Single : A 58 MET CE :methyl -135:sc= 0 (180deg=-0.868) 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+ 174:sc= 0 (180deg=-0.0207) 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 HEC O2A : rot 165:sc= 0 USER MOD Single : A 101 HEC O2D : rot 180:sc= 0 USER MOD Single : A 102 HEC O2A : rot 165:sc= 0 USER MOD Single : A 102 HEC O2D : rot 120:sc= -1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.543 1.653 1.172 1.00 1.00 N ATOM 2 CA ALA A 1 4.121 1.437 -0.143 1.00 1.00 C ATOM 3 C ALA A 1 3.650 2.542 -1.091 1.00 1.00 C ATOM 4 O ALA A 1 4.464 3.283 -1.639 1.00 1.00 O ATOM 5 CB ALA A 1 3.744 0.041 -0.643 1.00 1.00 C ATOM 0 H1 ALA A 1 3.861 0.903 1.819 1.00 1.00 H new ATOM 0 H2 ALA A 1 3.848 2.578 1.537 1.00 1.00 H new ATOM 0 H3 ALA A 1 2.506 1.633 1.103 1.00 1.00 H new ATOM 0 HA ALA A 1 5.209 1.485 -0.096 1.00 1.00 H new ATOM 0 HB1 ALA A 1 4.178 -0.121 -1.630 1.00 1.00 H new ATOM 0 HB2 ALA A 1 4.126 -0.709 0.049 1.00 1.00 H new ATOM 0 HB3 ALA A 1 2.659 -0.042 -0.705 1.00 1.00 H new ATOM 11 N ASP A 2 2.337 2.618 -1.254 1.00 1.00 N ATOM 12 CA ASP A 2 1.748 3.620 -2.126 1.00 1.00 C ATOM 13 C ASP A 2 0.227 3.606 -1.957 1.00 1.00 C ATOM 14 O ASP A 2 -0.350 4.552 -1.425 1.00 1.00 O ATOM 15 CB ASP A 2 2.063 3.327 -3.594 1.00 1.00 C ATOM 16 CG ASP A 2 2.206 1.844 -3.942 1.00 1.00 C ATOM 17 OD1 ASP A 2 3.165 1.179 -3.520 1.00 1.00 O ATOM 18 OD2 ASP A 2 1.269 1.366 -4.688 1.00 1.00 O ATOM 0 H ASP A 2 1.665 2.002 -0.797 1.00 1.00 H new ATOM 0 HA ASP A 2 2.165 4.590 -1.855 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.273 3.755 -4.212 1.00 1.00 H new ATOM 0 HB3 ASP A 2 2.988 3.838 -3.860 1.00 1.00 H new ATOM 24 N ASP A 3 -0.377 2.522 -2.421 1.00 1.00 N ATOM 25 CA ASP A 3 -1.820 2.372 -2.328 1.00 1.00 C ATOM 26 C ASP A 3 -2.169 1.625 -1.039 1.00 1.00 C ATOM 27 O ASP A 3 -1.528 0.632 -0.700 1.00 1.00 O ATOM 28 CB ASP A 3 -2.367 1.564 -3.506 1.00 1.00 C ATOM 29 CG ASP A 3 -2.158 0.051 -3.405 1.00 1.00 C ATOM 30 OD1 ASP A 3 -3.085 -0.699 -3.063 1.00 1.00 O ATOM 31 OD2 ASP A 3 -0.970 -0.356 -3.698 1.00 1.00 O ATOM 0 H ASP A 3 0.106 1.739 -2.862 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.264 3.368 -2.337 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -3.435 1.763 -3.599 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -1.896 1.920 -4.422 1.00 1.00 H new ATOM 37 N ILE A 4 -3.185 2.132 -0.356 1.00 1.00 N ATOM 38 CA ILE A 4 -3.627 1.524 0.887 1.00 1.00 C ATOM 39 C ILE A 4 -5.118 1.198 0.789 1.00 1.00 C ATOM 40 O ILE A 4 -5.954 2.099 0.770 1.00 1.00 O ATOM 41 CB ILE A 4 -3.270 2.419 2.077 1.00 1.00 C ATOM 42 CG1 ILE A 4 -1.770 2.715 2.110 1.00 1.00 C ATOM 43 CG2 ILE A 4 -3.764 1.808 3.390 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.306 3.037 3.533 1.00 1.00 C ATOM 0 H ILE A 4 -3.714 2.956 -0.640 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.105 0.582 1.057 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.783 3.373 1.953 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.218 1.856 1.729 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.547 3.555 1.452 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.498 2.463 4.219 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -4.847 1.692 3.353 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.300 0.833 3.535 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.236 3.244 3.529 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -1.843 3.911 3.902 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.509 2.186 4.183 1.00 1.00 H new ATOM 51 N VAL A 5 -5.405 -0.095 0.730 1.00 1.00 N ATOM 52 CA VAL A 5 -6.781 -0.551 0.634 1.00 1.00 C ATOM 53 C VAL A 5 -7.356 -0.724 2.042 1.00 1.00 C ATOM 54 O VAL A 5 -6.739 -1.362 2.894 1.00 1.00 O ATOM 55 CB VAL A 5 -6.851 -1.831 -0.202 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.269 -2.404 -0.210 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.351 -1.583 -1.626 1.00 1.00 C ATOM 0 H VAL A 5 -4.708 -0.840 0.747 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.394 0.190 0.121 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.195 -2.569 0.259 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.291 -3.313 -0.811 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.573 -2.636 0.811 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -8.955 -1.671 -0.635 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.411 -2.508 -2.199 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.969 -0.821 -2.101 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.316 -1.243 -1.594 1.00 1.00 H new ATOM 63 N LEU A 6 -8.531 -0.146 2.241 1.00 1.00 N ATOM 64 CA LEU A 6 -9.196 -0.229 3.531 1.00 1.00 C ATOM 65 C LEU A 6 -10.428 -1.129 3.408 1.00 1.00 C ATOM 66 O LEU A 6 -11.524 -0.651 3.120 1.00 1.00 O ATOM 67 CB LEU A 6 -9.508 1.171 4.064 1.00 1.00 C ATOM 68 CG LEU A 6 -8.348 2.169 4.047 1.00 1.00 C ATOM 69 CD1 LEU A 6 -8.864 3.610 4.046 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.382 1.906 5.203 1.00 1.00 C ATOM 0 H LEU A 6 -9.040 0.381 1.532 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.538 -0.687 4.270 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.328 1.587 3.478 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -9.865 1.077 5.090 1.00 1.00 H new ATOM 0 HG LEU A 6 -7.789 2.027 3.122 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.019 4.299 4.034 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.480 3.775 3.162 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.461 3.783 4.942 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.567 2.629 5.168 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -7.913 2.003 6.150 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -6.977 0.898 5.116 1.00 1.00 H new ATOM 78 N LYS A 7 -10.206 -2.416 3.633 1.00 1.00 N ATOM 79 CA LYS A 7 -11.284 -3.386 3.551 1.00 1.00 C ATOM 80 C LYS A 7 -12.521 -2.828 4.257 1.00 1.00 C ATOM 81 O LYS A 7 -12.447 -2.416 5.414 1.00 1.00 O ATOM 82 CB LYS A 7 -10.825 -4.742 4.092 1.00 1.00 C ATOM 83 CG LYS A 7 -9.932 -5.463 3.080 1.00 1.00 C ATOM 84 CD LYS A 7 -10.521 -6.823 2.700 1.00 1.00 C ATOM 85 CE LYS A 7 -10.319 -7.111 1.211 1.00 1.00 C ATOM 86 NZ LYS A 7 -11.454 -6.581 0.423 1.00 1.00 N ATOM 0 H LYS A 7 -9.296 -2.809 3.872 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.562 -3.561 2.512 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.281 -4.600 5.026 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.694 -5.359 4.320 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -9.820 -4.849 2.186 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -8.936 -5.599 3.501 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.049 -7.606 3.293 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -11.585 -6.842 2.937 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -9.388 -6.658 0.870 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.228 -8.185 1.051 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -11.302 -6.785 -0.585 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -12.336 -7.033 0.738 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.523 -5.553 0.562 1.00 1.00 H new ATOM 99 N ALA A 8 -13.629 -2.834 3.531 1.00 1.00 N ATOM 100 CA ALA A 8 -14.881 -2.334 4.073 1.00 1.00 C ATOM 101 C ALA A 8 -16.001 -3.328 3.761 1.00 1.00 C ATOM 102 O ALA A 8 -15.897 -4.109 2.816 1.00 1.00 O ATOM 103 CB ALA A 8 -15.163 -0.941 3.507 1.00 1.00 C ATOM 0 H ALA A 8 -13.686 -3.177 2.572 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.818 -2.239 5.157 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.102 -0.566 3.914 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.353 -0.266 3.782 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.235 -0.997 2.421 1.00 1.00 H new ATOM 109 N LYS A 9 -17.047 -3.267 4.572 1.00 1.00 N ATOM 110 CA LYS A 9 -18.185 -4.151 4.393 1.00 1.00 C ATOM 111 C LYS A 9 -19.163 -3.524 3.398 1.00 1.00 C ATOM 112 O LYS A 9 -19.989 -4.221 2.811 1.00 1.00 O ATOM 113 CB LYS A 9 -18.817 -4.492 5.745 1.00 1.00 C ATOM 114 CG LYS A 9 -19.053 -5.997 5.877 1.00 1.00 C ATOM 115 CD LYS A 9 -18.076 -6.620 6.876 1.00 1.00 C ATOM 116 CE LYS A 9 -16.801 -7.092 6.175 1.00 1.00 C ATOM 117 NZ LYS A 9 -16.297 -8.336 6.800 1.00 1.00 N ATOM 0 H LYS A 9 -17.130 -2.619 5.355 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.864 -5.102 3.968 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.167 -4.150 6.551 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.763 -3.961 5.852 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -20.077 -6.181 6.202 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -18.937 -6.474 4.904 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -17.823 -5.891 7.646 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -18.552 -7.462 7.379 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -17.003 -7.265 5.118 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -16.039 -6.315 6.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -15.431 -8.643 6.313 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -16.086 -8.160 7.803 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -17.020 -9.080 6.724 1.00 1.00 H new ATOM 130 N ASN A 10 -19.037 -2.216 3.239 1.00 1.00 N ATOM 131 CA ASN A 10 -19.900 -1.486 2.325 1.00 1.00 C ATOM 132 C ASN A 10 -19.039 -0.770 1.281 1.00 1.00 C ATOM 133 O ASN A 10 -18.977 0.458 1.260 1.00 1.00 O ATOM 134 CB ASN A 10 -20.720 -0.429 3.067 1.00 1.00 C ATOM 135 CG ASN A 10 -21.659 -1.079 4.084 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.252 -1.843 4.945 1.00 1.00 O ATOM 137 ND2 ASN A 10 -22.935 -0.736 3.940 1.00 1.00 N ATOM 0 H ASN A 10 -18.350 -1.641 3.728 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.575 -2.201 1.855 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -20.051 0.265 3.576 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -21.300 0.155 2.352 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -23.640 -1.117 4.571 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -23.209 -0.092 3.198 1.00 1.00 H new ATOM 143 N GLY A 11 -18.398 -1.568 0.441 1.00 1.00 N ATOM 144 CA GLY A 11 -17.545 -1.027 -0.602 1.00 1.00 C ATOM 145 C GLY A 11 -16.177 -0.630 -0.042 1.00 1.00 C ATOM 146 O GLY A 11 -16.088 0.211 0.850 1.00 1.00 O ATOM 0 H GLY A 11 -18.452 -2.586 0.462 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.417 -1.767 -1.392 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.023 -0.158 -1.053 1.00 1.00 H new ATOM 150 N ASP A 12 -15.146 -1.255 -0.590 1.00 1.00 N ATOM 151 CA ASP A 12 -13.786 -0.978 -0.156 1.00 1.00 C ATOM 152 C ASP A 12 -13.473 0.502 -0.386 1.00 1.00 C ATOM 153 O ASP A 12 -14.259 1.216 -1.008 1.00 1.00 O ATOM 154 CB ASP A 12 -12.775 -1.806 -0.950 1.00 1.00 C ATOM 155 CG ASP A 12 -11.422 -2.009 -0.263 1.00 1.00 C ATOM 156 OD1 ASP A 12 -10.554 -1.124 -0.289 1.00 1.00 O ATOM 157 OD2 ASP A 12 -11.276 -3.147 0.325 1.00 1.00 O ATOM 0 H ASP A 12 -15.224 -1.952 -1.330 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.710 -1.235 0.901 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -13.211 -2.784 -1.156 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -12.608 -1.322 -1.912 1.00 1.00 H new ATOM 163 N VAL A 13 -12.325 0.917 0.126 1.00 1.00 N ATOM 164 CA VAL A 13 -11.898 2.299 -0.017 1.00 1.00 C ATOM 165 C VAL A 13 -10.460 2.333 -0.541 1.00 1.00 C ATOM 166 O VAL A 13 -9.544 1.849 0.122 1.00 1.00 O ATOM 167 CB VAL A 13 -12.067 3.039 1.311 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.615 4.496 1.188 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.513 2.953 1.805 1.00 1.00 C ATOM 0 H VAL A 13 -11.677 0.321 0.641 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.522 2.818 -0.745 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.430 2.552 2.050 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.746 5.000 2.146 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.564 4.528 0.902 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.213 5.000 0.429 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.607 3.487 2.751 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.177 3.403 1.067 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.786 1.908 1.950 1.00 1.00 H new ATOM 175 N LYS A 14 -10.309 2.909 -1.725 1.00 1.00 N ATOM 176 CA LYS A 14 -8.999 3.012 -2.345 1.00 1.00 C ATOM 177 C LYS A 14 -8.374 4.361 -1.984 1.00 1.00 C ATOM 178 O LYS A 14 -8.834 5.405 -2.443 1.00 1.00 O ATOM 179 CB LYS A 14 -9.098 2.763 -3.851 1.00 1.00 C ATOM 180 CG LYS A 14 -9.001 4.076 -4.631 1.00 1.00 C ATOM 181 CD LYS A 14 -10.271 4.913 -4.458 1.00 1.00 C ATOM 182 CE LYS A 14 -11.329 4.522 -5.491 1.00 1.00 C ATOM 183 NZ LYS A 14 -11.396 5.533 -6.570 1.00 1.00 N ATOM 0 H LYS A 14 -11.072 3.309 -2.271 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.334 2.239 -1.961 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -8.301 2.089 -4.165 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -10.042 2.268 -4.080 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -8.137 4.644 -4.287 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -8.842 3.864 -5.688 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -10.669 4.773 -3.453 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -10.030 5.971 -4.561 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -11.091 3.546 -5.913 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -12.302 4.432 -5.008 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -12.119 5.253 -7.263 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -11.645 6.458 -6.164 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -10.471 5.599 -7.041 1.00 1.00 H new ATOM 196 N PHE A 15 -7.335 4.295 -1.164 1.00 1.00 N ATOM 197 CA PHE A 15 -6.641 5.498 -0.736 1.00 1.00 C ATOM 198 C PHE A 15 -5.141 5.395 -1.016 1.00 1.00 C ATOM 199 O PHE A 15 -4.403 4.664 -0.358 1.00 1.00 O ATOM 200 CB PHE A 15 -6.860 5.627 0.773 1.00 1.00 C ATOM 201 CG PHE A 15 -6.621 7.036 1.318 1.00 1.00 C ATOM 202 CD1 PHE A 15 -7.039 8.119 0.609 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.992 7.206 2.511 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.817 9.428 1.115 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.771 8.515 3.017 1.00 1.00 C ATOM 206 CZ PHE A 15 -6.188 9.598 2.308 1.00 1.00 C ATOM 0 H PHE A 15 -6.957 3.427 -0.785 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.025 6.362 -1.278 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -7.881 5.326 1.009 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.196 4.932 1.287 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.540 7.984 -0.338 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.660 6.346 3.074 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -7.148 10.288 0.552 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -5.272 8.650 3.965 1.00 1.00 H new ATOM 0 HZ PHE A 15 -6.019 10.593 2.693 1.00 1.00 H new ATOM 216 N PRO A 16 -4.702 6.155 -2.021 1.00 1.00 N ATOM 217 CA PRO A 16 -3.323 6.215 -2.457 1.00 1.00 C ATOM 218 C PRO A 16 -2.528 7.107 -1.513 1.00 1.00 C ATOM 219 O PRO A 16 -2.404 8.300 -1.778 1.00 1.00 O ATOM 220 CB PRO A 16 -3.381 6.816 -3.860 1.00 1.00 C ATOM 221 CG PRO A 16 -4.586 7.719 -3.784 1.00 1.00 C ATOM 222 CD PRO A 16 -5.541 7.025 -2.815 1.00 1.00 C ATOM 0 HA PRO A 16 -2.836 5.240 -2.460 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.474 7.370 -4.101 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.498 6.048 -4.625 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.313 8.712 -3.426 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.044 7.849 -4.764 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.063 7.749 -2.189 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.303 6.458 -3.350 1.00 1.00 H new ATOM 230 N HIS A 17 -2.007 6.521 -0.434 1.00 1.00 N ATOM 231 CA HIS A 17 -1.224 7.247 0.559 1.00 1.00 C ATOM 232 C HIS A 17 -0.183 8.135 -0.146 1.00 1.00 C ATOM 233 O HIS A 17 -0.096 9.329 0.137 1.00 1.00 O ATOM 234 CB HIS A 17 -0.626 6.238 1.552 1.00 1.00 C ATOM 235 CG HIS A 17 -0.049 6.805 2.831 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.265 6.941 3.027 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.658 7.265 3.973 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.468 7.467 4.246 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.314 7.687 4.872 1.00 1.00 N ATOM 0 H HIS A 17 -2.118 5.528 -0.227 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.847 7.928 1.140 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.402 5.521 1.818 1.00 1.00 H new ATOM 0 HB3 HIS A 17 0.160 5.682 1.041 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.994 6.687 2.361 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.724 7.294 4.145 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.440 7.683 4.664 1.00 1.00 H new ATOM 247 N LYS A 18 0.572 7.520 -1.044 1.00 1.00 N ATOM 248 CA LYS A 18 1.594 8.241 -1.784 1.00 1.00 C ATOM 249 C LYS A 18 1.019 9.572 -2.272 1.00 1.00 C ATOM 250 O LYS A 18 1.694 10.600 -2.221 1.00 1.00 O ATOM 251 CB LYS A 18 2.161 7.368 -2.905 1.00 1.00 C ATOM 252 CG LYS A 18 2.892 8.218 -3.945 1.00 1.00 C ATOM 253 CD LYS A 18 3.111 7.432 -5.240 1.00 1.00 C ATOM 254 CE LYS A 18 4.541 6.896 -5.321 1.00 1.00 C ATOM 255 NZ LYS A 18 4.563 5.583 -6.005 1.00 1.00 N ATOM 0 H LYS A 18 0.497 6.530 -1.276 1.00 1.00 H new ATOM 0 HA LYS A 18 2.439 8.476 -1.137 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.846 6.631 -2.486 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.353 6.815 -3.385 1.00 1.00 H new ATOM 0 HG2 LYS A 18 2.314 9.118 -4.155 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.853 8.542 -3.545 1.00 1.00 H new ATOM 0 HD2 LYS A 18 2.405 6.603 -5.290 1.00 1.00 H new ATOM 0 HD3 LYS A 18 2.910 8.074 -6.098 1.00 1.00 H new ATOM 0 HE2 LYS A 18 5.171 7.604 -5.859 1.00 1.00 H new ATOM 0 HE3 LYS A 18 4.956 6.798 -4.318 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 5.541 5.232 -6.052 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 3.978 4.906 -5.476 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 4.186 5.687 -6.969 1.00 1.00 H new ATOM 268 N ALA A 19 -0.222 9.511 -2.734 1.00 1.00 N ATOM 269 CA ALA A 19 -0.894 10.698 -3.231 1.00 1.00 C ATOM 270 C ALA A 19 -1.054 11.705 -2.090 1.00 1.00 C ATOM 271 O ALA A 19 -0.741 12.884 -2.241 1.00 1.00 O ATOM 272 CB ALA A 19 -2.235 10.303 -3.852 1.00 1.00 C ATOM 0 H ALA A 19 -0.779 8.657 -2.774 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.301 11.176 -4.011 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.740 11.194 -4.225 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -2.064 9.611 -4.676 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.858 9.822 -3.098 1.00 1.00 H new ATOM 278 N HIS A 20 -1.546 11.200 -0.958 1.00 1.00 N ATOM 279 CA HIS A 20 -1.769 12.004 0.237 1.00 1.00 C ATOM 280 C HIS A 20 -0.458 12.124 1.036 1.00 1.00 C ATOM 281 O HIS A 20 -0.482 12.472 2.215 1.00 1.00 O ATOM 282 CB HIS A 20 -2.940 11.405 1.031 1.00 1.00 C ATOM 283 CG HIS A 20 -4.331 11.797 0.589 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.753 11.657 -0.671 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.386 12.333 1.289 1.00 1.00 C ATOM 286 CE1 HIS A 20 -6.021 12.088 -0.754 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.461 12.516 0.428 1.00 1.00 N ATOM 0 H HIS A 20 -1.801 10.219 -0.847 1.00 1.00 H new ATOM 0 HA HIS A 20 -2.055 13.024 -0.018 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.862 10.319 0.985 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.823 11.689 2.077 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.201 11.284 -1.443 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -5.380 12.574 2.342 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.608 12.088 -1.661 1.00 1.00 H new ATOM 295 N GLN A 21 0.645 11.830 0.363 1.00 1.00 N ATOM 296 CA GLN A 21 1.950 11.903 0.996 1.00 1.00 C ATOM 297 C GLN A 21 2.757 13.067 0.418 1.00 1.00 C ATOM 298 O GLN A 21 3.814 13.414 0.941 1.00 1.00 O ATOM 299 CB GLN A 21 2.707 10.582 0.844 1.00 1.00 C ATOM 300 CG GLN A 21 3.465 10.234 2.127 1.00 1.00 C ATOM 301 CD GLN A 21 3.730 8.729 2.215 1.00 1.00 C ATOM 302 OE1 GLN A 21 3.488 7.974 1.288 1.00 1.00 O ATOM 303 NE2 GLN A 21 4.240 8.337 3.379 1.00 1.00 N ATOM 0 H GLN A 21 0.661 11.541 -0.615 1.00 1.00 H new ATOM 0 HA GLN A 21 1.806 12.081 2.062 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.006 9.783 0.603 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.407 10.654 0.012 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.410 10.776 2.154 1.00 1.00 H new ATOM 0 HG3 GLN A 21 2.888 10.557 2.994 1.00 1.00 H new ATOM 0 HE21 GLN A 21 4.419 9.021 4.114 1.00 1.00 H new ATOM 0 HE22 GLN A 21 4.453 7.352 3.537 1.00 1.00 H new ATOM 311 N LYS A 22 2.226 13.639 -0.653 1.00 1.00 N ATOM 312 CA LYS A 22 2.884 14.757 -1.307 1.00 1.00 C ATOM 313 C LYS A 22 1.924 15.947 -1.362 1.00 1.00 C ATOM 314 O LYS A 22 2.336 17.069 -1.652 1.00 1.00 O ATOM 315 CB LYS A 22 3.421 14.336 -2.677 1.00 1.00 C ATOM 316 CG LYS A 22 4.949 14.265 -2.669 1.00 1.00 C ATOM 317 CD LYS A 22 5.498 14.135 -4.091 1.00 1.00 C ATOM 318 CE LYS A 22 5.734 12.667 -4.455 1.00 1.00 C ATOM 319 NZ LYS A 22 5.172 12.368 -5.792 1.00 1.00 N ATOM 0 H LYS A 22 1.348 13.349 -1.084 1.00 1.00 H new ATOM 0 HA LYS A 22 3.754 15.075 -0.733 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.010 13.364 -2.950 1.00 1.00 H new ATOM 0 HB3 LYS A 22 3.090 15.046 -3.435 1.00 1.00 H new ATOM 0 HG2 LYS A 22 5.356 15.160 -2.198 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.274 13.414 -2.070 1.00 1.00 H new ATOM 0 HD2 LYS A 22 4.798 14.581 -4.797 1.00 1.00 H new ATOM 0 HD3 LYS A 22 6.433 14.689 -4.176 1.00 1.00 H new ATOM 0 HE2 LYS A 22 6.802 12.451 -4.446 1.00 1.00 H new ATOM 0 HE3 LYS A 22 5.272 12.022 -3.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 5.341 11.368 -6.024 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 4.149 12.555 -5.788 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 5.631 12.971 -6.504 1.00 1.00 H new ATOM 332 N ALA A 23 0.661 15.661 -1.078 1.00 1.00 N ATOM 333 CA ALA A 23 -0.360 16.693 -1.091 1.00 1.00 C ATOM 334 C ALA A 23 -0.289 17.493 0.212 1.00 1.00 C ATOM 335 O ALA A 23 -0.971 18.506 0.361 1.00 1.00 O ATOM 336 CB ALA A 23 -1.733 16.052 -1.306 1.00 1.00 C ATOM 0 H ALA A 23 0.323 14.729 -0.838 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.191 17.387 -1.914 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.499 16.827 -1.316 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.742 15.521 -2.258 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.937 15.350 -0.498 1.00 1.00 H new ATOM 342 N VAL A 24 0.543 17.008 1.121 1.00 1.00 N ATOM 343 CA VAL A 24 0.714 17.664 2.406 1.00 1.00 C ATOM 344 C VAL A 24 2.206 17.871 2.675 1.00 1.00 C ATOM 345 O VAL A 24 2.849 17.112 3.397 1.00 1.00 O ATOM 346 CB VAL A 24 0.014 16.858 3.503 1.00 1.00 C ATOM 347 CG1 VAL A 24 -0.458 17.770 4.637 1.00 1.00 C ATOM 348 CG2 VAL A 24 -1.152 16.049 2.929 1.00 1.00 C ATOM 0 H VAL A 24 1.107 16.168 0.993 1.00 1.00 H new ATOM 0 HA VAL A 24 0.247 18.649 2.397 1.00 1.00 H new ATOM 0 HB VAL A 24 0.738 16.156 3.917 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -0.952 17.172 5.403 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.400 18.282 5.073 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -1.159 18.507 4.244 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -1.632 15.485 3.729 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -1.877 16.726 2.476 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -0.778 15.359 2.173 1.00 1.00 H new ATOM 354 N PRO A 25 2.747 18.929 2.070 1.00 1.00 N ATOM 355 CA PRO A 25 4.138 19.313 2.186 1.00 1.00 C ATOM 356 C PRO A 25 4.673 18.887 3.546 1.00 1.00 C ATOM 357 O PRO A 25 5.821 18.453 3.624 1.00 1.00 O ATOM 358 CB PRO A 25 4.138 20.834 2.050 1.00 1.00 C ATOM 359 CG PRO A 25 2.979 21.006 0.975 1.00 1.00 C ATOM 360 CD PRO A 25 2.021 19.842 1.214 1.00 1.00 C ATOM 0 HA PRO A 25 4.772 18.844 1.433 1.00 1.00 H new ATOM 0 HB2 PRO A 25 3.914 21.338 2.990 1.00 1.00 H new ATOM 0 HB3 PRO A 25 5.094 21.223 1.700 1.00 1.00 H new ATOM 0 HG2 PRO A 25 2.471 21.963 1.096 1.00 1.00 H new ATOM 0 HG3 PRO A 25 3.378 20.983 -0.039 1.00 1.00 H new ATOM 0 HD2 PRO A 25 1.100 20.180 1.689 1.00 1.00 H new ATOM 0 HD3 PRO A 25 1.739 19.364 0.276 1.00 1.00 H new ATOM 368 N ASP A 26 3.848 19.017 4.575 1.00 1.00 N ATOM 369 CA ASP A 26 4.262 18.641 5.916 1.00 1.00 C ATOM 370 C ASP A 26 3.111 17.914 6.616 1.00 1.00 C ATOM 371 O ASP A 26 2.331 18.531 7.339 1.00 1.00 O ATOM 372 CB ASP A 26 4.616 19.875 6.750 1.00 1.00 C ATOM 373 CG ASP A 26 5.171 19.575 8.144 1.00 1.00 C ATOM 374 OD1 ASP A 26 6.371 19.749 8.405 1.00 1.00 O ATOM 375 OD2 ASP A 26 4.303 19.141 8.994 1.00 1.00 O ATOM 0 H ASP A 26 2.896 19.377 4.507 1.00 1.00 H new ATOM 0 HA ASP A 26 5.139 17.999 5.830 1.00 1.00 H new ATOM 0 HB2 ASP A 26 5.350 20.467 6.203 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.724 20.492 6.856 1.00 1.00 H new ATOM 381 N CYS A 27 3.041 16.614 6.374 1.00 1.00 N ATOM 382 CA CYS A 27 1.998 15.797 6.970 1.00 1.00 C ATOM 383 C CYS A 27 1.940 16.108 8.468 1.00 1.00 C ATOM 384 O CYS A 27 2.527 17.089 8.924 1.00 1.00 O ATOM 385 CB CYS A 27 2.227 14.307 6.707 1.00 1.00 C ATOM 386 SG CYS A 27 3.728 13.610 7.490 1.00 1.00 S ATOM 0 H CYS A 27 3.690 16.106 5.773 1.00 1.00 H new ATOM 0 HA CYS A 27 1.039 16.038 6.512 1.00 1.00 H new ATOM 0 HB2 CYS A 27 1.358 13.752 7.062 1.00 1.00 H new ATOM 0 HB3 CYS A 27 2.289 14.148 5.630 1.00 1.00 H new ATOM 391 N LYS A 28 1.228 15.256 9.190 1.00 1.00 N ATOM 392 CA LYS A 28 1.087 15.429 10.626 1.00 1.00 C ATOM 393 C LYS A 28 -0.288 16.027 10.930 1.00 1.00 C ATOM 394 O LYS A 28 -0.708 16.073 12.085 1.00 1.00 O ATOM 395 CB LYS A 28 2.251 16.251 11.184 1.00 1.00 C ATOM 396 CG LYS A 28 2.341 16.111 12.705 1.00 1.00 C ATOM 397 CD LYS A 28 3.359 17.093 13.287 1.00 1.00 C ATOM 398 CE LYS A 28 3.407 16.993 14.813 1.00 1.00 C ATOM 399 NZ LYS A 28 4.758 17.335 15.313 1.00 1.00 N ATOM 0 H LYS A 28 0.743 14.444 8.808 1.00 1.00 H new ATOM 0 HA LYS A 28 1.136 14.465 11.132 1.00 1.00 H new ATOM 0 HB2 LYS A 28 3.185 15.921 10.729 1.00 1.00 H new ATOM 0 HB3 LYS A 28 2.120 17.300 10.919 1.00 1.00 H new ATOM 0 HG2 LYS A 28 1.362 16.291 13.149 1.00 1.00 H new ATOM 0 HG3 LYS A 28 2.625 15.091 12.964 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.346 16.886 12.874 1.00 1.00 H new ATOM 0 HD3 LYS A 28 3.098 18.110 12.994 1.00 1.00 H new ATOM 0 HE2 LYS A 28 2.670 17.666 15.251 1.00 1.00 H new ATOM 0 HE3 LYS A 28 3.142 15.983 15.126 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 4.773 17.262 16.350 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.454 16.676 14.910 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 4.997 18.307 15.031 1.00 1.00 H new ATOM 412 N LYS A 29 -0.952 16.471 9.873 1.00 1.00 N ATOM 413 CA LYS A 29 -2.272 17.065 10.011 1.00 1.00 C ATOM 414 C LYS A 29 -3.284 15.971 10.359 1.00 1.00 C ATOM 415 O LYS A 29 -4.357 16.258 10.886 1.00 1.00 O ATOM 416 CB LYS A 29 -2.635 17.863 8.758 1.00 1.00 C ATOM 417 CG LYS A 29 -3.747 18.870 9.053 1.00 1.00 C ATOM 418 CD LYS A 29 -3.294 20.297 8.736 1.00 1.00 C ATOM 419 CE LYS A 29 -3.916 20.792 7.429 1.00 1.00 C ATOM 420 NZ LYS A 29 -4.256 22.229 7.527 1.00 1.00 N ATOM 0 H LYS A 29 -0.601 16.431 8.916 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.283 17.783 10.831 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.754 18.387 8.388 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.956 17.182 7.969 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.630 18.625 8.462 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.036 18.801 10.102 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.577 20.962 9.552 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -2.207 20.329 8.661 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -3.220 20.632 6.605 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -4.813 20.215 7.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -4.677 22.548 6.631 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.937 22.373 8.300 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -3.393 22.778 7.719 1.00 1.00 H new ATOM 433 N CYS A 30 -2.905 14.740 10.050 1.00 1.00 N ATOM 434 CA CYS A 30 -3.766 13.601 10.323 1.00 1.00 C ATOM 435 C CYS A 30 -3.114 12.757 11.420 1.00 1.00 C ATOM 436 O CYS A 30 -3.785 12.284 12.334 1.00 1.00 O ATOM 437 CB CYS A 30 -4.039 12.783 9.060 1.00 1.00 C ATOM 438 SG CYS A 30 -3.697 13.794 7.573 1.00 1.00 S ATOM 0 H CYS A 30 -2.013 14.506 9.613 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.739 13.952 10.667 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -3.415 11.889 9.054 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -5.076 12.448 9.051 1.00 1.00 H new ATOM 443 N HIS A 31 -1.797 12.591 11.294 1.00 1.00 N ATOM 444 CA HIS A 31 -1.002 11.817 12.243 1.00 1.00 C ATOM 445 C HIS A 31 -0.561 12.720 13.409 1.00 1.00 C ATOM 446 O HIS A 31 0.608 12.708 13.792 1.00 1.00 O ATOM 447 CB HIS A 31 0.155 11.146 11.490 1.00 1.00 C ATOM 448 CG HIS A 31 -0.217 10.219 10.356 1.00 1.00 C ATOM 449 ND1 HIS A 31 -1.253 9.376 10.427 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.345 10.030 9.117 1.00 1.00 C ATOM 451 CE1 HIS A 31 -1.333 8.690 9.276 1.00 1.00 C ATOM 452 NE2 HIS A 31 -0.368 9.054 8.433 1.00 1.00 N ATOM 0 H HIS A 31 -1.252 12.991 10.530 1.00 1.00 H new ATOM 0 HA HIS A 31 -1.587 11.016 12.695 1.00 1.00 H new ATOM 0 HB2 HIS A 31 0.800 11.929 11.091 1.00 1.00 H new ATOM 0 HB3 HIS A 31 0.747 10.581 12.210 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -1.880 9.272 11.225 1.00 1.00 H new ATOM 0 HD2 HIS A 31 1.206 10.558 8.735 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -2.081 7.941 9.062 1.00 1.00 H new ATOM 460 N GLU A 32 -1.515 13.473 13.936 1.00 1.00 N ATOM 461 CA GLU A 32 -1.235 14.371 15.044 1.00 1.00 C ATOM 462 C GLU A 32 -0.789 13.574 16.272 1.00 1.00 C ATOM 463 O GLU A 32 -1.517 13.493 17.260 1.00 1.00 O ATOM 464 CB GLU A 32 -2.451 15.241 15.366 1.00 1.00 C ATOM 465 CG GLU A 32 -2.054 16.442 16.226 1.00 1.00 C ATOM 466 CD GLU A 32 -3.266 17.327 16.526 1.00 1.00 C ATOM 467 OE1 GLU A 32 -3.571 18.245 15.751 1.00 1.00 O ATOM 468 OE2 GLU A 32 -3.901 17.032 17.610 1.00 1.00 O ATOM 0 H GLU A 32 -2.484 13.480 13.616 1.00 1.00 H new ATOM 0 HA GLU A 32 -0.422 15.036 14.752 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.910 15.588 14.440 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -3.200 14.646 15.889 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -1.613 16.095 17.160 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -1.291 17.026 15.711 1.00 1.00 H new ATOM 476 N LYS A 33 0.404 13.008 16.169 1.00 1.00 N ATOM 477 CA LYS A 33 0.955 12.221 17.259 1.00 1.00 C ATOM 478 C LYS A 33 2.112 11.369 16.734 1.00 1.00 C ATOM 479 O LYS A 33 3.242 11.494 17.200 1.00 1.00 O ATOM 480 CB LYS A 33 -0.146 11.409 17.944 1.00 1.00 C ATOM 481 CG LYS A 33 0.372 10.035 18.373 1.00 1.00 C ATOM 482 CD LYS A 33 -0.317 9.566 19.656 1.00 1.00 C ATOM 483 CE LYS A 33 0.484 8.450 20.331 1.00 1.00 C ATOM 484 NZ LYS A 33 -0.042 8.184 21.689 1.00 1.00 N ATOM 0 H LYS A 33 1.005 13.079 15.348 1.00 1.00 H new ATOM 0 HA LYS A 33 1.364 12.873 18.030 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.514 11.951 18.815 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -0.990 11.288 17.264 1.00 1.00 H new ATOM 0 HG2 LYS A 33 0.197 9.312 17.577 1.00 1.00 H new ATOM 0 HG3 LYS A 33 1.450 10.081 18.531 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -0.427 10.406 20.342 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -1.321 9.210 19.425 1.00 1.00 H new ATOM 0 HE2 LYS A 33 0.432 7.542 19.730 1.00 1.00 H new ATOM 0 HE3 LYS A 33 1.535 8.733 20.390 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 0.512 7.424 22.133 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 0.030 9.047 22.264 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -1.038 7.893 21.625 1.00 1.00 H new ATOM 497 N GLY A 34 1.787 10.519 15.769 1.00 1.00 N ATOM 498 CA GLY A 34 2.785 9.647 15.175 1.00 1.00 C ATOM 499 C GLY A 34 2.142 8.675 14.182 1.00 1.00 C ATOM 500 O GLY A 34 0.947 8.392 14.227 1.00 1.00 O ATOM 0 H GLY A 34 0.848 10.417 15.385 1.00 1.00 H new ATOM 0 HA2 GLY A 34 3.540 10.246 14.666 1.00 1.00 H new ATOM 0 HA3 GLY A 34 3.297 9.087 15.958 1.00 1.00 H new ATOM 504 N PRO A 35 2.976 8.165 13.272 1.00 1.00 N ATOM 505 CA PRO A 35 2.583 7.229 12.242 1.00 1.00 C ATOM 506 C PRO A 35 1.957 5.998 12.881 1.00 1.00 C ATOM 507 O PRO A 35 1.494 6.090 14.018 1.00 1.00 O ATOM 508 CB PRO A 35 3.882 6.871 11.523 1.00 1.00 C ATOM 509 CG PRO A 35 5.032 7.227 12.595 1.00 1.00 C ATOM 510 CD PRO A 35 4.387 8.477 13.191 1.00 1.00 C ATOM 0 HA PRO A 35 1.844 7.641 11.555 1.00 1.00 H new ATOM 0 HB2 PRO A 35 3.907 5.817 11.246 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.001 7.445 10.604 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.188 6.437 13.330 1.00 1.00 H new ATOM 0 HG3 PRO A 35 5.998 7.427 12.132 1.00 1.00 H new ATOM 0 HD2 PRO A 35 4.799 8.703 14.175 1.00 1.00 H new ATOM 0 HD3 PRO A 35 4.563 9.350 12.563 1.00 1.00 H new ATOM 518 N GLY A 36 1.952 4.889 12.156 1.00 1.00 N ATOM 519 CA GLY A 36 1.377 3.659 12.675 1.00 1.00 C ATOM 520 C GLY A 36 -0.150 3.755 12.748 1.00 1.00 C ATOM 521 O GLY A 36 -0.710 4.848 12.669 1.00 1.00 O ATOM 0 H GLY A 36 2.337 4.816 11.214 1.00 1.00 H new ATOM 0 HA2 GLY A 36 1.662 2.822 12.037 1.00 1.00 H new ATOM 0 HA3 GLY A 36 1.780 3.455 13.667 1.00 1.00 H new ATOM 525 N LYS A 37 -0.777 2.599 12.898 1.00 1.00 N ATOM 526 CA LYS A 37 -2.226 2.538 12.983 1.00 1.00 C ATOM 527 C LYS A 37 -2.731 3.706 13.834 1.00 1.00 C ATOM 528 O LYS A 37 -2.496 3.746 15.040 1.00 1.00 O ATOM 529 CB LYS A 37 -2.677 1.168 13.489 1.00 1.00 C ATOM 530 CG LYS A 37 -2.170 0.914 14.910 1.00 1.00 C ATOM 531 CD LYS A 37 -3.325 0.560 15.849 1.00 1.00 C ATOM 532 CE LYS A 37 -2.817 -0.185 17.086 1.00 1.00 C ATOM 533 NZ LYS A 37 -3.368 -1.558 17.127 1.00 1.00 N ATOM 0 H LYS A 37 -0.308 1.696 12.963 1.00 1.00 H new ATOM 0 HA LYS A 37 -2.671 2.647 11.994 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -3.765 1.110 13.472 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -2.306 0.390 12.822 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -1.442 0.103 14.901 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.654 1.800 15.280 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.842 1.470 16.155 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -4.052 -0.057 15.321 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -1.728 -0.224 17.072 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -3.105 0.356 17.987 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -3.013 -2.049 17.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -4.406 -1.514 17.162 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -3.072 -2.076 16.275 1.00 1.00 H new ATOM 546 N ILE A 38 -3.417 4.626 13.171 1.00 1.00 N ATOM 547 CA ILE A 38 -3.958 5.790 13.852 1.00 1.00 C ATOM 548 C ILE A 38 -4.771 5.334 15.065 1.00 1.00 C ATOM 549 O ILE A 38 -5.518 4.360 14.985 1.00 1.00 O ATOM 550 CB ILE A 38 -4.747 6.664 12.875 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.810 7.556 12.058 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.817 7.476 13.607 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.524 8.119 10.827 1.00 1.00 C ATOM 0 H ILE A 38 -3.610 4.589 12.170 1.00 1.00 H new ATOM 0 HA ILE A 38 -3.152 6.421 14.227 1.00 1.00 H new ATOM 0 HB ILE A 38 -5.264 6.010 12.172 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -3.448 8.375 12.679 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -2.937 6.983 11.746 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -6.363 8.088 12.890 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.509 6.799 14.107 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.342 8.120 14.347 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.836 8.749 10.264 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -4.863 7.298 10.196 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -5.382 8.711 11.144 1.00 1.00 H new ATOM 560 N GLU A 39 -4.600 6.061 16.159 1.00 1.00 N ATOM 561 CA GLU A 39 -5.310 5.744 17.387 1.00 1.00 C ATOM 562 C GLU A 39 -6.620 5.020 17.070 1.00 1.00 C ATOM 563 O GLU A 39 -7.632 5.658 16.783 1.00 1.00 O ATOM 564 CB GLU A 39 -5.566 7.005 18.214 1.00 1.00 C ATOM 565 CG GLU A 39 -6.500 7.965 17.475 1.00 1.00 C ATOM 566 CD GLU A 39 -7.836 8.103 18.209 1.00 1.00 C ATOM 567 OE1 GLU A 39 -8.881 7.702 17.675 1.00 1.00 O ATOM 568 OE2 GLU A 39 -7.763 8.650 19.375 1.00 1.00 O ATOM 0 H GLU A 39 -3.980 6.869 16.221 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.685 5.079 17.984 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -6.005 6.732 19.174 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -4.620 7.503 18.426 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -6.027 8.943 17.387 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -6.673 7.602 16.462 1.00 1.00 H new ATOM 576 N GLY A 40 -6.559 3.698 17.135 1.00 1.00 N ATOM 577 CA GLY A 40 -7.728 2.881 16.859 1.00 1.00 C ATOM 578 C GLY A 40 -8.649 3.566 15.848 1.00 1.00 C ATOM 579 O GLY A 40 -9.757 3.977 16.190 1.00 1.00 O ATOM 0 H GLY A 40 -5.718 3.173 17.375 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.415 1.911 16.472 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.273 2.695 17.785 1.00 1.00 H new ATOM 583 N PHE A 41 -8.158 3.666 14.621 1.00 1.00 N ATOM 584 CA PHE A 41 -8.923 4.295 13.557 1.00 1.00 C ATOM 585 C PHE A 41 -10.262 3.583 13.352 1.00 1.00 C ATOM 586 O PHE A 41 -10.323 2.355 13.355 1.00 1.00 O ATOM 587 CB PHE A 41 -8.092 4.173 12.278 1.00 1.00 C ATOM 588 CG PHE A 41 -8.795 4.706 11.028 1.00 1.00 C ATOM 589 CD1 PHE A 41 -8.661 6.013 10.676 1.00 1.00 C ATOM 590 CD2 PHE A 41 -9.554 3.872 10.266 1.00 1.00 C ATOM 591 CE1 PHE A 41 -9.313 6.507 9.515 1.00 1.00 C ATOM 592 CE2 PHE A 41 -10.206 4.366 9.105 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.072 5.674 8.755 1.00 1.00 C ATOM 0 H PHE A 41 -7.240 3.322 14.340 1.00 1.00 H new ATOM 0 HA PHE A 41 -9.130 5.335 13.810 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.154 4.712 12.413 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -7.837 3.125 12.121 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -8.058 6.675 11.280 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -9.661 2.834 10.544 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -9.206 7.545 9.236 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.808 3.704 8.500 1.00 1.00 H new ATOM 0 HZ PHE A 41 -10.569 6.050 7.873 1.00 1.00 H new ATOM 603 N GLY A 42 -11.301 4.386 13.177 1.00 1.00 N ATOM 604 CA GLY A 42 -12.635 3.849 12.971 1.00 1.00 C ATOM 605 C GLY A 42 -13.373 4.620 11.874 1.00 1.00 C ATOM 606 O GLY A 42 -12.877 5.633 11.381 1.00 1.00 O ATOM 0 H GLY A 42 -11.246 5.405 13.174 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.569 2.796 12.699 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.200 3.903 13.901 1.00 1.00 H new ATOM 610 N LYS A 43 -14.546 4.113 11.525 1.00 1.00 N ATOM 611 CA LYS A 43 -15.357 4.741 10.496 1.00 1.00 C ATOM 612 C LYS A 43 -15.752 6.148 10.952 1.00 1.00 C ATOM 613 O LYS A 43 -15.466 7.128 10.267 1.00 1.00 O ATOM 614 CB LYS A 43 -16.550 3.853 10.138 1.00 1.00 C ATOM 615 CG LYS A 43 -16.133 2.734 9.181 1.00 1.00 C ATOM 616 CD LYS A 43 -15.169 1.761 9.862 1.00 1.00 C ATOM 617 CE LYS A 43 -13.719 2.217 9.693 1.00 1.00 C ATOM 618 NZ LYS A 43 -12.932 1.188 8.980 1.00 1.00 N ATOM 0 H LYS A 43 -14.954 3.274 11.937 1.00 1.00 H new ATOM 0 HA LYS A 43 -14.785 4.853 9.575 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -16.972 3.422 11.046 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.332 4.457 9.678 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -17.017 2.196 8.838 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -15.659 3.163 8.298 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.410 1.688 10.923 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.292 0.765 9.438 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.689 3.155 9.139 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.276 2.410 10.670 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.356 0.656 9.663 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -13.577 0.536 8.490 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -12.309 1.647 8.285 1.00 1.00 H new ATOM 631 N GLU A 44 -16.403 6.200 12.105 1.00 1.00 N ATOM 632 CA GLU A 44 -16.840 7.470 12.660 1.00 1.00 C ATOM 633 C GLU A 44 -15.761 8.536 12.459 1.00 1.00 C ATOM 634 O GLU A 44 -16.073 9.700 12.211 1.00 1.00 O ATOM 635 CB GLU A 44 -17.199 7.326 14.140 1.00 1.00 C ATOM 636 CG GLU A 44 -17.847 8.606 14.674 1.00 1.00 C ATOM 637 CD GLU A 44 -18.701 9.278 13.596 1.00 1.00 C ATOM 638 OE1 GLU A 44 -19.553 8.622 12.981 1.00 1.00 O ATOM 639 OE2 GLU A 44 -18.454 10.531 13.408 1.00 1.00 O ATOM 0 H GLU A 44 -16.638 5.384 12.670 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.739 7.786 12.131 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -17.881 6.486 14.272 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.301 7.101 14.716 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.466 8.371 15.540 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -17.074 9.295 15.013 1.00 1.00 H new ATOM 647 N MET A 45 -14.516 8.101 12.573 1.00 1.00 N ATOM 648 CA MET A 45 -13.389 9.004 12.407 1.00 1.00 C ATOM 649 C MET A 45 -13.195 9.374 10.936 1.00 1.00 C ATOM 650 O MET A 45 -12.938 10.532 10.611 1.00 1.00 O ATOM 651 CB MET A 45 -12.118 8.338 12.939 1.00 1.00 C ATOM 652 CG MET A 45 -11.354 9.281 13.869 1.00 1.00 C ATOM 653 SD MET A 45 -11.769 8.931 15.569 1.00 1.00 S ATOM 654 CE MET A 45 -12.495 10.491 16.039 1.00 1.00 C ATOM 0 H MET A 45 -14.262 7.135 12.778 1.00 1.00 H new ATOM 0 HA MET A 45 -13.593 9.916 12.967 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.378 7.425 13.475 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.479 8.047 12.105 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.281 9.165 13.717 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.599 10.316 13.632 1.00 1.00 H new ATOM 0 HE1 MET A 45 -12.812 10.446 17.081 1.00 1.00 H new ATOM 0 HE2 MET A 45 -11.759 11.286 15.918 1.00 1.00 H new ATOM 0 HE3 MET A 45 -13.358 10.696 15.406 1.00 1.00 H new ATOM 664 N ALA A 46 -13.326 8.367 10.084 1.00 1.00 N ATOM 665 CA ALA A 46 -13.168 8.571 8.654 1.00 1.00 C ATOM 666 C ALA A 46 -14.028 9.758 8.215 1.00 1.00 C ATOM 667 O ALA A 46 -13.510 10.810 7.847 1.00 1.00 O ATOM 668 CB ALA A 46 -13.527 7.283 7.910 1.00 1.00 C ATOM 0 H ALA A 46 -13.540 7.408 10.357 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.132 8.807 8.413 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.408 7.437 6.838 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -12.868 6.479 8.236 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.561 7.015 8.126 1.00 1.00 H new ATOM 674 N HIS A 47 -15.344 9.549 8.266 1.00 1.00 N ATOM 675 CA HIS A 47 -16.322 10.562 7.886 1.00 1.00 C ATOM 676 C HIS A 47 -16.161 11.802 8.783 1.00 1.00 C ATOM 677 O HIS A 47 -16.712 12.860 8.481 1.00 1.00 O ATOM 678 CB HIS A 47 -17.724 9.936 7.920 1.00 1.00 C ATOM 679 CG HIS A 47 -17.860 8.542 7.352 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.177 7.486 8.107 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.710 8.066 6.072 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.223 6.394 7.327 1.00 1.00 C ATOM 683 NE2 HIS A 47 -17.942 6.696 6.061 1.00 1.00 N ATOM 0 H HIS A 47 -15.760 8.670 8.573 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.160 10.911 6.866 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.062 9.916 8.956 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.403 10.593 7.376 1.00 1.00 H new ATOM 0 HD1 HIS A 47 -18.355 7.506 9.111 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.452 8.663 5.210 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -18.457 5.401 7.680 1.00 1.00 H new ATOM 691 N GLY A 48 -15.408 11.630 9.860 1.00 1.00 N ATOM 692 CA GLY A 48 -15.172 12.720 10.790 1.00 1.00 C ATOM 693 C GLY A 48 -14.253 13.778 10.176 1.00 1.00 C ATOM 694 O GLY A 48 -14.524 14.284 9.087 1.00 1.00 O ATOM 0 H GLY A 48 -14.954 10.751 10.109 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.122 13.176 11.069 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.724 12.331 11.705 1.00 1.00 H new ATOM 698 N LYS A 49 -13.185 14.081 10.899 1.00 1.00 N ATOM 699 CA LYS A 49 -12.225 15.070 10.438 1.00 1.00 C ATOM 700 C LYS A 49 -10.898 14.377 10.121 1.00 1.00 C ATOM 701 O LYS A 49 -9.830 14.896 10.443 1.00 1.00 O ATOM 702 CB LYS A 49 -12.098 16.208 11.452 1.00 1.00 C ATOM 703 CG LYS A 49 -11.637 17.499 10.773 1.00 1.00 C ATOM 704 CD LYS A 49 -10.546 18.191 11.595 1.00 1.00 C ATOM 705 CE LYS A 49 -11.064 19.496 12.204 1.00 1.00 C ATOM 706 NZ LYS A 49 -9.937 20.397 12.530 1.00 1.00 N ATOM 0 H LYS A 49 -12.963 13.659 11.801 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.571 15.535 9.515 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -13.058 16.373 11.941 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.388 15.929 12.230 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -11.259 17.275 9.776 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -12.485 18.172 10.648 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -10.206 17.525 12.388 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -9.684 18.398 10.961 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -11.740 19.988 11.505 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -11.638 19.281 13.105 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -10.305 21.278 12.942 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -9.307 19.931 13.214 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -9.406 20.616 11.663 1.00 1.00 H new ATOM 719 N GLY A 50 -11.009 13.215 9.495 1.00 1.00 N ATOM 720 CA GLY A 50 -9.831 12.445 9.132 1.00 1.00 C ATOM 721 C GLY A 50 -10.074 11.639 7.855 1.00 1.00 C ATOM 722 O GLY A 50 -9.591 10.515 7.723 1.00 1.00 O ATOM 0 H GLY A 50 -11.896 12.788 9.230 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.984 13.116 8.987 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.568 11.771 9.947 1.00 1.00 H new ATOM 726 N CYS A 51 -10.826 12.243 6.945 1.00 1.00 N ATOM 727 CA CYS A 51 -11.140 11.595 5.683 1.00 1.00 C ATOM 728 C CYS A 51 -12.013 12.544 4.860 1.00 1.00 C ATOM 729 O CYS A 51 -11.587 13.039 3.818 1.00 1.00 O ATOM 730 CB CYS A 51 -11.815 10.238 5.896 1.00 1.00 C ATOM 731 SG CYS A 51 -11.300 8.932 4.724 1.00 1.00 S ATOM 0 H CYS A 51 -11.227 13.174 7.057 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.219 11.387 5.139 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.605 9.899 6.911 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.894 10.369 5.820 1.00 1.00 H new ATOM 736 N LYS A 52 -13.220 12.770 5.360 1.00 1.00 N ATOM 737 CA LYS A 52 -14.156 13.650 4.684 1.00 1.00 C ATOM 738 C LYS A 52 -14.036 15.060 5.267 1.00 1.00 C ATOM 739 O LYS A 52 -13.749 16.012 4.544 1.00 1.00 O ATOM 740 CB LYS A 52 -15.573 13.076 4.748 1.00 1.00 C ATOM 741 CG LYS A 52 -16.574 14.010 4.064 1.00 1.00 C ATOM 742 CD LYS A 52 -17.647 14.478 5.047 1.00 1.00 C ATOM 743 CE LYS A 52 -18.929 14.877 4.313 1.00 1.00 C ATOM 744 NZ LYS A 52 -18.902 16.315 3.965 1.00 1.00 N ATOM 0 H LYS A 52 -13.570 12.358 6.225 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.914 13.722 3.624 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.595 12.098 4.267 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.862 12.926 5.788 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -16.050 14.873 3.654 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -17.043 13.495 3.226 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -17.865 13.682 5.759 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -17.274 15.326 5.621 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -19.037 14.280 3.408 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -19.795 14.665 4.940 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -19.800 16.580 3.513 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -18.770 16.879 4.829 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -18.117 16.499 3.308 1.00 1.00 H new ATOM 757 N GLY A 53 -14.263 15.148 6.569 1.00 1.00 N ATOM 758 CA GLY A 53 -14.184 16.425 7.259 1.00 1.00 C ATOM 759 C GLY A 53 -13.086 17.304 6.658 1.00 1.00 C ATOM 760 O GLY A 53 -13.308 18.485 6.394 1.00 1.00 O ATOM 0 H GLY A 53 -14.502 14.356 7.165 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -15.143 16.938 7.193 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.984 16.259 8.318 1.00 1.00 H new ATOM 764 N CYS A 54 -11.926 16.696 6.459 1.00 1.00 N ATOM 765 CA CYS A 54 -10.794 17.409 5.895 1.00 1.00 C ATOM 766 C CYS A 54 -11.259 18.118 4.622 1.00 1.00 C ATOM 767 O CYS A 54 -11.301 19.346 4.562 1.00 1.00 O ATOM 768 CB CYS A 54 -9.611 16.474 5.629 1.00 1.00 C ATOM 769 SG CYS A 54 -8.077 17.192 6.322 1.00 1.00 S ATOM 0 H CYS A 54 -11.746 15.716 6.679 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.434 18.148 6.610 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.800 15.498 6.077 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.496 16.316 4.557 1.00 1.00 H new ATOM 774 N HIS A 55 -11.601 17.309 3.619 1.00 1.00 N ATOM 775 CA HIS A 55 -12.069 17.802 2.328 1.00 1.00 C ATOM 776 C HIS A 55 -13.082 18.941 2.542 1.00 1.00 C ATOM 777 O HIS A 55 -12.984 19.984 1.897 1.00 1.00 O ATOM 778 CB HIS A 55 -12.612 16.618 1.512 1.00 1.00 C ATOM 779 CG HIS A 55 -11.710 15.413 1.381 1.00 1.00 C ATOM 780 ND1 HIS A 55 -12.163 14.161 1.488 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.358 15.312 1.148 1.00 1.00 C ATOM 782 CE1 HIS A 55 -11.135 13.311 1.328 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.998 13.970 1.114 1.00 1.00 N ATOM 0 H HIS A 55 -11.560 16.292 3.681 1.00 1.00 H new ATOM 0 HA HIS A 55 -11.255 18.236 1.747 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.549 16.294 1.965 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.849 16.976 0.510 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -13.132 13.894 1.663 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.683 16.144 1.013 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -11.220 12.235 1.368 1.00 1.00 H new ATOM 791 N GLU A 56 -14.023 18.701 3.444 1.00 1.00 N ATOM 792 CA GLU A 56 -15.042 19.693 3.744 1.00 1.00 C ATOM 793 C GLU A 56 -14.394 20.984 4.246 1.00 1.00 C ATOM 794 O GLU A 56 -14.938 22.071 4.057 1.00 1.00 O ATOM 795 CB GLU A 56 -16.049 19.153 4.760 1.00 1.00 C ATOM 796 CG GLU A 56 -16.974 20.265 5.258 1.00 1.00 C ATOM 797 CD GLU A 56 -18.434 19.804 5.260 1.00 1.00 C ATOM 798 OE1 GLU A 56 -18.707 18.611 5.455 1.00 1.00 O ATOM 799 OE2 GLU A 56 -19.300 20.737 5.050 1.00 1.00 O ATOM 0 H GLU A 56 -14.101 17.835 3.976 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.586 19.916 2.826 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.641 18.359 4.304 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.519 18.711 5.604 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.681 20.563 6.265 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -16.867 21.144 4.622 1.00 1.00 H new ATOM 807 N GLU A 57 -13.240 20.823 4.878 1.00 1.00 N ATOM 808 CA GLU A 57 -12.512 21.963 5.410 1.00 1.00 C ATOM 809 C GLU A 57 -11.513 22.485 4.374 1.00 1.00 C ATOM 810 O GLU A 57 -11.584 23.644 3.968 1.00 1.00 O ATOM 811 CB GLU A 57 -11.806 21.601 6.718 1.00 1.00 C ATOM 812 CG GLU A 57 -12.045 22.671 7.784 1.00 1.00 C ATOM 813 CD GLU A 57 -11.792 22.114 9.186 1.00 1.00 C ATOM 814 OE1 GLU A 57 -12.707 22.098 10.022 1.00 1.00 O ATOM 815 OE2 GLU A 57 -10.592 21.687 9.395 1.00 1.00 O ATOM 0 H GLU A 57 -12.791 19.920 5.034 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.227 22.756 5.629 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.169 20.638 7.077 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.736 21.492 6.540 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -11.389 23.522 7.603 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -13.069 23.037 7.714 1.00 1.00 H new ATOM 823 N MET A 58 -10.607 21.603 3.977 1.00 1.00 N ATOM 824 CA MET A 58 -9.596 21.962 2.997 1.00 1.00 C ATOM 825 C MET A 58 -10.240 22.478 1.708 1.00 1.00 C ATOM 826 O MET A 58 -9.574 23.106 0.886 1.00 1.00 O ATOM 827 CB MET A 58 -8.734 20.737 2.682 1.00 1.00 C ATOM 828 CG MET A 58 -7.248 21.101 2.671 1.00 1.00 C ATOM 829 SD MET A 58 -6.260 19.641 2.951 1.00 1.00 S ATOM 830 CE MET A 58 -4.640 20.285 2.568 1.00 1.00 C ATOM 0 H MET A 58 -10.552 20.642 4.316 1.00 1.00 H new ATOM 0 HA MET A 58 -8.977 22.756 3.415 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.916 19.959 3.424 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.019 20.327 1.713 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.983 21.552 1.715 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.041 21.843 3.442 1.00 1.00 H new ATOM 0 HE1 MET A 58 -4.105 19.574 1.938 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.741 21.233 2.040 1.00 1.00 H new ATOM 0 HE3 MET A 58 -4.083 20.442 3.492 1.00 1.00 H new ATOM 840 N LYS A 59 -11.527 22.194 1.572 1.00 1.00 N ATOM 841 CA LYS A 59 -12.268 22.621 0.398 1.00 1.00 C ATOM 842 C LYS A 59 -11.727 21.891 -0.834 1.00 1.00 C ATOM 843 O LYS A 59 -12.058 22.247 -1.964 1.00 1.00 O ATOM 844 CB LYS A 59 -12.238 24.145 0.272 1.00 1.00 C ATOM 845 CG LYS A 59 -13.577 24.678 -0.246 1.00 1.00 C ATOM 846 CD LYS A 59 -13.364 25.707 -1.357 1.00 1.00 C ATOM 847 CE LYS A 59 -14.503 25.657 -2.377 1.00 1.00 C ATOM 848 NZ LYS A 59 -14.500 26.874 -3.218 1.00 1.00 N ATOM 0 H LYS A 59 -12.076 21.673 2.256 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.320 22.352 0.492 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -12.016 24.590 1.242 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.437 24.442 -0.405 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -14.181 23.852 -0.621 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -14.133 25.132 0.574 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -13.302 26.706 -0.925 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -12.415 25.516 -1.857 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.397 24.773 -3.006 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -15.458 25.568 -1.860 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -15.279 26.823 -3.905 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -14.623 27.713 -2.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -13.595 26.943 -3.726 1.00 1.00 H new ATOM 861 N LYS A 60 -10.905 20.886 -0.574 1.00 1.00 N ATOM 862 CA LYS A 60 -10.316 20.104 -1.647 1.00 1.00 C ATOM 863 C LYS A 60 -10.496 18.615 -1.346 1.00 1.00 C ATOM 864 O LYS A 60 -10.195 18.160 -0.245 1.00 1.00 O ATOM 865 CB LYS A 60 -8.859 20.514 -1.871 1.00 1.00 C ATOM 866 CG LYS A 60 -8.102 20.594 -0.544 1.00 1.00 C ATOM 867 CD LYS A 60 -6.632 20.955 -0.772 1.00 1.00 C ATOM 868 CE LYS A 60 -6.489 22.411 -1.220 1.00 1.00 C ATOM 869 NZ LYS A 60 -5.060 22.774 -1.350 1.00 1.00 N ATOM 0 H LYS A 60 -10.633 20.595 0.365 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.828 20.303 -2.588 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.372 19.794 -2.529 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.823 21.481 -2.373 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.568 21.340 0.100 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -8.169 19.638 -0.025 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.068 20.796 0.147 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.204 20.295 -1.526 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -6.996 22.556 -2.174 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -6.974 23.069 -0.499 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -4.980 23.765 -1.655 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -4.587 22.655 -0.432 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -4.608 22.157 -2.055 1.00 1.00 H new ATOM 882 N GLY A 61 -10.988 17.897 -2.346 1.00 1.00 N ATOM 883 CA GLY A 61 -11.213 16.469 -2.202 1.00 1.00 C ATOM 884 C GLY A 61 -12.687 16.121 -2.417 1.00 1.00 C ATOM 885 O GLY A 61 -13.564 16.981 -2.435 1.00 1.00 O ATOM 0 H GLY A 61 -11.237 18.278 -3.259 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.599 15.926 -2.921 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.901 16.147 -1.209 1.00 1.00 H new ATOM 889 N PRO A 62 -12.942 14.821 -2.584 1.00 1.00 N ATOM 890 CA PRO A 62 -14.262 14.269 -2.801 1.00 1.00 C ATOM 891 C PRO A 62 -14.914 13.963 -1.460 1.00 1.00 C ATOM 892 O PRO A 62 -14.198 13.646 -0.511 1.00 1.00 O ATOM 893 CB PRO A 62 -14.026 12.990 -3.600 1.00 1.00 C ATOM 894 CG PRO A 62 -12.648 12.533 -3.077 1.00 1.00 C ATOM 895 CD PRO A 62 -11.934 13.783 -2.570 1.00 1.00 C ATOM 0 HA PRO A 62 -14.926 14.953 -3.329 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.800 12.245 -3.415 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -14.013 13.177 -4.674 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.761 11.801 -2.277 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -12.073 12.054 -3.869 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.537 13.631 -1.566 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -11.091 14.043 -3.210 1.00 1.00 H new ATOM 903 N THR A 63 -16.233 14.062 -1.405 1.00 1.00 N ATOM 904 CA THR A 63 -16.953 13.793 -0.171 1.00 1.00 C ATOM 905 C THR A 63 -18.093 12.804 -0.425 1.00 1.00 C ATOM 906 O THR A 63 -18.832 12.454 0.494 1.00 1.00 O ATOM 907 CB THR A 63 -17.424 15.130 0.403 1.00 1.00 C ATOM 908 OG1 THR A 63 -18.479 15.530 -0.467 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.376 16.235 0.250 1.00 1.00 C ATOM 0 H THR A 63 -16.823 14.325 -2.195 1.00 1.00 H new ATOM 0 HA THR A 63 -16.309 13.316 0.568 1.00 1.00 H new ATOM 0 HB THR A 63 -17.669 15.005 1.458 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.843 16.389 -0.166 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.761 17.163 0.674 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.465 15.947 0.774 1.00 1.00 H new ATOM 0 HG23 THR A 63 -16.155 16.383 -0.807 1.00 1.00 H new ATOM 915 N LYS A 64 -18.202 12.384 -1.676 1.00 1.00 N ATOM 916 CA LYS A 64 -19.240 11.443 -2.062 1.00 1.00 C ATOM 917 C LYS A 64 -18.839 10.035 -1.615 1.00 1.00 C ATOM 918 O LYS A 64 -17.652 9.724 -1.525 1.00 1.00 O ATOM 919 CB LYS A 64 -19.532 11.552 -3.560 1.00 1.00 C ATOM 920 CG LYS A 64 -20.151 10.258 -4.094 1.00 1.00 C ATOM 921 CD LYS A 64 -20.844 10.496 -5.437 1.00 1.00 C ATOM 922 CE LYS A 64 -22.357 10.634 -5.258 1.00 1.00 C ATOM 923 NZ LYS A 64 -22.732 12.056 -5.098 1.00 1.00 N ATOM 0 H LYS A 64 -17.589 12.678 -2.436 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.177 11.683 -1.559 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -20.210 12.386 -3.742 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -18.610 11.768 -4.099 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -19.376 9.500 -4.210 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.871 9.870 -3.373 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -20.446 11.398 -5.901 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -20.628 9.668 -6.113 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -22.871 10.211 -6.121 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -22.679 10.066 -4.385 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -23.768 12.142 -5.080 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -22.339 12.421 -4.207 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -22.353 12.607 -5.895 1.00 1.00 H new ATOM 936 N CYS A 65 -19.852 9.224 -1.347 1.00 1.00 N ATOM 937 CA CYS A 65 -19.619 7.858 -0.911 1.00 1.00 C ATOM 938 C CYS A 65 -18.987 7.084 -2.071 1.00 1.00 C ATOM 939 O CYS A 65 -18.006 6.367 -1.881 1.00 1.00 O ATOM 940 CB CYS A 65 -20.907 7.195 -0.418 1.00 1.00 C ATOM 941 SG CYS A 65 -22.179 8.355 0.201 1.00 1.00 S ATOM 0 H CYS A 65 -20.835 9.486 -1.423 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.938 7.856 -0.060 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.334 6.611 -1.234 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.656 6.494 0.378 1.00 1.00 H new ATOM 946 N GLY A 66 -19.575 7.257 -3.245 1.00 1.00 N ATOM 947 CA GLY A 66 -19.081 6.585 -4.434 1.00 1.00 C ATOM 948 C GLY A 66 -17.624 6.960 -4.712 1.00 1.00 C ATOM 949 O GLY A 66 -16.930 6.263 -5.451 1.00 1.00 O ATOM 0 H GLY A 66 -20.389 7.853 -3.398 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.164 5.506 -4.307 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.699 6.854 -5.291 1.00 1.00 H new ATOM 953 N GLU A 67 -17.204 8.060 -4.106 1.00 1.00 N ATOM 954 CA GLU A 67 -15.843 8.537 -4.278 1.00 1.00 C ATOM 955 C GLU A 67 -14.876 7.696 -3.441 1.00 1.00 C ATOM 956 O GLU A 67 -13.839 7.259 -3.936 1.00 1.00 O ATOM 957 CB GLU A 67 -15.731 10.020 -3.920 1.00 1.00 C ATOM 958 CG GLU A 67 -16.514 10.883 -4.912 1.00 1.00 C ATOM 959 CD GLU A 67 -15.771 11.001 -6.244 1.00 1.00 C ATOM 960 OE1 GLU A 67 -14.878 10.188 -6.529 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.150 11.978 -6.995 1.00 1.00 O ATOM 0 H GLU A 67 -17.783 8.635 -3.494 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.572 8.430 -5.328 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.110 10.184 -2.911 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.683 10.320 -3.920 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.499 10.448 -5.079 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.671 11.876 -4.490 1.00 1.00 H new ATOM 969 N CYS A 68 -15.251 7.497 -2.186 1.00 1.00 N ATOM 970 CA CYS A 68 -14.430 6.717 -1.275 1.00 1.00 C ATOM 971 C CYS A 68 -14.797 5.242 -1.442 1.00 1.00 C ATOM 972 O CYS A 68 -13.926 4.391 -1.612 1.00 1.00 O ATOM 973 CB CYS A 68 -14.590 7.185 0.173 1.00 1.00 C ATOM 974 SG CYS A 68 -13.380 8.508 0.541 1.00 1.00 S ATOM 0 H CYS A 68 -16.112 7.862 -1.779 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.377 6.858 -1.518 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.603 7.552 0.335 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.442 6.346 0.853 1.00 1.00 H new ATOM 979 N HIS A 69 -16.102 4.976 -1.385 1.00 1.00 N ATOM 980 CA HIS A 69 -16.642 3.628 -1.524 1.00 1.00 C ATOM 981 C HIS A 69 -16.809 3.284 -3.016 1.00 1.00 C ATOM 982 O HIS A 69 -17.221 4.134 -3.803 1.00 1.00 O ATOM 983 CB HIS A 69 -17.937 3.524 -0.703 1.00 1.00 C ATOM 984 CG HIS A 69 -17.806 3.679 0.794 1.00 1.00 C ATOM 985 ND1 HIS A 69 -17.453 2.668 1.594 1.00 1.00 N ATOM 986 CD2 HIS A 69 -17.995 4.767 1.613 1.00 1.00 C ATOM 987 CE1 HIS A 69 -17.423 3.109 2.861 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.749 4.399 2.930 1.00 1.00 N ATOM 0 H HIS A 69 -16.814 5.692 -1.241 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.957 2.881 -1.124 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.631 4.283 -1.064 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.392 2.554 -0.906 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -17.241 1.717 1.291 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.289 5.753 1.284 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -17.168 2.498 3.714 1.00 1.00 H new ATOM 996 N LYS A 70 -16.482 2.044 -3.351 1.00 1.00 N ATOM 997 CA LYS A 70 -16.593 1.587 -4.726 1.00 1.00 C ATOM 998 C LYS A 70 -17.020 0.119 -4.738 1.00 1.00 C ATOM 999 O LYS A 70 -16.234 -0.763 -4.393 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.292 1.857 -5.486 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.427 1.465 -6.959 1.00 1.00 C ATOM 1002 CD LYS A 70 -15.023 2.622 -7.874 1.00 1.00 C ATOM 1003 CE LYS A 70 -16.206 3.087 -8.726 1.00 1.00 C ATOM 1004 NZ LYS A 70 -15.755 4.041 -9.764 1.00 1.00 N ATOM 0 H LYS A 70 -16.140 1.342 -2.694 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.365 2.147 -5.253 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.034 2.913 -5.409 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.477 1.296 -5.030 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -14.801 0.597 -7.167 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -16.456 1.173 -7.168 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -14.654 3.453 -7.273 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -14.204 2.309 -8.522 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -16.683 2.227 -9.197 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -16.956 3.559 -8.091 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -16.570 4.346 -10.333 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -15.321 4.869 -9.309 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -15.057 3.579 -10.380 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.264 -0.099 -5.140 1.00 1.00 N ATOM 1018 CA LYS A 71 -18.804 -1.446 -5.202 1.00 1.00 C ATOM 1019 C LYS A 71 -18.241 -2.161 -6.432 1.00 1.00 C ATOM 1020 O LYS A 71 -18.313 -1.640 -7.544 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.333 -1.413 -5.155 1.00 1.00 C ATOM 1022 CG LYS A 71 -20.902 -0.660 -6.360 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.105 0.193 -5.955 1.00 1.00 C ATOM 1024 CE LYS A 71 -23.417 -0.479 -6.365 1.00 1.00 C ATOM 1025 NZ LYS A 71 -24.148 -0.960 -5.171 1.00 1.00 N ATOM 0 H LYS A 71 -18.913 0.634 -5.426 1.00 1.00 H new ATOM 0 HA LYS A 71 -18.494 -2.021 -4.330 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -20.722 -2.431 -5.141 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -20.662 -0.933 -4.233 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -20.130 -0.024 -6.793 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -21.199 -1.371 -7.131 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -22.096 0.353 -4.877 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -22.033 1.175 -6.423 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -24.037 0.227 -6.918 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -23.211 -1.315 -7.034 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -25.036 -1.413 -5.467 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -23.561 -1.649 -4.659 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -24.361 -0.156 -4.547 1.00 1.00 H new TER 1038 LYS A 71 HETATM 1039 FE HEC A 101 0.000 8.372 6.586 1.00 1.00 FE HETATM 1040 CHA HEC A 101 -1.224 5.195 7.426 1.00 1.00 C HETATM 1041 CHB HEC A 101 3.154 7.310 7.697 1.00 1.00 C HETATM 1042 CHC HEC A 101 1.292 11.431 5.888 1.00 1.00 C HETATM 1043 CHD HEC A 101 -3.195 9.427 6.039 1.00 1.00 C HETATM 1044 NA HEC A 101 0.786 6.624 7.459 1.00 1.00 N HETATM 1045 C1A HEC A 101 0.140 5.409 7.600 1.00 1.00 C HETATM 1046 C2A HEC A 101 1.084 4.377 7.955 1.00 1.00 C HETATM 1047 C3A HEC A 101 2.299 4.959 8.031 1.00 1.00 C HETATM 1048 C4A HEC A 101 2.118 6.359 7.723 1.00 1.00 C HETATM 1049 CMA HEC A 101 3.613 4.317 8.368 1.00 1.00 C HETATM 1050 CAA HEC A 101 0.735 2.935 8.187 1.00 1.00 C HETATM 1051 CBA HEC A 101 1.407 1.969 7.216 1.00 1.00 C HETATM 1052 CGA HEC A 101 0.525 0.758 6.951 1.00 1.00 C HETATM 1053 O1A HEC A 101 0.499 0.320 5.780 1.00 1.00 O HETATM 1054 O2A HEC A 101 -0.106 0.291 7.923 1.00 1.00 O HETATM 1055 NB HEC A 101 1.850 9.173 6.740 1.00 1.00 N HETATM 1056 C1B HEC A 101 3.010 8.622 7.256 1.00 1.00 C HETATM 1057 C2B HEC A 101 4.067 9.606 7.276 1.00 1.00 C HETATM 1058 C3B HEC A 101 3.553 10.749 6.775 1.00 1.00 C HETATM 1059 C4B HEC A 101 2.174 10.484 6.440 1.00 1.00 C HETATM 1060 CMB HEC A 101 5.462 9.358 7.770 1.00 1.00 C HETATM 1061 CAB HEC A 101 4.246 12.067 6.584 1.00 1.00 C HETATM 1062 CBB HEC A 101 5.763 12.000 6.744 1.00 1.00 C HETATM 1063 NC HEC A 101 -0.819 10.096 5.837 1.00 1.00 N HETATM 1064 C1C HEC A 101 -0.181 11.324 5.866 1.00 1.00 C HETATM 1065 C2C HEC A 101 -1.144 12.384 6.052 1.00 1.00 C HETATM 1066 C3C HEC A 101 -2.360 11.806 6.138 1.00 1.00 C HETATM 1067 C4C HEC A 101 -2.163 10.381 6.004 1.00 1.00 C HETATM 1068 CMC HEC A 101 -0.807 13.845 6.133 1.00 1.00 C HETATM 1069 CAC HEC A 101 -3.689 12.474 6.334 1.00 1.00 C HETATM 1070 CBC HEC A 101 -4.241 13.140 5.076 1.00 1.00 C HETATM 1071 ND HEC A 101 -1.824 7.487 6.706 1.00 1.00 N HETATM 1072 C1D HEC A 101 -3.034 8.104 6.441 1.00 1.00 C HETATM 1073 C2D HEC A 101 -4.124 7.178 6.640 1.00 1.00 C HETATM 1074 C3D HEC A 101 -3.580 6.004 7.025 1.00 1.00 C HETATM 1075 C4D HEC A 101 -2.150 6.192 7.068 1.00 1.00 C HETATM 1076 CMD HEC A 101 -5.575 7.505 6.445 1.00 1.00 C HETATM 1077 CAD HEC A 101 -4.288 4.723 7.356 1.00 1.00 C HETATM 1078 CBD HEC A 101 -4.523 4.510 8.848 1.00 1.00 C HETATM 1079 CGD HEC A 101 -5.382 3.279 9.098 1.00 1.00 C HETATM 1080 O1D HEC A 101 -6.137 2.915 8.170 1.00 1.00 O HETATM 1081 O2D HEC A 101 -5.269 2.725 10.213 1.00 1.00 O HETATM 0 HMD3 HEC A 101 -5.859 8.315 7.116 1.00 1.00 H new HETATM 0 HMD2 HEC A 101 -5.743 7.813 5.413 1.00 1.00 H new HETATM 0 HMD1 HEC A 101 -6.179 6.624 6.664 1.00 1.00 H new HETATM 0 HMC3 HEC A 101 -0.135 14.017 6.973 1.00 1.00 H new HETATM 0 HMC2 HEC A 101 -0.321 14.158 5.209 1.00 1.00 H new HETATM 0 HMC1 HEC A 101 -1.721 14.422 6.275 1.00 1.00 H new HETATM 0 HMB3 HEC A 101 5.429 9.059 8.818 1.00 1.00 H new HETATM 0 HMB2 HEC A 101 5.921 8.564 7.181 1.00 1.00 H new HETATM 0 HMB1 HEC A 101 6.051 10.270 7.671 1.00 1.00 H new HETATM 0 HMA3 HEC A 101 3.560 3.881 9.365 1.00 1.00 H new HETATM 0 HMA2 HEC A 101 3.833 3.535 7.641 1.00 1.00 H new HETATM 0 HMA1 HEC A 101 4.402 5.068 8.343 1.00 1.00 H new HETATM 0 HBD2 HEC A 101 -3.566 4.399 9.358 1.00 1.00 H new HETATM 0 HBD1 HEC A 101 -5.009 5.389 9.272 1.00 1.00 H new HETATM 0 HBC3 HEC A 101 -3.544 13.905 4.734 1.00 1.00 H new HETATM 0 HBC2 HEC A 101 -4.370 12.391 4.295 1.00 1.00 H new HETATM 0 HBC1 HEC A 101 -5.203 13.600 5.300 1.00 1.00 H new HETATM 0 HBB3 HEC A 101 6.008 11.650 7.747 1.00 1.00 H new HETATM 0 HBB2 HEC A 101 6.176 11.310 6.008 1.00 1.00 H new HETATM 0 HBB1 HEC A 101 6.189 12.992 6.591 1.00 1.00 H new HETATM 0 HBA2 HEC A 101 1.619 2.481 6.277 1.00 1.00 H new HETATM 0 HBA1 HEC A 101 2.364 1.644 7.625 1.00 1.00 H new HETATM 0 HAD2 HEC A 101 -5.249 4.708 6.842 1.00 1.00 H new HETATM 0 HAD1 HEC A 101 -3.706 3.887 6.968 1.00 1.00 H new HETATM 0 HAA2 HEC A 101 1.015 2.664 9.205 1.00 1.00 H new HETATM 0 HAA1 HEC A 101 -0.346 2.817 8.111 1.00 1.00 H new HETATM 0 HHD HEC A 101 -4.191 9.745 5.730 1.00 1.00 H new HETATM 0 HHC HEC A 101 1.734 12.320 5.438 1.00 1.00 H new HETATM 0 HHB HEC A 101 4.138 6.998 8.047 1.00 1.00 H new HETATM 0 HHA HEC A 101 -1.602 4.184 7.578 1.00 1.00 H new HETATM 0 H2D HEC A 101 -5.869 1.951 10.256 1.00 1.00 H new HETATM 0 H2A HEC A 101 -0.806 -0.314 7.599 1.00 1.00 H new HETATM 1082 FE HEC A 102 -8.162 13.230 0.810 1.00 1.00 FE HETATM 1083 CHA HEC A 102 -8.154 14.508 -2.429 1.00 1.00 C HETATM 1084 CHB HEC A 102 -9.728 10.350 -0.439 1.00 1.00 C HETATM 1085 CHC HEC A 102 -8.242 11.878 3.940 1.00 1.00 C HETATM 1086 CHD HEC A 102 -6.846 16.161 1.962 1.00 1.00 C HETATM 1087 NA HEC A 102 -8.830 12.576 -1.051 1.00 1.00 N HETATM 1088 C1A HEC A 102 -8.688 13.235 -2.260 1.00 1.00 C HETATM 1089 C2A HEC A 102 -9.179 12.411 -3.339 1.00 1.00 C HETATM 1090 C3A HEC A 102 -9.617 11.257 -2.791 1.00 1.00 C HETATM 1091 C4A HEC A 102 -9.402 11.356 -1.367 1.00 1.00 C HETATM 1092 CMA HEC A 102 -10.218 10.072 -3.489 1.00 1.00 C HETATM 1093 CAA HEC A 102 -9.183 12.805 -4.788 1.00 1.00 C HETATM 1094 CBA HEC A 102 -7.873 12.509 -5.514 1.00 1.00 C HETATM 1095 CGA HEC A 102 -8.009 12.762 -7.009 1.00 1.00 C HETATM 1096 O1A HEC A 102 -8.566 13.825 -7.357 1.00 1.00 O HETATM 1097 O2A HEC A 102 -7.549 11.887 -7.776 1.00 1.00 O HETATM 1098 NB HEC A 102 -8.862 11.482 1.575 1.00 1.00 N HETATM 1099 C1B HEC A 102 -9.443 10.409 0.922 1.00 1.00 C HETATM 1100 C2B HEC A 102 -9.718 9.342 1.855 1.00 1.00 C HETATM 1101 C3B HEC A 102 -9.306 9.763 3.070 1.00 1.00 C HETATM 1102 C4B HEC A 102 -8.774 11.094 2.900 1.00 1.00 C HETATM 1103 CMB HEC A 102 -10.344 8.026 1.495 1.00 1.00 C HETATM 1104 CAB HEC A 102 -9.371 9.023 4.375 1.00 1.00 C HETATM 1105 CBB HEC A 102 -8.849 7.591 4.303 1.00 1.00 C HETATM 1106 NC HEC A 102 -7.575 13.885 2.614 1.00 1.00 N HETATM 1107 C1C HEC A 102 -7.848 13.298 3.837 1.00 1.00 C HETATM 1108 C2C HEC A 102 -7.649 14.249 4.905 1.00 1.00 C HETATM 1109 C3C HEC A 102 -7.258 15.409 4.335 1.00 1.00 C HETATM 1110 C4C HEC A 102 -7.211 15.187 2.909 1.00 1.00 C HETATM 1111 CMC HEC A 102 -7.850 13.957 6.363 1.00 1.00 C HETATM 1112 CAC HEC A 102 -6.925 16.705 5.014 1.00 1.00 C HETATM 1113 CBC HEC A 102 -5.560 16.717 5.695 1.00 1.00 C HETATM 1114 ND HEC A 102 -7.715 15.019 -0.045 1.00 1.00 N HETATM 1115 C1D HEC A 102 -6.994 16.017 0.586 1.00 1.00 C HETATM 1116 C2D HEC A 102 -6.405 16.904 -0.390 1.00 1.00 C HETATM 1117 C3D HEC A 102 -6.766 16.449 -1.608 1.00 1.00 C HETATM 1118 C4D HEC A 102 -7.581 15.275 -1.399 1.00 1.00 C HETATM 1119 CMD HEC A 102 -5.556 18.098 -0.064 1.00 1.00 C HETATM 1120 CAD HEC A 102 -6.411 17.019 -2.950 1.00 1.00 C HETATM 1121 CBD HEC A 102 -5.678 16.043 -3.866 1.00 1.00 C HETATM 1122 CGD HEC A 102 -4.212 15.921 -3.475 1.00 1.00 C HETATM 1123 O1D HEC A 102 -3.432 16.791 -3.917 1.00 1.00 O HETATM 1124 O2D HEC A 102 -3.899 14.959 -2.741 1.00 1.00 O HETATM 0 HMD3 HEC A 102 -6.131 18.799 0.541 1.00 1.00 H new HETATM 0 HMD2 HEC A 102 -4.675 17.777 0.491 1.00 1.00 H new HETATM 0 HMD1 HEC A 102 -5.245 18.586 -0.988 1.00 1.00 H new HETATM 0 HMC3 HEC A 102 -8.884 13.657 6.535 1.00 1.00 H new HETATM 0 HMC2 HEC A 102 -7.183 13.151 6.668 1.00 1.00 H new HETATM 0 HMC1 HEC A 102 -7.630 14.851 6.947 1.00 1.00 H new HETATM 0 HMB3 HEC A 102 -11.333 8.198 1.070 1.00 1.00 H new HETATM 0 HMB2 HEC A 102 -9.719 7.514 0.764 1.00 1.00 H new HETATM 0 HMB1 HEC A 102 -10.435 7.410 2.389 1.00 1.00 H new HETATM 0 HMA3 HEC A 102 -11.124 10.379 -4.012 1.00 1.00 H new HETATM 0 HMA2 HEC A 102 -9.502 9.671 -4.207 1.00 1.00 H new HETATM 0 HMA1 HEC A 102 -10.465 9.304 -2.756 1.00 1.00 H new HETATM 0 HBD2 HEC A 102 -6.154 15.064 -3.815 1.00 1.00 H new HETATM 0 HBD1 HEC A 102 -5.755 16.381 -4.899 1.00 1.00 H new HETATM 0 HBC3 HEC A 102 -5.526 15.938 6.456 1.00 1.00 H new HETATM 0 HBC2 HEC A 102 -4.782 16.534 4.954 1.00 1.00 H new HETATM 0 HBC1 HEC A 102 -5.395 17.688 6.162 1.00 1.00 H new HETATM 0 HBB3 HEC A 102 -9.439 7.024 3.583 1.00 1.00 H new HETATM 0 HBB2 HEC A 102 -7.805 7.600 3.990 1.00 1.00 H new HETATM 0 HBB1 HEC A 102 -8.930 7.125 5.285 1.00 1.00 H new HETATM 0 HBA2 HEC A 102 -7.078 13.134 -5.107 1.00 1.00 H new HETATM 0 HBA1 HEC A 102 -7.584 11.472 -5.342 1.00 1.00 H new HETATM 0 HAD2 HEC A 102 -7.324 17.350 -3.445 1.00 1.00 H new HETATM 0 HAD1 HEC A 102 -5.789 17.902 -2.805 1.00 1.00 H new HETATM 0 HAA2 HEC A 102 -9.994 12.281 -5.294 1.00 1.00 H new HETATM 0 HAA1 HEC A 102 -9.396 13.871 -4.864 1.00 1.00 H new HETATM 0 HHD HEC A 102 -6.418 17.093 2.332 1.00 1.00 H new HETATM 0 HHC HEC A 102 -8.109 11.395 4.908 1.00 1.00 H new HETATM 0 HHB HEC A 102 -10.239 9.463 -0.812 1.00 1.00 H new HETATM 0 HHA HEC A 102 -8.182 14.941 -3.429 1.00 1.00 H new HETATM 0 H2D HEC A 102 -3.243 14.396 -3.202 1.00 1.00 H new HETATM 0 H2A HEC A 102 -7.895 12.031 -8.682 1.00 1.00 H new HETATM 1125 FE HEC A 103 -17.870 5.574 4.546 1.00 1.00 FE HETATM 1126 CHA HEC A 103 -16.843 2.870 6.328 1.00 1.00 C HETATM 1127 CHB HEC A 103 -21.160 4.701 5.009 1.00 1.00 C HETATM 1128 CHC HEC A 103 -18.905 8.161 2.425 1.00 1.00 C HETATM 1129 CHD HEC A 103 -14.581 6.408 3.862 1.00 1.00 C HETATM 1130 NA HEC A 103 -18.800 4.096 5.459 1.00 1.00 N HETATM 1131 C1A HEC A 103 -18.212 3.066 6.172 1.00 1.00 C HETATM 1132 C2A HEC A 103 -19.225 2.210 6.743 1.00 1.00 C HETATM 1133 C3A HEC A 103 -20.422 2.715 6.379 1.00 1.00 C HETATM 1134 C4A HEC A 103 -20.164 3.889 5.580 1.00 1.00 C HETATM 1135 CMA HEC A 103 -21.788 2.191 6.718 1.00 1.00 C HETATM 1136 CAA HEC A 103 -18.950 0.995 7.581 1.00 1.00 C HETATM 1137 CBA HEC A 103 -17.796 0.137 7.069 1.00 1.00 C HETATM 1138 CGA HEC A 103 -18.225 -1.312 6.894 1.00 1.00 C HETATM 1139 O1A HEC A 103 -17.331 -2.182 6.968 1.00 1.00 O HETATM 1140 O2A HEC A 103 -19.441 -1.523 6.691 1.00 1.00 O HETATM 1141 NB HEC A 103 -19.658 6.273 3.843 1.00 1.00 N HETATM 1142 C1B HEC A 103 -20.911 5.794 4.184 1.00 1.00 C HETATM 1143 C2B HEC A 103 -21.940 6.593 3.563 1.00 1.00 C HETATM 1144 C3B HEC A 103 -21.318 7.553 2.846 1.00 1.00 C HETATM 1145 C4B HEC A 103 -19.898 7.357 3.017 1.00 1.00 C HETATM 1146 CMB HEC A 103 -23.415 6.362 3.714 1.00 1.00 C HETATM 1147 CAB HEC A 103 -21.942 8.636 2.016 1.00 1.00 C HETATM 1148 CBB HEC A 103 -23.153 9.297 2.667 1.00 1.00 C HETATM 1149 NC HEC A 103 -16.939 7.063 3.476 1.00 1.00 N HETATM 1150 C1C HEC A 103 -17.525 8.120 2.801 1.00 1.00 C HETATM 1151 C2C HEC A 103 -16.509 8.974 2.231 1.00 1.00 C HETATM 1152 C3C HEC A 103 -15.314 8.440 2.556 1.00 1.00 C HETATM 1153 C4C HEC A 103 -15.575 7.251 3.332 1.00 1.00 C HETATM 1154 CMC HEC A 103 -16.781 10.214 1.430 1.00 1.00 C HETATM 1155 CAC HEC A 103 -13.946 8.950 2.203 1.00 1.00 C HETATM 1156 CBC HEC A 103 -13.821 10.471 2.247 1.00 1.00 C HETATM 1157 ND HEC A 103 -16.086 4.822 5.006 1.00 1.00 N HETATM 1158 C1D HEC A 103 -14.834 5.269 4.619 1.00 1.00 C HETATM 1159 C2D HEC A 103 -13.810 4.381 5.114 1.00 1.00 C HETATM 1160 C3D HEC A 103 -14.434 3.398 5.798 1.00 1.00 C HETATM 1161 C4D HEC A 103 -15.851 3.669 5.734 1.00 1.00 C HETATM 1162 CMD HEC A 103 -12.337 4.555 4.886 1.00 1.00 C HETATM 1163 CAD HEC A 103 -13.815 2.229 6.508 1.00 1.00 C HETATM 1164 CBD HEC A 103 -13.777 0.949 5.678 1.00 1.00 C HETATM 1165 CGD HEC A 103 -13.562 -0.271 6.561 1.00 1.00 C HETATM 1166 O1D HEC A 103 -12.385 -0.533 6.891 1.00 1.00 O HETATM 1167 O2D HEC A 103 -14.578 -0.919 6.892 1.00 1.00 O HETATM 0 HMD3 HEC A 103 -12.130 4.542 3.816 1.00 1.00 H new HETATM 0 HMD2 HEC A 103 -12.014 5.507 5.306 1.00 1.00 H new HETATM 0 HMD1 HEC A 103 -11.795 3.742 5.370 1.00 1.00 H new HETATM 0 HMC3 HEC A 103 -17.364 9.955 0.546 1.00 1.00 H new HETATM 0 HMC2 HEC A 103 -17.341 10.925 2.038 1.00 1.00 H new HETATM 0 HMC1 HEC A 103 -15.837 10.664 1.124 1.00 1.00 H new HETATM 0 HMB3 HEC A 103 -23.667 5.367 3.347 1.00 1.00 H new HETATM 0 HMB2 HEC A 103 -23.690 6.441 4.766 1.00 1.00 H new HETATM 0 HMB1 HEC A 103 -23.961 7.110 3.139 1.00 1.00 H new HETATM 0 HMA3 HEC A 103 -21.895 1.177 6.333 1.00 1.00 H new HETATM 0 HMA2 HEC A 103 -21.916 2.183 7.800 1.00 1.00 H new HETATM 0 HMA1 HEC A 103 -22.546 2.832 6.267 1.00 1.00 H new HETATM 0 HBD2 HEC A 103 -14.711 0.842 5.126 1.00 1.00 H new HETATM 0 HBD1 HEC A 103 -12.977 1.014 4.941 1.00 1.00 H new HETATM 0 HBC3 HEC A 103 -14.522 10.914 1.540 1.00 1.00 H new HETATM 0 HBC2 HEC A 103 -14.047 10.826 3.253 1.00 1.00 H new HETATM 0 HBC1 HEC A 103 -12.805 10.760 1.980 1.00 1.00 H new HETATM 0 HBB3 HEC A 103 -23.923 8.547 2.848 1.00 1.00 H new HETATM 0 HBB2 HEC A 103 -22.856 9.748 3.614 1.00 1.00 H new HETATM 0 HBB1 HEC A 103 -23.546 10.068 2.005 1.00 1.00 H new HETATM 0 HBA2 HEC A 103 -17.440 0.531 6.117 1.00 1.00 H new HETATM 0 HBA1 HEC A 103 -16.961 0.190 7.768 1.00 1.00 H new HETATM 0 HAD2 HEC A 103 -12.798 2.491 6.800 1.00 1.00 H new HETATM 0 HAD1 HEC A 103 -14.371 2.038 7.426 1.00 1.00 H new HETATM 0 HAA2 HEC A 103 -18.730 1.312 8.600 1.00 1.00 H new HETATM 0 HAA1 HEC A 103 -19.852 0.384 7.625 1.00 1.00 H new HETATM 0 HHD HEC A 103 -13.540 6.665 3.666 1.00 1.00 H new HETATM 0 HHC HEC A 103 -19.204 8.852 1.637 1.00 1.00 H new HETATM 0 HHB HEC A 103 -22.200 4.457 5.228 1.00 1.00 H new HETATM 0 HHA HEC A 103 -16.518 2.039 6.954 1.00 1.00 H new HETATM 0 H2D HEC A 103 -14.322 -1.840 7.109 1.00 1.00 H new HETATM 0 H2A HEC A 103 -19.614 -1.539 5.726 1.00 1.00 H new