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+ -119:sc= -3.71! (180deg=-6.57!) USER MOD Set 1.2: A 103 HEC O2D : rot 165:sc= -0.171 USER MOD Set 2.1: A 29 LYS NZ :NH3+ -179:sc= 0.0372 (180deg=0.037) USER MOD Set 2.2: A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.69! C(o=-1.7!,f=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ -128:sc= 1.1 (180deg=-0.861) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -3.12! C(o=-3.1!,f=-5.3!) 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 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -109:sc= -1.51 (180deg=-4.14!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 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 130:sc= -1.96! USER MOD Single : A 102 HEC O2D : rot 165:sc= 0 USER MOD Single : A 103 HEC O2A : rot -130:sc= -4.35! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.583 0.622 0.500 1.00 1.00 N ATOM 2 CA ALA A 1 3.512 1.038 -0.535 1.00 1.00 C ATOM 3 C ALA A 1 3.099 2.413 -1.065 1.00 1.00 C ATOM 4 O ALA A 1 3.821 3.393 -0.891 1.00 1.00 O ATOM 5 CB ALA A 1 3.558 -0.022 -1.638 1.00 1.00 C ATOM 0 H1 ALA A 1 2.862 -0.312 0.862 1.00 1.00 H new ATOM 0 H2 ALA A 1 2.597 1.313 1.277 1.00 1.00 H new ATOM 0 H3 ALA A 1 1.623 0.567 0.103 1.00 1.00 H new ATOM 0 HA ALA A 1 4.520 1.130 -0.130 1.00 1.00 H new ATOM 0 HB1 ALA A 1 4.256 0.291 -2.415 1.00 1.00 H new ATOM 0 HB2 ALA A 1 3.887 -0.972 -1.216 1.00 1.00 H new ATOM 0 HB3 ALA A 1 2.564 -0.141 -2.070 1.00 1.00 H new ATOM 11 N ASP A 2 1.937 2.441 -1.702 1.00 1.00 N ATOM 12 CA ASP A 2 1.418 3.678 -2.258 1.00 1.00 C ATOM 13 C ASP A 2 -0.101 3.713 -2.083 1.00 1.00 C ATOM 14 O ASP A 2 -0.658 4.727 -1.664 1.00 1.00 O ATOM 15 CB ASP A 2 1.724 3.782 -3.754 1.00 1.00 C ATOM 16 CG ASP A 2 3.144 4.240 -4.094 1.00 1.00 C ATOM 17 OD1 ASP A 2 3.577 4.174 -5.254 1.00 1.00 O ATOM 18 OD2 ASP A 2 3.826 4.685 -3.093 1.00 1.00 O ATOM 0 H ASP A 2 1.341 1.626 -1.845 1.00 1.00 H new ATOM 0 HA ASP A 2 1.893 4.508 -1.735 1.00 1.00 H new ATOM 0 HB2 ASP A 2 1.553 2.808 -4.213 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.016 4.476 -4.207 1.00 1.00 H new ATOM 24 N ASP A 3 -0.729 2.594 -2.415 1.00 1.00 N ATOM 25 CA ASP A 3 -2.173 2.485 -2.300 1.00 1.00 C ATOM 26 C ASP A 3 -2.521 1.684 -1.043 1.00 1.00 C ATOM 27 O ASP A 3 -1.886 0.673 -0.752 1.00 1.00 O ATOM 28 CB ASP A 3 -2.767 1.753 -3.506 1.00 1.00 C ATOM 29 CG ASP A 3 -2.301 2.268 -4.868 1.00 1.00 C ATOM 30 OD1 ASP A 3 -1.094 2.345 -5.143 1.00 1.00 O ATOM 31 OD2 ASP A 3 -3.248 2.603 -5.678 1.00 1.00 O ATOM 0 H ASP A 3 -0.264 1.756 -2.763 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.585 3.493 -2.250 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.517 0.695 -3.429 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -3.853 1.828 -3.458 1.00 1.00 H new ATOM 37 N ILE A 4 -3.529 2.168 -0.332 1.00 1.00 N ATOM 38 CA ILE A 4 -3.969 1.511 0.886 1.00 1.00 C ATOM 39 C ILE A 4 -5.465 1.208 0.786 1.00 1.00 C ATOM 40 O ILE A 4 -6.286 2.123 0.733 1.00 1.00 O ATOM 41 CB ILE A 4 -3.592 2.346 2.112 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.077 2.548 2.192 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.155 1.726 3.392 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.626 2.747 3.641 1.00 1.00 C ATOM 0 H ILE A 4 -4.053 3.008 -0.577 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.457 0.556 1.009 1.00 1.00 H new ATOM 0 HB ILE A 4 -4.044 3.332 2.006 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.568 1.684 1.764 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.790 3.414 1.596 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.873 2.339 4.248 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.242 1.676 3.324 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.752 0.721 3.517 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.546 2.888 3.670 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -2.118 3.626 4.058 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.893 1.869 4.229 1.00 1.00 H new ATOM 51 N VAL A 5 -5.776 -0.080 0.763 1.00 1.00 N ATOM 52 CA VAL A 5 -7.159 -0.514 0.669 1.00 1.00 C ATOM 53 C VAL A 5 -7.731 -0.689 2.077 1.00 1.00 C ATOM 54 O VAL A 5 -7.119 -1.340 2.924 1.00 1.00 O ATOM 55 CB VAL A 5 -7.251 -1.787 -0.174 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.630 -2.436 -0.038 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.925 -1.497 -1.641 1.00 1.00 C ATOM 0 H VAL A 5 -5.094 -0.837 0.808 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.762 0.240 0.164 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.510 -2.492 0.202 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.669 -3.339 -0.647 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.809 -2.694 1.006 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.396 -1.738 -0.375 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.997 -2.418 -2.219 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.632 -0.766 -2.033 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.913 -1.100 -1.717 1.00 1.00 H new ATOM 63 N LEU A 6 -8.896 -0.095 2.286 1.00 1.00 N ATOM 64 CA LEU A 6 -9.557 -0.176 3.578 1.00 1.00 C ATOM 65 C LEU A 6 -10.751 -1.127 3.476 1.00 1.00 C ATOM 66 O LEU A 6 -11.879 -0.691 3.248 1.00 1.00 O ATOM 67 CB LEU A 6 -9.925 1.221 4.080 1.00 1.00 C ATOM 68 CG LEU A 6 -8.768 2.214 4.211 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.286 3.650 4.317 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.858 1.844 5.384 1.00 1.00 C ATOM 0 H LEU A 6 -9.400 0.445 1.582 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.881 -0.591 4.326 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.666 1.645 3.403 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.404 1.121 5.054 1.00 1.00 H new ATOM 0 HG LEU A 6 -8.165 2.156 3.305 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.443 4.335 4.409 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.858 3.897 3.423 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.926 3.742 5.195 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -7.044 2.566 5.455 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.434 1.855 6.309 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.446 0.847 5.225 1.00 1.00 H new ATOM 78 N LYS A 7 -10.463 -2.409 3.651 1.00 1.00 N ATOM 79 CA LYS A 7 -11.499 -3.425 3.582 1.00 1.00 C ATOM 80 C LYS A 7 -12.756 -2.915 4.290 1.00 1.00 C ATOM 81 O LYS A 7 -12.735 -2.661 5.493 1.00 1.00 O ATOM 82 CB LYS A 7 -10.982 -4.756 4.131 1.00 1.00 C ATOM 83 CG LYS A 7 -10.111 -5.474 3.097 1.00 1.00 C ATOM 84 CD LYS A 7 -10.300 -6.990 3.181 1.00 1.00 C ATOM 85 CE LYS A 7 -9.354 -7.604 4.214 1.00 1.00 C ATOM 86 NZ LYS A 7 -10.081 -8.558 5.080 1.00 1.00 N ATOM 0 H LYS A 7 -9.527 -2.767 3.840 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.773 -3.619 2.545 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.405 -4.580 5.039 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.824 -5.391 4.407 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.367 -5.127 2.096 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.063 -5.225 3.263 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.332 -7.217 3.448 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -10.117 -7.438 2.204 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -8.535 -8.115 3.707 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -8.910 -6.816 4.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -9.424 -8.966 5.776 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -10.847 -8.061 5.577 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -10.484 -9.319 4.497 1.00 1.00 H new ATOM 99 N ALA A 8 -13.820 -2.780 3.513 1.00 1.00 N ATOM 100 CA ALA A 8 -15.084 -2.305 4.051 1.00 1.00 C ATOM 101 C ALA A 8 -16.129 -3.417 3.944 1.00 1.00 C ATOM 102 O ALA A 8 -15.972 -4.348 3.156 1.00 1.00 O ATOM 103 CB ALA A 8 -15.509 -1.034 3.312 1.00 1.00 C ATOM 0 H ALA A 8 -13.833 -2.991 2.515 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.980 -2.050 5.106 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.457 -0.678 3.716 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.747 -0.265 3.443 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.626 -1.252 2.250 1.00 1.00 H new ATOM 109 N LYS A 9 -17.173 -3.284 4.750 1.00 1.00 N ATOM 110 CA LYS A 9 -18.244 -4.266 4.757 1.00 1.00 C ATOM 111 C LYS A 9 -19.357 -3.806 3.814 1.00 1.00 C ATOM 112 O LYS A 9 -20.446 -4.378 3.809 1.00 1.00 O ATOM 113 CB LYS A 9 -18.718 -4.532 6.186 1.00 1.00 C ATOM 114 CG LYS A 9 -18.384 -5.961 6.619 1.00 1.00 C ATOM 115 CD LYS A 9 -19.330 -6.435 7.724 1.00 1.00 C ATOM 116 CE LYS A 9 -18.908 -5.879 9.085 1.00 1.00 C ATOM 117 NZ LYS A 9 -19.420 -6.738 10.177 1.00 1.00 N ATOM 0 H LYS A 9 -17.300 -2.511 5.403 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.885 -5.225 4.383 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.247 -3.823 6.867 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.794 -4.371 6.252 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -18.456 -6.631 5.762 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -17.354 -6.006 6.973 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -20.348 -6.117 7.497 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -19.337 -7.524 7.759 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -17.821 -5.821 9.139 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -19.288 -4.864 9.204 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -19.125 -6.347 11.094 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -20.459 -6.773 10.134 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -19.037 -7.699 10.071 1.00 1.00 H new ATOM 130 N ASN A 10 -19.047 -2.777 3.040 1.00 1.00 N ATOM 131 CA ASN A 10 -20.008 -2.235 2.095 1.00 1.00 C ATOM 132 C ASN A 10 -19.273 -1.372 1.066 1.00 1.00 C ATOM 133 O ASN A 10 -19.577 -0.190 0.911 1.00 1.00 O ATOM 134 CB ASN A 10 -21.037 -1.351 2.803 1.00 1.00 C ATOM 135 CG ASN A 10 -22.041 -0.772 1.805 1.00 1.00 C ATOM 136 OD1 ASN A 10 -21.861 0.304 1.257 1.00 1.00 O ATOM 137 ND2 ASN A 10 -23.106 -1.542 1.600 1.00 1.00 N ATOM 0 H ASN A 10 -18.143 -2.304 3.048 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.518 -3.070 1.615 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.564 -1.934 3.558 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.528 -0.540 3.324 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -23.834 -1.243 0.951 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -23.194 -2.431 2.091 1.00 1.00 H new ATOM 143 N GLY A 11 -18.322 -1.998 0.388 1.00 1.00 N ATOM 144 CA GLY A 11 -17.542 -1.303 -0.622 1.00 1.00 C ATOM 145 C GLY A 11 -16.185 -0.868 -0.064 1.00 1.00 C ATOM 146 O GLY A 11 -16.120 -0.183 0.955 1.00 1.00 O ATOM 0 H GLY A 11 -18.074 -2.979 0.518 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.393 -1.954 -1.483 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -18.091 -0.430 -0.974 1.00 1.00 H new ATOM 150 N ASP A 12 -15.136 -1.284 -0.757 1.00 1.00 N ATOM 151 CA ASP A 12 -13.785 -0.947 -0.344 1.00 1.00 C ATOM 152 C ASP A 12 -13.511 0.525 -0.663 1.00 1.00 C ATOM 153 O ASP A 12 -14.289 1.166 -1.367 1.00 1.00 O ATOM 154 CB ASP A 12 -12.752 -1.793 -1.092 1.00 1.00 C ATOM 155 CG ASP A 12 -12.366 -1.266 -2.476 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.127 -0.522 -3.112 1.00 1.00 O ATOM 157 OD2 ASP A 12 -11.213 -1.655 -2.905 1.00 1.00 O ATOM 0 H ASP A 12 -15.194 -1.852 -1.602 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.702 -1.140 0.726 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -11.851 -1.863 -0.482 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -13.143 -2.805 -1.201 1.00 1.00 H new ATOM 163 N VAL A 13 -12.402 1.017 -0.129 1.00 1.00 N ATOM 164 CA VAL A 13 -12.016 2.400 -0.348 1.00 1.00 C ATOM 165 C VAL A 13 -10.594 2.445 -0.909 1.00 1.00 C ATOM 166 O VAL A 13 -9.678 1.856 -0.339 1.00 1.00 O ATOM 167 CB VAL A 13 -12.173 3.198 0.948 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.658 4.629 0.776 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.627 3.192 1.423 1.00 1.00 C ATOM 0 H VAL A 13 -11.759 0.482 0.455 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.670 2.868 -1.084 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.568 2.714 1.715 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.781 5.175 1.711 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.602 4.606 0.506 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.223 5.127 -0.012 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.711 3.766 2.346 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.261 3.640 0.658 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.946 2.166 1.604 1.00 1.00 H new ATOM 175 N LYS A 14 -10.454 3.152 -2.022 1.00 1.00 N ATOM 176 CA LYS A 14 -9.158 3.282 -2.667 1.00 1.00 C ATOM 177 C LYS A 14 -8.468 4.552 -2.165 1.00 1.00 C ATOM 178 O LYS A 14 -8.736 5.645 -2.661 1.00 1.00 O ATOM 179 CB LYS A 14 -9.309 3.226 -4.188 1.00 1.00 C ATOM 180 CG LYS A 14 -8.905 1.851 -4.728 1.00 1.00 C ATOM 181 CD LYS A 14 -7.508 1.460 -4.240 1.00 1.00 C ATOM 182 CE LYS A 14 -6.587 1.136 -5.418 1.00 1.00 C ATOM 183 NZ LYS A 14 -5.806 2.330 -5.808 1.00 1.00 N ATOM 0 H LYS A 14 -11.216 3.640 -2.493 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.515 2.443 -2.402 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.342 3.440 -4.463 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -8.691 3.997 -4.647 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -9.629 1.103 -4.406 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -8.923 1.864 -5.818 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -7.082 2.275 -3.654 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.578 0.595 -3.580 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -5.911 0.325 -5.147 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -7.179 0.788 -6.265 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -5.913 2.496 -6.829 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -6.154 3.158 -5.284 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -4.802 2.176 -5.585 1.00 1.00 H new ATOM 196 N PHE A 15 -7.594 4.365 -1.187 1.00 1.00 N ATOM 197 CA PHE A 15 -6.864 5.482 -0.612 1.00 1.00 C ATOM 198 C PHE A 15 -5.374 5.391 -0.942 1.00 1.00 C ATOM 199 O PHE A 15 -4.648 4.527 -0.452 1.00 1.00 O ATOM 200 CB PHE A 15 -7.045 5.401 0.906 1.00 1.00 C ATOM 201 CG PHE A 15 -6.609 6.664 1.652 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.942 7.889 1.167 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.890 6.560 2.802 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.538 9.061 1.860 1.00 1.00 C ATOM 205 CE2 PHE A 15 -5.486 7.731 3.494 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.818 8.958 3.010 1.00 1.00 C ATOM 0 H PHE A 15 -7.375 3.457 -0.778 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.241 6.421 -1.017 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.094 5.205 1.127 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.475 4.552 1.285 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.514 7.971 0.255 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.627 5.586 3.188 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.802 10.034 1.474 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.914 7.648 4.406 1.00 1.00 H new ATOM 0 HZ PHE A 15 -5.511 9.849 3.537 1.00 1.00 H new ATOM 216 N PRO A 16 -4.926 6.315 -1.795 1.00 1.00 N ATOM 217 CA PRO A 16 -3.554 6.416 -2.243 1.00 1.00 C ATOM 218 C PRO A 16 -2.750 7.240 -1.247 1.00 1.00 C ATOM 219 O PRO A 16 -2.721 8.463 -1.365 1.00 1.00 O ATOM 220 CB PRO A 16 -3.635 7.120 -3.596 1.00 1.00 C ATOM 221 CG PRO A 16 -4.849 8.032 -3.411 1.00 1.00 C ATOM 222 CD PRO A 16 -5.751 7.345 -2.389 1.00 1.00 C ATOM 0 HA PRO A 16 -3.062 5.447 -2.324 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.730 7.686 -3.816 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.776 6.414 -4.415 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.544 9.018 -3.060 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.373 8.178 -4.356 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.104 8.050 -1.637 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.634 6.918 -2.865 1.00 1.00 H new ATOM 230 N HIS A 17 -2.118 6.565 -0.286 1.00 1.00 N ATOM 231 CA HIS A 17 -1.312 7.217 0.739 1.00 1.00 C ATOM 232 C HIS A 17 -0.179 8.023 0.077 1.00 1.00 C ATOM 233 O HIS A 17 -0.044 9.221 0.328 1.00 1.00 O ATOM 234 CB HIS A 17 -0.830 6.157 1.741 1.00 1.00 C ATOM 235 CG HIS A 17 -0.195 6.664 3.016 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.123 6.847 3.140 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.746 7.024 4.223 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.383 7.302 4.375 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.264 7.429 5.086 1.00 1.00 N ATOM 0 H HIS A 17 -2.153 5.549 -0.199 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.898 7.941 1.306 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.681 5.532 2.011 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.110 5.514 1.235 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.818 6.670 2.414 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.799 6.996 4.462 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.371 7.535 4.744 1.00 1.00 H new ATOM 247 N LYS A 18 0.596 7.338 -0.749 1.00 1.00 N ATOM 248 CA LYS A 18 1.702 7.977 -1.441 1.00 1.00 C ATOM 249 C LYS A 18 1.234 9.317 -2.013 1.00 1.00 C ATOM 250 O LYS A 18 2.023 10.251 -2.141 1.00 1.00 O ATOM 251 CB LYS A 18 2.296 7.035 -2.490 1.00 1.00 C ATOM 252 CG LYS A 18 2.865 7.820 -3.673 1.00 1.00 C ATOM 253 CD LYS A 18 1.830 7.957 -4.790 1.00 1.00 C ATOM 254 CE LYS A 18 2.015 9.271 -5.552 1.00 1.00 C ATOM 255 NZ LYS A 18 2.343 9.007 -6.970 1.00 1.00 N ATOM 0 H LYS A 18 0.480 6.346 -0.955 1.00 1.00 H new ATOM 0 HA LYS A 18 2.513 8.192 -0.745 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.083 6.431 -2.038 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.528 6.346 -2.842 1.00 1.00 H new ATOM 0 HG2 LYS A 18 3.179 8.809 -3.340 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.753 7.316 -4.055 1.00 1.00 H new ATOM 0 HD2 LYS A 18 1.920 7.117 -5.479 1.00 1.00 H new ATOM 0 HD3 LYS A 18 0.826 7.916 -4.367 1.00 1.00 H new ATOM 0 HE2 LYS A 18 1.104 9.866 -5.488 1.00 1.00 H new ATOM 0 HE3 LYS A 18 2.811 9.856 -5.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.465 9.910 -7.472 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 3.224 8.458 -7.026 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 1.570 8.468 -7.410 1.00 1.00 H new ATOM 268 N ALA A 19 -0.048 9.367 -2.343 1.00 1.00 N ATOM 269 CA ALA A 19 -0.632 10.577 -2.897 1.00 1.00 C ATOM 270 C ALA A 19 -0.839 11.599 -1.778 1.00 1.00 C ATOM 271 O ALA A 19 -0.587 12.788 -1.955 1.00 1.00 O ATOM 272 CB ALA A 19 -1.936 10.230 -3.619 1.00 1.00 C ATOM 0 H ALA A 19 -0.699 8.589 -2.237 1.00 1.00 H new ATOM 0 HA ALA A 19 0.038 11.025 -3.631 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.374 11.137 -4.035 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.730 9.525 -4.424 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.634 9.780 -2.913 1.00 1.00 H new ATOM 278 N HIS A 20 -1.302 11.094 -0.634 1.00 1.00 N ATOM 279 CA HIS A 20 -1.561 11.914 0.545 1.00 1.00 C ATOM 280 C HIS A 20 -0.246 12.162 1.307 1.00 1.00 C ATOM 281 O HIS A 20 -0.271 12.543 2.476 1.00 1.00 O ATOM 282 CB HIS A 20 -2.660 11.245 1.383 1.00 1.00 C ATOM 283 CG HIS A 20 -4.086 11.463 0.933 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.605 10.850 -0.135 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.089 12.251 1.445 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.880 11.241 -0.283 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.231 12.107 0.666 1.00 1.00 N ATOM 0 H HIS A 20 -1.507 10.104 -0.501 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.933 12.901 0.271 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.469 10.172 1.400 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.569 11.601 2.409 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.112 10.192 -0.739 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -5.003 12.883 2.316 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.536 10.898 -1.069 1.00 1.00 H new ATOM 295 N GLN A 21 0.861 11.936 0.615 1.00 1.00 N ATOM 296 CA GLN A 21 2.171 12.132 1.213 1.00 1.00 C ATOM 297 C GLN A 21 2.844 13.373 0.623 1.00 1.00 C ATOM 298 O GLN A 21 3.914 13.778 1.076 1.00 1.00 O ATOM 299 CB GLN A 21 3.049 10.893 1.027 1.00 1.00 C ATOM 300 CG GLN A 21 4.062 11.102 -0.101 1.00 1.00 C ATOM 301 CD GLN A 21 5.345 11.746 0.428 1.00 1.00 C ATOM 302 OE1 GLN A 21 5.627 11.747 1.615 1.00 1.00 O ATOM 303 NE2 GLN A 21 6.103 12.295 -0.518 1.00 1.00 N ATOM 0 H GLN A 21 0.878 11.619 -0.354 1.00 1.00 H new ATOM 0 HA GLN A 21 2.040 12.288 2.284 1.00 1.00 H new ATOM 0 HB2 GLN A 21 3.575 10.673 1.956 1.00 1.00 H new ATOM 0 HB3 GLN A 21 2.423 10.030 0.803 1.00 1.00 H new ATOM 0 HG2 GLN A 21 4.296 10.145 -0.566 1.00 1.00 H new ATOM 0 HG3 GLN A 21 3.626 11.734 -0.874 1.00 1.00 H new ATOM 0 HE21 GLN A 21 5.807 12.258 -1.494 1.00 1.00 H new ATOM 0 HE22 GLN A 21 6.980 12.752 -0.268 1.00 1.00 H new ATOM 311 N LYS A 22 2.189 13.943 -0.377 1.00 1.00 N ATOM 312 CA LYS A 22 2.710 15.130 -1.033 1.00 1.00 C ATOM 313 C LYS A 22 1.609 16.191 -1.109 1.00 1.00 C ATOM 314 O LYS A 22 1.778 17.220 -1.761 1.00 1.00 O ATOM 315 CB LYS A 22 3.312 14.771 -2.393 1.00 1.00 C ATOM 316 CG LYS A 22 4.242 15.879 -2.891 1.00 1.00 C ATOM 317 CD LYS A 22 5.680 15.372 -3.017 1.00 1.00 C ATOM 318 CE LYS A 22 5.873 14.586 -4.315 1.00 1.00 C ATOM 319 NZ LYS A 22 7.300 14.573 -4.706 1.00 1.00 N ATOM 0 H LYS A 22 1.302 13.605 -0.749 1.00 1.00 H new ATOM 0 HA LYS A 22 3.527 15.558 -0.452 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.865 13.835 -2.314 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.513 14.609 -3.117 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.895 16.243 -3.858 1.00 1.00 H new ATOM 0 HG3 LYS A 22 4.209 16.723 -2.202 1.00 1.00 H new ATOM 0 HD2 LYS A 22 6.370 16.215 -2.992 1.00 1.00 H new ATOM 0 HD3 LYS A 22 5.922 14.738 -2.164 1.00 1.00 H new ATOM 0 HE2 LYS A 22 5.516 13.564 -4.185 1.00 1.00 H new ATOM 0 HE3 LYS A 22 5.276 15.033 -5.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 7.413 14.035 -5.589 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 7.629 15.549 -4.850 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 7.862 14.126 -3.954 1.00 1.00 H new ATOM 332 N ALA A 23 0.507 15.903 -0.433 1.00 1.00 N ATOM 333 CA ALA A 23 -0.621 16.819 -0.415 1.00 1.00 C ATOM 334 C ALA A 23 -0.723 17.470 0.966 1.00 1.00 C ATOM 335 O ALA A 23 -1.629 18.262 1.218 1.00 1.00 O ATOM 336 CB ALA A 23 -1.896 16.066 -0.800 1.00 1.00 C ATOM 0 H ALA A 23 0.371 15.048 0.107 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.479 17.616 -1.145 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.742 16.753 -0.787 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.784 15.648 -1.800 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -2.072 15.260 -0.088 1.00 1.00 H new ATOM 342 N VAL A 24 0.221 17.112 1.824 1.00 1.00 N ATOM 343 CA VAL A 24 0.250 17.651 3.174 1.00 1.00 C ATOM 344 C VAL A 24 1.655 18.174 3.479 1.00 1.00 C ATOM 345 O VAL A 24 2.429 17.570 4.219 1.00 1.00 O ATOM 346 CB VAL A 24 -0.225 16.592 4.170 1.00 1.00 C ATOM 347 CG1 VAL A 24 -1.284 17.163 5.115 1.00 1.00 C ATOM 348 CG2 VAL A 24 -0.748 15.351 3.444 1.00 1.00 C ATOM 0 H VAL A 24 0.972 16.455 1.611 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.436 18.493 3.265 1.00 1.00 H new ATOM 0 HB VAL A 24 0.632 16.290 4.772 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -1.604 16.389 5.813 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -0.862 18.000 5.671 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -2.141 17.507 4.536 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -1.079 14.614 4.176 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -1.586 15.630 2.805 1.00 1.00 H new ATOM 0 HG23 VAL A 24 0.048 14.924 2.834 1.00 1.00 H new ATOM 354 N PRO A 25 1.969 19.327 2.885 1.00 1.00 N ATOM 355 CA PRO A 25 3.241 20.002 3.036 1.00 1.00 C ATOM 356 C PRO A 25 3.662 19.975 4.498 1.00 1.00 C ATOM 357 O PRO A 25 4.860 20.040 4.772 1.00 1.00 O ATOM 358 CB PRO A 25 2.983 21.433 2.567 1.00 1.00 C ATOM 359 CG PRO A 25 1.442 21.532 2.231 1.00 1.00 C ATOM 360 CD PRO A 25 1.082 20.064 2.011 1.00 1.00 C ATOM 0 HA PRO A 25 4.042 19.532 2.465 1.00 1.00 H new ATOM 0 HB2 PRO A 25 3.257 22.149 3.342 1.00 1.00 H new ATOM 0 HB3 PRO A 25 3.586 21.667 1.690 1.00 1.00 H new ATOM 0 HG2 PRO A 25 0.872 21.976 3.047 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.254 22.138 1.344 1.00 1.00 H new ATOM 0 HD2 PRO A 25 0.037 19.873 2.256 1.00 1.00 H new ATOM 0 HD3 PRO A 25 1.223 19.775 0.970 1.00 1.00 H new ATOM 368 N ASP A 26 2.692 19.884 5.395 1.00 1.00 N ATOM 369 CA ASP A 26 2.988 19.852 6.817 1.00 1.00 C ATOM 370 C ASP A 26 2.364 18.600 7.436 1.00 1.00 C ATOM 371 O ASP A 26 1.380 18.690 8.169 1.00 1.00 O ATOM 372 CB ASP A 26 2.402 21.074 7.529 1.00 1.00 C ATOM 373 CG ASP A 26 1.171 21.684 6.858 1.00 1.00 C ATOM 374 OD1 ASP A 26 1.221 22.105 5.693 1.00 1.00 O ATOM 375 OD2 ASP A 26 0.111 21.720 7.593 1.00 1.00 O ATOM 0 H ASP A 26 1.700 19.831 5.165 1.00 1.00 H new ATOM 0 HA ASP A 26 4.072 19.850 6.936 1.00 1.00 H new ATOM 0 HB2 ASP A 26 2.139 20.790 8.548 1.00 1.00 H new ATOM 0 HB3 ASP A 26 3.175 21.839 7.601 1.00 1.00 H new ATOM 381 N CYS A 27 2.960 17.461 7.118 1.00 1.00 N ATOM 382 CA CYS A 27 2.475 16.192 7.633 1.00 1.00 C ATOM 383 C CYS A 27 2.142 16.371 9.115 1.00 1.00 C ATOM 384 O CYS A 27 2.518 17.373 9.723 1.00 1.00 O ATOM 385 CB CYS A 27 3.485 15.066 7.407 1.00 1.00 C ATOM 386 SG CYS A 27 2.804 13.376 7.586 1.00 1.00 S ATOM 0 H CYS A 27 3.775 17.390 6.509 1.00 1.00 H new ATOM 0 HA CYS A 27 1.576 15.897 7.092 1.00 1.00 H new ATOM 0 HB2 CYS A 27 3.905 15.169 6.406 1.00 1.00 H new ATOM 0 HB3 CYS A 27 4.307 15.188 8.112 1.00 1.00 H new ATOM 391 N LYS A 28 1.440 15.386 9.655 1.00 1.00 N ATOM 392 CA LYS A 28 1.054 15.423 11.055 1.00 1.00 C ATOM 393 C LYS A 28 -0.293 16.136 11.190 1.00 1.00 C ATOM 394 O LYS A 28 -0.649 16.599 12.272 1.00 1.00 O ATOM 395 CB LYS A 28 2.166 16.043 11.903 1.00 1.00 C ATOM 396 CG LYS A 28 3.531 15.469 11.521 1.00 1.00 C ATOM 397 CD LYS A 28 4.524 16.585 11.191 1.00 1.00 C ATOM 398 CE LYS A 28 5.791 16.460 12.038 1.00 1.00 C ATOM 399 NZ LYS A 28 6.579 17.712 11.980 1.00 1.00 N ATOM 0 H LYS A 28 1.128 14.557 9.148 1.00 1.00 H new ATOM 0 HA LYS A 28 0.920 14.412 11.439 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.171 17.125 11.768 1.00 1.00 H new ATOM 0 HB3 LYS A 28 1.971 15.855 12.959 1.00 1.00 H new ATOM 0 HG2 LYS A 28 3.918 14.865 12.342 1.00 1.00 H new ATOM 0 HG3 LYS A 28 3.423 14.808 10.661 1.00 1.00 H new ATOM 0 HD2 LYS A 28 4.784 16.544 10.133 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.059 17.555 11.368 1.00 1.00 H new ATOM 0 HE2 LYS A 28 5.524 16.239 13.071 1.00 1.00 H new ATOM 0 HE3 LYS A 28 6.395 15.626 11.679 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 7.436 17.610 12.560 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 6.849 17.907 10.995 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.006 18.500 12.344 1.00 1.00 H new ATOM 412 N LYS A 29 -1.004 16.204 10.074 1.00 1.00 N ATOM 413 CA LYS A 29 -2.304 16.855 10.053 1.00 1.00 C ATOM 414 C LYS A 29 -3.369 15.872 10.542 1.00 1.00 C ATOM 415 O LYS A 29 -4.357 16.275 11.152 1.00 1.00 O ATOM 416 CB LYS A 29 -2.591 17.433 8.666 1.00 1.00 C ATOM 417 CG LYS A 29 -3.965 18.105 8.626 1.00 1.00 C ATOM 418 CD LYS A 29 -4.112 18.978 7.379 1.00 1.00 C ATOM 419 CE LYS A 29 -3.453 20.343 7.584 1.00 1.00 C ATOM 420 NZ LYS A 29 -4.410 21.432 7.284 1.00 1.00 N ATOM 0 H LYS A 29 -0.705 15.819 9.178 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.316 17.705 10.736 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -1.820 18.157 8.403 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.549 16.638 7.921 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.746 17.345 8.636 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.102 18.715 9.519 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -3.659 18.476 6.524 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -5.169 19.112 7.147 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -3.102 20.433 8.612 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -2.579 20.432 6.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -3.941 22.351 7.412 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -4.738 21.345 6.301 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -5.224 21.366 7.928 1.00 1.00 H new ATOM 433 N CYS A 30 -3.131 14.599 10.255 1.00 1.00 N ATOM 434 CA CYS A 30 -4.058 13.556 10.657 1.00 1.00 C ATOM 435 C CYS A 30 -3.387 12.709 11.740 1.00 1.00 C ATOM 436 O CYS A 30 -3.939 12.513 12.820 1.00 1.00 O ATOM 437 CB CYS A 30 -4.507 12.707 9.466 1.00 1.00 C ATOM 438 SG CYS A 30 -3.867 13.425 7.910 1.00 1.00 S ATOM 0 H CYS A 30 -2.310 14.268 9.749 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.965 14.008 11.059 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -4.146 11.685 9.580 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -5.595 12.658 9.433 1.00 1.00 H new ATOM 443 N HIS A 31 -2.190 12.221 11.412 1.00 1.00 N ATOM 444 CA HIS A 31 -1.399 11.392 12.315 1.00 1.00 C ATOM 445 C HIS A 31 -1.209 12.120 13.659 1.00 1.00 C ATOM 446 O HIS A 31 -1.675 11.642 14.691 1.00 1.00 O ATOM 447 CB HIS A 31 -0.087 11.006 11.614 1.00 1.00 C ATOM 448 CG HIS A 31 -0.165 9.895 10.593 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.521 8.648 10.912 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.085 9.888 9.241 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.497 7.892 9.802 1.00 1.00 C ATOM 452 NE2 HIS A 31 -0.129 8.609 8.742 1.00 1.00 N ATOM 0 H HIS A 31 -1.743 12.391 10.511 1.00 1.00 H new ATOM 0 HA HIS A 31 -1.912 10.460 12.554 1.00 1.00 H new ATOM 0 HB2 HIS A 31 0.310 11.894 11.121 1.00 1.00 H new ATOM 0 HB3 HIS A 31 0.635 10.716 12.378 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -0.770 8.323 11.846 1.00 1.00 H new ATOM 0 HD2 HIS A 31 0.398 10.742 8.659 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -0.744 6.841 9.773 1.00 1.00 H new ATOM 460 N GLU A 32 -0.529 13.255 13.596 1.00 1.00 N ATOM 461 CA GLU A 32 -0.279 14.043 14.792 1.00 1.00 C ATOM 462 C GLU A 32 1.090 13.695 15.380 1.00 1.00 C ATOM 463 O GLU A 32 1.192 13.331 16.550 1.00 1.00 O ATOM 464 CB GLU A 32 -1.388 13.840 15.825 1.00 1.00 C ATOM 465 CG GLU A 32 -1.546 15.077 16.711 1.00 1.00 C ATOM 466 CD GLU A 32 -2.804 14.976 17.575 1.00 1.00 C ATOM 467 OE1 GLU A 32 -3.670 14.127 17.313 1.00 1.00 O ATOM 468 OE2 GLU A 32 -2.866 15.819 18.550 1.00 1.00 O ATOM 0 H GLU A 32 -0.144 13.648 12.737 1.00 1.00 H new ATOM 0 HA GLU A 32 -0.276 15.097 14.515 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.329 13.630 15.317 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.159 12.972 16.444 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -0.670 15.185 17.350 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -1.599 15.970 16.088 1.00 1.00 H new ATOM 476 N LYS A 33 2.108 13.818 14.541 1.00 1.00 N ATOM 477 CA LYS A 33 3.466 13.521 14.963 1.00 1.00 C ATOM 478 C LYS A 33 3.509 12.120 15.576 1.00 1.00 C ATOM 479 O LYS A 33 3.607 11.974 16.794 1.00 1.00 O ATOM 480 CB LYS A 33 3.990 14.616 15.895 1.00 1.00 C ATOM 481 CG LYS A 33 3.123 14.726 17.152 1.00 1.00 C ATOM 482 CD LYS A 33 3.811 15.581 18.218 1.00 1.00 C ATOM 483 CE LYS A 33 3.121 16.939 18.363 1.00 1.00 C ATOM 484 NZ LYS A 33 3.090 17.356 19.782 1.00 1.00 N ATOM 0 H LYS A 33 2.019 14.119 13.571 1.00 1.00 H new ATOM 0 HA LYS A 33 4.139 13.516 14.105 1.00 1.00 H new ATOM 0 HB2 LYS A 33 5.020 14.397 16.177 1.00 1.00 H new ATOM 0 HB3 LYS A 33 4.000 15.571 15.370 1.00 1.00 H new ATOM 0 HG2 LYS A 33 2.158 15.164 16.896 1.00 1.00 H new ATOM 0 HG3 LYS A 33 2.925 13.731 17.550 1.00 1.00 H new ATOM 0 HD2 LYS A 33 3.796 15.058 19.174 1.00 1.00 H new ATOM 0 HD3 LYS A 33 4.858 15.728 17.951 1.00 1.00 H new ATOM 0 HE2 LYS A 33 3.648 17.686 17.770 1.00 1.00 H new ATOM 0 HE3 LYS A 33 2.105 16.881 17.973 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 2.618 18.279 19.862 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 2.567 16.651 20.340 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 4.062 17.431 20.143 1.00 1.00 H new ATOM 497 N GLY A 34 3.435 11.125 14.705 1.00 1.00 N ATOM 498 CA GLY A 34 3.465 9.740 15.144 1.00 1.00 C ATOM 499 C GLY A 34 2.854 8.817 14.088 1.00 1.00 C ATOM 500 O GLY A 34 1.644 8.610 14.023 1.00 1.00 O ATOM 0 H GLY A 34 3.354 11.250 13.696 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.494 9.440 15.343 1.00 1.00 H new ATOM 0 HA3 GLY A 34 2.917 9.640 16.081 1.00 1.00 H new ATOM 504 N PRO A 35 3.731 8.257 13.252 1.00 1.00 N ATOM 505 CA PRO A 35 3.374 7.351 12.182 1.00 1.00 C ATOM 506 C PRO A 35 2.848 6.049 12.769 1.00 1.00 C ATOM 507 O PRO A 35 2.397 6.053 13.913 1.00 1.00 O ATOM 508 CB PRO A 35 4.675 7.119 11.415 1.00 1.00 C ATOM 509 CG PRO A 35 5.759 7.372 12.433 1.00 1.00 C ATOM 510 CD PRO A 35 5.161 8.477 13.301 1.00 1.00 C ATOM 0 HA PRO A 35 2.592 7.747 11.534 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.729 6.104 11.021 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.762 7.796 10.565 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.983 6.478 13.015 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.690 7.688 11.962 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.534 8.422 14.324 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.422 9.464 12.919 1.00 1.00 H new ATOM 518 N GLY A 36 2.908 4.979 11.990 1.00 1.00 N ATOM 519 CA GLY A 36 2.430 3.688 12.454 1.00 1.00 C ATOM 520 C GLY A 36 0.900 3.636 12.451 1.00 1.00 C ATOM 521 O GLY A 36 0.250 4.457 11.806 1.00 1.00 O ATOM 0 H GLY A 36 3.280 4.980 11.040 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.825 2.899 11.815 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.802 3.499 13.461 1.00 1.00 H new ATOM 525 N LYS A 37 0.371 2.664 13.179 1.00 1.00 N ATOM 526 CA LYS A 37 -1.069 2.495 13.269 1.00 1.00 C ATOM 527 C LYS A 37 -1.679 3.716 13.960 1.00 1.00 C ATOM 528 O LYS A 37 -1.059 4.310 14.840 1.00 1.00 O ATOM 529 CB LYS A 37 -1.412 1.168 13.949 1.00 1.00 C ATOM 530 CG LYS A 37 -1.534 0.041 12.920 1.00 1.00 C ATOM 531 CD LYS A 37 -2.629 0.349 11.898 1.00 1.00 C ATOM 532 CE LYS A 37 -3.224 -0.940 11.327 1.00 1.00 C ATOM 533 NZ LYS A 37 -2.359 -1.479 10.254 1.00 1.00 N ATOM 0 H LYS A 37 0.914 1.985 13.712 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.509 2.439 12.273 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.641 0.918 14.678 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -2.349 1.268 14.498 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.581 -0.094 12.408 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.759 -0.897 13.428 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.415 0.939 12.369 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -2.217 0.953 11.090 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -3.333 -1.680 12.120 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -4.222 -0.744 10.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -2.777 -2.354 9.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -2.276 -0.778 9.490 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -1.415 -1.685 10.639 1.00 1.00 H new ATOM 546 N ILE A 38 -2.889 4.054 13.535 1.00 1.00 N ATOM 547 CA ILE A 38 -3.590 5.193 14.101 1.00 1.00 C ATOM 548 C ILE A 38 -4.437 4.726 15.287 1.00 1.00 C ATOM 549 O ILE A 38 -5.543 4.219 15.102 1.00 1.00 O ATOM 550 CB ILE A 38 -4.392 5.921 13.021 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.482 6.385 11.882 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.196 7.076 13.620 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.110 7.554 11.120 1.00 1.00 C ATOM 0 H ILE A 38 -3.401 3.558 12.805 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.879 5.925 14.484 1.00 1.00 H new ATOM 0 HB ILE A 38 -5.108 5.218 12.595 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.515 6.686 12.284 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -3.299 5.557 11.198 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -5.757 7.577 12.831 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.888 6.688 14.367 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.517 7.787 14.089 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.443 7.864 10.316 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.066 7.242 10.699 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.269 8.389 11.802 1.00 1.00 H new ATOM 560 N GLU A 39 -3.887 4.913 16.478 1.00 1.00 N ATOM 561 CA GLU A 39 -4.579 4.517 17.693 1.00 1.00 C ATOM 562 C GLU A 39 -5.766 3.612 17.357 1.00 1.00 C ATOM 563 O GLU A 39 -5.582 2.478 16.918 1.00 1.00 O ATOM 564 CB GLU A 39 -5.030 5.742 18.490 1.00 1.00 C ATOM 565 CG GLU A 39 -3.849 6.394 19.210 1.00 1.00 C ATOM 566 CD GLU A 39 -4.065 7.902 19.363 1.00 1.00 C ATOM 567 OE1 GLU A 39 -3.304 8.698 18.793 1.00 1.00 O ATOM 568 OE2 GLU A 39 -5.064 8.236 20.106 1.00 1.00 O ATOM 0 H GLU A 39 -2.970 5.334 16.627 1.00 1.00 H new ATOM 0 HA GLU A 39 -3.885 3.954 18.317 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -5.496 6.465 17.820 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -5.787 5.448 19.218 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -3.722 5.940 20.193 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -2.931 6.209 18.652 1.00 1.00 H new ATOM 576 N GLY A 40 -6.957 4.149 17.575 1.00 1.00 N ATOM 577 CA GLY A 40 -8.174 3.404 17.301 1.00 1.00 C ATOM 578 C GLY A 40 -9.053 4.143 16.289 1.00 1.00 C ATOM 579 O GLY A 40 -10.000 4.830 16.669 1.00 1.00 O ATOM 0 H GLY A 40 -7.105 5.091 17.938 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.921 2.416 16.916 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.728 3.252 18.227 1.00 1.00 H new ATOM 583 N PHE A 41 -8.708 3.975 15.021 1.00 1.00 N ATOM 584 CA PHE A 41 -9.453 4.617 13.951 1.00 1.00 C ATOM 585 C PHE A 41 -10.779 3.898 13.698 1.00 1.00 C ATOM 586 O PHE A 41 -10.839 2.669 13.729 1.00 1.00 O ATOM 587 CB PHE A 41 -8.591 4.530 12.690 1.00 1.00 C ATOM 588 CG PHE A 41 -9.311 4.966 11.412 1.00 1.00 C ATOM 589 CD1 PHE A 41 -9.402 6.287 11.099 1.00 1.00 C ATOM 590 CD2 PHE A 41 -9.862 4.033 10.591 1.00 1.00 C ATOM 591 CE1 PHE A 41 -10.070 6.690 9.914 1.00 1.00 C ATOM 592 CE2 PHE A 41 -10.530 4.437 9.406 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.620 5.757 9.091 1.00 1.00 C ATOM 0 H PHE A 41 -7.922 3.403 14.710 1.00 1.00 H new ATOM 0 HA PHE A 41 -9.676 5.649 14.221 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.705 5.150 12.825 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.246 3.503 12.568 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -8.966 7.028 11.752 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -9.791 2.985 10.841 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -10.142 7.738 9.665 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -10.967 3.696 8.754 1.00 1.00 H new ATOM 0 HZ PHE A 41 -11.128 6.064 8.188 1.00 1.00 H new ATOM 603 N GLY A 42 -11.811 4.693 13.454 1.00 1.00 N ATOM 604 CA GLY A 42 -13.132 4.146 13.196 1.00 1.00 C ATOM 605 C GLY A 42 -13.814 4.884 12.041 1.00 1.00 C ATOM 606 O GLY A 42 -13.299 5.887 11.549 1.00 1.00 O ATOM 0 H GLY A 42 -11.759 5.711 13.430 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -13.050 3.086 12.957 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.744 4.224 14.095 1.00 1.00 H new ATOM 610 N LYS A 43 -14.963 4.358 11.641 1.00 1.00 N ATOM 611 CA LYS A 43 -15.720 4.953 10.554 1.00 1.00 C ATOM 612 C LYS A 43 -16.102 6.386 10.929 1.00 1.00 C ATOM 613 O LYS A 43 -15.774 7.329 10.209 1.00 1.00 O ATOM 614 CB LYS A 43 -16.918 4.073 10.190 1.00 1.00 C ATOM 615 CG LYS A 43 -16.556 3.089 9.076 1.00 1.00 C ATOM 616 CD LYS A 43 -15.834 1.864 9.639 1.00 1.00 C ATOM 617 CE LYS A 43 -14.343 2.149 9.835 1.00 1.00 C ATOM 618 NZ LYS A 43 -13.532 0.991 9.399 1.00 1.00 N ATOM 0 H LYS A 43 -15.388 3.526 12.051 1.00 1.00 H new ATOM 0 HA LYS A 43 -15.110 5.010 9.652 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.252 3.524 11.071 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.751 4.700 9.870 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -17.461 2.775 8.555 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -15.921 3.584 8.341 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -16.282 1.579 10.591 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.961 1.019 8.962 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -14.058 3.034 9.267 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -14.143 2.366 10.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.986 0.626 10.206 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.159 0.244 9.039 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -12.879 1.288 8.646 1.00 1.00 H new ATOM 631 N GLU A 44 -16.790 6.506 12.055 1.00 1.00 N ATOM 632 CA GLU A 44 -17.219 7.809 12.534 1.00 1.00 C ATOM 633 C GLU A 44 -16.112 8.844 12.324 1.00 1.00 C ATOM 634 O GLU A 44 -16.387 9.989 11.969 1.00 1.00 O ATOM 635 CB GLU A 44 -17.635 7.743 14.005 1.00 1.00 C ATOM 636 CG GLU A 44 -18.283 9.054 14.452 1.00 1.00 C ATOM 637 CD GLU A 44 -19.230 9.592 13.376 1.00 1.00 C ATOM 638 OE1 GLU A 44 -18.873 10.529 12.649 1.00 1.00 O ATOM 639 OE2 GLU A 44 -20.373 8.999 13.311 1.00 1.00 O ATOM 0 H GLU A 44 -17.061 5.723 12.649 1.00 1.00 H new ATOM 0 HA GLU A 44 -18.091 8.116 11.957 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.334 6.919 14.152 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.762 7.535 14.624 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.833 8.894 15.379 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -17.510 9.793 14.663 1.00 1.00 H new ATOM 647 N MET A 45 -14.884 8.403 12.550 1.00 1.00 N ATOM 648 CA MET A 45 -13.734 9.277 12.390 1.00 1.00 C ATOM 649 C MET A 45 -13.471 9.572 10.912 1.00 1.00 C ATOM 650 O MET A 45 -13.137 10.699 10.550 1.00 1.00 O ATOM 651 CB MET A 45 -12.500 8.616 13.007 1.00 1.00 C ATOM 652 CG MET A 45 -11.792 9.568 13.973 1.00 1.00 C ATOM 653 SD MET A 45 -12.277 9.203 15.653 1.00 1.00 S ATOM 654 CE MET A 45 -10.775 9.643 16.511 1.00 1.00 C ATOM 0 H MET A 45 -14.660 7.452 12.843 1.00 1.00 H new ATOM 0 HA MET A 45 -13.944 10.219 12.897 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.795 7.709 13.535 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.811 8.315 12.217 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.712 9.469 13.868 1.00 1.00 H new ATOM 0 HG3 MET A 45 -12.043 10.600 13.729 1.00 1.00 H new ATOM 0 HE1 MET A 45 -10.904 9.475 17.580 1.00 1.00 H new ATOM 0 HE2 MET A 45 -9.953 9.029 16.144 1.00 1.00 H new ATOM 0 HE3 MET A 45 -10.549 10.695 16.334 1.00 1.00 H new ATOM 664 N ALA A 46 -13.631 8.538 10.098 1.00 1.00 N ATOM 665 CA ALA A 46 -13.415 8.672 8.668 1.00 1.00 C ATOM 666 C ALA A 46 -14.240 9.847 8.139 1.00 1.00 C ATOM 667 O ALA A 46 -13.693 10.882 7.764 1.00 1.00 O ATOM 668 CB ALA A 46 -13.765 7.354 7.973 1.00 1.00 C ATOM 0 H ALA A 46 -13.908 7.605 10.402 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.367 8.884 8.457 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.603 7.454 6.900 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -13.131 6.558 8.363 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.811 7.110 8.161 1.00 1.00 H new ATOM 674 N HIS A 47 -15.559 9.650 8.126 1.00 1.00 N ATOM 675 CA HIS A 47 -16.505 10.655 7.657 1.00 1.00 C ATOM 676 C HIS A 47 -16.336 11.950 8.473 1.00 1.00 C ATOM 677 O HIS A 47 -16.839 13.000 8.077 1.00 1.00 O ATOM 678 CB HIS A 47 -17.922 10.062 7.699 1.00 1.00 C ATOM 679 CG HIS A 47 -18.094 8.676 7.124 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.549 7.648 7.848 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.858 8.180 5.863 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.594 6.555 7.069 1.00 1.00 C ATOM 683 NE2 HIS A 47 -18.177 6.828 5.834 1.00 1.00 N ATOM 0 H HIS A 47 -15.999 8.786 8.442 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.312 10.931 6.620 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -18.252 10.043 8.738 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.590 10.738 7.164 1.00 1.00 H new ATOM 0 HD1 HIS A 47 -18.818 7.688 8.831 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.484 8.752 5.027 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -18.925 5.582 7.401 1.00 1.00 H new ATOM 691 N GLY A 48 -15.630 11.829 9.588 1.00 1.00 N ATOM 692 CA GLY A 48 -15.393 12.974 10.451 1.00 1.00 C ATOM 693 C GLY A 48 -14.329 13.898 9.857 1.00 1.00 C ATOM 694 O GLY A 48 -14.400 14.258 8.682 1.00 1.00 O ATOM 0 H GLY A 48 -15.215 10.956 9.913 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -16.322 13.526 10.591 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -15.074 12.632 11.435 1.00 1.00 H new ATOM 698 N LYS A 49 -13.367 14.256 10.694 1.00 1.00 N ATOM 699 CA LYS A 49 -12.289 15.132 10.266 1.00 1.00 C ATOM 700 C LYS A 49 -11.009 14.312 10.095 1.00 1.00 C ATOM 701 O LYS A 49 -9.937 14.729 10.529 1.00 1.00 O ATOM 702 CB LYS A 49 -12.140 16.310 11.231 1.00 1.00 C ATOM 703 CG LYS A 49 -12.248 17.643 10.490 1.00 1.00 C ATOM 704 CD LYS A 49 -11.771 18.801 11.370 1.00 1.00 C ATOM 705 CE LYS A 49 -12.789 19.942 11.373 1.00 1.00 C ATOM 706 NZ LYS A 49 -13.125 20.333 12.761 1.00 1.00 N ATOM 0 H LYS A 49 -13.311 13.955 11.667 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.519 15.572 9.296 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.910 16.254 12.000 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.177 16.249 11.739 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -11.652 17.605 9.578 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -13.282 17.813 10.189 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -11.613 18.447 12.389 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -10.810 19.167 11.007 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -12.385 20.799 10.835 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -13.692 19.633 10.847 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -13.817 21.109 12.745 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -13.530 19.517 13.263 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -12.263 20.648 13.251 1.00 1.00 H new ATOM 719 N GLY A 50 -11.164 13.159 9.460 1.00 1.00 N ATOM 720 CA GLY A 50 -10.033 12.276 9.226 1.00 1.00 C ATOM 721 C GLY A 50 -10.233 11.457 7.949 1.00 1.00 C ATOM 722 O GLY A 50 -9.802 10.308 7.870 1.00 1.00 O ATOM 0 H GLY A 50 -12.055 12.816 9.101 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -9.118 12.864 9.146 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.908 11.606 10.076 1.00 1.00 H new ATOM 726 N CYS A 51 -10.884 12.083 6.979 1.00 1.00 N ATOM 727 CA CYS A 51 -11.145 11.426 5.710 1.00 1.00 C ATOM 728 C CYS A 51 -11.936 12.392 4.824 1.00 1.00 C ATOM 729 O CYS A 51 -11.409 12.907 3.838 1.00 1.00 O ATOM 730 CB CYS A 51 -11.878 10.097 5.900 1.00 1.00 C ATOM 731 SG CYS A 51 -11.382 8.774 4.737 1.00 1.00 S ATOM 0 H CYS A 51 -11.238 13.037 7.047 1.00 1.00 H new ATOM 0 HA CYS A 51 -10.201 11.178 5.225 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.710 9.748 6.919 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.949 10.271 5.795 1.00 1.00 H new ATOM 736 N LYS A 52 -13.185 12.607 5.205 1.00 1.00 N ATOM 737 CA LYS A 52 -14.053 13.501 4.458 1.00 1.00 C ATOM 738 C LYS A 52 -13.893 14.926 4.992 1.00 1.00 C ATOM 739 O LYS A 52 -13.554 15.840 4.241 1.00 1.00 O ATOM 740 CB LYS A 52 -15.496 12.993 4.485 1.00 1.00 C ATOM 741 CG LYS A 52 -16.423 13.936 3.714 1.00 1.00 C ATOM 742 CD LYS A 52 -16.918 15.074 4.610 1.00 1.00 C ATOM 743 CE LYS A 52 -18.399 14.900 4.949 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.006 16.203 5.302 1.00 1.00 N ATOM 0 H LYS A 52 -13.618 12.177 6.022 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.765 13.520 3.407 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.542 11.995 4.049 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.836 12.906 5.517 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.894 14.349 2.855 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -17.275 13.377 3.326 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -16.332 15.100 5.528 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -16.766 16.029 4.108 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.924 14.466 4.098 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.509 14.204 5.780 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.012 16.067 5.529 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -18.515 16.602 6.127 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -18.918 16.856 4.498 1.00 1.00 H new ATOM 757 N GLY A 53 -14.142 15.070 6.285 1.00 1.00 N ATOM 758 CA GLY A 53 -14.029 16.368 6.929 1.00 1.00 C ATOM 759 C GLY A 53 -12.890 17.187 6.317 1.00 1.00 C ATOM 760 O GLY A 53 -13.105 18.303 5.849 1.00 1.00 O ATOM 0 H GLY A 53 -14.422 14.309 6.904 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.968 16.912 6.827 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.853 16.234 7.996 1.00 1.00 H new ATOM 764 N CYS A 54 -11.703 16.598 6.340 1.00 1.00 N ATOM 765 CA CYS A 54 -10.530 17.259 5.793 1.00 1.00 C ATOM 766 C CYS A 54 -10.930 17.941 4.483 1.00 1.00 C ATOM 767 O CYS A 54 -10.841 19.160 4.356 1.00 1.00 O ATOM 768 CB CYS A 54 -9.370 16.280 5.595 1.00 1.00 C ATOM 769 SG CYS A 54 -7.854 16.942 6.376 1.00 1.00 S ATOM 0 H CYS A 54 -11.529 15.671 6.728 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.171 18.009 6.497 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.621 15.313 6.031 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.199 16.116 4.531 1.00 1.00 H new ATOM 774 N HIS A 55 -11.367 17.118 3.529 1.00 1.00 N ATOM 775 CA HIS A 55 -11.792 17.586 2.214 1.00 1.00 C ATOM 776 C HIS A 55 -12.802 18.738 2.373 1.00 1.00 C ATOM 777 O HIS A 55 -12.681 19.762 1.703 1.00 1.00 O ATOM 778 CB HIS A 55 -12.321 16.390 1.409 1.00 1.00 C ATOM 779 CG HIS A 55 -11.433 15.168 1.345 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.902 13.929 1.514 1.00 1.00 N ATOM 781 CD2 HIS A 55 -10.083 15.039 1.124 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.884 13.061 1.403 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.738 13.694 1.161 1.00 1.00 N ATOM 0 H HIS A 55 -11.435 16.107 3.649 1.00 1.00 H new ATOM 0 HA HIS A 55 -10.957 18.000 1.648 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.280 16.092 1.833 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.513 16.724 0.390 1.00 1.00 H new ATOM 0 HD1 HIS A 55 -12.875 13.683 1.697 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.398 15.855 0.949 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.982 11.990 1.498 1.00 1.00 H new ATOM 791 N GLU A 56 -13.765 18.529 3.259 1.00 1.00 N ATOM 792 CA GLU A 56 -14.783 19.537 3.508 1.00 1.00 C ATOM 793 C GLU A 56 -14.223 20.649 4.394 1.00 1.00 C ATOM 794 O GLU A 56 -14.947 21.566 4.779 1.00 1.00 O ATOM 795 CB GLU A 56 -16.031 18.911 4.135 1.00 1.00 C ATOM 796 CG GLU A 56 -17.267 19.773 3.874 1.00 1.00 C ATOM 797 CD GLU A 56 -18.369 19.476 4.893 1.00 1.00 C ATOM 798 OE1 GLU A 56 -18.077 19.288 6.084 1.00 1.00 O ATOM 799 OE2 GLU A 56 -19.564 19.442 4.410 1.00 1.00 O ATOM 0 H GLU A 56 -13.862 17.678 3.813 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.076 19.974 2.553 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.186 17.913 3.725 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -15.884 18.796 5.209 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.996 20.828 3.923 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -17.639 19.586 2.866 1.00 1.00 H new ATOM 807 N GLU A 57 -12.937 20.534 4.694 1.00 1.00 N ATOM 808 CA GLU A 57 -12.271 21.520 5.528 1.00 1.00 C ATOM 809 C GLU A 57 -11.506 22.520 4.660 1.00 1.00 C ATOM 810 O GLU A 57 -11.716 23.728 4.766 1.00 1.00 O ATOM 811 CB GLU A 57 -11.340 20.845 6.537 1.00 1.00 C ATOM 812 CG GLU A 57 -11.585 21.377 7.951 1.00 1.00 C ATOM 813 CD GLU A 57 -10.417 21.033 8.877 1.00 1.00 C ATOM 814 OE1 GLU A 57 -10.017 19.862 8.962 1.00 1.00 O ATOM 815 OE2 GLU A 57 -9.918 22.033 9.520 1.00 1.00 O ATOM 0 H GLU A 57 -12.339 19.772 4.374 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.030 22.064 6.090 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -11.498 19.767 6.518 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.302 21.020 6.253 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -11.721 22.458 7.918 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -12.506 20.952 8.349 1.00 1.00 H new ATOM 823 N MET A 58 -10.634 21.981 3.820 1.00 1.00 N ATOM 824 CA MET A 58 -9.836 22.812 2.934 1.00 1.00 C ATOM 825 C MET A 58 -10.532 23.000 1.585 1.00 1.00 C ATOM 826 O MET A 58 -10.262 23.965 0.872 1.00 1.00 O ATOM 827 CB MET A 58 -8.469 22.161 2.718 1.00 1.00 C ATOM 828 CG MET A 58 -7.343 23.071 3.213 1.00 1.00 C ATOM 829 SD MET A 58 -6.146 22.117 4.131 1.00 1.00 S ATOM 830 CE MET A 58 -4.660 23.023 3.738 1.00 1.00 C ATOM 0 H MET A 58 -10.463 20.979 3.734 1.00 1.00 H new ATOM 0 HA MET A 58 -9.713 23.791 3.397 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.429 21.208 3.245 1.00 1.00 H new ATOM 0 HB3 MET A 58 -8.328 21.946 1.659 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.860 23.559 2.366 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.753 23.860 3.844 1.00 1.00 H new ATOM 0 HE1 MET A 58 -3.808 22.558 4.234 1.00 1.00 H new ATOM 0 HE2 MET A 58 -4.502 23.012 2.660 1.00 1.00 H new ATOM 0 HE3 MET A 58 -4.761 24.053 4.080 1.00 1.00 H new ATOM 840 N LYS A 59 -11.415 22.062 1.275 1.00 1.00 N ATOM 841 CA LYS A 59 -12.152 22.112 0.024 1.00 1.00 C ATOM 842 C LYS A 59 -11.352 21.391 -1.064 1.00 1.00 C ATOM 843 O LYS A 59 -11.389 21.782 -2.229 1.00 1.00 O ATOM 844 CB LYS A 59 -12.507 23.557 -0.332 1.00 1.00 C ATOM 845 CG LYS A 59 -13.832 23.624 -1.095 1.00 1.00 C ATOM 846 CD LYS A 59 -13.998 24.980 -1.784 1.00 1.00 C ATOM 847 CE LYS A 59 -15.224 24.981 -2.701 1.00 1.00 C ATOM 848 NZ LYS A 59 -16.327 25.758 -2.092 1.00 1.00 N ATOM 0 H LYS A 59 -11.637 21.263 1.869 1.00 1.00 H new ATOM 0 HA LYS A 59 -13.103 21.589 0.122 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -12.577 24.153 0.578 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -11.712 23.992 -0.938 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -13.869 22.827 -1.838 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -14.661 23.457 -0.407 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -14.100 25.764 -1.033 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -13.104 25.209 -2.365 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -14.961 25.409 -3.669 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -15.550 23.957 -2.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -17.150 25.748 -2.727 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -16.588 25.333 -1.180 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -16.018 26.739 -1.941 1.00 1.00 H new ATOM 861 N LYS A 60 -10.647 20.351 -0.644 1.00 1.00 N ATOM 862 CA LYS A 60 -9.839 19.572 -1.566 1.00 1.00 C ATOM 863 C LYS A 60 -10.109 18.083 -1.342 1.00 1.00 C ATOM 864 O LYS A 60 -10.029 17.596 -0.215 1.00 1.00 O ATOM 865 CB LYS A 60 -8.363 19.954 -1.442 1.00 1.00 C ATOM 866 CG LYS A 60 -7.893 19.857 0.011 1.00 1.00 C ATOM 867 CD LYS A 60 -6.563 20.590 0.206 1.00 1.00 C ATOM 868 CE LYS A 60 -5.634 20.369 -0.989 1.00 1.00 C ATOM 869 NZ LYS A 60 -5.896 21.376 -2.041 1.00 1.00 N ATOM 0 H LYS A 60 -10.619 20.030 0.324 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.116 19.796 -2.596 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -7.760 19.297 -2.068 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.214 20.969 -1.809 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.648 20.284 0.671 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.780 18.810 0.292 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.747 21.656 0.335 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.080 20.237 1.117 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -4.595 20.433 -0.666 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.781 19.367 -1.392 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -6.357 20.918 -2.853 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -6.518 22.119 -1.663 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -4.997 21.800 -2.347 1.00 1.00 H new ATOM 882 N GLY A 61 -10.424 17.400 -2.433 1.00 1.00 N ATOM 883 CA GLY A 61 -10.706 15.976 -2.369 1.00 1.00 C ATOM 884 C GLY A 61 -12.184 15.696 -2.652 1.00 1.00 C ATOM 885 O GLY A 61 -13.009 16.600 -2.763 1.00 1.00 O ATOM 0 H GLY A 61 -10.490 17.806 -3.366 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.087 15.446 -3.093 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.442 15.593 -1.383 1.00 1.00 H new ATOM 889 N PRO A 62 -12.501 14.405 -2.768 1.00 1.00 N ATOM 890 CA PRO A 62 -13.837 13.914 -3.033 1.00 1.00 C ATOM 891 C PRO A 62 -14.558 13.663 -1.717 1.00 1.00 C ATOM 892 O PRO A 62 -13.914 13.248 -0.756 1.00 1.00 O ATOM 893 CB PRO A 62 -13.629 12.611 -3.802 1.00 1.00 C ATOM 894 CG PRO A 62 -12.303 12.085 -3.153 1.00 1.00 C ATOM 895 CD PRO A 62 -11.556 13.317 -2.644 1.00 1.00 C ATOM 0 HA PRO A 62 -14.445 14.620 -3.599 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.458 11.916 -3.666 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -13.525 12.778 -4.874 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -12.517 11.395 -2.337 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.703 11.540 -3.882 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.238 13.186 -1.610 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.658 13.505 -3.232 1.00 1.00 H new ATOM 903 N THR A 63 -15.859 13.914 -1.696 1.00 1.00 N ATOM 904 CA THR A 63 -16.642 13.709 -0.489 1.00 1.00 C ATOM 905 C THR A 63 -17.758 12.694 -0.743 1.00 1.00 C ATOM 906 O THR A 63 -18.287 12.102 0.196 1.00 1.00 O ATOM 907 CB THR A 63 -17.155 15.073 -0.021 1.00 1.00 C ATOM 908 OG1 THR A 63 -18.057 15.475 -1.048 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.065 16.146 -0.040 1.00 1.00 C ATOM 0 H THR A 63 -16.391 14.258 -2.496 1.00 1.00 H new ATOM 0 HA THR A 63 -16.034 13.283 0.309 1.00 1.00 H new ATOM 0 HB THR A 63 -17.558 14.983 0.988 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.438 16.350 -0.825 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.482 17.094 0.301 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.251 15.849 0.621 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.685 16.261 -1.055 1.00 1.00 H new ATOM 915 N LYS A 64 -18.082 12.524 -2.016 1.00 1.00 N ATOM 916 CA LYS A 64 -19.125 11.591 -2.405 1.00 1.00 C ATOM 917 C LYS A 64 -18.735 10.181 -1.957 1.00 1.00 C ATOM 918 O LYS A 64 -17.553 9.854 -1.886 1.00 1.00 O ATOM 919 CB LYS A 64 -19.412 11.703 -3.904 1.00 1.00 C ATOM 920 CG LYS A 64 -20.386 10.612 -4.358 1.00 1.00 C ATOM 921 CD LYS A 64 -21.828 10.986 -4.009 1.00 1.00 C ATOM 922 CE LYS A 64 -22.589 9.777 -3.463 1.00 1.00 C ATOM 923 NZ LYS A 64 -23.974 9.756 -3.986 1.00 1.00 N ATOM 0 H LYS A 64 -17.640 13.017 -2.792 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.062 11.837 -1.905 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -19.831 12.685 -4.126 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -18.480 11.620 -4.464 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -20.295 10.463 -5.434 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.126 9.666 -3.882 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -21.831 11.787 -3.270 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -22.333 11.369 -4.896 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -22.074 8.858 -3.744 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -22.606 9.812 -2.374 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -24.476 8.929 -3.605 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -24.468 10.624 -3.696 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -23.952 9.700 -5.024 1.00 1.00 H new ATOM 936 N CYS A 65 -19.754 9.386 -1.664 1.00 1.00 N ATOM 937 CA CYS A 65 -19.533 8.020 -1.223 1.00 1.00 C ATOM 938 C CYS A 65 -18.902 7.239 -2.377 1.00 1.00 C ATOM 939 O CYS A 65 -17.770 6.767 -2.266 1.00 1.00 O ATOM 940 CB CYS A 65 -20.828 7.366 -0.734 1.00 1.00 C ATOM 941 SG CYS A 65 -22.114 8.539 -0.169 1.00 1.00 S ATOM 0 H CYS A 65 -20.734 9.662 -1.724 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.856 8.017 -0.369 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.239 6.759 -1.541 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.589 6.688 0.085 1.00 1.00 H new ATOM 946 N GLY A 66 -19.659 7.127 -3.459 1.00 1.00 N ATOM 947 CA GLY A 66 -19.186 6.413 -4.632 1.00 1.00 C ATOM 948 C GLY A 66 -17.718 6.735 -4.916 1.00 1.00 C ATOM 949 O GLY A 66 -17.001 5.920 -5.496 1.00 1.00 O ATOM 0 H GLY A 66 -20.597 7.519 -3.547 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.304 5.340 -4.481 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.794 6.682 -5.495 1.00 1.00 H new ATOM 953 N GLU A 67 -17.313 7.924 -4.495 1.00 1.00 N ATOM 954 CA GLU A 67 -15.943 8.362 -4.696 1.00 1.00 C ATOM 955 C GLU A 67 -14.998 7.598 -3.766 1.00 1.00 C ATOM 956 O GLU A 67 -13.935 7.147 -4.190 1.00 1.00 O ATOM 957 CB GLU A 67 -15.814 9.872 -4.486 1.00 1.00 C ATOM 958 CG GLU A 67 -16.569 10.642 -5.572 1.00 1.00 C ATOM 959 CD GLU A 67 -15.835 10.561 -6.912 1.00 1.00 C ATOM 960 OE1 GLU A 67 -14.995 9.671 -7.105 1.00 1.00 O ATOM 961 OE2 GLU A 67 -16.168 11.463 -7.771 1.00 1.00 O ATOM 0 H GLU A 67 -17.910 8.598 -4.015 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.661 8.145 -5.726 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.206 10.141 -3.505 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.762 10.156 -4.498 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.575 10.235 -5.679 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -16.677 11.685 -5.275 1.00 1.00 H new ATOM 969 N CYS A 68 -15.420 7.475 -2.516 1.00 1.00 N ATOM 970 CA CYS A 68 -14.625 6.773 -1.524 1.00 1.00 C ATOM 971 C CYS A 68 -14.961 5.282 -1.606 1.00 1.00 C ATOM 972 O CYS A 68 -14.070 4.435 -1.631 1.00 1.00 O ATOM 973 CB CYS A 68 -14.851 7.332 -0.118 1.00 1.00 C ATOM 974 SG CYS A 68 -13.535 8.533 0.298 1.00 1.00 S ATOM 0 H CYS A 68 -16.302 7.850 -2.168 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.566 6.918 -1.735 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.826 7.815 -0.063 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.856 6.520 0.609 1.00 1.00 H new ATOM 979 N HIS A 69 -16.264 5.000 -1.647 1.00 1.00 N ATOM 980 CA HIS A 69 -16.776 3.637 -1.726 1.00 1.00 C ATOM 981 C HIS A 69 -16.979 3.242 -3.200 1.00 1.00 C ATOM 982 O HIS A 69 -17.382 4.072 -4.012 1.00 1.00 O ATOM 983 CB HIS A 69 -18.042 3.531 -0.863 1.00 1.00 C ATOM 984 CG HIS A 69 -17.870 3.737 0.624 1.00 1.00 C ATOM 985 ND1 HIS A 69 -17.352 2.802 1.426 1.00 1.00 N ATOM 986 CD2 HIS A 69 -18.167 4.811 1.431 1.00 1.00 C ATOM 987 CE1 HIS A 69 -17.327 3.273 2.682 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.820 4.510 2.742 1.00 1.00 N ATOM 0 H HIS A 69 -16.993 5.713 -1.626 1.00 1.00 H new ATOM 0 HA HIS A 69 -16.062 2.918 -1.323 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.764 4.263 -1.226 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.480 2.546 -1.021 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -17.028 1.881 1.131 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.602 5.742 1.098 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.956 2.722 3.533 1.00 1.00 H new ATOM 996 N LYS A 70 -16.693 1.982 -3.494 1.00 1.00 N ATOM 997 CA LYS A 70 -16.842 1.477 -4.849 1.00 1.00 C ATOM 998 C LYS A 70 -17.398 0.053 -4.799 1.00 1.00 C ATOM 999 O LYS A 70 -16.726 -0.864 -4.330 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.522 1.596 -5.612 1.00 1.00 C ATOM 1001 CG LYS A 70 -15.635 0.970 -7.004 1.00 1.00 C ATOM 1002 CD LYS A 70 -15.975 2.030 -8.055 1.00 1.00 C ATOM 1003 CE LYS A 70 -15.380 1.663 -9.416 1.00 1.00 C ATOM 1004 NZ LYS A 70 -14.514 2.754 -9.915 1.00 1.00 N ATOM 0 H LYS A 70 -16.359 1.296 -2.817 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.560 2.080 -5.405 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -15.244 2.646 -5.703 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -14.728 1.103 -5.051 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -14.696 0.482 -7.265 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -16.405 0.198 -6.998 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -17.057 2.127 -8.142 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.592 2.999 -7.736 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -14.802 0.743 -9.331 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -16.181 1.471 -10.130 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -14.119 2.488 -10.839 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -15.075 3.624 -10.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -13.739 2.918 -9.241 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.621 -0.088 -5.290 1.00 1.00 N ATOM 1018 CA LYS A 71 -19.275 -1.384 -5.308 1.00 1.00 C ATOM 1019 C LYS A 71 -19.081 -2.030 -6.681 1.00 1.00 C ATOM 1020 O LYS A 71 -20.052 -2.366 -7.357 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.742 -1.251 -4.894 1.00 1.00 C ATOM 1022 CG LYS A 71 -21.453 -0.184 -5.729 1.00 1.00 C ATOM 1023 CD LYS A 71 -21.733 1.068 -4.897 1.00 1.00 C ATOM 1024 CE LYS A 71 -22.754 1.971 -5.591 1.00 1.00 C ATOM 1025 NZ LYS A 71 -22.719 3.333 -5.013 1.00 1.00 N ATOM 0 H LYS A 71 -19.176 0.675 -5.678 1.00 1.00 H new ATOM 0 HA LYS A 71 -18.820 -2.049 -4.574 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -21.246 -2.209 -5.016 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -20.803 -0.991 -3.837 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -20.838 0.078 -6.590 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -22.390 -0.585 -6.116 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -22.106 0.780 -3.914 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -20.805 1.618 -4.737 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -22.541 2.017 -6.659 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -23.753 1.550 -5.483 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -23.418 3.933 -5.496 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -22.945 3.286 -3.999 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -21.770 3.739 -5.138 1.00 1.00 H new TER 1038 LYS A 71 HETATM 1039 FE HEC A 101 0.080 8.014 6.842 1.00 1.00 FE HETATM 1040 CHA HEC A 101 -0.864 4.782 7.700 1.00 1.00 C HETATM 1041 CHB HEC A 101 3.391 7.149 7.559 1.00 1.00 C HETATM 1042 CHC HEC A 101 1.105 11.220 6.173 1.00 1.00 C HETATM 1043 CHD HEC A 101 -3.204 8.914 6.618 1.00 1.00 C HETATM 1044 NA HEC A 101 1.054 6.327 7.553 1.00 1.00 N HETATM 1045 C1A HEC A 101 0.496 5.074 7.736 1.00 1.00 C HETATM 1046 C2A HEC A 101 1.530 4.095 7.974 1.00 1.00 C HETATM 1047 C3A HEC A 101 2.711 4.748 7.935 1.00 1.00 C HETATM 1048 C4A HEC A 101 2.420 6.138 7.673 1.00 1.00 C HETATM 1049 CMA HEC A 101 4.087 4.179 8.123 1.00 1.00 C HETATM 1050 CAA HEC A 101 1.290 2.633 8.214 1.00 1.00 C HETATM 1051 CBA HEC A 101 1.538 1.754 6.991 1.00 1.00 C HETATM 1052 CGA HEC A 101 1.439 0.278 7.348 1.00 1.00 C HETATM 1053 O1A HEC A 101 2.242 -0.154 8.203 1.00 1.00 O HETATM 1054 O2A HEC A 101 0.562 -0.391 6.760 1.00 1.00 O HETATM 1055 NB HEC A 101 1.889 8.960 6.819 1.00 1.00 N HETATM 1056 C1B HEC A 101 3.118 8.471 7.228 1.00 1.00 C HETATM 1057 C2B HEC A 101 4.093 9.536 7.265 1.00 1.00 C HETATM 1058 C3B HEC A 101 3.462 10.665 6.881 1.00 1.00 C HETATM 1059 C4B HEC A 101 2.090 10.313 6.603 1.00 1.00 C HETATM 1060 CMB HEC A 101 5.531 9.370 7.663 1.00 1.00 C HETATM 1061 CAB HEC A 101 4.036 12.047 6.754 1.00 1.00 C HETATM 1062 CBB HEC A 101 5.326 12.258 7.543 1.00 1.00 C HETATM 1063 NC HEC A 101 -0.889 9.725 6.276 1.00 1.00 N HETATM 1064 C1C HEC A 101 -0.328 10.991 6.249 1.00 1.00 C HETATM 1065 C2C HEC A 101 -1.343 11.993 6.471 1.00 1.00 C HETATM 1066 C3C HEC A 101 -2.515 11.342 6.631 1.00 1.00 C HETATM 1067 C4C HEC A 101 -2.236 9.930 6.511 1.00 1.00 C HETATM 1068 CMC HEC A 101 -1.095 13.473 6.508 1.00 1.00 C HETATM 1069 CAC HEC A 101 -3.871 11.931 6.889 1.00 1.00 C HETATM 1070 CBC HEC A 101 -4.618 12.345 5.624 1.00 1.00 C HETATM 1071 ND HEC A 101 -1.664 7.052 7.110 1.00 1.00 N HETATM 1072 C1D HEC A 101 -2.927 7.595 6.960 1.00 1.00 C HETATM 1073 C2D HEC A 101 -3.936 6.594 7.212 1.00 1.00 C HETATM 1074 C3D HEC A 101 -3.291 5.446 7.512 1.00 1.00 C HETATM 1075 C4D HEC A 101 -1.875 5.727 7.449 1.00 1.00 C HETATM 1076 CMD HEC A 101 -5.417 6.829 7.141 1.00 1.00 C HETATM 1077 CAD HEC A 101 -3.888 4.112 7.852 1.00 1.00 C HETATM 1078 CBD HEC A 101 -4.166 3.917 9.340 1.00 1.00 C HETATM 1079 CGD HEC A 101 -4.971 2.649 9.586 1.00 1.00 C HETATM 1080 O1D HEC A 101 -4.329 1.617 9.876 1.00 1.00 O HETATM 1081 O2D HEC A 101 -6.213 2.736 9.479 1.00 1.00 O HETATM 0 HMD3 HEC A 101 -5.698 7.600 7.859 1.00 1.00 H new HETATM 0 HMD2 HEC A 101 -5.686 7.154 6.136 1.00 1.00 H new HETATM 0 HMD1 HEC A 101 -5.944 5.904 7.377 1.00 1.00 H new HETATM 0 HMC3 HEC A 101 -0.389 13.704 7.306 1.00 1.00 H new HETATM 0 HMC2 HEC A 101 -0.681 13.797 5.553 1.00 1.00 H new HETATM 0 HMC1 HEC A 101 -2.034 13.995 6.692 1.00 1.00 H new HETATM 0 HMB3 HEC A 101 5.585 8.996 8.685 1.00 1.00 H new HETATM 0 HMB2 HEC A 101 6.015 8.661 6.991 1.00 1.00 H new HETATM 0 HMB1 HEC A 101 6.039 10.332 7.602 1.00 1.00 H new HETATM 0 HMA3 HEC A 101 4.162 3.728 9.112 1.00 1.00 H new HETATM 0 HMA2 HEC A 101 4.274 3.420 7.363 1.00 1.00 H new HETATM 0 HMA1 HEC A 101 4.826 4.975 8.031 1.00 1.00 H new HETATM 0 HBD2 HEC A 101 -3.224 3.865 9.885 1.00 1.00 H new HETATM 0 HBD1 HEC A 101 -4.711 4.778 9.727 1.00 1.00 H new HETATM 0 HBC3 HEC A 101 -4.038 13.096 5.088 1.00 1.00 H new HETATM 0 HBC2 HEC A 101 -4.762 11.474 4.985 1.00 1.00 H new HETATM 0 HBC1 HEC A 101 -5.589 12.761 5.894 1.00 1.00 H new HETATM 0 HBB3 HEC A 101 5.137 12.084 8.602 1.00 1.00 H new HETATM 0 HBB2 HEC A 101 6.086 11.561 7.191 1.00 1.00 H new HETATM 0 HBB1 HEC A 101 5.677 13.280 7.400 1.00 1.00 H new HETATM 0 HBA2 HEC A 101 0.812 1.993 6.214 1.00 1.00 H new HETATM 0 HBA1 HEC A 101 2.525 1.967 6.581 1.00 1.00 H new HETATM 0 HAD2 HEC A 101 -4.820 3.991 7.300 1.00 1.00 H new HETATM 0 HAD1 HEC A 101 -3.213 3.326 7.513 1.00 1.00 H new HETATM 0 HAA2 HEC A 101 1.935 2.298 9.026 1.00 1.00 H new HETATM 0 HAA1 HEC A 101 0.261 2.494 8.546 1.00 1.00 H new HETATM 0 HHD HEC A 101 -4.242 9.179 6.419 1.00 1.00 H new HETATM 0 HHC HEC A 101 1.442 12.167 5.751 1.00 1.00 H new HETATM 0 HHB HEC A 101 4.430 6.877 7.743 1.00 1.00 H new HETATM 0 HHA HEC A 101 -1.167 3.750 7.879 1.00 1.00 H new HETATM 0 H2D HEC A 101 -6.619 1.862 9.657 1.00 1.00 H new HETATM 0 H2A HEC A 101 0.743 -1.346 6.881 1.00 1.00 H new HETATM 1082 FE HEC A 102 -7.911 12.917 0.905 1.00 1.00 FE HETATM 1083 CHA HEC A 102 -7.663 14.166 -2.291 1.00 1.00 C HETATM 1084 CHB HEC A 102 -9.539 10.091 -0.393 1.00 1.00 C HETATM 1085 CHC HEC A 102 -8.227 11.560 4.062 1.00 1.00 C HETATM 1086 CHD HEC A 102 -6.464 15.743 2.157 1.00 1.00 C HETATM 1087 NA HEC A 102 -8.491 12.265 -0.955 1.00 1.00 N HETATM 1088 C1A HEC A 102 -8.279 12.926 -2.152 1.00 1.00 C HETATM 1089 C2A HEC A 102 -8.792 12.146 -3.253 1.00 1.00 C HETATM 1090 C3A HEC A 102 -9.313 11.016 -2.730 1.00 1.00 C HETATM 1091 C4A HEC A 102 -9.127 11.085 -1.300 1.00 1.00 C HETATM 1092 CMA HEC A 102 -9.968 9.878 -3.457 1.00 1.00 C HETATM 1093 CAA HEC A 102 -8.735 12.555 -4.697 1.00 1.00 C HETATM 1094 CBA HEC A 102 -7.346 12.444 -5.318 1.00 1.00 C HETATM 1095 CGA HEC A 102 -6.759 11.057 -5.103 1.00 1.00 C HETATM 1096 O1A HEC A 102 -6.339 10.455 -6.115 1.00 1.00 O HETATM 1097 O2A HEC A 102 -6.741 10.623 -3.930 1.00 1.00 O HETATM 1098 NB HEC A 102 -8.739 11.189 1.666 1.00 1.00 N HETATM 1099 C1B HEC A 102 -9.321 10.138 0.980 1.00 1.00 C HETATM 1100 C2B HEC A 102 -9.680 9.080 1.895 1.00 1.00 C HETATM 1101 C3B HEC A 102 -9.317 9.483 3.131 1.00 1.00 C HETATM 1102 C4B HEC A 102 -8.731 10.796 2.994 1.00 1.00 C HETATM 1103 CMB HEC A 102 -10.332 7.787 1.500 1.00 1.00 C HETATM 1104 CAB HEC A 102 -9.473 8.744 4.427 1.00 1.00 C HETATM 1105 CBB HEC A 102 -8.861 7.346 4.422 1.00 1.00 C HETATM 1106 NC HEC A 102 -7.397 13.533 2.774 1.00 1.00 N HETATM 1107 C1C HEC A 102 -7.767 12.971 3.984 1.00 1.00 C HETATM 1108 C2C HEC A 102 -7.541 13.907 5.060 1.00 1.00 C HETATM 1109 C3C HEC A 102 -7.036 15.031 4.509 1.00 1.00 C HETATM 1110 C4C HEC A 102 -6.944 14.803 3.087 1.00 1.00 C HETATM 1111 CMC HEC A 102 -7.828 13.636 6.508 1.00 1.00 C HETATM 1112 CAC HEC A 102 -6.633 16.299 5.204 1.00 1.00 C HETATM 1113 CBC HEC A 102 -5.353 16.177 6.026 1.00 1.00 C HETATM 1114 ND HEC A 102 -7.310 14.657 0.110 1.00 1.00 N HETATM 1115 C1D HEC A 102 -6.549 15.602 0.777 1.00 1.00 C HETATM 1116 C2D HEC A 102 -5.844 16.435 -0.171 1.00 1.00 C HETATM 1117 C3D HEC A 102 -6.175 16.000 -1.404 1.00 1.00 C HETATM 1118 C4D HEC A 102 -7.088 14.894 -1.234 1.00 1.00 C HETATM 1119 CMD HEC A 102 -4.926 17.564 0.197 1.00 1.00 C HETATM 1120 CAD HEC A 102 -5.708 16.534 -2.728 1.00 1.00 C HETATM 1121 CBD HEC A 102 -5.172 15.464 -3.674 1.00 1.00 C HETATM 1122 CGD HEC A 102 -5.422 15.842 -5.127 1.00 1.00 C HETATM 1123 O1D HEC A 102 -6.498 15.459 -5.636 1.00 1.00 O HETATM 1124 O2D HEC A 102 -4.534 16.508 -5.701 1.00 1.00 O HETATM 0 HMD3 HEC A 102 -5.478 18.310 0.769 1.00 1.00 H new HETATM 0 HMD2 HEC A 102 -4.102 17.181 0.800 1.00 1.00 H new HETATM 0 HMD1 HEC A 102 -4.530 18.021 -0.710 1.00 1.00 H new HETATM 0 HMC3 HEC A 102 -8.888 13.418 6.634 1.00 1.00 H new HETATM 0 HMC2 HEC A 102 -7.240 12.781 6.842 1.00 1.00 H new HETATM 0 HMC1 HEC A 102 -7.564 14.512 7.101 1.00 1.00 H new HETATM 0 HMB3 HEC A 102 -11.292 7.993 1.026 1.00 1.00 H new HETATM 0 HMB2 HEC A 102 -9.689 7.254 0.800 1.00 1.00 H new HETATM 0 HMB1 HEC A 102 -10.490 7.173 2.387 1.00 1.00 H new HETATM 0 HMA3 HEC A 102 -10.840 10.246 -3.998 1.00 1.00 H new HETATM 0 HMA2 HEC A 102 -9.261 9.442 -4.162 1.00 1.00 H new HETATM 0 HMA1 HEC A 102 -10.280 9.119 -2.739 1.00 1.00 H new HETATM 0 HBD2 HEC A 102 -4.103 15.330 -3.509 1.00 1.00 H new HETATM 0 HBD1 HEC A 102 -5.650 14.509 -3.456 1.00 1.00 H new HETATM 0 HBC3 HEC A 102 -5.486 15.417 6.796 1.00 1.00 H new HETATM 0 HBC2 HEC A 102 -4.528 15.892 5.374 1.00 1.00 H new HETATM 0 HBC1 HEC A 102 -5.130 17.135 6.496 1.00 1.00 H new HETATM 0 HBB3 HEC A 102 -9.337 6.743 3.649 1.00 1.00 H new HETATM 0 HBB2 HEC A 102 -7.792 7.417 4.219 1.00 1.00 H new HETATM 0 HBB1 HEC A 102 -9.016 6.878 5.394 1.00 1.00 H new HETATM 0 HBA2 HEC A 102 -7.404 12.656 -6.386 1.00 1.00 H new HETATM 0 HBA1 HEC A 102 -6.687 13.193 -4.879 1.00 1.00 H new HETATM 0 HAD2 HEC A 102 -6.536 17.051 -3.212 1.00 1.00 H new HETATM 0 HAD1 HEC A 102 -4.928 17.275 -2.555 1.00 1.00 H new HETATM 0 HAA2 HEC A 102 -9.427 11.936 -5.267 1.00 1.00 H new HETATM 0 HAA1 HEC A 102 -9.081 13.585 -4.786 1.00 1.00 H new HETATM 0 HHD HEC A 102 -5.992 16.645 2.546 1.00 1.00 H new HETATM 0 HHC HEC A 102 -8.168 11.073 5.035 1.00 1.00 H new HETATM 0 HHB HEC A 102 -10.065 9.225 -0.794 1.00 1.00 H new HETATM 0 HHA HEC A 102 -7.623 14.604 -3.289 1.00 1.00 H new HETATM 0 H2D HEC A 102 -4.684 16.487 -6.669 1.00 1.00 H new HETATM 0 H2A HEC A 102 -7.125 9.722 -3.909 1.00 1.00 H new HETATM 1125 FE HEC A 103 -18.027 5.697 4.340 1.00 1.00 FE HETATM 1126 CHA HEC A 103 -17.114 2.978 6.220 1.00 1.00 C HETATM 1127 CHB HEC A 103 -21.357 4.800 4.669 1.00 1.00 C HETATM 1128 CHC HEC A 103 -18.973 8.234 2.168 1.00 1.00 C HETATM 1129 CHD HEC A 103 -14.731 6.500 3.845 1.00 1.00 C HETATM 1130 NA HEC A 103 -19.024 4.206 5.253 1.00 1.00 N HETATM 1131 C1A HEC A 103 -18.472 3.167 5.984 1.00 1.00 C HETATM 1132 C2A HEC A 103 -19.511 2.293 6.476 1.00 1.00 C HETATM 1133 C3A HEC A 103 -20.688 2.795 6.048 1.00 1.00 C HETATM 1134 C4A HEC A 103 -20.390 3.986 5.287 1.00 1.00 C HETATM 1135 CMA HEC A 103 -22.067 2.255 6.293 1.00 1.00 C HETATM 1136 CAA HEC A 103 -19.278 1.065 7.307 1.00 1.00 C HETATM 1137 CBA HEC A 103 -18.450 -0.009 6.607 1.00 1.00 C HETATM 1138 CGA HEC A 103 -19.064 -1.388 6.802 1.00 1.00 C HETATM 1139 O1A HEC A 103 -19.133 -1.819 7.974 1.00 1.00 O HETATM 1140 O2A HEC A 103 -19.452 -1.986 5.776 1.00 1.00 O HETATM 1141 NB HEC A 103 -19.797 6.354 3.557 1.00 1.00 N HETATM 1142 C1B HEC A 103 -21.066 5.891 3.856 1.00 1.00 C HETATM 1143 C2B HEC A 103 -22.063 6.704 3.201 1.00 1.00 C HETATM 1144 C3B HEC A 103 -21.406 7.657 2.507 1.00 1.00 C HETATM 1145 C4B HEC A 103 -19.995 7.443 2.726 1.00 1.00 C HETATM 1146 CMB HEC A 103 -23.547 6.491 3.303 1.00 1.00 C HETATM 1147 CAB HEC A 103 -21.988 8.749 1.657 1.00 1.00 C HETATM 1148 CBB HEC A 103 -23.241 9.392 2.246 1.00 1.00 C HETATM 1149 NC HEC A 103 -17.067 7.181 3.378 1.00 1.00 N HETATM 1150 C1C HEC A 103 -17.617 8.196 2.616 1.00 1.00 C HETATM 1151 C2C HEC A 103 -16.573 8.978 1.997 1.00 1.00 C HETATM 1152 C3C HEC A 103 -15.395 8.443 2.379 1.00 1.00 C HETATM 1153 C4C HEC A 103 -15.697 7.323 3.239 1.00 1.00 C HETATM 1154 CMC HEC A 103 -16.804 10.161 1.100 1.00 1.00 C HETATM 1155 CAC HEC A 103 -14.012 8.892 2.007 1.00 1.00 C HETATM 1156 CBC HEC A 103 -13.787 10.393 2.151 1.00 1.00 C HETATM 1157 ND HEC A 103 -16.290 4.908 4.902 1.00 1.00 N HETATM 1158 C1D HEC A 103 -15.022 5.379 4.617 1.00 1.00 C HETATM 1159 C2D HEC A 103 -14.023 4.541 5.238 1.00 1.00 C HETATM 1160 C3D HEC A 103 -14.681 3.563 5.897 1.00 1.00 C HETATM 1161 C4D HEC A 103 -16.093 3.788 5.691 1.00 1.00 C HETATM 1162 CMD HEC A 103 -12.541 4.754 5.141 1.00 1.00 C HETATM 1163 CAD HEC A 103 -14.099 2.439 6.702 1.00 1.00 C HETATM 1164 CBD HEC A 103 -13.855 1.163 5.901 1.00 1.00 C HETATM 1165 CGD HEC A 103 -13.694 -0.039 6.820 1.00 1.00 C HETATM 1166 O1D HEC A 103 -12.541 -0.287 7.236 1.00 1.00 O HETATM 1167 O2D HEC A 103 -14.727 -0.689 7.091 1.00 1.00 O HETATM 0 HMD3 HEC A 103 -12.235 4.711 4.096 1.00 1.00 H new HETATM 0 HMD2 HEC A 103 -12.286 5.730 5.554 1.00 1.00 H new HETATM 0 HMD1 HEC A 103 -12.024 3.976 5.703 1.00 1.00 H new HETATM 0 HMC3 HEC A 103 -17.383 9.851 0.230 1.00 1.00 H new HETATM 0 HMC2 HEC A 103 -17.352 10.929 1.645 1.00 1.00 H new HETATM 0 HMC1 HEC A 103 -15.845 10.562 0.773 1.00 1.00 H new HETATM 0 HMB3 HEC A 103 -23.799 5.499 2.927 1.00 1.00 H new HETATM 0 HMB2 HEC A 103 -23.856 6.573 4.345 1.00 1.00 H new HETATM 0 HMB1 HEC A 103 -24.064 7.246 2.711 1.00 1.00 H new HETATM 0 HMA3 HEC A 103 -22.141 1.247 5.884 1.00 1.00 H new HETATM 0 HMA2 HEC A 103 -22.262 2.227 7.365 1.00 1.00 H new HETATM 0 HMA1 HEC A 103 -22.801 2.898 5.808 1.00 1.00 H new HETATM 0 HBD2 HEC A 103 -14.688 0.994 5.218 1.00 1.00 H new HETATM 0 HBD1 HEC A 103 -12.960 1.279 5.289 1.00 1.00 H new HETATM 0 HBC3 HEC A 103 -14.483 10.929 1.506 1.00 1.00 H new HETATM 0 HBC2 HEC A 103 -13.953 10.688 3.187 1.00 1.00 H new HETATM 0 HBC1 HEC A 103 -12.764 10.637 1.863 1.00 1.00 H new HETATM 0 HBB3 HEC A 103 -24.015 8.634 2.370 1.00 1.00 H new HETATM 0 HBB2 HEC A 103 -23.004 9.831 3.215 1.00 1.00 H new HETATM 0 HBB1 HEC A 103 -23.601 10.171 1.574 1.00 1.00 H new HETATM 0 HBA2 HEC A 103 -18.383 0.215 5.542 1.00 1.00 H new HETATM 0 HBA1 HEC A 103 -17.433 -0.002 6.999 1.00 1.00 H new HETATM 0 HAD2 HEC A 103 -13.156 2.768 7.138 1.00 1.00 H new HETATM 0 HAD1 HEC A 103 -14.771 2.213 7.530 1.00 1.00 H new HETATM 0 HAA2 HEC A 103 -18.775 1.353 8.230 1.00 1.00 H new HETATM 0 HAA1 HEC A 103 -20.242 0.641 7.588 1.00 1.00 H new HETATM 0 HHD HEC A 103 -13.682 6.758 3.700 1.00 1.00 H new HETATM 0 HHC HEC A 103 -19.229 8.910 1.352 1.00 1.00 H new HETATM 0 HHB HEC A 103 -22.406 4.559 4.839 1.00 1.00 H new HETATM 0 HHA HEC A 103 -16.821 2.145 6.859 1.00 1.00 H new HETATM 0 H2D HEC A 103 -14.477 -1.554 7.477 1.00 1.00 H new HETATM 0 H2A HEC A 103 -20.368 -2.308 5.912 1.00 1.00 H new