USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 602 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 : A 56 ASNHD21 : A 56 ASN OD1 : A 105 LALA :(metal ligand) USER MOD NoAdj : A 56 ASNHD22 : A 56 ASN OD1 : A 105 LALA :(metal ligand) USER MOD Set 1.1: A 12 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Set 1.2: A 16 LYS NZ :NH3+ 166:sc= 0.00722 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -162:sc= -0.0515 (180deg=-0.382) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 120:sc= -1.52 USER MOD Single : A 21 ASN : amide:sc= 0.735 K(o=0.74,f=-0.4) USER MOD Single : A 22 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.24) USER MOD Single : A 24 SER OG : rot 17:sc= 0.0328 USER MOD Single : A 25 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 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -159:sc= -0.0374 (180deg=-0.288) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 110:sc= 0.809 USER MOD Single : A 67 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.0021) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA LYS A 1 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C LYS A 1 1.468 -1.032 -2.199 1.00 0.00 C ATOM 4 O LYS A 1 1.407 -0.806 -3.407 1.00 0.00 O ATOM 5 CB LYS A 1 3.564 -0.213 -0.975 1.00 0.00 C ATOM 6 CG LYS A 1 4.355 1.073 -1.222 1.00 0.00 C ATOM 7 CD LYS A 1 5.845 0.863 -0.942 1.00 0.00 C ATOM 8 CE LYS A 1 6.676 2.022 -1.496 1.00 0.00 C ATOM 9 NZ LYS A 1 7.093 2.929 -0.404 1.00 0.00 N ATOM 0 H1 LYS A 1 1.520 0.878 0.522 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.308 -0.062 -0.206 1.00 0.00 H new ATOM 0 H3 LYS A 1 1.612 -0.816 0.577 1.00 0.00 H new ATOM 0 HA LYS A 1 1.997 0.971 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 1 3.708 -0.540 0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 1 3.944 -1.007 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.217 1.396 -2.254 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.970 1.869 -0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.008 0.775 0.132 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.175 -0.073 -1.392 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.555 1.634 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 1 6.094 2.575 -2.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 7.656 3.710 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 6.250 3.314 0.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 7.666 2.402 0.285 1.00 0.00 H new ATOM 23 N SER A 2 1.036 -2.143 -1.621 1.00 0.00 N ATOM 24 CA SER A 2 0.438 -3.210 -2.404 1.00 0.00 C ATOM 25 C SER A 2 -1.003 -2.847 -2.770 1.00 0.00 C ATOM 26 O SER A 2 -1.596 -1.957 -2.162 1.00 0.00 O ATOM 27 CB SER A 2 0.474 -4.538 -1.645 1.00 0.00 C ATOM 28 OG SER A 2 1.460 -5.425 -2.167 1.00 0.00 O ATOM 0 H SER A 2 1.088 -2.327 -0.619 1.00 0.00 H new ATOM 0 HA SER A 2 1.019 -3.329 -3.318 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.679 -4.348 -0.591 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.506 -5.013 -1.699 1.00 0.00 H new ATOM 0 HG SER A 2 1.453 -6.260 -1.655 1.00 0.00 H new ATOM 34 N PRO A 3 -1.539 -3.574 -3.787 1.00 0.00 N ATOM 35 CA PRO A 3 -2.899 -3.337 -4.240 1.00 0.00 C ATOM 36 C PRO A 3 -3.914 -3.910 -3.250 1.00 0.00 C ATOM 37 O PRO A 3 -4.888 -3.245 -2.899 1.00 0.00 O ATOM 38 CB PRO A 3 -2.975 -3.987 -5.612 1.00 0.00 C ATOM 39 CG PRO A 3 -1.808 -4.959 -5.678 1.00 0.00 C ATOM 40 CD PRO A 3 -0.867 -4.636 -4.530 1.00 0.00 C ATOM 0 HA PRO A 3 -3.143 -2.277 -4.302 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -3.924 -4.506 -5.746 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -2.906 -3.240 -6.403 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.163 -5.987 -5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.290 -4.869 -6.633 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -0.694 -5.510 -3.902 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.106 -4.309 -4.896 1.00 0.00 H new ATOM 48 N GLU A 4 -3.653 -5.138 -2.827 1.00 0.00 N ATOM 49 CA GLU A 4 -4.532 -5.809 -1.884 1.00 0.00 C ATOM 50 C GLU A 4 -4.664 -4.984 -0.603 1.00 0.00 C ATOM 51 O GLU A 4 -5.719 -4.975 0.029 1.00 0.00 O ATOM 52 CB GLU A 4 -4.032 -7.222 -1.578 1.00 0.00 C ATOM 53 CG GLU A 4 -5.102 -8.265 -1.904 1.00 0.00 C ATOM 54 CD GLU A 4 -5.352 -9.186 -0.708 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.480 -10.047 -0.463 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.410 -9.008 -0.066 1.00 0.00 O ATOM 0 H GLU A 4 -2.845 -5.686 -3.120 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.519 -5.899 -2.338 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.132 -7.426 -2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.757 -7.294 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.030 -7.765 -2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.788 -8.857 -2.764 1.00 0.00 H new ATOM 63 N GLU A 5 -3.577 -4.310 -0.256 1.00 0.00 N ATOM 64 CA GLU A 5 -3.558 -3.483 0.939 1.00 0.00 C ATOM 65 C GLU A 5 -4.506 -2.294 0.776 1.00 0.00 C ATOM 66 O GLU A 5 -5.161 -1.882 1.733 1.00 0.00 O ATOM 67 CB GLU A 5 -2.137 -3.013 1.257 1.00 0.00 C ATOM 68 CG GLU A 5 -1.591 -3.719 2.499 1.00 0.00 C ATOM 69 CD GLU A 5 -0.879 -2.730 3.424 1.00 0.00 C ATOM 70 OE1 GLU A 5 -1.477 -1.664 3.683 1.00 0.00 O ATOM 71 OE2 GLU A 5 0.248 -3.062 3.851 1.00 0.00 O ATOM 0 H GLU A 5 -2.703 -4.320 -0.782 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.903 -4.084 1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -1.486 -3.211 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -2.134 -1.935 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.408 -4.201 3.036 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.898 -4.505 2.199 1.00 0.00 H new ATOM 78 N LEU A 6 -4.549 -1.774 -0.442 1.00 0.00 N ATOM 79 CA LEU A 6 -5.407 -0.640 -0.741 1.00 0.00 C ATOM 80 C LEU A 6 -6.855 -0.997 -0.401 1.00 0.00 C ATOM 81 O LEU A 6 -7.608 -0.154 0.084 1.00 0.00 O ATOM 82 CB LEU A 6 -5.209 -0.186 -2.189 1.00 0.00 C ATOM 83 CG LEU A 6 -4.161 0.906 -2.412 1.00 0.00 C ATOM 84 CD1 LEU A 6 -3.883 1.103 -3.904 1.00 0.00 C ATOM 85 CD2 LEU A 6 -4.575 2.211 -1.729 1.00 0.00 C ATOM 0 H LEU A 6 -4.004 -2.117 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.136 0.216 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.933 -1.055 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.165 0.172 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.228 0.583 -1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.135 1.885 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.513 0.171 -4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.803 1.394 -4.410 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.813 2.970 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.526 2.551 -2.139 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.682 2.043 -0.657 1.00 0.00 H new ATOM 97 N LYS A 7 -7.201 -2.247 -0.670 1.00 0.00 N ATOM 98 CA LYS A 7 -8.546 -2.726 -0.399 1.00 0.00 C ATOM 99 C LYS A 7 -8.785 -2.732 1.112 1.00 0.00 C ATOM 100 O LYS A 7 -9.732 -2.114 1.597 1.00 0.00 O ATOM 101 CB LYS A 7 -8.775 -4.085 -1.063 1.00 0.00 C ATOM 102 CG LYS A 7 -10.187 -4.180 -1.645 1.00 0.00 C ATOM 103 CD LYS A 7 -10.832 -5.524 -1.301 1.00 0.00 C ATOM 104 CE LYS A 7 -10.656 -6.526 -2.443 1.00 0.00 C ATOM 105 NZ LYS A 7 -9.296 -7.110 -2.415 1.00 0.00 N ATOM 0 H LYS A 7 -6.573 -2.943 -1.073 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.285 -2.055 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.041 -4.235 -1.854 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.624 -4.880 -0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.800 -3.368 -1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.147 -4.058 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.385 -5.923 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.893 -5.381 -1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.400 -7.318 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.826 -6.031 -3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.193 -7.788 -3.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.591 -6.353 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.147 -7.600 -1.510 1.00 0.00 H new ATOM 119 N GLY A 8 -7.911 -3.438 1.815 1.00 0.00 N ATOM 120 CA GLY A 8 -8.015 -3.532 3.261 1.00 0.00 C ATOM 121 C GLY A 8 -7.977 -2.145 3.906 1.00 0.00 C ATOM 122 O GLY A 8 -8.858 -1.797 4.690 1.00 0.00 O ATOM 0 H GLY A 8 -7.128 -3.950 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.943 -4.037 3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -7.198 -4.140 3.649 1.00 0.00 H new ATOM 126 N ILE A 9 -6.947 -1.391 3.551 1.00 0.00 N ATOM 127 CA ILE A 9 -6.782 -0.050 4.085 1.00 0.00 C ATOM 128 C ILE A 9 -8.059 0.755 3.833 1.00 0.00 C ATOM 129 O ILE A 9 -8.599 1.372 4.749 1.00 0.00 O ATOM 130 CB ILE A 9 -5.521 0.602 3.515 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.306 0.311 4.398 1.00 0.00 C ATOM 132 CG2 ILE A 9 -5.728 2.103 3.302 1.00 0.00 C ATOM 133 CD1 ILE A 9 -3.062 1.033 3.876 1.00 0.00 C ATOM 0 H ILE A 9 -6.218 -1.683 2.900 1.00 0.00 H new ATOM 0 HA ILE A 9 -6.634 -0.085 5.164 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.322 0.162 2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.512 0.627 5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.122 -0.763 4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.817 2.542 2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.549 2.261 2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.966 2.576 4.255 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.213 0.809 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.845 0.697 2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.240 2.108 3.871 1.00 0.00 H new ATOM 145 N PHE A 10 -8.504 0.723 2.585 1.00 0.00 N ATOM 146 CA PHE A 10 -9.706 1.442 2.201 1.00 0.00 C ATOM 147 C PHE A 10 -10.865 1.116 3.145 1.00 0.00 C ATOM 148 O PHE A 10 -11.474 2.016 3.721 1.00 0.00 O ATOM 149 CB PHE A 10 -10.070 0.981 0.788 1.00 0.00 C ATOM 150 CG PHE A 10 -11.466 1.413 0.333 1.00 0.00 C ATOM 151 CD1 PHE A 10 -12.560 0.715 0.740 1.00 0.00 C ATOM 152 CD2 PHE A 10 -11.612 2.494 -0.479 1.00 0.00 C ATOM 153 CE1 PHE A 10 -13.855 1.116 0.318 1.00 0.00 C ATOM 154 CE2 PHE A 10 -12.908 2.895 -0.901 1.00 0.00 C ATOM 155 CZ PHE A 10 -14.002 2.197 -0.494 1.00 0.00 C ATOM 0 H PHE A 10 -8.053 0.210 1.827 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.527 2.516 2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.333 1.374 0.088 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -10.005 -0.106 0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.444 -0.144 1.384 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.743 3.048 -0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -14.724 0.562 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.024 3.754 -1.545 1.00 0.00 H new ATOM 0 HZ PHE A 10 -14.987 2.501 -0.816 1.00 0.00 H new ATOM 165 N GLU A 11 -11.136 -0.175 3.274 1.00 0.00 N ATOM 166 CA GLU A 11 -12.212 -0.631 4.138 1.00 0.00 C ATOM 167 C GLU A 11 -11.938 -0.222 5.587 1.00 0.00 C ATOM 168 O GLU A 11 -12.847 0.204 6.298 1.00 0.00 O ATOM 169 CB GLU A 11 -12.403 -2.145 4.023 1.00 0.00 C ATOM 170 CG GLU A 11 -13.741 -2.479 3.361 1.00 0.00 C ATOM 171 CD GLU A 11 -14.272 -3.829 3.848 1.00 0.00 C ATOM 172 OE1 GLU A 11 -14.836 -3.848 4.963 1.00 0.00 O ATOM 173 OE2 GLU A 11 -14.101 -4.811 3.094 1.00 0.00 O ATOM 0 H GLU A 11 -10.629 -0.919 2.795 1.00 0.00 H new ATOM 0 HA GLU A 11 -13.138 -0.155 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.588 -2.575 3.441 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.360 -2.597 5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.467 -1.697 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.619 -2.501 2.278 1.00 0.00 H new ATOM 180 N LYS A 12 -10.681 -0.365 5.981 1.00 0.00 N ATOM 181 CA LYS A 12 -10.276 -0.015 7.333 1.00 0.00 C ATOM 182 C LYS A 12 -10.547 1.471 7.573 1.00 0.00 C ATOM 183 O LYS A 12 -10.655 1.909 8.717 1.00 0.00 O ATOM 184 CB LYS A 12 -8.822 -0.423 7.579 1.00 0.00 C ATOM 185 CG LYS A 12 -8.468 -0.320 9.064 1.00 0.00 C ATOM 186 CD LYS A 12 -6.962 -0.130 9.256 1.00 0.00 C ATOM 187 CE LYS A 12 -6.643 0.297 10.690 1.00 0.00 C ATOM 188 NZ LYS A 12 -6.159 1.695 10.719 1.00 0.00 N ATOM 0 H LYS A 12 -9.930 -0.718 5.388 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.866 -0.569 8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.664 -1.445 7.234 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.158 0.216 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.004 0.517 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.794 -1.222 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.442 -1.060 9.025 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.595 0.622 8.558 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.534 0.201 11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.887 -0.365 11.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.189 2.053 11.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.181 1.731 10.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.766 2.285 10.115 1.00 0.00 H new ATOM 202 N TYR A 13 -10.650 2.207 6.476 1.00 0.00 N ATOM 203 CA TYR A 13 -10.906 3.635 6.553 1.00 0.00 C ATOM 204 C TYR A 13 -12.400 3.933 6.403 1.00 0.00 C ATOM 205 O TYR A 13 -12.955 4.735 7.152 1.00 0.00 O ATOM 206 CB TYR A 13 -10.153 4.262 5.378 1.00 0.00 C ATOM 207 CG TYR A 13 -8.837 4.937 5.772 1.00 0.00 C ATOM 208 CD1 TYR A 13 -8.851 6.186 6.358 1.00 0.00 C ATOM 209 CD2 TYR A 13 -7.637 4.296 5.542 1.00 0.00 C ATOM 210 CE1 TYR A 13 -7.613 6.821 6.729 1.00 0.00 C ATOM 211 CE2 TYR A 13 -6.399 4.931 5.913 1.00 0.00 C ATOM 212 CZ TYR A 13 -6.448 6.162 6.488 1.00 0.00 C ATOM 213 OH TYR A 13 -5.278 6.762 6.838 1.00 0.00 O ATOM 0 H TYR A 13 -10.561 1.841 5.528 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.584 4.031 7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -9.946 3.489 4.638 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.798 4.998 4.898 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -9.790 6.687 6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.626 3.318 5.084 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.610 7.798 7.188 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -5.453 4.440 5.738 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.805 6.202 7.488 1.00 0.00 H new ATOM 223 N ALA A 14 -13.008 3.271 5.429 1.00 0.00 N ATOM 224 CA ALA A 14 -14.426 3.455 5.172 1.00 0.00 C ATOM 225 C ALA A 14 -15.230 2.900 6.349 1.00 0.00 C ATOM 226 O ALA A 14 -16.441 3.098 6.426 1.00 0.00 O ATOM 227 CB ALA A 14 -14.795 2.785 3.846 1.00 0.00 C ATOM 0 H ALA A 14 -12.545 2.607 4.809 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.665 4.514 5.080 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.859 2.923 3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.218 3.235 3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.571 1.720 3.902 1.00 0.00 H new ATOM 233 N ALA A 15 -14.523 2.216 7.237 1.00 0.00 N ATOM 234 CA ALA A 15 -15.156 1.632 8.407 1.00 0.00 C ATOM 235 C ALA A 15 -15.243 2.684 9.514 1.00 0.00 C ATOM 236 O ALA A 15 -16.041 2.552 10.441 1.00 0.00 O ATOM 237 CB ALA A 15 -14.376 0.390 8.843 1.00 0.00 C ATOM 0 H ALA A 15 -13.518 2.053 7.170 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.172 1.314 8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.851 -0.048 9.721 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -14.369 -0.339 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.351 0.671 9.087 1.00 0.00 H new ATOM 243 N LYS A 16 -14.410 3.706 9.382 1.00 0.00 N ATOM 244 CA LYS A 16 -14.382 4.781 10.359 1.00 0.00 C ATOM 245 C LYS A 16 -15.793 5.347 10.528 1.00 0.00 C ATOM 246 O LYS A 16 -16.402 5.200 11.587 1.00 0.00 O ATOM 247 CB LYS A 16 -13.340 5.832 9.971 1.00 0.00 C ATOM 248 CG LYS A 16 -12.009 5.571 10.679 1.00 0.00 C ATOM 249 CD LYS A 16 -11.130 4.621 9.863 1.00 0.00 C ATOM 250 CE LYS A 16 -10.154 3.865 10.766 1.00 0.00 C ATOM 251 NZ LYS A 16 -8.801 3.848 10.167 1.00 0.00 N ATOM 0 H LYS A 16 -13.749 3.812 8.613 1.00 0.00 H new ATOM 0 HA LYS A 16 -14.071 4.402 11.333 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.190 5.820 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -13.706 6.825 10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.485 6.514 10.834 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -12.195 5.144 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.758 3.911 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.575 5.186 9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.118 4.337 11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.505 2.844 10.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.108 3.548 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.783 3.183 9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.559 4.801 9.829 1.00 0.00 H new ATOM 265 N GLU A 17 -16.272 5.983 9.469 1.00 0.00 N ATOM 266 CA GLU A 17 -17.600 6.572 9.487 1.00 0.00 C ATOM 267 C GLU A 17 -18.465 5.964 8.380 1.00 0.00 C ATOM 268 O GLU A 17 -18.044 5.894 7.227 1.00 0.00 O ATOM 269 CB GLU A 17 -17.527 8.094 9.352 1.00 0.00 C ATOM 270 CG GLU A 17 -17.118 8.743 10.676 1.00 0.00 C ATOM 271 CD GLU A 17 -18.039 9.916 11.019 1.00 0.00 C ATOM 272 OE1 GLU A 17 -17.848 10.986 10.402 1.00 0.00 O ATOM 273 OE2 GLU A 17 -18.914 9.715 11.889 1.00 0.00 O ATOM 0 H GLU A 17 -15.764 6.103 8.593 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.063 6.348 10.448 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.810 8.360 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.496 8.482 9.037 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.154 8.002 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -16.087 9.092 10.611 1.00 0.00 H new ATOM 280 N GLY A 18 -19.658 5.541 8.771 1.00 0.00 N ATOM 281 CA GLY A 18 -20.586 4.942 7.827 1.00 0.00 C ATOM 282 C GLY A 18 -20.097 3.564 7.377 1.00 0.00 C ATOM 283 O GLY A 18 -19.035 3.108 7.801 1.00 0.00 O ATOM 0 H GLY A 18 -20.003 5.601 9.729 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -21.570 4.850 8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.699 5.593 6.960 1.00 0.00 H new ATOM 287 N ASP A 19 -20.893 2.938 6.523 1.00 0.00 N ATOM 288 CA ASP A 19 -20.555 1.621 6.011 1.00 0.00 C ATOM 289 C ASP A 19 -19.158 1.664 5.389 1.00 0.00 C ATOM 290 O ASP A 19 -18.775 2.663 4.782 1.00 0.00 O ATOM 291 CB ASP A 19 -21.541 1.181 4.928 1.00 0.00 C ATOM 292 CG ASP A 19 -21.736 -0.332 4.806 1.00 0.00 C ATOM 293 OD1 ASP A 19 -22.637 -0.846 5.504 1.00 0.00 O ATOM 294 OD2 ASP A 19 -20.980 -0.940 4.019 1.00 0.00 O ATOM 0 H ASP A 19 -21.772 3.319 6.172 1.00 0.00 H new ATOM 0 HA ASP A 19 -20.594 0.916 6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -22.508 1.642 5.130 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -21.198 1.566 3.968 1.00 0.00 H new ATOM 299 N PRO A 20 -18.415 0.539 5.566 1.00 0.00 N ATOM 300 CA PRO A 20 -17.068 0.439 5.028 1.00 0.00 C ATOM 301 C PRO A 20 -17.097 0.224 3.514 1.00 0.00 C ATOM 302 O PRO A 20 -16.049 0.152 2.874 1.00 0.00 O ATOM 303 CB PRO A 20 -16.429 -0.717 5.781 1.00 0.00 C ATOM 304 CG PRO A 20 -17.579 -1.515 6.373 1.00 0.00 C ATOM 305 CD PRO A 20 -18.835 -0.664 6.279 1.00 0.00 C ATOM 0 HA PRO A 20 -16.491 1.353 5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.829 -1.334 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -15.763 -0.353 6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.712 -2.452 5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.370 -1.773 7.411 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.628 -1.186 5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.225 -0.423 7.268 1.00 0.00 H new ATOM 313 N ASN A 21 -18.308 0.127 2.985 1.00 0.00 N ATOM 314 CA ASN A 21 -18.486 -0.079 1.558 1.00 0.00 C ATOM 315 C ASN A 21 -18.625 1.278 0.865 1.00 0.00 C ATOM 316 O ASN A 21 -18.110 1.473 -0.235 1.00 0.00 O ATOM 317 CB ASN A 21 -19.753 -0.887 1.272 1.00 0.00 C ATOM 318 CG ASN A 21 -19.522 -2.378 1.529 1.00 0.00 C ATOM 319 OD1 ASN A 21 -18.648 -3.005 0.953 1.00 0.00 O ATOM 320 ND2 ASN A 21 -20.353 -2.908 2.422 1.00 0.00 N ATOM 0 H ASN A 21 -19.175 0.187 3.519 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.619 -0.624 1.185 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -20.567 -0.528 1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -20.059 -0.736 0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -20.281 -3.897 2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -21.062 -2.326 2.867 1.00 0.00 H new ATOM 327 N GLN A 22 -19.323 2.181 1.537 1.00 0.00 N ATOM 328 CA GLN A 22 -19.536 3.514 1.000 1.00 0.00 C ATOM 329 C GLN A 22 -18.694 4.536 1.766 1.00 0.00 C ATOM 330 O GLN A 22 -18.833 4.675 2.980 1.00 0.00 O ATOM 331 CB GLN A 22 -21.019 3.889 1.035 1.00 0.00 C ATOM 332 CG GLN A 22 -21.724 3.229 2.221 1.00 0.00 C ATOM 333 CD GLN A 22 -23.128 3.805 2.415 1.00 0.00 C ATOM 334 OE1 GLN A 22 -23.795 4.212 1.478 1.00 0.00 O ATOM 335 NE2 GLN A 22 -23.537 3.818 3.681 1.00 0.00 N ATOM 0 H GLN A 22 -19.749 2.016 2.449 1.00 0.00 H new ATOM 0 HA GLN A 22 -19.218 3.519 -0.043 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -21.122 4.972 1.103 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -21.498 3.581 0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -21.788 2.153 2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -21.137 3.380 3.127 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -22.928 3.462 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -24.460 4.184 3.915 1.00 0.00 H new ATOM 344 N LEU A 23 -17.839 5.226 1.025 1.00 0.00 N ATOM 345 CA LEU A 23 -16.975 6.231 1.620 1.00 0.00 C ATOM 346 C LEU A 23 -17.709 7.573 1.654 1.00 0.00 C ATOM 347 O LEU A 23 -18.789 7.708 1.082 1.00 0.00 O ATOM 348 CB LEU A 23 -15.632 6.283 0.889 1.00 0.00 C ATOM 349 CG LEU A 23 -14.400 5.926 1.723 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.684 4.702 1.147 1.00 0.00 C ATOM 351 CD2 LEU A 23 -13.462 7.127 1.858 1.00 0.00 C ATOM 0 H LEU A 23 -17.726 5.109 0.018 1.00 0.00 H new ATOM 0 HA LEU A 23 -16.740 5.969 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.678 5.605 0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -15.497 7.288 0.490 1.00 0.00 H new ATOM 0 HG LEU A 23 -14.732 5.662 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -12.812 4.469 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -14.364 3.850 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -13.366 4.914 0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.595 6.846 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -13.134 7.445 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.989 7.947 2.346 1.00 0.00 H new ATOM 363 N SER A 24 -17.092 8.531 2.331 1.00 0.00 N ATOM 364 CA SER A 24 -17.674 9.858 2.447 1.00 0.00 C ATOM 365 C SER A 24 -16.571 10.918 2.404 1.00 0.00 C ATOM 366 O SER A 24 -15.388 10.592 2.489 1.00 0.00 O ATOM 367 CB SER A 24 -18.488 9.991 3.736 1.00 0.00 C ATOM 368 OG SER A 24 -19.778 9.398 3.616 1.00 0.00 O ATOM 0 H SER A 24 -16.196 8.415 2.804 1.00 0.00 H new ATOM 0 HA SER A 24 -18.349 10.011 1.605 1.00 0.00 H new ATOM 0 HB2 SER A 24 -17.947 9.520 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 24 -18.596 11.046 3.990 1.00 0.00 H new ATOM 0 HG SER A 24 -19.793 8.802 2.838 1.00 0.00 H new ATOM 374 N LYS A 25 -16.999 12.165 2.273 1.00 0.00 N ATOM 375 CA LYS A 25 -16.063 13.275 2.217 1.00 0.00 C ATOM 376 C LYS A 25 -15.183 13.257 3.469 1.00 0.00 C ATOM 377 O LYS A 25 -13.958 13.210 3.371 1.00 0.00 O ATOM 378 CB LYS A 25 -16.808 14.594 2.008 1.00 0.00 C ATOM 379 CG LYS A 25 -15.834 15.729 1.684 1.00 0.00 C ATOM 380 CD LYS A 25 -16.475 17.093 1.944 1.00 0.00 C ATOM 381 CE LYS A 25 -17.167 17.623 0.686 1.00 0.00 C ATOM 382 NZ LYS A 25 -18.625 17.743 0.907 1.00 0.00 N ATOM 0 H LYS A 25 -17.981 12.431 2.204 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.400 13.171 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.527 14.485 1.196 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.375 14.842 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.934 15.625 2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.525 15.661 0.641 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.200 17.010 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -15.713 17.801 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -16.753 18.595 0.418 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.974 16.953 -0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -19.078 18.104 0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -19.019 16.809 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -18.804 18.400 1.693 1.00 0.00 H new ATOM 396 N GLU A 26 -15.843 13.297 4.618 1.00 0.00 N ATOM 397 CA GLU A 26 -15.136 13.286 5.887 1.00 0.00 C ATOM 398 C GLU A 26 -14.241 12.049 5.986 1.00 0.00 C ATOM 399 O GLU A 26 -13.092 12.143 6.415 1.00 0.00 O ATOM 400 CB GLU A 26 -16.116 13.349 7.061 1.00 0.00 C ATOM 401 CG GLU A 26 -15.856 14.584 7.926 1.00 0.00 C ATOM 402 CD GLU A 26 -15.808 14.213 9.410 1.00 0.00 C ATOM 403 OE1 GLU A 26 -15.254 13.133 9.707 1.00 0.00 O ATOM 404 OE2 GLU A 26 -16.326 15.018 10.213 1.00 0.00 O ATOM 0 H GLU A 26 -16.859 13.337 4.696 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.504 14.172 5.936 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.139 13.373 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -16.020 12.449 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -14.914 15.046 7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -16.640 15.322 7.757 1.00 0.00 H new ATOM 411 N GLU A 27 -14.801 10.919 5.582 1.00 0.00 N ATOM 412 CA GLU A 27 -14.068 9.665 5.619 1.00 0.00 C ATOM 413 C GLU A 27 -12.836 9.743 4.716 1.00 0.00 C ATOM 414 O GLU A 27 -11.712 9.539 5.174 1.00 0.00 O ATOM 415 CB GLU A 27 -14.967 8.492 5.221 1.00 0.00 C ATOM 416 CG GLU A 27 -15.551 7.804 6.456 1.00 0.00 C ATOM 417 CD GLU A 27 -15.690 6.297 6.230 1.00 0.00 C ATOM 418 OE1 GLU A 27 -16.278 5.932 5.190 1.00 0.00 O ATOM 419 OE2 GLU A 27 -15.205 5.545 7.103 1.00 0.00 O ATOM 0 H GLU A 27 -15.754 10.845 5.227 1.00 0.00 H new ATOM 0 HA GLU A 27 -13.734 9.493 6.642 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -15.775 8.849 4.583 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.394 7.772 4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.909 7.988 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -16.526 8.232 6.688 1.00 0.00 H new ATOM 426 N LEU A 28 -13.088 10.039 3.449 1.00 0.00 N ATOM 427 CA LEU A 28 -12.013 10.147 2.478 1.00 0.00 C ATOM 428 C LEU A 28 -10.954 11.120 3.001 1.00 0.00 C ATOM 429 O LEU A 28 -9.758 10.845 2.917 1.00 0.00 O ATOM 430 CB LEU A 28 -12.569 10.524 1.103 1.00 0.00 C ATOM 431 CG LEU A 28 -11.705 10.137 -0.099 1.00 0.00 C ATOM 432 CD1 LEU A 28 -10.728 9.018 0.266 1.00 0.00 C ATOM 433 CD2 LEU A 28 -12.574 9.770 -1.303 1.00 0.00 C ATOM 0 H LEU A 28 -14.021 10.207 3.073 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.522 9.183 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -13.547 10.057 0.988 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.726 11.602 1.080 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.109 11.004 -0.385 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.126 8.762 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.075 9.353 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.286 8.140 0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.935 9.499 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.214 8.926 -1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.193 10.624 -1.578 1.00 0.00 H new ATOM 445 N LYS A 29 -11.432 12.237 3.529 1.00 0.00 N ATOM 446 CA LYS A 29 -10.542 13.252 4.066 1.00 0.00 C ATOM 447 C LYS A 29 -9.435 12.576 4.877 1.00 0.00 C ATOM 448 O LYS A 29 -8.251 12.782 4.612 1.00 0.00 O ATOM 449 CB LYS A 29 -11.334 14.295 4.857 1.00 0.00 C ATOM 450 CG LYS A 29 -10.410 15.386 5.404 1.00 0.00 C ATOM 451 CD LYS A 29 -11.217 16.566 5.949 1.00 0.00 C ATOM 452 CE LYS A 29 -10.953 16.768 7.442 1.00 0.00 C ATOM 453 NZ LYS A 29 -11.637 17.986 7.929 1.00 0.00 N ATOM 0 H LYS A 29 -12.425 12.462 3.596 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.057 13.799 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.093 14.744 4.216 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -11.858 13.811 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.783 14.974 6.195 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.742 15.731 4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.955 17.473 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.280 16.391 5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.303 15.900 8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.881 16.850 7.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.447 18.108 8.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.284 18.814 7.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.662 17.893 7.777 1.00 0.00 H new ATOM 467 N LEU A 30 -9.858 11.782 5.849 1.00 0.00 N ATOM 468 CA LEU A 30 -8.917 11.074 6.701 1.00 0.00 C ATOM 469 C LEU A 30 -7.933 10.293 5.827 1.00 0.00 C ATOM 470 O LEU A 30 -6.722 10.479 5.933 1.00 0.00 O ATOM 471 CB LEU A 30 -9.662 10.204 7.716 1.00 0.00 C ATOM 472 CG LEU A 30 -10.619 10.941 8.655 1.00 0.00 C ATOM 473 CD1 LEU A 30 -10.990 10.067 9.855 1.00 0.00 C ATOM 474 CD2 LEU A 30 -10.036 12.288 9.086 1.00 0.00 C ATOM 0 H LEU A 30 -10.840 11.613 6.066 1.00 0.00 H new ATOM 0 HA LEU A 30 -8.331 11.780 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.229 9.449 7.171 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.926 9.675 8.321 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.540 11.149 8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -11.671 10.614 10.507 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.476 9.156 9.505 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.088 9.807 10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -10.736 12.791 9.753 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.092 12.126 9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.864 12.908 8.206 1.00 0.00 H new ATOM 486 N LEU A 31 -8.490 9.436 4.985 1.00 0.00 N ATOM 487 CA LEU A 31 -7.677 8.627 4.093 1.00 0.00 C ATOM 488 C LEU A 31 -6.690 9.529 3.350 1.00 0.00 C ATOM 489 O LEU A 31 -5.479 9.413 3.533 1.00 0.00 O ATOM 490 CB LEU A 31 -8.565 7.792 3.167 1.00 0.00 C ATOM 491 CG LEU A 31 -7.918 6.545 2.563 1.00 0.00 C ATOM 492 CD1 LEU A 31 -8.856 5.340 2.658 1.00 0.00 C ATOM 493 CD2 LEU A 31 -7.462 6.805 1.125 1.00 0.00 C ATOM 0 H LEU A 31 -9.495 9.284 4.901 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.087 7.909 4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.449 7.484 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.908 8.430 2.352 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.028 6.307 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.372 4.467 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.088 5.141 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.778 5.553 2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.005 5.902 0.719 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.322 7.082 0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.734 7.616 1.115 1.00 0.00 H new ATOM 505 N LEU A 32 -7.244 10.407 2.528 1.00 0.00 N ATOM 506 CA LEU A 32 -6.427 11.329 1.756 1.00 0.00 C ATOM 507 C LEU A 32 -5.426 12.018 2.686 1.00 0.00 C ATOM 508 O LEU A 32 -4.402 12.527 2.234 1.00 0.00 O ATOM 509 CB LEU A 32 -7.311 12.302 0.974 1.00 0.00 C ATOM 510 CG LEU A 32 -8.327 11.669 0.022 1.00 0.00 C ATOM 511 CD1 LEU A 32 -9.280 12.724 -0.543 1.00 0.00 C ATOM 512 CD2 LEU A 32 -7.624 10.880 -1.084 1.00 0.00 C ATOM 0 H LEU A 32 -8.249 10.500 2.379 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.847 10.789 1.007 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.851 12.925 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.666 12.964 0.397 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.931 10.960 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.992 12.248 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.819 13.203 0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.709 13.474 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.369 10.440 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.980 11.549 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.021 10.088 -0.639 1.00 0.00 H new ATOM 524 N GLN A 33 -5.757 12.010 3.969 1.00 0.00 N ATOM 525 CA GLN A 33 -4.901 12.628 4.967 1.00 0.00 C ATOM 526 C GLN A 33 -3.614 11.818 5.136 1.00 0.00 C ATOM 527 O GLN A 33 -2.519 12.378 5.133 1.00 0.00 O ATOM 528 CB GLN A 33 -5.633 12.779 6.301 1.00 0.00 C ATOM 529 CG GLN A 33 -5.374 14.156 6.916 1.00 0.00 C ATOM 530 CD GLN A 33 -5.869 14.213 8.363 1.00 0.00 C ATOM 531 OE1 GLN A 33 -5.210 13.771 9.290 1.00 0.00 O ATOM 532 NE2 GLN A 33 -7.064 14.780 8.503 1.00 0.00 N ATOM 0 H GLN A 33 -6.607 11.585 4.340 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.636 13.627 4.622 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -6.703 12.640 6.150 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -5.304 12.001 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.307 14.378 6.884 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.877 14.922 6.326 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.562 15.129 7.684 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.482 14.866 9.429 1.00 0.00 H new ATOM 541 N THR A 34 -3.789 10.513 5.281 1.00 0.00 N ATOM 542 CA THR A 34 -2.656 9.620 5.452 1.00 0.00 C ATOM 543 C THR A 34 -2.325 8.920 4.132 1.00 0.00 C ATOM 544 O THR A 34 -1.185 8.962 3.672 1.00 0.00 O ATOM 545 CB THR A 34 -2.985 8.650 6.589 1.00 0.00 C ATOM 546 OG1 THR A 34 -2.270 9.170 7.706 1.00 0.00 O ATOM 547 CG2 THR A 34 -2.376 7.263 6.370 1.00 0.00 C ATOM 0 H THR A 34 -4.699 10.052 5.284 1.00 0.00 H new ATOM 0 HA THR A 34 -1.756 10.171 5.726 1.00 0.00 H new ATOM 0 HB THR A 34 -4.067 8.560 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.428 8.602 8.489 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.640 6.614 7.205 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.763 6.838 5.444 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.291 7.348 6.305 1.00 0.00 H new ATOM 555 N GLU A 35 -3.342 8.292 3.561 1.00 0.00 N ATOM 556 CA GLU A 35 -3.174 7.583 2.304 1.00 0.00 C ATOM 557 C GLU A 35 -2.399 8.448 1.307 1.00 0.00 C ATOM 558 O GLU A 35 -1.356 8.036 0.803 1.00 0.00 O ATOM 559 CB GLU A 35 -4.526 7.160 1.728 1.00 0.00 C ATOM 560 CG GLU A 35 -4.358 6.516 0.350 1.00 0.00 C ATOM 561 CD GLU A 35 -4.530 4.997 0.430 1.00 0.00 C ATOM 562 OE1 GLU A 35 -4.031 4.421 1.421 1.00 0.00 O ATOM 563 OE2 GLU A 35 -5.156 4.447 -0.501 1.00 0.00 O ATOM 0 H GLU A 35 -4.286 8.259 3.946 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.598 6.677 2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.010 6.456 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.180 8.029 1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.090 6.933 -0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.372 6.753 -0.049 1.00 0.00 H new ATOM 570 N PHE A 36 -2.940 9.630 1.053 1.00 0.00 N ATOM 571 CA PHE A 36 -2.313 10.556 0.125 1.00 0.00 C ATOM 572 C PHE A 36 -2.634 12.006 0.496 1.00 0.00 C ATOM 573 O PHE A 36 -3.614 12.571 0.013 1.00 0.00 O ATOM 574 CB PHE A 36 -2.887 10.258 -1.261 1.00 0.00 C ATOM 575 CG PHE A 36 -2.466 8.902 -1.830 1.00 0.00 C ATOM 576 CD1 PHE A 36 -1.147 8.592 -1.946 1.00 0.00 C ATOM 577 CD2 PHE A 36 -3.412 8.005 -2.220 1.00 0.00 C ATOM 578 CE1 PHE A 36 -0.756 7.333 -2.474 1.00 0.00 C ATOM 579 CE2 PHE A 36 -3.021 6.746 -2.749 1.00 0.00 C ATOM 580 CZ PHE A 36 -1.702 6.437 -2.864 1.00 0.00 C ATOM 0 H PHE A 36 -3.806 9.968 1.474 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.230 10.433 0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.975 10.296 -1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.573 11.043 -1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.396 9.304 -1.636 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.460 8.250 -2.127 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.292 7.087 -2.566 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.771 6.034 -3.060 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.405 5.479 -3.265 1.00 0.00 H new ATOM 590 N PRO A 37 -1.768 12.580 1.374 1.00 0.00 N ATOM 591 CA PRO A 37 -1.950 13.952 1.815 1.00 0.00 C ATOM 592 C PRO A 37 -1.547 14.939 0.718 1.00 0.00 C ATOM 593 O PRO A 37 -2.130 16.016 0.601 1.00 0.00 O ATOM 594 CB PRO A 37 -1.100 14.078 3.069 1.00 0.00 C ATOM 595 CG PRO A 37 -0.115 12.921 3.022 1.00 0.00 C ATOM 596 CD PRO A 37 -0.597 11.940 1.967 1.00 0.00 C ATOM 0 HA PRO A 37 -2.992 14.190 2.030 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.578 15.035 3.093 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.717 14.029 3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.885 13.281 2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.052 12.434 3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.173 11.753 1.219 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -0.853 10.977 2.409 1.00 0.00 H new ATOM 604 N SER A 38 -0.552 14.536 -0.059 1.00 0.00 N ATOM 605 CA SER A 38 -0.064 15.372 -1.143 1.00 0.00 C ATOM 606 C SER A 38 -1.206 15.697 -2.108 1.00 0.00 C ATOM 607 O SER A 38 -1.192 16.739 -2.762 1.00 0.00 O ATOM 608 CB SER A 38 1.084 14.689 -1.891 1.00 0.00 C ATOM 609 OG SER A 38 2.147 15.594 -2.177 1.00 0.00 O ATOM 0 H SER A 38 -0.071 13.642 0.040 1.00 0.00 H new ATOM 0 HA SER A 38 0.317 16.299 -0.715 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.464 13.860 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.709 14.265 -2.822 1.00 0.00 H new ATOM 0 HG SER A 38 2.861 15.120 -2.653 1.00 0.00 H new ATOM 615 N LEU A 39 -2.167 14.788 -2.165 1.00 0.00 N ATOM 616 CA LEU A 39 -3.314 14.965 -3.039 1.00 0.00 C ATOM 617 C LEU A 39 -4.175 16.117 -2.516 1.00 0.00 C ATOM 618 O LEU A 39 -4.958 16.701 -3.264 1.00 0.00 O ATOM 619 CB LEU A 39 -4.078 13.649 -3.195 1.00 0.00 C ATOM 620 CG LEU A 39 -4.181 13.097 -4.618 1.00 0.00 C ATOM 621 CD1 LEU A 39 -4.865 11.728 -4.628 1.00 0.00 C ATOM 622 CD2 LEU A 39 -4.882 14.094 -5.543 1.00 0.00 C ATOM 0 H LEU A 39 -2.175 13.926 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.989 15.239 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.598 12.897 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.087 13.790 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.171 12.955 -5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.925 11.359 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.288 11.028 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.870 11.820 -4.216 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.942 13.677 -6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.887 14.291 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.316 15.025 -5.570 1.00 0.00 H new ATOM 634 N LEU A 40 -4.000 16.410 -1.236 1.00 0.00 N ATOM 635 CA LEU A 40 -4.750 17.482 -0.604 1.00 0.00 C ATOM 636 C LEU A 40 -4.184 18.830 -1.055 1.00 0.00 C ATOM 637 O LEU A 40 -4.905 19.826 -1.101 1.00 0.00 O ATOM 638 CB LEU A 40 -4.769 17.300 0.915 1.00 0.00 C ATOM 639 CG LEU A 40 -5.409 16.009 1.428 1.00 0.00 C ATOM 640 CD1 LEU A 40 -5.168 15.836 2.929 1.00 0.00 C ATOM 641 CD2 LEU A 40 -6.898 15.958 1.078 1.00 0.00 C ATOM 0 H LEU A 40 -3.349 15.924 -0.619 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.793 17.453 -0.918 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.742 17.343 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.299 18.145 1.356 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.931 15.168 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.633 14.910 3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.096 15.795 3.123 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.602 16.679 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.329 15.030 1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.408 16.806 1.535 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.019 16.002 -0.004 1.00 0.00 H new ATOM 653 N LYS A 41 -2.899 18.818 -1.378 1.00 0.00 N ATOM 654 CA LYS A 41 -2.228 20.027 -1.824 1.00 0.00 C ATOM 655 C LYS A 41 -2.725 20.394 -3.223 1.00 0.00 C ATOM 656 O LYS A 41 -2.888 21.572 -3.539 1.00 0.00 O ATOM 657 CB LYS A 41 -0.710 19.862 -1.734 1.00 0.00 C ATOM 658 CG LYS A 41 -0.254 19.769 -0.276 1.00 0.00 C ATOM 659 CD LYS A 41 1.006 20.605 -0.042 1.00 0.00 C ATOM 660 CE LYS A 41 1.063 21.119 1.398 1.00 0.00 C ATOM 661 NZ LYS A 41 0.051 22.177 1.611 1.00 0.00 N ATOM 0 H LYS A 41 -2.305 17.990 -1.340 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.473 20.863 -1.169 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.406 18.964 -2.272 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.219 20.706 -2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.052 20.115 0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.058 18.728 -0.018 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.890 20.003 -0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.022 21.447 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.889 20.296 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.058 21.511 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.318 22.752 2.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.000 22.783 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.878 21.740 1.780 1.00 0.00 H new ATOM 675 N GLY A 42 -2.953 19.364 -4.025 1.00 0.00 N ATOM 676 CA GLY A 42 -3.428 19.563 -5.383 1.00 0.00 C ATOM 677 C GLY A 42 -4.475 20.678 -5.440 1.00 0.00 C ATOM 678 O GLY A 42 -5.030 21.066 -4.413 1.00 0.00 O ATOM 0 H GLY A 42 -2.817 18.389 -3.760 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.589 19.813 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.858 18.636 -5.761 1.00 0.00 H new ATOM 682 N MET A 43 -4.713 21.161 -6.650 1.00 0.00 N ATOM 683 CA MET A 43 -5.684 22.223 -6.855 1.00 0.00 C ATOM 684 C MET A 43 -7.110 21.708 -6.655 1.00 0.00 C ATOM 685 O MET A 43 -8.066 22.480 -6.711 1.00 0.00 O ATOM 686 CB MET A 43 -5.537 22.784 -8.271 1.00 0.00 C ATOM 687 CG MET A 43 -4.132 23.347 -8.494 1.00 0.00 C ATOM 688 SD MET A 43 -4.232 25.057 -8.997 1.00 0.00 S ATOM 689 CE MET A 43 -3.915 25.859 -7.435 1.00 0.00 C ATOM 0 H MET A 43 -4.250 20.837 -7.499 1.00 0.00 H new ATOM 0 HA MET A 43 -5.495 23.008 -6.123 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.738 21.999 -9.000 1.00 0.00 H new ATOM 0 HB3 MET A 43 -6.277 23.568 -8.434 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.548 23.263 -7.578 1.00 0.00 H new ATOM 0 HG3 MET A 43 -3.615 22.765 -9.257 1.00 0.00 H new ATOM 0 HE1 MET A 43 -3.941 26.940 -7.569 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.677 25.564 -6.714 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.933 25.563 -7.067 1.00 0.00 H new ATOM 699 N SER A 44 -7.209 20.407 -6.426 1.00 0.00 N ATOM 700 CA SER A 44 -8.503 19.780 -6.217 1.00 0.00 C ATOM 701 C SER A 44 -8.828 19.734 -4.723 1.00 0.00 C ATOM 702 O SER A 44 -8.363 18.846 -4.010 1.00 0.00 O ATOM 703 CB SER A 44 -8.534 18.370 -6.811 1.00 0.00 C ATOM 704 OG SER A 44 -8.592 18.391 -8.234 1.00 0.00 O ATOM 0 H SER A 44 -6.414 19.770 -6.381 1.00 0.00 H new ATOM 0 HA SER A 44 -9.258 20.377 -6.728 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.647 17.823 -6.492 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.398 17.831 -6.421 1.00 0.00 H new ATOM 0 HG SER A 44 -8.609 17.472 -8.574 1.00 0.00 H new ATOM 710 N THR A 45 -9.624 20.702 -4.293 1.00 0.00 N ATOM 711 CA THR A 45 -10.016 20.784 -2.896 1.00 0.00 C ATOM 712 C THR A 45 -10.846 19.560 -2.504 1.00 0.00 C ATOM 713 O THR A 45 -11.247 18.776 -3.362 1.00 0.00 O ATOM 714 CB THR A 45 -10.751 22.109 -2.688 1.00 0.00 C ATOM 715 OG1 THR A 45 -11.815 22.069 -3.636 1.00 0.00 O ATOM 716 CG2 THR A 45 -9.915 23.316 -3.118 1.00 0.00 C ATOM 0 H THR A 45 -10.008 21.436 -4.888 1.00 0.00 H new ATOM 0 HA THR A 45 -9.146 20.773 -2.239 1.00 0.00 H new ATOM 0 HB THR A 45 -11.023 22.211 -1.638 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.345 22.891 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.483 24.231 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 45 -8.995 23.348 -2.535 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.671 23.231 -4.177 1.00 0.00 H new ATOM 724 N LEU A 46 -11.080 19.435 -1.205 1.00 0.00 N ATOM 725 CA LEU A 46 -11.855 18.321 -0.688 1.00 0.00 C ATOM 726 C LEU A 46 -13.173 18.221 -1.459 1.00 0.00 C ATOM 727 O LEU A 46 -13.416 17.237 -2.156 1.00 0.00 O ATOM 728 CB LEU A 46 -12.036 18.450 0.826 1.00 0.00 C ATOM 729 CG LEU A 46 -12.124 17.137 1.606 1.00 0.00 C ATOM 730 CD1 LEU A 46 -11.079 16.134 1.110 1.00 0.00 C ATOM 731 CD2 LEU A 46 -12.012 17.385 3.111 1.00 0.00 C ATOM 0 H LEU A 46 -10.746 20.088 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.323 17.383 -0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.203 19.030 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.943 19.024 1.016 1.00 0.00 H new ATOM 0 HG LEU A 46 -13.104 16.697 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -11.163 15.209 1.681 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.248 15.925 0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.081 16.553 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -12.078 16.435 3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.055 17.859 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.823 18.038 3.434 1.00 0.00 H new ATOM 743 N ASP A 47 -13.990 19.252 -1.306 1.00 0.00 N ATOM 744 CA ASP A 47 -15.278 19.293 -1.979 1.00 0.00 C ATOM 745 C ASP A 47 -15.102 18.851 -3.433 1.00 0.00 C ATOM 746 O ASP A 47 -15.805 17.958 -3.903 1.00 0.00 O ATOM 747 CB ASP A 47 -15.853 20.711 -1.982 1.00 0.00 C ATOM 748 CG ASP A 47 -15.802 21.432 -0.633 1.00 0.00 C ATOM 749 OD1 ASP A 47 -16.062 20.753 0.384 1.00 0.00 O ATOM 750 OD2 ASP A 47 -15.504 22.646 -0.650 1.00 0.00 O ATOM 0 H ASP A 47 -13.786 20.066 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.959 18.629 -1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.309 21.306 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.890 20.666 -2.314 1.00 0.00 H new ATOM 755 N GLU A 48 -14.161 19.498 -4.105 1.00 0.00 N ATOM 756 CA GLU A 48 -13.885 19.183 -5.497 1.00 0.00 C ATOM 757 C GLU A 48 -13.586 17.691 -5.654 1.00 0.00 C ATOM 758 O GLU A 48 -14.097 17.044 -6.566 1.00 0.00 O ATOM 759 CB GLU A 48 -12.731 20.033 -6.033 1.00 0.00 C ATOM 760 CG GLU A 48 -13.230 21.047 -7.065 1.00 0.00 C ATOM 761 CD GLU A 48 -12.139 21.369 -8.088 1.00 0.00 C ATOM 762 OE1 GLU A 48 -11.453 20.412 -8.507 1.00 0.00 O ATOM 763 OE2 GLU A 48 -12.016 22.566 -8.428 1.00 0.00 O ATOM 0 H GLU A 48 -13.580 20.239 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 48 -14.771 19.420 -6.086 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.247 20.556 -5.209 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.979 19.387 -6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.107 20.650 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.542 21.961 -6.560 1.00 0.00 H new ATOM 770 N LEU A 49 -12.758 17.188 -4.750 1.00 0.00 N ATOM 771 CA LEU A 49 -12.384 15.784 -4.777 1.00 0.00 C ATOM 772 C LEU A 49 -13.633 14.924 -4.571 1.00 0.00 C ATOM 773 O LEU A 49 -13.847 13.952 -5.294 1.00 0.00 O ATOM 774 CB LEU A 49 -11.272 15.506 -3.763 1.00 0.00 C ATOM 775 CG LEU A 49 -10.139 14.597 -4.243 1.00 0.00 C ATOM 776 CD1 LEU A 49 -8.781 15.282 -4.078 1.00 0.00 C ATOM 777 CD2 LEU A 49 -10.187 13.241 -3.536 1.00 0.00 C ATOM 0 H LEU A 49 -12.336 17.728 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.970 15.519 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.841 16.459 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.720 15.058 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.278 14.409 -5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.992 14.615 -4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.764 16.201 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.618 15.518 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.371 12.614 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.085 13.388 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.139 12.754 -3.747 1.00 0.00 H new ATOM 789 N PHE A 50 -14.424 15.313 -3.582 1.00 0.00 N ATOM 790 CA PHE A 50 -15.646 14.590 -3.273 1.00 0.00 C ATOM 791 C PHE A 50 -16.558 14.505 -4.498 1.00 0.00 C ATOM 792 O PHE A 50 -16.997 13.420 -4.876 1.00 0.00 O ATOM 793 CB PHE A 50 -16.363 15.374 -2.172 1.00 0.00 C ATOM 794 CG PHE A 50 -17.591 14.663 -1.600 1.00 0.00 C ATOM 795 CD1 PHE A 50 -17.459 13.444 -1.013 1.00 0.00 C ATOM 796 CD2 PHE A 50 -18.815 15.251 -1.679 1.00 0.00 C ATOM 797 CE1 PHE A 50 -18.599 12.783 -0.483 1.00 0.00 C ATOM 798 CE2 PHE A 50 -19.955 14.591 -1.149 1.00 0.00 C ATOM 799 CZ PHE A 50 -19.823 13.371 -0.562 1.00 0.00 C ATOM 0 H PHE A 50 -14.243 16.119 -2.984 1.00 0.00 H new ATOM 0 HA PHE A 50 -15.408 13.574 -2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -15.660 15.570 -1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -16.669 16.342 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -16.487 12.978 -0.950 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -18.920 16.220 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -18.494 11.814 -0.018 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -20.927 15.058 -1.212 1.00 0.00 H new ATOM 0 HZ PHE A 50 -20.690 12.869 -0.159 1.00 0.00 H new ATOM 809 N GLU A 51 -16.816 15.664 -5.086 1.00 0.00 N ATOM 810 CA GLU A 51 -17.668 15.735 -6.261 1.00 0.00 C ATOM 811 C GLU A 51 -17.027 14.980 -7.427 1.00 0.00 C ATOM 812 O GLU A 51 -17.716 14.290 -8.178 1.00 0.00 O ATOM 813 CB GLU A 51 -17.958 17.188 -6.641 1.00 0.00 C ATOM 814 CG GLU A 51 -19.465 17.438 -6.740 1.00 0.00 C ATOM 815 CD GLU A 51 -19.813 18.182 -8.031 1.00 0.00 C ATOM 816 OE1 GLU A 51 -19.895 17.499 -9.075 1.00 0.00 O ATOM 817 OE2 GLU A 51 -19.989 19.417 -7.945 1.00 0.00 O ATOM 0 H GLU A 51 -16.450 16.562 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.620 15.259 -6.025 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -17.523 17.856 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -17.484 17.420 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -19.998 16.488 -6.709 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -19.798 18.019 -5.880 1.00 0.00 H new ATOM 824 N GLU A 52 -15.717 15.136 -7.542 1.00 0.00 N ATOM 825 CA GLU A 52 -14.975 14.477 -8.604 1.00 0.00 C ATOM 826 C GLU A 52 -15.056 12.958 -8.445 1.00 0.00 C ATOM 827 O GLU A 52 -15.454 12.253 -9.371 1.00 0.00 O ATOM 828 CB GLU A 52 -13.520 14.949 -8.631 1.00 0.00 C ATOM 829 CG GLU A 52 -12.797 14.426 -9.874 1.00 0.00 C ATOM 830 CD GLU A 52 -11.335 14.877 -9.888 1.00 0.00 C ATOM 831 OE1 GLU A 52 -11.110 16.081 -9.637 1.00 0.00 O ATOM 832 OE2 GLU A 52 -10.476 14.008 -10.149 1.00 0.00 O ATOM 0 H GLU A 52 -15.150 15.709 -6.917 1.00 0.00 H new ATOM 0 HA GLU A 52 -15.428 14.747 -9.558 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -13.487 16.038 -8.618 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.005 14.604 -7.734 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.846 13.337 -9.896 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.301 14.786 -10.771 1.00 0.00 H new ATOM 839 N LEU A 53 -14.672 12.498 -7.263 1.00 0.00 N ATOM 840 CA LEU A 53 -14.696 11.075 -6.970 1.00 0.00 C ATOM 841 C LEU A 53 -16.075 10.510 -7.314 1.00 0.00 C ATOM 842 O LEU A 53 -16.191 9.595 -8.128 1.00 0.00 O ATOM 843 CB LEU A 53 -14.270 10.818 -5.523 1.00 0.00 C ATOM 844 CG LEU A 53 -12.879 11.324 -5.133 1.00 0.00 C ATOM 845 CD1 LEU A 53 -12.851 11.780 -3.673 1.00 0.00 C ATOM 846 CD2 LEU A 53 -11.810 10.269 -5.426 1.00 0.00 C ATOM 0 H LEU A 53 -14.343 13.086 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.971 10.547 -7.590 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.002 11.282 -4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.309 9.744 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.648 12.195 -5.746 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -11.851 12.135 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -13.569 12.587 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -13.112 10.943 -3.025 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.831 10.654 -5.140 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.025 9.365 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.811 10.036 -6.491 1.00 0.00 H new ATOM 858 N ASP A 54 -17.088 11.080 -6.677 1.00 0.00 N ATOM 859 CA ASP A 54 -18.456 10.645 -6.905 1.00 0.00 C ATOM 860 C ASP A 54 -18.849 10.953 -8.352 1.00 0.00 C ATOM 861 O ASP A 54 -18.147 11.685 -9.048 1.00 0.00 O ATOM 862 CB ASP A 54 -19.429 11.383 -5.984 1.00 0.00 C ATOM 863 CG ASP A 54 -20.901 11.009 -6.167 1.00 0.00 C ATOM 864 OD1 ASP A 54 -21.235 9.847 -5.850 1.00 0.00 O ATOM 865 OD2 ASP A 54 -21.660 11.893 -6.619 1.00 0.00 O ATOM 0 H ASP A 54 -16.989 11.839 -6.003 1.00 0.00 H new ATOM 0 HA ASP A 54 -18.509 9.575 -6.702 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -19.146 11.188 -4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -19.319 12.455 -6.148 1.00 0.00 H new ATOM 870 N LYS A 55 -19.970 10.377 -8.762 1.00 0.00 N ATOM 871 CA LYS A 55 -20.465 10.580 -10.112 1.00 0.00 C ATOM 872 C LYS A 55 -21.826 9.897 -10.260 1.00 0.00 C ATOM 873 O LYS A 55 -22.728 10.434 -10.901 1.00 0.00 O ATOM 874 CB LYS A 55 -19.429 10.116 -11.138 1.00 0.00 C ATOM 875 CG LYS A 55 -19.827 10.545 -12.552 1.00 0.00 C ATOM 876 CD LYS A 55 -20.534 9.407 -13.291 1.00 0.00 C ATOM 877 CE LYS A 55 -22.024 9.707 -13.464 1.00 0.00 C ATOM 878 NZ LYS A 55 -22.459 9.398 -14.844 1.00 0.00 N ATOM 0 H LYS A 55 -20.549 9.770 -8.182 1.00 0.00 H new ATOM 0 HA LYS A 55 -20.618 11.642 -10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.453 10.533 -10.889 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -19.332 9.031 -11.097 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.483 11.414 -12.501 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.939 10.848 -13.107 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.073 9.261 -14.268 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.409 8.476 -12.738 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -22.604 9.118 -12.753 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -22.218 10.756 -13.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -23.473 9.608 -14.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.918 9.978 -15.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.292 8.391 -15.043 1.00 0.00 H new ATOM 892 N ASN A 56 -21.931 8.722 -9.657 1.00 0.00 N ATOM 893 CA ASN A 56 -23.167 7.960 -9.713 1.00 0.00 C ATOM 894 C ASN A 56 -24.289 8.767 -9.059 1.00 0.00 C ATOM 895 O ASN A 56 -25.466 8.447 -9.223 1.00 0.00 O ATOM 896 CB ASN A 56 -23.033 6.637 -8.956 1.00 0.00 C ATOM 897 CG ASN A 56 -22.346 6.845 -7.605 1.00 0.00 C ATOM 898 OD1 ASN A 56 -22.669 7.746 -6.848 1.00 0.00 O ATOM 899 ND2 ASN A 56 -21.384 5.965 -7.346 1.00 0.00 N ATOM 0 H ASN A 56 -21.180 8.279 -9.127 1.00 0.00 H new ATOM 0 HA ASN A 56 -23.390 7.756 -10.760 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -24.020 6.200 -8.803 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -22.460 5.928 -9.554 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -20.865 6.019 -6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -21.164 5.235 -8.024 1.00 0.00 H new ATOM 906 N GLY A 57 -23.887 9.799 -8.332 1.00 0.00 N ATOM 907 CA GLY A 57 -24.844 10.655 -7.652 1.00 0.00 C ATOM 908 C GLY A 57 -25.555 9.898 -6.528 1.00 0.00 C ATOM 909 O GLY A 57 -26.764 9.682 -6.589 1.00 0.00 O ATOM 0 H GLY A 57 -22.910 10.062 -8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -24.332 11.525 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -25.578 11.025 -8.367 1.00 0.00 H new ATOM 913 N ASP A 58 -24.773 9.516 -5.529 1.00 0.00 N ATOM 914 CA ASP A 58 -25.313 8.788 -4.393 1.00 0.00 C ATOM 915 C ASP A 58 -24.788 9.411 -3.098 1.00 0.00 C ATOM 916 O ASP A 58 -25.569 9.777 -2.221 1.00 0.00 O ATOM 917 CB ASP A 58 -24.878 7.322 -4.422 1.00 0.00 C ATOM 918 CG ASP A 58 -24.908 6.665 -5.803 1.00 0.00 C ATOM 919 OD1 ASP A 58 -25.750 7.098 -6.619 1.00 0.00 O ATOM 920 OD2 ASP A 58 -24.089 5.744 -6.012 1.00 0.00 O ATOM 0 H ASP A 58 -23.770 9.697 -5.483 1.00 0.00 H new ATOM 0 HA ASP A 58 -26.400 8.843 -4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.865 7.251 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -25.524 6.754 -3.752 1.00 0.00 H new ATOM 925 N GLY A 59 -23.470 9.513 -3.019 1.00 0.00 N ATOM 926 CA GLY A 59 -22.832 10.085 -1.846 1.00 0.00 C ATOM 927 C GLY A 59 -21.784 9.131 -1.270 1.00 0.00 C ATOM 928 O GLY A 59 -21.144 9.438 -0.265 1.00 0.00 O ATOM 0 H GLY A 59 -22.826 9.209 -3.749 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.361 11.032 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.585 10.304 -1.089 1.00 0.00 H new ATOM 932 N GLU A 60 -21.640 7.993 -1.933 1.00 0.00 N ATOM 933 CA GLU A 60 -20.680 6.991 -1.500 1.00 0.00 C ATOM 934 C GLU A 60 -19.500 6.932 -2.473 1.00 0.00 C ATOM 935 O GLU A 60 -19.689 6.737 -3.672 1.00 0.00 O ATOM 936 CB GLU A 60 -21.344 5.620 -1.359 1.00 0.00 C ATOM 937 CG GLU A 60 -22.065 5.225 -2.649 1.00 0.00 C ATOM 938 CD GLU A 60 -22.645 3.813 -2.543 1.00 0.00 C ATOM 939 OE1 GLU A 60 -21.923 2.942 -2.010 1.00 0.00 O ATOM 940 OE2 GLU A 60 -23.796 3.636 -2.997 1.00 0.00 O ATOM 0 H GLU A 60 -22.172 7.742 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 60 -20.303 7.277 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -20.591 4.871 -1.115 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -22.054 5.639 -0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -22.865 5.936 -2.855 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -21.371 5.275 -3.488 1.00 0.00 H new ATOM 947 N VAL A 61 -18.309 7.103 -1.919 1.00 0.00 N ATOM 948 CA VAL A 61 -17.098 7.071 -2.722 1.00 0.00 C ATOM 949 C VAL A 61 -16.445 5.693 -2.598 1.00 0.00 C ATOM 950 O VAL A 61 -15.300 5.582 -2.163 1.00 0.00 O ATOM 951 CB VAL A 61 -16.167 8.214 -2.311 1.00 0.00 C ATOM 952 CG1 VAL A 61 -14.805 8.083 -2.995 1.00 0.00 C ATOM 953 CG2 VAL A 61 -16.802 9.573 -2.609 1.00 0.00 C ATOM 0 H VAL A 61 -18.156 7.264 -0.923 1.00 0.00 H new ATOM 0 HA VAL A 61 -17.334 7.225 -3.775 1.00 0.00 H new ATOM 0 HB VAL A 61 -16.010 8.148 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -14.162 8.907 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -14.344 7.137 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -14.937 8.111 -4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -16.119 10.368 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -17.004 9.654 -3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -17.736 9.667 -2.055 1.00 0.00 H new ATOM 963 N SER A 62 -17.202 4.678 -2.988 1.00 0.00 N ATOM 964 CA SER A 62 -16.711 3.312 -2.926 1.00 0.00 C ATOM 965 C SER A 62 -15.372 3.203 -3.659 1.00 0.00 C ATOM 966 O SER A 62 -14.987 4.111 -4.394 1.00 0.00 O ATOM 967 CB SER A 62 -17.724 2.334 -3.524 1.00 0.00 C ATOM 968 OG SER A 62 -18.960 2.972 -3.837 1.00 0.00 O ATOM 0 H SER A 62 -18.151 4.774 -3.348 1.00 0.00 H new ATOM 0 HA SER A 62 -16.567 3.048 -1.878 1.00 0.00 H new ATOM 0 HB2 SER A 62 -17.308 1.887 -4.427 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.903 1.522 -2.820 1.00 0.00 H new ATOM 0 HG SER A 62 -19.061 3.031 -4.810 1.00 0.00 H new ATOM 974 N PHE A 63 -14.699 2.084 -3.433 1.00 0.00 N ATOM 975 CA PHE A 63 -13.412 1.845 -4.063 1.00 0.00 C ATOM 976 C PHE A 63 -13.481 2.109 -5.568 1.00 0.00 C ATOM 977 O PHE A 63 -12.498 2.536 -6.173 1.00 0.00 O ATOM 978 CB PHE A 63 -13.067 0.372 -3.831 1.00 0.00 C ATOM 979 CG PHE A 63 -11.633 0.002 -4.212 1.00 0.00 C ATOM 980 CD1 PHE A 63 -10.587 0.678 -3.666 1.00 0.00 C ATOM 981 CD2 PHE A 63 -11.403 -1.005 -5.098 1.00 0.00 C ATOM 982 CE1 PHE A 63 -9.256 0.334 -4.020 1.00 0.00 C ATOM 983 CE2 PHE A 63 -10.072 -1.349 -5.452 1.00 0.00 C ATOM 984 CZ PHE A 63 -9.026 -0.672 -4.906 1.00 0.00 C ATOM 0 H PHE A 63 -15.021 1.333 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 63 -12.661 2.511 -3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -13.226 0.133 -2.779 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -13.756 -0.247 -4.406 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -10.769 1.477 -2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -12.233 -1.543 -5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.426 0.871 -3.586 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.890 -2.148 -6.155 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.013 -0.933 -5.176 1.00 0.00 H new ATOM 994 N GLU A 64 -14.651 1.843 -6.131 1.00 0.00 N ATOM 995 CA GLU A 64 -14.860 2.047 -7.554 1.00 0.00 C ATOM 996 C GLU A 64 -14.417 3.454 -7.960 1.00 0.00 C ATOM 997 O GLU A 64 -13.584 3.614 -8.851 1.00 0.00 O ATOM 998 CB GLU A 64 -16.322 1.801 -7.933 1.00 0.00 C ATOM 999 CG GLU A 64 -17.263 2.272 -6.823 1.00 0.00 C ATOM 1000 CD GLU A 64 -18.382 3.150 -7.388 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -18.160 3.721 -8.477 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -19.434 3.230 -6.717 1.00 0.00 O ATOM 0 H GLU A 64 -15.464 1.488 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.251 1.325 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.555 2.327 -8.859 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.479 0.739 -8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -17.694 1.409 -6.316 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.699 2.831 -6.076 1.00 0.00 H new ATOM 1009 N GLU A 65 -14.995 4.439 -7.287 1.00 0.00 N ATOM 1010 CA GLU A 65 -14.670 5.827 -7.566 1.00 0.00 C ATOM 1011 C GLU A 65 -13.217 6.119 -7.185 1.00 0.00 C ATOM 1012 O GLU A 65 -12.552 6.927 -7.833 1.00 0.00 O ATOM 1013 CB GLU A 65 -15.628 6.772 -6.838 1.00 0.00 C ATOM 1014 CG GLU A 65 -17.083 6.455 -7.190 1.00 0.00 C ATOM 1015 CD GLU A 65 -17.598 7.391 -8.285 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -16.846 7.586 -9.264 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -18.732 7.889 -8.119 1.00 0.00 O ATOM 0 H GLU A 65 -15.686 4.303 -6.549 1.00 0.00 H new ATOM 0 HA GLU A 65 -14.786 5.999 -8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -15.483 6.684 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -15.401 7.804 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.163 5.420 -7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -17.706 6.552 -6.301 1.00 0.00 H new ATOM 1024 N PHE A 66 -12.767 5.447 -6.136 1.00 0.00 N ATOM 1025 CA PHE A 66 -11.405 5.624 -5.662 1.00 0.00 C ATOM 1026 C PHE A 66 -10.393 5.279 -6.757 1.00 0.00 C ATOM 1027 O PHE A 66 -9.325 5.883 -6.832 1.00 0.00 O ATOM 1028 CB PHE A 66 -11.213 4.665 -4.486 1.00 0.00 C ATOM 1029 CG PHE A 66 -9.971 4.958 -3.640 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -9.842 6.158 -3.015 1.00 0.00 C ATOM 1031 CD2 PHE A 66 -8.997 4.017 -3.514 1.00 0.00 C ATOM 1032 CE1 PHE A 66 -8.690 6.430 -2.231 1.00 0.00 C ATOM 1033 CE2 PHE A 66 -7.845 4.289 -2.730 1.00 0.00 C ATOM 1034 CZ PHE A 66 -7.716 5.489 -2.105 1.00 0.00 C ATOM 0 H PHE A 66 -13.321 4.779 -5.601 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.244 6.662 -5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -12.094 4.710 -3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -11.148 3.646 -4.868 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.616 6.905 -3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.100 3.063 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.587 7.384 -1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.071 3.542 -2.630 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.840 5.695 -1.508 1.00 0.00 H new ATOM 1044 N GLN A 67 -10.767 4.309 -7.578 1.00 0.00 N ATOM 1045 CA GLN A 67 -9.906 3.877 -8.666 1.00 0.00 C ATOM 1046 C GLN A 67 -9.634 5.040 -9.622 1.00 0.00 C ATOM 1047 O GLN A 67 -8.657 5.018 -10.370 1.00 0.00 O ATOM 1048 CB GLN A 67 -10.516 2.687 -9.409 1.00 0.00 C ATOM 1049 CG GLN A 67 -11.074 1.655 -8.427 1.00 0.00 C ATOM 1050 CD GLN A 67 -10.932 0.237 -8.982 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -11.902 -0.460 -9.233 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -9.673 -0.151 -9.160 1.00 0.00 N ATOM 0 H GLN A 67 -11.654 3.810 -7.512 1.00 0.00 H new ATOM 0 HA GLN A 67 -8.956 3.550 -8.243 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.312 3.034 -10.068 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.759 2.221 -10.041 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.548 1.731 -7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -12.124 1.868 -8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.907 0.482 -8.930 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.473 -1.081 -9.527 1.00 0.00 H new ATOM 1061 N VAL A 68 -10.515 6.027 -9.568 1.00 0.00 N ATOM 1062 CA VAL A 68 -10.383 7.196 -10.420 1.00 0.00 C ATOM 1063 C VAL A 68 -9.263 8.090 -9.883 1.00 0.00 C ATOM 1064 O VAL A 68 -8.544 8.722 -10.655 1.00 0.00 O ATOM 1065 CB VAL A 68 -11.726 7.921 -10.527 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -11.608 9.167 -11.407 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -12.815 6.982 -11.050 1.00 0.00 C ATOM 0 H VAL A 68 -11.324 6.041 -8.947 1.00 0.00 H new ATOM 0 HA VAL A 68 -10.107 6.901 -11.432 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.013 8.244 -9.526 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.577 9.664 -11.466 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.876 9.850 -10.975 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.287 8.877 -12.407 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -13.760 7.522 -11.117 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -12.536 6.616 -12.038 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.926 6.139 -10.368 1.00 0.00 H new ATOM 1077 N LEU A 69 -9.151 8.114 -8.563 1.00 0.00 N ATOM 1078 CA LEU A 69 -8.131 8.919 -7.913 1.00 0.00 C ATOM 1079 C LEU A 69 -6.781 8.207 -8.020 1.00 0.00 C ATOM 1080 O LEU A 69 -5.734 8.853 -8.027 1.00 0.00 O ATOM 1081 CB LEU A 69 -8.542 9.247 -6.476 1.00 0.00 C ATOM 1082 CG LEU A 69 -7.871 10.470 -5.849 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -8.324 11.758 -6.539 1.00 0.00 C ATOM 1084 CD2 LEU A 69 -8.111 10.514 -4.339 1.00 0.00 C ATOM 0 H LEU A 69 -9.750 7.589 -7.926 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.026 9.880 -8.416 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.621 9.398 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.328 8.380 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.795 10.384 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.832 12.612 -6.074 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.059 11.717 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.404 11.863 -6.440 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.623 11.393 -3.919 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.182 10.564 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.699 9.616 -3.879 1.00 0.00 H new ATOM 1096 N VAL A 70 -6.849 6.887 -8.099 1.00 0.00 N ATOM 1097 CA VAL A 70 -5.645 6.080 -8.205 1.00 0.00 C ATOM 1098 C VAL A 70 -4.765 6.630 -9.330 1.00 0.00 C ATOM 1099 O VAL A 70 -3.542 6.505 -9.285 1.00 0.00 O ATOM 1100 CB VAL A 70 -6.016 4.609 -8.401 1.00 0.00 C ATOM 1101 CG1 VAL A 70 -4.930 3.870 -9.186 1.00 0.00 C ATOM 1102 CG2 VAL A 70 -6.282 3.927 -7.058 1.00 0.00 C ATOM 0 H VAL A 70 -7.719 6.355 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.066 6.135 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.936 4.570 -8.984 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -5.218 2.826 -9.312 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.810 4.334 -10.165 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.987 3.923 -8.641 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.544 2.882 -7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.387 3.982 -6.438 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.105 4.430 -6.551 1.00 0.00 H new ATOM 1112 N LYS A 71 -5.422 7.228 -10.313 1.00 0.00 N ATOM 1113 CA LYS A 71 -4.715 7.797 -11.448 1.00 0.00 C ATOM 1114 C LYS A 71 -3.967 9.053 -10.999 1.00 0.00 C ATOM 1115 O LYS A 71 -2.797 9.236 -11.333 1.00 0.00 O ATOM 1116 CB LYS A 71 -5.678 8.038 -12.613 1.00 0.00 C ATOM 1117 CG LYS A 71 -5.023 7.678 -13.948 1.00 0.00 C ATOM 1118 CD LYS A 71 -5.466 8.640 -15.053 1.00 0.00 C ATOM 1119 CE LYS A 71 -4.268 9.126 -15.870 1.00 0.00 C ATOM 1120 NZ LYS A 71 -3.795 8.059 -16.781 1.00 0.00 N ATOM 0 H LYS A 71 -6.436 7.331 -10.347 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.968 7.097 -11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.580 7.442 -12.474 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.986 9.084 -12.625 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.938 7.711 -13.846 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.286 6.657 -14.223 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.180 8.142 -15.709 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.980 9.494 -14.612 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.547 10.008 -16.447 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.461 9.425 -15.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.981 8.405 -17.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.509 7.228 -16.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.562 7.793 -17.431 1.00 0.00 H new ATOM 1134 N LYS A 72 -4.672 9.887 -10.249 1.00 0.00 N ATOM 1135 CA LYS A 72 -4.089 11.121 -9.750 1.00 0.00 C ATOM 1136 C LYS A 72 -3.144 10.801 -8.590 1.00 0.00 C ATOM 1137 O LYS A 72 -2.374 11.658 -8.158 1.00 0.00 O ATOM 1138 CB LYS A 72 -5.186 12.125 -9.391 1.00 0.00 C ATOM 1139 CG LYS A 72 -5.950 12.573 -10.638 1.00 0.00 C ATOM 1140 CD LYS A 72 -5.076 13.460 -11.528 1.00 0.00 C ATOM 1141 CE LYS A 72 -5.914 14.535 -12.223 1.00 0.00 C ATOM 1142 NZ LYS A 72 -6.506 14.003 -13.471 1.00 0.00 N ATOM 0 H LYS A 72 -5.642 9.732 -9.975 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.491 11.601 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.877 11.674 -8.679 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.744 12.992 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.279 11.699 -11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.846 13.119 -10.343 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.299 13.932 -10.926 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.572 12.847 -12.275 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.705 14.877 -11.555 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.291 15.401 -12.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.072 14.745 -13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.747 13.699 -14.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.116 13.191 -13.247 1.00 0.00 H new ATOM 1156 N ILE A 73 -3.233 9.566 -8.119 1.00 0.00 N ATOM 1157 CA ILE A 73 -2.395 9.123 -7.018 1.00 0.00 C ATOM 1158 C ILE A 73 -0.970 8.895 -7.526 1.00 0.00 C ATOM 1159 O ILE A 73 -0.010 9.386 -6.934 1.00 0.00 O ATOM 1160 CB ILE A 73 -3.008 7.897 -6.338 1.00 0.00 C ATOM 1161 CG1 ILE A 73 -4.121 8.306 -5.371 1.00 0.00 C ATOM 1162 CG2 ILE A 73 -1.932 7.056 -5.650 1.00 0.00 C ATOM 1163 CD1 ILE A 73 -5.006 7.110 -5.016 1.00 0.00 C ATOM 0 H ILE A 73 -3.873 8.858 -8.480 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.340 9.893 -6.248 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.462 7.272 -7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.684 8.722 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.728 9.091 -5.821 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.395 6.191 -5.175 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.206 6.718 -6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.427 7.658 -4.895 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.789 7.428 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.460 6.712 -5.923 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.400 6.336 -4.544 1.00 0.00 H new ATOM 1175 N SER A 74 -0.877 8.151 -8.618 1.00 0.00 N ATOM 1176 CA SER A 74 0.414 7.852 -9.213 1.00 0.00 C ATOM 1177 C SER A 74 0.943 9.079 -9.960 1.00 0.00 C ATOM 1178 O SER A 74 2.133 9.381 -9.900 1.00 0.00 O ATOM 1179 CB SER A 74 0.321 6.654 -10.160 1.00 0.00 C ATOM 1180 OG SER A 74 1.578 6.345 -10.755 1.00 0.00 O ATOM 0 H SER A 74 -1.676 7.746 -9.107 1.00 0.00 H new ATOM 0 HA SER A 74 1.107 7.594 -8.412 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.044 5.786 -9.611 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.408 6.866 -10.942 1.00 0.00 H new ATOM 0 HG SER A 74 1.477 5.574 -11.351 1.00 0.00 H new ATOM 1186 N GLN A 75 0.031 9.752 -10.647 1.00 0.00 N ATOM 1187 CA GLN A 75 0.390 10.938 -11.404 1.00 0.00 C ATOM 1188 C GLN A 75 0.597 12.127 -10.463 1.00 0.00 C ATOM 1189 O GLN A 75 1.632 12.231 -9.808 1.00 0.00 O ATOM 1190 CB GLN A 75 -0.668 11.254 -12.463 1.00 0.00 C ATOM 1191 CG GLN A 75 -0.016 11.644 -13.791 1.00 0.00 C ATOM 1192 CD GLN A 75 0.953 10.560 -14.266 1.00 0.00 C ATOM 1193 OE1 GLN A 75 2.137 10.787 -14.453 1.00 0.00 O ATOM 1194 NE2 GLN A 75 0.386 9.371 -14.450 1.00 0.00 N ATOM 0 H GLN A 75 -0.956 9.498 -10.695 1.00 0.00 H new ATOM 0 HA GLN A 75 1.329 10.743 -11.923 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.311 10.386 -12.610 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.305 12.067 -12.114 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.787 11.804 -14.545 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.517 12.588 -13.675 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -0.611 9.249 -14.275 1.00 0.00 H new ATOM 0 HE22 GLN A 75 0.949 8.581 -14.766 1.00 0.00 H new TER 1203 GLN A 75 HETATM 1204 LA LA A 105 -20.875 6.796 -5.676 1.00 0.00 LA