USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 378 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 Single : A2034 THR OG1 : rot 180:sc= 0 USER MOD Single : A2040 ASN : amide:sc= -0.173 K(o=-0.17,f=-11!) USER MOD Single : A2041 LYS NZ :NH3+ 171:sc=-0.00153 (180deg=-0.0854) USER MOD Single : A2045 THR OG1 : rot 91:sc= 1.16 USER MOD Single : A2060 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2063 GLN : amide:sc= -1.03 K(o=-1,f=-5.6!) USER MOD Single : A2065 HIS : no HE2:sc= 1.13 K(o=1.1,f=-3.4!) USER MOD Single : A2077 TYR OH : rot 180:sc= 0 USER MOD Single : A2078 MET CE :methyl 167:sc= -0.0604 (180deg=-0.351) USER MOD ----------------------------------------------------------------- ATOM 60 N LEU A2032 7.495 -6.932 -3.375 1.00 0.00 N ATOM 61 CA LEU A2032 8.393 -5.762 -3.454 1.00 0.00 C ATOM 62 C LEU A2032 8.096 -4.843 -4.641 1.00 0.00 C ATOM 63 O LEU A2032 8.063 -3.632 -4.496 1.00 0.00 O ATOM 64 CB LEU A2032 9.881 -6.149 -3.393 1.00 0.00 C ATOM 65 CG LEU A2032 10.340 -6.836 -2.102 1.00 0.00 C ATOM 66 CD1 LEU A2032 11.807 -7.201 -2.194 1.00 0.00 C ATOM 67 CD2 LEU A2032 10.089 -5.944 -0.889 1.00 0.00 C ATOM 0 HA LEU A2032 8.176 -5.180 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A2032 10.099 -6.810 -4.231 1.00 0.00 H new ATOM 0 HB3 LEU A2032 10.477 -5.248 -3.534 1.00 0.00 H new ATOM 0 HG LEU A2032 9.758 -7.749 -1.977 1.00 0.00 H new ATOM 0 HD11 LEU A2032 12.119 -7.688 -1.270 1.00 0.00 H new ATOM 0 HD12 LEU A2032 11.961 -7.880 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A2032 12.398 -6.298 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A2032 10.424 -6.455 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A2032 10.640 -5.011 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A2032 9.023 -5.728 -0.810 1.00 0.00 H new ATOM 79 N GLU A2033 7.867 -5.395 -5.799 1.00 0.00 N ATOM 80 CA GLU A2033 7.529 -4.576 -6.930 1.00 0.00 C ATOM 81 C GLU A2033 6.029 -4.408 -7.073 1.00 0.00 C ATOM 82 O GLU A2033 5.542 -3.823 -8.036 1.00 0.00 O ATOM 83 CB GLU A2033 8.213 -5.025 -8.213 1.00 0.00 C ATOM 84 CG GLU A2033 9.718 -4.880 -8.116 1.00 0.00 C ATOM 85 CD GLU A2033 10.412 -4.944 -9.436 1.00 0.00 C ATOM 86 OE1 GLU A2033 10.228 -4.004 -10.265 1.00 0.00 O ATOM 87 OE2 GLU A2033 11.216 -5.857 -9.642 1.00 0.00 O ATOM 0 H GLU A2033 7.907 -6.397 -5.985 1.00 0.00 H new ATOM 0 HA GLU A2033 7.930 -3.582 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A2033 7.958 -6.065 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A2033 7.842 -4.435 -9.051 1.00 0.00 H new ATOM 0 HG2 GLU A2033 9.953 -3.929 -7.638 1.00 0.00 H new ATOM 0 HG3 GLU A2033 10.109 -5.667 -7.471 1.00 0.00 H new ATOM 94 N THR A2034 5.317 -4.900 -6.083 1.00 0.00 N ATOM 95 CA THR A2034 3.897 -4.723 -5.969 1.00 0.00 C ATOM 96 C THR A2034 3.621 -3.229 -5.722 1.00 0.00 C ATOM 97 O THR A2034 4.263 -2.614 -4.857 1.00 0.00 O ATOM 98 CB THR A2034 3.401 -5.525 -4.756 1.00 0.00 C ATOM 99 OG1 THR A2034 3.906 -6.867 -4.838 1.00 0.00 O ATOM 100 CG2 THR A2034 1.877 -5.548 -4.678 1.00 0.00 C ATOM 0 H THR A2034 5.723 -5.445 -5.322 1.00 0.00 H new ATOM 0 HA THR A2034 3.391 -5.061 -6.873 1.00 0.00 H new ATOM 0 HB THR A2034 3.769 -5.039 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A2034 3.593 -7.382 -4.065 1.00 0.00 H new ATOM 0 HG21 THR A2034 1.566 -6.125 -3.807 1.00 0.00 H new ATOM 0 HG22 THR A2034 1.502 -4.528 -4.591 1.00 0.00 H new ATOM 0 HG23 THR A2034 1.473 -6.007 -5.580 1.00 0.00 H new ATOM 108 N ARG A2035 2.731 -2.652 -6.482 1.00 0.00 N ATOM 109 CA ARG A2035 2.391 -1.262 -6.326 1.00 0.00 C ATOM 110 C ARG A2035 1.351 -1.095 -5.239 1.00 0.00 C ATOM 111 O ARG A2035 0.173 -1.427 -5.433 1.00 0.00 O ATOM 112 CB ARG A2035 1.898 -0.656 -7.638 1.00 0.00 C ATOM 113 CG ARG A2035 2.932 -0.664 -8.755 1.00 0.00 C ATOM 114 CD ARG A2035 2.415 0.117 -9.936 1.00 0.00 C ATOM 115 NE ARG A2035 3.344 0.167 -11.073 1.00 0.00 N ATOM 116 CZ ARG A2035 3.831 1.298 -11.610 1.00 0.00 C ATOM 117 NH1 ARG A2035 3.690 2.463 -10.970 1.00 0.00 N ATOM 118 NH2 ARG A2035 4.508 1.259 -12.759 1.00 0.00 N ATOM 0 H ARG A2035 2.221 -3.130 -7.225 1.00 0.00 H new ATOM 0 HA ARG A2035 3.295 -0.727 -6.035 1.00 0.00 H new ATOM 0 HB2 ARG A2035 1.016 -1.204 -7.970 1.00 0.00 H new ATOM 0 HB3 ARG A2035 1.584 0.372 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A2035 3.867 -0.229 -8.401 1.00 0.00 H new ATOM 0 HG3 ARG A2035 3.151 -1.689 -9.053 1.00 0.00 H new ATOM 0 HD2 ARG A2035 1.475 -0.325 -10.267 1.00 0.00 H new ATOM 0 HD3 ARG A2035 2.193 1.135 -9.616 1.00 0.00 H new ATOM 0 HE ARG A2035 3.640 -0.719 -11.483 1.00 0.00 H new ATOM 0 HH11 ARG A2035 3.211 2.496 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A2035 4.061 3.319 -11.382 1.00 0.00 H new ATOM 0 HH21 ARG A2035 4.657 0.368 -13.233 1.00 0.00 H new ATOM 0 HH22 ARG A2035 4.876 2.120 -13.163 1.00 0.00 H new ATOM 132 N ILE A2036 1.795 -0.659 -4.085 1.00 0.00 N ATOM 133 CA ILE A2036 0.915 -0.441 -2.954 1.00 0.00 C ATOM 134 C ILE A2036 0.073 0.819 -3.166 1.00 0.00 C ATOM 135 O ILE A2036 0.618 1.876 -3.490 1.00 0.00 O ATOM 136 CB ILE A2036 1.721 -0.298 -1.634 1.00 0.00 C ATOM 137 CG1 ILE A2036 2.548 -1.553 -1.356 1.00 0.00 C ATOM 138 CG2 ILE A2036 0.816 0.020 -0.445 1.00 0.00 C ATOM 139 CD1 ILE A2036 1.741 -2.839 -1.271 1.00 0.00 C ATOM 0 H ILE A2036 2.775 -0.444 -3.900 1.00 0.00 H new ATOM 0 HA ILE A2036 0.261 -1.310 -2.876 1.00 0.00 H new ATOM 0 HB ILE A2036 2.401 0.543 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A2036 3.296 -1.660 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A2036 3.088 -1.416 -0.419 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.420 0.112 0.458 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.292 0.958 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A2036 0.090 -0.782 -0.316 1.00 0.00 H new ATOM 0 HD11 ILE A2036 2.410 -3.676 -1.071 1.00 0.00 H new ATOM 0 HD12 ILE A2036 1.011 -2.758 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A2036 1.222 -3.006 -2.215 1.00 0.00 H new ATOM 151 N PRO A2037 -1.263 0.716 -3.014 1.00 0.00 N ATOM 152 CA PRO A2037 -2.137 1.868 -3.113 1.00 0.00 C ATOM 153 C PRO A2037 -1.875 2.841 -1.974 1.00 0.00 C ATOM 154 O PRO A2037 -1.828 2.451 -0.788 1.00 0.00 O ATOM 155 CB PRO A2037 -3.557 1.308 -2.991 1.00 0.00 C ATOM 156 CG PRO A2037 -3.435 -0.176 -3.019 1.00 0.00 C ATOM 157 CD PRO A2037 -2.004 -0.522 -2.731 1.00 0.00 C ATOM 0 HA PRO A2037 -1.979 2.409 -4.046 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -4.026 1.640 -2.065 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -4.184 1.660 -3.810 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -4.094 -0.628 -2.278 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -3.734 -0.566 -3.992 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -1.872 -0.836 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -1.660 -1.343 -3.359 1.00 0.00 H new ATOM 165 N VAL A2038 -1.674 4.072 -2.317 1.00 0.00 N ATOM 166 CA VAL A2038 -1.428 5.098 -1.344 1.00 0.00 C ATOM 167 C VAL A2038 -2.434 6.200 -1.505 1.00 0.00 C ATOM 168 O VAL A2038 -2.842 6.519 -2.621 1.00 0.00 O ATOM 169 CB VAL A2038 0.016 5.666 -1.426 1.00 0.00 C ATOM 170 CG1 VAL A2038 1.017 4.636 -0.949 1.00 0.00 C ATOM 171 CG2 VAL A2038 0.351 6.094 -2.846 1.00 0.00 C ATOM 0 H VAL A2038 -1.675 4.400 -3.283 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.531 4.645 -0.358 1.00 0.00 H new ATOM 0 HB VAL A2038 0.070 6.541 -0.778 1.00 0.00 H new ATOM 0 HG11 VAL A2038 2.023 5.050 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.799 4.369 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.950 3.746 -1.575 1.00 0.00 H new ATOM 0 HG21 VAL A2038 1.367 6.488 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A2038 0.274 5.235 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.348 6.866 -3.168 1.00 0.00 H new ATOM 181 N ILE A2039 -2.852 6.758 -0.423 1.00 0.00 N ATOM 182 CA ILE A2039 -3.840 7.794 -0.451 1.00 0.00 C ATOM 183 C ILE A2039 -3.290 9.051 0.189 1.00 0.00 C ATOM 184 O ILE A2039 -2.579 8.981 1.199 1.00 0.00 O ATOM 185 CB ILE A2039 -5.164 7.343 0.261 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.226 8.465 0.227 1.00 0.00 C ATOM 187 CG2 ILE A2039 -4.896 6.875 1.695 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.547 8.097 0.875 1.00 0.00 C ATOM 0 H ILE A2039 -2.522 6.513 0.511 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.084 8.004 -1.492 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.562 6.492 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -5.823 9.346 0.727 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.409 8.744 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -5.834 6.570 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -4.207 6.030 1.679 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.456 7.691 2.268 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.233 8.941 0.807 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -7.977 7.237 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.381 7.848 1.923 1.00 0.00 H new ATOM 200 N ASN A2040 -3.547 10.182 -0.432 1.00 0.00 N ATOM 201 CA ASN A2040 -3.184 11.451 0.158 1.00 0.00 C ATOM 202 C ASN A2040 -4.228 11.740 1.199 1.00 0.00 C ATOM 203 O ASN A2040 -5.383 11.907 0.868 1.00 0.00 O ATOM 204 CB ASN A2040 -3.146 12.588 -0.898 1.00 0.00 C ATOM 205 CG ASN A2040 -2.615 13.924 -0.339 1.00 0.00 C ATOM 206 OD1 ASN A2040 -2.803 14.248 0.829 1.00 0.00 O ATOM 207 ND2 ASN A2040 -1.971 14.708 -1.165 1.00 0.00 N ATOM 0 H ASN A2040 -4.004 10.248 -1.341 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.183 11.400 0.587 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -2.519 12.277 -1.734 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -4.150 12.741 -1.293 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -1.615 15.607 -0.841 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -1.825 14.420 -2.133 1.00 0.00 H new ATOM 214 N LYS A2041 -3.829 11.766 2.436 1.00 0.00 N ATOM 215 CA LYS A2041 -4.755 11.932 3.540 1.00 0.00 C ATOM 216 C LYS A2041 -5.328 13.335 3.607 1.00 0.00 C ATOM 217 O LYS A2041 -6.403 13.548 4.151 1.00 0.00 O ATOM 218 CB LYS A2041 -4.077 11.601 4.848 1.00 0.00 C ATOM 219 CG LYS A2041 -3.536 10.188 4.914 1.00 0.00 C ATOM 220 CD LYS A2041 -2.921 9.919 6.258 1.00 0.00 C ATOM 221 CE LYS A2041 -3.959 9.809 7.373 1.00 0.00 C ATOM 222 NZ LYS A2041 -4.777 8.582 7.253 1.00 0.00 N ATOM 0 H LYS A2041 -2.853 11.673 2.719 1.00 0.00 H new ATOM 0 HA LYS A2041 -5.582 11.243 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -3.258 12.302 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -4.787 11.747 5.662 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -4.340 9.476 4.727 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -2.792 10.041 4.132 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -2.346 8.994 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -2.220 10.718 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A2041 -3.454 9.815 8.339 1.00 0.00 H new ATOM 0 HE3 LYS A2041 -4.611 10.682 7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 -5.361 8.469 8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 -5.394 8.656 6.419 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 -4.152 7.757 7.149 1.00 0.00 H new ATOM 236 N VAL A2042 -4.613 14.283 3.055 1.00 0.00 N ATOM 237 CA VAL A2042 -5.048 15.663 3.079 1.00 0.00 C ATOM 238 C VAL A2042 -5.990 15.912 1.907 1.00 0.00 C ATOM 239 O VAL A2042 -7.108 16.401 2.075 1.00 0.00 O ATOM 240 CB VAL A2042 -3.844 16.639 2.978 1.00 0.00 C ATOM 241 CG1 VAL A2042 -4.292 18.086 3.149 1.00 0.00 C ATOM 242 CG2 VAL A2042 -2.768 16.283 3.995 1.00 0.00 C ATOM 0 H VAL A2042 -3.723 14.127 2.581 1.00 0.00 H new ATOM 0 HA VAL A2042 -5.557 15.843 4.026 1.00 0.00 H new ATOM 0 HB VAL A2042 -3.416 16.536 1.981 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -3.428 18.746 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -5.011 18.339 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -4.758 18.209 4.126 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -1.936 16.981 3.904 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -3.184 16.343 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -2.413 15.269 3.809 1.00 0.00 H new ATOM 252 N ASP A2043 -5.538 15.535 0.735 1.00 0.00 N ATOM 253 CA ASP A2043 -6.293 15.738 -0.496 1.00 0.00 C ATOM 254 C ASP A2043 -7.395 14.688 -0.664 1.00 0.00 C ATOM 255 O ASP A2043 -8.583 15.019 -0.707 1.00 0.00 O ATOM 256 CB ASP A2043 -5.342 15.728 -1.698 1.00 0.00 C ATOM 257 CG ASP A2043 -6.055 15.771 -3.021 1.00 0.00 C ATOM 258 OD1 ASP A2043 -6.401 14.703 -3.540 1.00 0.00 O ATOM 259 OD2 ASP A2043 -6.272 16.865 -3.569 1.00 0.00 O ATOM 0 H ASP A2043 -4.636 15.078 0.599 1.00 0.00 H new ATOM 0 HA ASP A2043 -6.782 16.710 -0.438 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -4.670 16.583 -1.628 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -4.723 14.832 -1.656 1.00 0.00 H new ATOM 264 N GLY A2044 -7.012 13.436 -0.713 1.00 0.00 N ATOM 265 CA GLY A2044 -7.971 12.379 -0.886 1.00 0.00 C ATOM 266 C GLY A2044 -7.673 11.500 -2.072 1.00 0.00 C ATOM 267 O GLY A2044 -8.280 10.439 -2.215 1.00 0.00 O ATOM 0 H GLY A2044 -6.043 13.127 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -7.995 11.767 0.016 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -8.964 12.813 -1.003 1.00 0.00 H new ATOM 271 N THR A2045 -6.758 11.932 -2.933 1.00 0.00 N ATOM 272 CA THR A2045 -6.395 11.152 -4.113 1.00 0.00 C ATOM 273 C THR A2045 -5.774 9.805 -3.732 1.00 0.00 C ATOM 274 O THR A2045 -4.778 9.746 -2.990 1.00 0.00 O ATOM 275 CB THR A2045 -5.432 11.923 -5.052 1.00 0.00 C ATOM 276 OG1 THR A2045 -6.052 13.134 -5.496 1.00 0.00 O ATOM 277 CG2 THR A2045 -5.069 11.094 -6.280 1.00 0.00 C ATOM 0 H THR A2045 -6.255 12.814 -2.838 1.00 0.00 H new ATOM 0 HA THR A2045 -7.325 10.971 -4.652 1.00 0.00 H new ATOM 0 HB THR A2045 -4.526 12.139 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A2045 -5.833 13.860 -4.875 1.00 0.00 H new ATOM 0 HG21 THR A2045 -4.393 11.664 -6.917 1.00 0.00 H new ATOM 0 HG22 THR A2045 -4.580 10.172 -5.965 1.00 0.00 H new ATOM 0 HG23 THR A2045 -5.975 10.853 -6.837 1.00 0.00 H new ATOM 285 N LEU A2046 -6.390 8.750 -4.210 1.00 0.00 N ATOM 286 CA LEU A2046 -5.901 7.414 -4.033 1.00 0.00 C ATOM 287 C LEU A2046 -5.111 7.022 -5.277 1.00 0.00 C ATOM 288 O LEU A2046 -5.598 7.149 -6.410 1.00 0.00 O ATOM 289 CB LEU A2046 -7.076 6.447 -3.817 1.00 0.00 C ATOM 290 CG LEU A2046 -6.717 4.967 -3.645 1.00 0.00 C ATOM 291 CD1 LEU A2046 -5.876 4.742 -2.401 1.00 0.00 C ATOM 292 CD2 LEU A2046 -7.970 4.115 -3.604 1.00 0.00 C ATOM 0 H LEU A2046 -7.259 8.803 -4.741 1.00 0.00 H new ATOM 0 HA LEU A2046 -5.256 7.364 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.626 6.770 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -7.754 6.538 -4.666 1.00 0.00 H new ATOM 0 HG LEU A2046 -6.122 4.667 -4.507 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -5.639 3.682 -2.309 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -4.952 5.315 -2.478 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.432 5.067 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -7.694 3.068 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -8.594 4.426 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -8.524 4.238 -4.535 1.00 0.00 H new ATOM 304 N LEU A2047 -3.909 6.585 -5.079 1.00 0.00 N ATOM 305 CA LEU A2047 -3.058 6.190 -6.160 1.00 0.00 C ATOM 306 C LEU A2047 -3.095 4.701 -6.323 1.00 0.00 C ATOM 307 O LEU A2047 -2.641 3.956 -5.454 1.00 0.00 O ATOM 308 CB LEU A2047 -1.611 6.668 -5.952 1.00 0.00 C ATOM 309 CG LEU A2047 -1.398 8.175 -5.717 1.00 0.00 C ATOM 310 CD1 LEU A2047 0.084 8.502 -5.666 1.00 0.00 C ATOM 311 CD2 LEU A2047 -2.091 9.017 -6.784 1.00 0.00 C ATOM 0 H LEU A2047 -3.485 6.491 -4.156 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.432 6.663 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.196 6.131 -5.099 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -1.029 6.376 -6.826 1.00 0.00 H new ATOM 0 HG LEU A2047 -1.848 8.423 -4.756 1.00 0.00 H new ATOM 0 HD11 LEU A2047 0.215 9.571 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.551 7.948 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.551 8.222 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -1.917 10.074 -6.583 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -1.690 8.763 -7.765 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -3.162 8.816 -6.767 1.00 0.00 H new ATOM 323 N VAL A2048 -3.684 4.281 -7.403 1.00 0.00 N ATOM 324 CA VAL A2048 -3.747 2.900 -7.789 1.00 0.00 C ATOM 325 C VAL A2048 -3.282 2.815 -9.219 1.00 0.00 C ATOM 326 O VAL A2048 -2.997 3.855 -9.836 1.00 0.00 O ATOM 327 CB VAL A2048 -5.181 2.293 -7.661 1.00 0.00 C ATOM 328 CG1 VAL A2048 -5.598 2.177 -6.208 1.00 0.00 C ATOM 329 CG2 VAL A2048 -6.203 3.116 -8.437 1.00 0.00 C ATOM 0 H VAL A2048 -4.148 4.908 -8.060 1.00 0.00 H new ATOM 0 HA VAL A2048 -3.113 2.320 -7.118 1.00 0.00 H new ATOM 0 HB VAL A2048 -5.149 1.293 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -6.600 1.752 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -4.898 1.530 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -5.596 3.166 -5.749 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -7.190 2.667 -8.328 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -6.222 4.134 -8.047 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -5.929 3.136 -9.492 1.00 0.00 H new ATOM 339 N GLY A2049 -3.172 1.628 -9.738 1.00 0.00 N ATOM 340 CA GLY A2049 -2.752 1.475 -11.102 1.00 0.00 C ATOM 341 C GLY A2049 -1.297 1.793 -11.259 1.00 0.00 C ATOM 342 O GLY A2049 -0.462 1.235 -10.546 1.00 0.00 O ATOM 0 H GLY A2049 -3.365 0.757 -9.244 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -2.941 0.453 -11.431 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -3.342 2.131 -11.743 1.00 0.00 H new ATOM 346 N GLU A2050 -0.993 2.725 -12.127 1.00 0.00 N ATOM 347 CA GLU A2050 0.389 3.095 -12.403 1.00 0.00 C ATOM 348 C GLU A2050 0.766 4.343 -11.619 1.00 0.00 C ATOM 349 O GLU A2050 1.899 4.823 -11.675 1.00 0.00 O ATOM 350 CB GLU A2050 0.594 3.318 -13.898 1.00 0.00 C ATOM 351 CG GLU A2050 0.194 2.133 -14.767 1.00 0.00 C ATOM 352 CD GLU A2050 0.997 0.879 -14.496 1.00 0.00 C ATOM 353 OE1 GLU A2050 0.585 0.061 -13.653 1.00 0.00 O ATOM 354 OE2 GLU A2050 2.023 0.664 -15.175 1.00 0.00 O ATOM 0 H GLU A2050 -1.684 3.250 -12.663 1.00 0.00 H new ATOM 0 HA GLU A2050 1.038 2.278 -12.087 1.00 0.00 H new ATOM 0 HB2 GLU A2050 0.018 4.191 -14.206 1.00 0.00 H new ATOM 0 HB3 GLU A2050 1.644 3.549 -14.079 1.00 0.00 H new ATOM 0 HG2 GLU A2050 -0.863 1.918 -14.608 1.00 0.00 H new ATOM 0 HG3 GLU A2050 0.309 2.408 -15.815 1.00 0.00 H new ATOM 361 N ASP A2051 -0.189 4.859 -10.889 1.00 0.00 N ATOM 362 CA ASP A2051 0.026 6.028 -10.044 1.00 0.00 C ATOM 363 C ASP A2051 0.680 5.623 -8.755 1.00 0.00 C ATOM 364 O ASP A2051 1.401 6.401 -8.128 1.00 0.00 O ATOM 365 CB ASP A2051 -1.291 6.708 -9.729 1.00 0.00 C ATOM 366 CG ASP A2051 -1.803 7.577 -10.837 1.00 0.00 C ATOM 367 OD1 ASP A2051 -1.449 8.772 -10.869 1.00 0.00 O ATOM 368 OD2 ASP A2051 -2.596 7.102 -11.676 1.00 0.00 O ATOM 0 H ASP A2051 -1.139 4.489 -10.856 1.00 0.00 H new ATOM 0 HA ASP A2051 0.671 6.720 -10.585 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -2.037 5.947 -9.503 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -1.171 7.314 -8.831 1.00 0.00 H new ATOM 373 N ALA A2052 0.424 4.410 -8.366 1.00 0.00 N ATOM 374 CA ALA A2052 0.943 3.875 -7.145 1.00 0.00 C ATOM 375 C ALA A2052 2.366 3.383 -7.370 1.00 0.00 C ATOM 376 O ALA A2052 2.647 2.752 -8.394 1.00 0.00 O ATOM 377 CB ALA A2052 0.040 2.756 -6.665 1.00 0.00 C ATOM 0 H ALA A2052 -0.157 3.758 -8.893 1.00 0.00 H new ATOM 0 HA ALA A2052 0.970 4.647 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.432 2.346 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -0.964 3.146 -6.495 1.00 0.00 H new ATOM 0 HB3 ALA A2052 0.001 1.971 -7.420 1.00 0.00 H new ATOM 383 N PRO A2053 3.286 3.704 -6.460 1.00 0.00 N ATOM 384 CA PRO A2053 4.677 3.283 -6.571 1.00 0.00 C ATOM 385 C PRO A2053 4.883 1.846 -6.093 1.00 0.00 C ATOM 386 O PRO A2053 4.039 1.280 -5.376 1.00 0.00 O ATOM 387 CB PRO A2053 5.406 4.259 -5.651 1.00 0.00 C ATOM 388 CG PRO A2053 4.412 4.603 -4.595 1.00 0.00 C ATOM 389 CD PRO A2053 3.051 4.516 -5.243 1.00 0.00 C ATOM 0 HA PRO A2053 5.032 3.296 -7.601 1.00 0.00 H new ATOM 0 HB2 PRO A2053 6.299 3.805 -5.221 1.00 0.00 H new ATOM 0 HB3 PRO A2053 5.730 5.147 -6.194 1.00 0.00 H new ATOM 0 HG2 PRO A2053 4.486 3.914 -3.754 1.00 0.00 H new ATOM 0 HG3 PRO A2053 4.592 5.604 -4.204 1.00 0.00 H new ATOM 0 HD2 PRO A2053 2.324 4.044 -4.582 1.00 0.00 H new ATOM 0 HD3 PRO A2053 2.663 5.504 -5.491 1.00 0.00 H new ATOM 397 N ARG A2054 5.993 1.250 -6.479 1.00 0.00 N ATOM 398 CA ARG A2054 6.286 -0.089 -6.056 1.00 0.00 C ATOM 399 C ARG A2054 6.719 -0.083 -4.614 1.00 0.00 C ATOM 400 O ARG A2054 7.350 0.862 -4.162 1.00 0.00 O ATOM 401 CB ARG A2054 7.347 -0.786 -6.930 1.00 0.00 C ATOM 402 CG ARG A2054 8.736 -0.176 -6.934 1.00 0.00 C ATOM 403 CD ARG A2054 9.688 -1.001 -7.802 1.00 0.00 C ATOM 404 NE ARG A2054 11.090 -0.570 -7.669 1.00 0.00 N ATOM 405 CZ ARG A2054 12.158 -1.093 -8.302 1.00 0.00 C ATOM 406 NH1 ARG A2054 12.042 -2.099 -9.178 1.00 0.00 N ATOM 407 NH2 ARG A2054 13.350 -0.594 -8.039 1.00 0.00 N ATOM 0 H ARG A2054 6.698 1.675 -7.081 1.00 0.00 H new ATOM 0 HA ARG A2054 5.368 -0.666 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A2054 7.431 -1.822 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG A2054 6.982 -0.806 -7.957 1.00 0.00 H new ATOM 0 HG2 ARG A2054 8.688 0.846 -7.309 1.00 0.00 H new ATOM 0 HG3 ARG A2054 9.118 -0.124 -5.915 1.00 0.00 H new ATOM 0 HD2 ARG A2054 9.607 -2.052 -7.526 1.00 0.00 H new ATOM 0 HD3 ARG A2054 9.384 -0.921 -8.846 1.00 0.00 H new ATOM 0 HE ARG A2054 11.271 0.205 -7.031 1.00 0.00 H new ATOM 0 HH11 ARG A2054 11.124 -2.493 -9.384 1.00 0.00 H new ATOM 0 HH12 ARG A2054 12.872 -2.471 -9.640 1.00 0.00 H new ATOM 0 HH21 ARG A2054 13.447 0.170 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A2054 14.175 -0.972 -8.505 1.00 0.00 H new ATOM 421 N ARG A2055 6.374 -1.136 -3.907 1.00 0.00 N ATOM 422 CA ARG A2055 6.690 -1.321 -2.490 1.00 0.00 C ATOM 423 C ARG A2055 8.180 -1.067 -2.189 1.00 0.00 C ATOM 424 O ARG A2055 8.513 -0.488 -1.163 1.00 0.00 O ATOM 425 CB ARG A2055 6.287 -2.733 -2.078 1.00 0.00 C ATOM 426 CG ARG A2055 6.510 -3.082 -0.623 1.00 0.00 C ATOM 427 CD ARG A2055 5.698 -2.212 0.304 1.00 0.00 C ATOM 428 NE ARG A2055 5.779 -2.671 1.684 1.00 0.00 N ATOM 429 CZ ARG A2055 6.243 -1.959 2.711 1.00 0.00 C ATOM 430 NH1 ARG A2055 6.770 -0.759 2.496 1.00 0.00 N ATOM 431 NH2 ARG A2055 6.199 -2.462 3.934 1.00 0.00 N ATOM 0 H ARG A2055 5.850 -1.916 -4.305 1.00 0.00 H new ATOM 0 HA ARG A2055 6.128 -0.589 -1.910 1.00 0.00 H new ATOM 0 HB2 ARG A2055 5.230 -2.871 -2.308 1.00 0.00 H new ATOM 0 HB3 ARG A2055 6.842 -3.443 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A2055 6.249 -4.127 -0.458 1.00 0.00 H new ATOM 0 HG3 ARG A2055 7.568 -2.976 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A2055 6.053 -1.183 0.241 1.00 0.00 H new ATOM 0 HD3 ARG A2055 4.657 -2.210 -0.018 1.00 0.00 H new ATOM 0 HE ARG A2055 5.453 -3.617 1.881 1.00 0.00 H new ATOM 0 HH11 ARG A2055 6.818 -0.386 1.548 1.00 0.00 H new ATOM 0 HH12 ARG A2055 7.126 -0.211 3.279 1.00 0.00 H new ATOM 0 HH21 ARG A2055 5.811 -3.392 4.089 1.00 0.00 H new ATOM 0 HH22 ARG A2055 6.553 -1.919 4.722 1.00 0.00 H new ATOM 445 N ALA A2056 9.041 -1.474 -3.107 1.00 0.00 N ATOM 446 CA ALA A2056 10.479 -1.277 -2.988 1.00 0.00 C ATOM 447 C ALA A2056 10.852 0.212 -2.899 1.00 0.00 C ATOM 448 O ALA A2056 11.787 0.581 -2.189 1.00 0.00 O ATOM 449 CB ALA A2056 11.199 -1.941 -4.153 1.00 0.00 C ATOM 0 H ALA A2056 8.761 -1.954 -3.962 1.00 0.00 H new ATOM 0 HA ALA A2056 10.800 -1.745 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.273 -1.787 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A2056 10.984 -3.010 -4.152 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.856 -1.503 -5.090 1.00 0.00 H new ATOM 455 N GLU A2057 10.112 1.071 -3.599 1.00 0.00 N ATOM 456 CA GLU A2057 10.414 2.514 -3.553 1.00 0.00 C ATOM 457 C GLU A2057 9.529 3.202 -2.513 1.00 0.00 C ATOM 458 O GLU A2057 9.862 4.274 -1.995 1.00 0.00 O ATOM 459 CB GLU A2057 10.167 3.190 -4.911 1.00 0.00 C ATOM 460 CG GLU A2057 10.850 2.536 -6.098 1.00 0.00 C ATOM 461 CD GLU A2057 12.314 2.287 -5.892 1.00 0.00 C ATOM 462 OE1 GLU A2057 13.073 3.236 -5.625 1.00 0.00 O ATOM 463 OE2 GLU A2057 12.739 1.133 -6.027 1.00 0.00 O ATOM 0 H GLU A2057 9.322 0.812 -4.189 1.00 0.00 H new ATOM 0 HA GLU A2057 11.467 2.613 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A2057 9.093 3.211 -5.097 1.00 0.00 H new ATOM 0 HB3 GLU A2057 10.500 4.226 -4.848 1.00 0.00 H new ATOM 0 HG2 GLU A2057 10.356 1.588 -6.312 1.00 0.00 H new ATOM 0 HG3 GLU A2057 10.719 3.169 -6.975 1.00 0.00 H new ATOM 470 N LEU A2058 8.428 2.538 -2.208 1.00 0.00 N ATOM 471 CA LEU A2058 7.349 3.011 -1.340 1.00 0.00 C ATOM 472 C LEU A2058 7.859 3.590 -0.016 1.00 0.00 C ATOM 473 O LEU A2058 7.434 4.672 0.371 1.00 0.00 O ATOM 474 CB LEU A2058 6.342 1.833 -1.140 1.00 0.00 C ATOM 475 CG LEU A2058 5.043 2.034 -0.329 1.00 0.00 C ATOM 476 CD1 LEU A2058 5.296 2.103 1.163 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.287 3.255 -0.813 1.00 0.00 C ATOM 0 H LEU A2058 8.247 1.604 -2.576 1.00 0.00 H new ATOM 0 HA LEU A2058 6.839 3.848 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A2058 6.050 1.489 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A2058 6.891 1.018 -0.669 1.00 0.00 H new ATOM 0 HG LEU A2058 4.422 1.155 -0.500 1.00 0.00 H new ATOM 0 HD11 LEU A2058 4.350 2.245 1.686 1.00 0.00 H new ATOM 0 HD12 LEU A2058 5.760 1.175 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A2058 5.960 2.939 1.381 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.376 3.375 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A2058 4.913 4.140 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A2058 4.028 3.129 -1.864 1.00 0.00 H new ATOM 489 N GLU A2059 8.785 2.892 0.643 1.00 0.00 N ATOM 490 CA GLU A2059 9.331 3.337 1.941 1.00 0.00 C ATOM 491 C GLU A2059 9.884 4.753 1.858 1.00 0.00 C ATOM 492 O GLU A2059 9.428 5.657 2.555 1.00 0.00 O ATOM 493 CB GLU A2059 10.449 2.401 2.386 1.00 0.00 C ATOM 494 CG GLU A2059 9.998 0.999 2.713 1.00 0.00 C ATOM 495 CD GLU A2059 9.147 0.937 3.964 1.00 0.00 C ATOM 496 OE1 GLU A2059 7.926 1.140 3.883 1.00 0.00 O ATOM 497 OE2 GLU A2059 9.689 0.679 5.057 1.00 0.00 O ATOM 0 H GLU A2059 9.178 2.014 0.304 1.00 0.00 H new ATOM 0 HA GLU A2059 8.514 3.320 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A2059 11.201 2.353 1.598 1.00 0.00 H new ATOM 0 HB3 GLU A2059 10.935 2.827 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A2059 9.431 0.598 1.872 1.00 0.00 H new ATOM 0 HG3 GLU A2059 10.872 0.361 2.841 1.00 0.00 H new ATOM 504 N MET A2060 10.825 4.940 0.958 1.00 0.00 N ATOM 505 CA MET A2060 11.481 6.235 0.784 1.00 0.00 C ATOM 506 C MET A2060 10.522 7.271 0.228 1.00 0.00 C ATOM 507 O MET A2060 10.561 8.437 0.617 1.00 0.00 O ATOM 508 CB MET A2060 12.722 6.112 -0.111 1.00 0.00 C ATOM 509 CG MET A2060 13.833 5.261 0.489 1.00 0.00 C ATOM 510 SD MET A2060 15.276 5.120 -0.589 1.00 0.00 S ATOM 511 CE MET A2060 16.352 4.101 0.423 1.00 0.00 C ATOM 0 H MET A2060 11.160 4.212 0.328 1.00 0.00 H new ATOM 0 HA MET A2060 11.804 6.571 1.769 1.00 0.00 H new ATOM 0 HB2 MET A2060 12.426 5.684 -1.069 1.00 0.00 H new ATOM 0 HB3 MET A2060 13.111 7.109 -0.315 1.00 0.00 H new ATOM 0 HG2 MET A2060 14.139 5.693 1.442 1.00 0.00 H new ATOM 0 HG3 MET A2060 13.446 4.264 0.700 1.00 0.00 H new ATOM 0 HE1 MET A2060 17.288 3.924 -0.106 1.00 0.00 H new ATOM 0 HE2 MET A2060 16.558 4.612 1.364 1.00 0.00 H new ATOM 0 HE3 MET A2060 15.864 3.148 0.627 1.00 0.00 H new ATOM 521 N TRP A2061 9.632 6.841 -0.647 1.00 0.00 N ATOM 522 CA TRP A2061 8.676 7.739 -1.261 1.00 0.00 C ATOM 523 C TRP A2061 7.711 8.312 -0.213 1.00 0.00 C ATOM 524 O TRP A2061 7.414 9.508 -0.230 1.00 0.00 O ATOM 525 CB TRP A2061 7.917 7.042 -2.401 1.00 0.00 C ATOM 526 CG TRP A2061 6.993 7.957 -3.144 1.00 0.00 C ATOM 527 CD1 TRP A2061 7.332 8.828 -4.135 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.583 8.100 -2.948 1.00 0.00 C ATOM 529 NE1 TRP A2061 6.217 9.500 -4.570 1.00 0.00 N ATOM 530 CE2 TRP A2061 5.135 9.073 -3.857 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.657 7.500 -2.091 1.00 0.00 C ATOM 532 CZ2 TRP A2061 3.805 9.460 -3.935 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.342 7.888 -2.175 1.00 0.00 C ATOM 534 CH2 TRP A2061 2.927 8.858 -3.089 1.00 0.00 C ATOM 0 H TRP A2061 9.553 5.870 -0.949 1.00 0.00 H new ATOM 0 HA TRP A2061 9.227 8.573 -1.695 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.637 6.617 -3.101 1.00 0.00 H new ATOM 0 HB3 TRP A2061 7.342 6.211 -1.991 1.00 0.00 H new ATOM 0 HD1 TRP A2061 8.331 8.969 -4.521 1.00 0.00 H new ATOM 0 HE1 TRP A2061 6.200 10.205 -5.307 1.00 0.00 H new ATOM 0 HE3 TRP A2061 4.968 6.749 -1.380 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.480 10.210 -4.640 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.614 7.433 -1.520 1.00 0.00 H new ATOM 0 HH2 TRP A2061 1.884 9.137 -3.125 1.00 0.00 H new ATOM 545 N LEU A2062 7.252 7.466 0.707 1.00 0.00 N ATOM 546 CA LEU A2062 6.362 7.906 1.783 1.00 0.00 C ATOM 547 C LEU A2062 7.032 8.891 2.709 1.00 0.00 C ATOM 548 O LEU A2062 6.371 9.755 3.280 1.00 0.00 O ATOM 549 CB LEU A2062 5.739 6.753 2.570 1.00 0.00 C ATOM 550 CG LEU A2062 4.665 5.937 1.849 1.00 0.00 C ATOM 551 CD1 LEU A2062 4.076 4.906 2.783 1.00 0.00 C ATOM 552 CD2 LEU A2062 3.563 6.833 1.309 1.00 0.00 C ATOM 0 H LEU A2062 7.481 6.472 0.730 1.00 0.00 H new ATOM 0 HA LEU A2062 5.541 8.418 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A2062 6.537 6.075 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A2062 5.304 7.159 3.483 1.00 0.00 H new ATOM 0 HG LEU A2062 5.138 5.432 1.007 1.00 0.00 H new ATOM 0 HD11 LEU A2062 3.313 4.332 2.257 1.00 0.00 H new ATOM 0 HD12 LEU A2062 4.863 4.234 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A2062 3.627 5.407 3.641 1.00 0.00 H new ATOM 0 HD21 LEU A2062 2.815 6.224 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A2062 3.095 7.371 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A2062 3.988 7.547 0.604 1.00 0.00 H new ATOM 564 N GLN A2063 8.325 8.739 2.896 1.00 0.00 N ATOM 565 CA GLN A2063 9.090 9.673 3.699 1.00 0.00 C ATOM 566 C GLN A2063 9.084 11.058 3.037 1.00 0.00 C ATOM 567 O GLN A2063 8.989 12.087 3.709 1.00 0.00 O ATOM 568 CB GLN A2063 10.520 9.188 3.854 1.00 0.00 C ATOM 569 CG GLN A2063 10.650 7.831 4.514 1.00 0.00 C ATOM 570 CD GLN A2063 12.090 7.425 4.680 1.00 0.00 C ATOM 571 OE1 GLN A2063 12.683 6.804 3.798 1.00 0.00 O ATOM 572 NE2 GLN A2063 12.671 7.766 5.801 1.00 0.00 N ATOM 0 H GLN A2063 8.872 7.974 2.501 1.00 0.00 H new ATOM 0 HA GLN A2063 8.631 9.742 4.685 1.00 0.00 H new ATOM 0 HB2 GLN A2063 10.986 9.146 2.869 1.00 0.00 H new ATOM 0 HB3 GLN A2063 11.078 9.919 4.440 1.00 0.00 H new ATOM 0 HG2 GLN A2063 10.164 7.853 5.489 1.00 0.00 H new ATOM 0 HG3 GLN A2063 10.129 7.084 3.915 1.00 0.00 H new ATOM 0 HE21 GLN A2063 12.149 8.281 6.510 1.00 0.00 H new ATOM 0 HE22 GLN A2063 13.646 7.517 5.966 1.00 0.00 H new ATOM 581 N GLY A2064 9.149 11.062 1.715 1.00 0.00 N ATOM 582 CA GLY A2064 9.151 12.302 0.953 1.00 0.00 C ATOM 583 C GLY A2064 7.765 12.926 0.825 1.00 0.00 C ATOM 584 O GLY A2064 7.637 14.095 0.454 1.00 0.00 O ATOM 0 H GLY A2064 9.201 10.218 1.145 1.00 0.00 H new ATOM 0 HA2 GLY A2064 9.822 13.015 1.432 1.00 0.00 H new ATOM 0 HA3 GLY A2064 9.550 12.109 -0.043 1.00 0.00 H new ATOM 588 N HIS A2065 6.740 12.154 1.135 1.00 0.00 N ATOM 589 CA HIS A2065 5.366 12.612 1.078 1.00 0.00 C ATOM 590 C HIS A2065 4.580 12.101 2.262 1.00 0.00 C ATOM 591 O HIS A2065 3.948 11.048 2.183 1.00 0.00 O ATOM 592 CB HIS A2065 4.628 12.209 -0.214 1.00 0.00 C ATOM 593 CG HIS A2065 4.965 12.995 -1.441 1.00 0.00 C ATOM 594 ND1 HIS A2065 4.294 14.144 -1.827 1.00 0.00 N ATOM 595 CD2 HIS A2065 5.884 12.761 -2.406 1.00 0.00 C ATOM 596 CE1 HIS A2065 4.806 14.551 -2.984 1.00 0.00 C ATOM 597 NE2 HIS A2065 5.781 13.750 -3.384 1.00 0.00 N ATOM 0 H HIS A2065 6.839 11.184 1.436 1.00 0.00 H new ATOM 0 HA HIS A2065 5.427 13.700 1.096 1.00 0.00 H new ATOM 0 HB2 HIS A2065 4.836 11.158 -0.413 1.00 0.00 H new ATOM 0 HB3 HIS A2065 3.556 12.294 -0.037 1.00 0.00 H new ATOM 0 HD1 HIS A2065 3.539 14.598 -1.313 1.00 0.00 H new ATOM 0 HD2 HIS A2065 6.585 11.940 -2.417 1.00 0.00 H new ATOM 0 HE1 HIS A2065 4.470 15.422 -3.527 1.00 0.00 H new ATOM 605 N PRO A2066 4.614 12.820 3.395 1.00 0.00 N ATOM 606 CA PRO A2066 3.851 12.441 4.589 1.00 0.00 C ATOM 607 C PRO A2066 2.348 12.632 4.376 1.00 0.00 C ATOM 608 O PRO A2066 1.528 12.238 5.199 1.00 0.00 O ATOM 609 CB PRO A2066 4.374 13.376 5.682 1.00 0.00 C ATOM 610 CG PRO A2066 5.005 14.521 4.963 1.00 0.00 C ATOM 611 CD PRO A2066 5.429 14.029 3.613 1.00 0.00 C ATOM 0 HA PRO A2066 3.979 11.388 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A2066 3.564 13.717 6.327 1.00 0.00 H new ATOM 0 HB3 PRO A2066 5.097 12.867 6.320 1.00 0.00 H new ATOM 0 HG2 PRO A2066 4.301 15.347 4.866 1.00 0.00 H new ATOM 0 HG3 PRO A2066 5.863 14.897 5.520 1.00 0.00 H new ATOM 0 HD2 PRO A2066 5.246 14.777 2.841 1.00 0.00 H new ATOM 0 HD3 PRO A2066 6.494 13.800 3.589 1.00 0.00 H new ATOM 619 N GLU A2067 2.017 13.265 3.258 1.00 0.00 N ATOM 620 CA GLU A2067 0.648 13.475 2.807 1.00 0.00 C ATOM 621 C GLU A2067 0.012 12.130 2.519 1.00 0.00 C ATOM 622 O GLU A2067 -1.143 11.880 2.849 1.00 0.00 O ATOM 623 CB GLU A2067 0.670 14.230 1.492 1.00 0.00 C ATOM 624 CG GLU A2067 1.378 15.556 1.510 1.00 0.00 C ATOM 625 CD GLU A2067 1.555 16.077 0.117 1.00 0.00 C ATOM 626 OE1 GLU A2067 0.596 16.621 -0.457 1.00 0.00 O ATOM 627 OE2 GLU A2067 2.670 15.931 -0.445 1.00 0.00 O ATOM 0 H GLU A2067 2.712 13.657 2.623 1.00 0.00 H new ATOM 0 HA GLU A2067 0.100 14.022 3.574 1.00 0.00 H new ATOM 0 HB2 GLU A2067 1.142 13.598 0.740 1.00 0.00 H new ATOM 0 HB3 GLU A2067 -0.359 14.393 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A2067 0.807 16.271 2.102 1.00 0.00 H new ATOM 0 HG3 GLU A2067 2.351 15.449 1.990 1.00 0.00 H new ATOM 634 N PHE A2068 0.791 11.280 1.897 1.00 0.00 N ATOM 635 CA PHE A2068 0.341 9.997 1.465 1.00 0.00 C ATOM 636 C PHE A2068 0.684 8.948 2.482 1.00 0.00 C ATOM 637 O PHE A2068 1.736 9.004 3.126 1.00 0.00 O ATOM 638 CB PHE A2068 0.956 9.619 0.105 1.00 0.00 C ATOM 639 CG PHE A2068 0.468 10.434 -1.073 1.00 0.00 C ATOM 640 CD1 PHE A2068 0.995 11.684 -1.353 1.00 0.00 C ATOM 641 CD2 PHE A2068 -0.508 9.926 -1.912 1.00 0.00 C ATOM 642 CE1 PHE A2068 0.558 12.410 -2.441 1.00 0.00 C ATOM 643 CE2 PHE A2068 -0.953 10.651 -3.000 1.00 0.00 C ATOM 644 CZ PHE A2068 -0.419 11.892 -3.266 1.00 0.00 C ATOM 0 H PHE A2068 1.769 11.471 1.677 1.00 0.00 H new ATOM 0 HA PHE A2068 -0.742 10.049 1.353 1.00 0.00 H new ATOM 0 HB2 PHE A2068 2.039 9.722 0.173 1.00 0.00 H new ATOM 0 HB3 PHE A2068 0.747 8.567 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A2068 1.759 12.096 -0.710 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -0.927 8.951 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE A2068 0.980 13.383 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -1.720 10.244 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A2068 -0.764 12.458 -4.118 1.00 0.00 H new ATOM 654 N ALA A2069 -0.201 8.024 2.637 1.00 0.00 N ATOM 655 CA ALA A2069 -0.015 6.900 3.500 1.00 0.00 C ATOM 656 C ALA A2069 -0.585 5.695 2.798 1.00 0.00 C ATOM 657 O ALA A2069 -1.262 5.848 1.765 1.00 0.00 O ATOM 658 CB ALA A2069 -0.714 7.125 4.835 1.00 0.00 C ATOM 0 H ALA A2069 -1.100 8.026 2.155 1.00 0.00 H new ATOM 0 HA ALA A2069 1.044 6.753 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -0.560 6.258 5.477 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -0.301 8.011 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -1.782 7.267 4.667 1.00 0.00 H new ATOM 664 N VAL A2070 -0.311 4.521 3.319 1.00 0.00 N ATOM 665 CA VAL A2070 -0.830 3.290 2.752 1.00 0.00 C ATOM 666 C VAL A2070 -2.360 3.276 2.856 1.00 0.00 C ATOM 667 O VAL A2070 -2.919 3.698 3.880 1.00 0.00 O ATOM 668 CB VAL A2070 -0.196 2.031 3.441 1.00 0.00 C ATOM 669 CG1 VAL A2070 -0.413 2.040 4.951 1.00 0.00 C ATOM 670 CG2 VAL A2070 -0.715 0.736 2.828 1.00 0.00 C ATOM 0 H VAL A2070 0.275 4.389 4.144 1.00 0.00 H new ATOM 0 HA VAL A2070 -0.553 3.247 1.699 1.00 0.00 H new ATOM 0 HB VAL A2070 0.878 2.081 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A2070 0.041 1.151 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A2070 0.046 2.931 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -1.482 2.044 5.165 1.00 0.00 H new ATOM 0 HG21 VAL A2070 -0.254 -0.115 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A2070 -1.797 0.685 2.947 1.00 0.00 H new ATOM 0 HG23 VAL A2070 -0.465 0.710 1.767 1.00 0.00 H new ATOM 680 N ASP A2071 -3.011 2.860 1.783 1.00 0.00 N ATOM 681 CA ASP A2071 -4.461 2.816 1.708 1.00 0.00 C ATOM 682 C ASP A2071 -5.076 1.934 2.801 1.00 0.00 C ATOM 683 O ASP A2071 -4.774 0.728 2.894 1.00 0.00 O ATOM 684 CB ASP A2071 -4.911 2.359 0.326 1.00 0.00 C ATOM 685 CG ASP A2071 -6.389 2.084 0.244 1.00 0.00 C ATOM 686 OD1 ASP A2071 -7.204 2.964 0.598 1.00 0.00 O ATOM 687 OD2 ASP A2071 -6.750 0.970 -0.123 1.00 0.00 O ATOM 0 H ASP A2071 -2.545 2.541 0.934 1.00 0.00 H new ATOM 0 HA ASP A2071 -4.823 3.830 1.879 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -4.649 3.124 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.364 1.456 0.053 1.00 0.00 H new ATOM 692 N PRO A2072 -5.937 2.529 3.660 1.00 0.00 N ATOM 693 CA PRO A2072 -6.605 1.815 4.743 1.00 0.00 C ATOM 694 C PRO A2072 -7.554 0.732 4.235 1.00 0.00 C ATOM 695 O PRO A2072 -7.892 -0.210 4.973 1.00 0.00 O ATOM 696 CB PRO A2072 -7.389 2.902 5.484 1.00 0.00 C ATOM 697 CG PRO A2072 -6.790 4.188 5.045 1.00 0.00 C ATOM 698 CD PRO A2072 -6.294 3.961 3.656 1.00 0.00 C ATOM 0 HA PRO A2072 -5.885 1.293 5.373 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -8.450 2.858 5.238 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -7.307 2.779 6.564 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -7.528 4.990 5.069 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -5.976 4.484 5.706 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -7.060 4.184 2.913 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -5.434 4.591 3.427 1.00 0.00 H new ATOM 706 N ARG A2073 -7.991 0.862 2.998 1.00 0.00 N ATOM 707 CA ARG A2073 -8.844 -0.132 2.381 1.00 0.00 C ATOM 708 C ARG A2073 -8.016 -1.384 2.121 1.00 0.00 C ATOM 709 O ARG A2073 -8.398 -2.477 2.530 1.00 0.00 O ATOM 710 CB ARG A2073 -9.445 0.419 1.088 1.00 0.00 C ATOM 711 CG ARG A2073 -10.205 -0.587 0.251 1.00 0.00 C ATOM 712 CD ARG A2073 -10.603 0.037 -1.067 1.00 0.00 C ATOM 713 NE ARG A2073 -11.219 -0.922 -1.990 1.00 0.00 N ATOM 714 CZ ARG A2073 -11.211 -0.790 -3.325 1.00 0.00 C ATOM 715 NH1 ARG A2073 -10.550 0.222 -3.891 1.00 0.00 N ATOM 716 NH2 ARG A2073 -11.831 -1.680 -4.093 1.00 0.00 N ATOM 0 H ARG A2073 -7.766 1.654 2.396 1.00 0.00 H new ATOM 0 HA ARG A2073 -9.673 -0.384 3.043 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -10.117 1.240 1.339 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -8.642 0.838 0.483 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -9.587 -1.467 0.075 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -11.093 -0.923 0.787 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -11.301 0.854 -0.881 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -9.722 0.472 -1.538 1.00 0.00 H new ATOM 0 HE ARG A2073 -11.682 -1.739 -1.593 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -10.051 0.895 -3.309 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -10.544 0.323 -4.906 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -12.317 -2.470 -3.668 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -11.821 -1.573 -5.107 1.00 0.00 H new ATOM 730 N PHE A2074 -6.871 -1.198 1.469 1.00 0.00 N ATOM 731 CA PHE A2074 -5.905 -2.258 1.215 1.00 0.00 C ATOM 732 C PHE A2074 -5.532 -2.977 2.511 1.00 0.00 C ATOM 733 O PHE A2074 -5.477 -4.199 2.545 1.00 0.00 O ATOM 734 CB PHE A2074 -4.642 -1.687 0.533 1.00 0.00 C ATOM 735 CG PHE A2074 -3.550 -2.698 0.277 1.00 0.00 C ATOM 736 CD1 PHE A2074 -3.642 -3.591 -0.781 1.00 0.00 C ATOM 737 CD2 PHE A2074 -2.426 -2.747 1.093 1.00 0.00 C ATOM 738 CE1 PHE A2074 -2.640 -4.514 -1.017 1.00 0.00 C ATOM 739 CE2 PHE A2074 -1.423 -3.667 0.861 1.00 0.00 C ATOM 740 CZ PHE A2074 -1.529 -4.553 -0.194 1.00 0.00 C ATOM 0 H PHE A2074 -6.586 -0.292 1.097 1.00 0.00 H new ATOM 0 HA PHE A2074 -6.366 -2.983 0.544 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.931 -1.237 -0.417 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -4.240 -0.888 1.156 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -4.507 -3.565 -1.428 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -2.336 -2.057 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -2.725 -5.204 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A2074 -0.556 -3.694 1.504 1.00 0.00 H new ATOM 0 HZ PHE A2074 -0.746 -5.274 -0.376 1.00 0.00 H new ATOM 750 N LEU A2075 -5.299 -2.208 3.572 1.00 0.00 N ATOM 751 CA LEU A2075 -4.964 -2.773 4.885 1.00 0.00 C ATOM 752 C LEU A2075 -6.065 -3.705 5.387 1.00 0.00 C ATOM 753 O LEU A2075 -5.804 -4.858 5.755 1.00 0.00 O ATOM 754 CB LEU A2075 -4.723 -1.665 5.920 1.00 0.00 C ATOM 755 CG LEU A2075 -3.563 -0.706 5.648 1.00 0.00 C ATOM 756 CD1 LEU A2075 -3.455 0.320 6.766 1.00 0.00 C ATOM 757 CD2 LEU A2075 -2.253 -1.468 5.495 1.00 0.00 C ATOM 0 H LEU A2075 -5.335 -1.189 3.552 1.00 0.00 H new ATOM 0 HA LEU A2075 -4.047 -3.348 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -5.637 -1.077 6.007 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -4.554 -2.136 6.888 1.00 0.00 H new ATOM 0 HG LEU A2075 -3.762 -0.184 4.712 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -2.625 0.996 6.560 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -4.382 0.890 6.827 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -3.280 -0.191 7.713 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -1.443 -0.764 5.302 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -2.044 -2.020 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -2.333 -2.166 4.662 1.00 0.00 H new ATOM 769 N ALA A2076 -7.293 -3.214 5.356 1.00 0.00 N ATOM 770 CA ALA A2076 -8.445 -3.970 5.831 1.00 0.00 C ATOM 771 C ALA A2076 -8.714 -5.175 4.934 1.00 0.00 C ATOM 772 O ALA A2076 -9.151 -6.235 5.402 1.00 0.00 O ATOM 773 CB ALA A2076 -9.669 -3.071 5.901 1.00 0.00 C ATOM 0 H ALA A2076 -7.521 -2.285 5.003 1.00 0.00 H new ATOM 0 HA ALA A2076 -8.225 -4.340 6.832 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -10.523 -3.647 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -9.476 -2.246 6.587 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -9.887 -2.675 4.909 1.00 0.00 H new ATOM 779 N TYR A2077 -8.447 -5.008 3.660 1.00 0.00 N ATOM 780 CA TYR A2077 -8.631 -6.048 2.683 1.00 0.00 C ATOM 781 C TYR A2077 -7.604 -7.152 2.880 1.00 0.00 C ATOM 782 O TYR A2077 -7.940 -8.332 2.855 1.00 0.00 O ATOM 783 CB TYR A2077 -8.516 -5.464 1.274 1.00 0.00 C ATOM 784 CG TYR A2077 -8.801 -6.452 0.173 1.00 0.00 C ATOM 785 CD1 TYR A2077 -10.081 -6.929 -0.024 1.00 0.00 C ATOM 786 CD2 TYR A2077 -7.790 -6.910 -0.667 1.00 0.00 C ATOM 787 CE1 TYR A2077 -10.358 -7.828 -1.018 1.00 0.00 C ATOM 788 CE2 TYR A2077 -8.062 -7.818 -1.673 1.00 0.00 C ATOM 789 CZ TYR A2077 -9.350 -8.272 -1.842 1.00 0.00 C ATOM 790 OH TYR A2077 -9.639 -9.175 -2.845 1.00 0.00 O ATOM 0 H TYR A2077 -8.092 -4.135 3.271 1.00 0.00 H new ATOM 0 HA TYR A2077 -9.625 -6.477 2.810 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -9.206 -4.625 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -7.511 -5.065 1.139 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -10.879 -6.586 0.618 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -6.780 -6.551 -0.531 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -11.367 -8.188 -1.155 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -7.271 -8.168 -2.320 1.00 0.00 H new ATOM 0 HH TYR A2077 -8.820 -9.388 -3.339 1.00 0.00 H new ATOM 800 N MET A2078 -6.360 -6.755 3.095 1.00 0.00 N ATOM 801 CA MET A2078 -5.244 -7.679 3.261 1.00 0.00 C ATOM 802 C MET A2078 -5.473 -8.633 4.437 1.00 0.00 C ATOM 803 O MET A2078 -5.184 -9.837 4.338 1.00 0.00 O ATOM 804 CB MET A2078 -3.923 -6.903 3.425 1.00 0.00 C ATOM 805 CG MET A2078 -2.679 -7.776 3.533 1.00 0.00 C ATOM 806 SD MET A2078 -1.140 -6.820 3.567 1.00 0.00 S ATOM 807 CE MET A2078 -1.355 -5.841 5.059 1.00 0.00 C ATOM 0 H MET A2078 -6.092 -5.773 3.160 1.00 0.00 H new ATOM 0 HA MET A2078 -5.176 -8.288 2.360 1.00 0.00 H new ATOM 0 HB2 MET A2078 -3.805 -6.230 2.575 1.00 0.00 H new ATOM 0 HB3 MET A2078 -3.992 -6.281 4.317 1.00 0.00 H new ATOM 0 HG2 MET A2078 -2.744 -8.381 4.438 1.00 0.00 H new ATOM 0 HG3 MET A2078 -2.652 -8.466 2.690 1.00 0.00 H new ATOM 0 HE1 MET A2078 -0.405 -5.383 5.333 1.00 0.00 H new ATOM 0 HE2 MET A2078 -2.095 -5.062 4.879 1.00 0.00 H new ATOM 0 HE3 MET A2078 -1.695 -6.484 5.870 1.00 0.00 H new