USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=5 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 -53:sc= 1.37 USER MOD Single : A2040 ASN : amide:sc= 0.261 K(o=0.26,f=-10!) USER MOD Single : A2041 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2045 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A2060 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A2063 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2065 HIS : no HE2:sc= 0.534 K(o=0.53,f=-1.7!) USER MOD Single : A2077 TYR OH : rot 180:sc= 0 USER MOD Single : A2078 MET CE :methyl 165:sc= 0 (180deg=-0.333) USER MOD ----------------------------------------------------------------- ATOM 60 N LEU A2032 7.436 -6.915 -3.756 1.00 0.00 N ATOM 61 CA LEU A2032 8.198 -5.641 -3.686 1.00 0.00 C ATOM 62 C LEU A2032 7.975 -4.733 -4.897 1.00 0.00 C ATOM 63 O LEU A2032 7.933 -3.517 -4.769 1.00 0.00 O ATOM 64 CB LEU A2032 9.688 -5.868 -3.424 1.00 0.00 C ATOM 65 CG LEU A2032 10.038 -6.574 -2.111 1.00 0.00 C ATOM 66 CD1 LEU A2032 11.526 -6.792 -2.025 1.00 0.00 C ATOM 67 CD2 LEU A2032 9.551 -5.771 -0.909 1.00 0.00 C ATOM 0 HA LEU A2032 7.791 -5.110 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A2032 10.097 -6.453 -4.248 1.00 0.00 H new ATOM 0 HB3 LEU A2032 10.191 -4.901 -3.439 1.00 0.00 H new ATOM 0 HG LEU A2032 9.534 -7.540 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A2032 11.767 -7.295 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A2032 11.852 -7.409 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A2032 12.037 -5.830 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A2032 9.813 -6.296 0.010 1.00 0.00 H new ATOM 0 HD22 LEU A2032 10.023 -4.788 -0.913 1.00 0.00 H new ATOM 0 HD23 LEU A2032 8.469 -5.654 -0.964 1.00 0.00 H new ATOM 79 N GLU A2033 7.799 -5.315 -6.048 1.00 0.00 N ATOM 80 CA GLU A2033 7.538 -4.553 -7.264 1.00 0.00 C ATOM 81 C GLU A2033 6.098 -4.068 -7.278 1.00 0.00 C ATOM 82 O GLU A2033 5.729 -3.172 -8.012 1.00 0.00 O ATOM 83 CB GLU A2033 7.884 -5.400 -8.519 1.00 0.00 C ATOM 84 CG GLU A2033 7.223 -6.798 -8.612 1.00 0.00 C ATOM 85 CD GLU A2033 5.728 -6.781 -8.885 1.00 0.00 C ATOM 86 OE1 GLU A2033 5.327 -6.465 -10.026 1.00 0.00 O ATOM 87 OE2 GLU A2033 4.928 -7.111 -7.977 1.00 0.00 O ATOM 0 H GLU A2033 7.830 -6.325 -6.184 1.00 0.00 H new ATOM 0 HA GLU A2033 8.180 -3.672 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A2033 7.602 -4.830 -9.404 1.00 0.00 H new ATOM 0 HB3 GLU A2033 8.966 -5.531 -8.555 1.00 0.00 H new ATOM 0 HG2 GLU A2033 7.716 -7.365 -9.402 1.00 0.00 H new ATOM 0 HG3 GLU A2033 7.401 -7.331 -7.678 1.00 0.00 H new ATOM 94 N THR A2034 5.331 -4.676 -6.424 1.00 0.00 N ATOM 95 CA THR A2034 3.938 -4.467 -6.291 1.00 0.00 C ATOM 96 C THR A2034 3.634 -3.055 -5.806 1.00 0.00 C ATOM 97 O THR A2034 4.069 -2.647 -4.723 1.00 0.00 O ATOM 98 CB THR A2034 3.431 -5.465 -5.279 1.00 0.00 C ATOM 99 OG1 THR A2034 4.235 -6.662 -5.410 1.00 0.00 O ATOM 100 CG2 THR A2034 1.970 -5.805 -5.545 1.00 0.00 C ATOM 0 H THR A2034 5.691 -5.369 -5.768 1.00 0.00 H new ATOM 0 HA THR A2034 3.453 -4.594 -7.259 1.00 0.00 H new ATOM 0 HB THR A2034 3.504 -5.048 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A2034 4.229 -6.959 -6.344 1.00 0.00 H new ATOM 0 HG21 THR A2034 1.624 -6.526 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A2034 1.368 -4.899 -5.479 1.00 0.00 H new ATOM 0 HG23 THR A2034 1.872 -6.234 -6.542 1.00 0.00 H new ATOM 108 N ARG A2035 2.968 -2.328 -6.645 1.00 0.00 N ATOM 109 CA ARG A2035 2.488 -0.997 -6.365 1.00 0.00 C ATOM 110 C ARG A2035 1.478 -0.961 -5.225 1.00 0.00 C ATOM 111 O ARG A2035 0.337 -1.428 -5.363 1.00 0.00 O ATOM 112 CB ARG A2035 1.941 -0.282 -7.636 1.00 0.00 C ATOM 113 CG ARG A2035 0.865 -1.006 -8.466 1.00 0.00 C ATOM 114 CD ARG A2035 1.358 -2.266 -9.158 1.00 0.00 C ATOM 115 NE ARG A2035 2.611 -2.043 -9.905 1.00 0.00 N ATOM 116 CZ ARG A2035 3.501 -3.000 -10.249 1.00 0.00 C ATOM 117 NH1 ARG A2035 3.288 -4.285 -9.917 1.00 0.00 N ATOM 118 NH2 ARG A2035 4.590 -2.664 -10.917 1.00 0.00 N ATOM 0 H ARG A2035 2.730 -2.651 -7.583 1.00 0.00 H new ATOM 0 HA ARG A2035 3.359 -0.434 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A2035 1.533 0.681 -7.328 1.00 0.00 H new ATOM 0 HB3 ARG A2035 2.786 -0.075 -8.293 1.00 0.00 H new ATOM 0 HG2 ARG A2035 0.032 -1.265 -7.813 1.00 0.00 H new ATOM 0 HG3 ARG A2035 0.479 -0.319 -9.219 1.00 0.00 H new ATOM 0 HD2 ARG A2035 1.515 -3.048 -8.415 1.00 0.00 H new ATOM 0 HD3 ARG A2035 0.589 -2.626 -9.842 1.00 0.00 H new ATOM 0 HE ARG A2035 2.823 -1.086 -10.185 1.00 0.00 H new ATOM 0 HH11 ARG A2035 2.448 -4.546 -9.400 1.00 0.00 H new ATOM 0 HH12 ARG A2035 3.966 -4.999 -10.182 1.00 0.00 H new ATOM 0 HH21 ARG A2035 4.753 -1.689 -11.169 1.00 0.00 H new ATOM 0 HH22 ARG A2035 5.267 -3.379 -11.181 1.00 0.00 H new ATOM 132 N ILE A2036 1.932 -0.483 -4.089 1.00 0.00 N ATOM 133 CA ILE A2036 1.090 -0.295 -2.931 1.00 0.00 C ATOM 134 C ILE A2036 0.235 0.962 -3.133 1.00 0.00 C ATOM 135 O ILE A2036 0.778 2.050 -3.335 1.00 0.00 O ATOM 136 CB ILE A2036 1.940 -0.111 -1.640 1.00 0.00 C ATOM 137 CG1 ILE A2036 2.912 -1.281 -1.452 1.00 0.00 C ATOM 138 CG2 ILE A2036 1.055 0.062 -0.403 1.00 0.00 C ATOM 139 CD1 ILE A2036 2.258 -2.646 -1.340 1.00 0.00 C ATOM 0 H ILE A2036 2.904 -0.212 -3.942 1.00 0.00 H new ATOM 0 HA ILE A2036 0.464 -1.180 -2.817 1.00 0.00 H new ATOM 0 HB ILE A2036 2.522 0.802 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A2036 3.607 -1.295 -2.292 1.00 0.00 H new ATOM 0 HG13 ILE A2036 3.502 -1.103 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.683 0.188 0.479 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.424 0.942 -0.527 1.00 0.00 H new ATOM 0 HG23 ILE A2036 0.427 -0.820 -0.279 1.00 0.00 H new ATOM 0 HD11 ILE A2036 3.026 -3.408 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A2036 1.586 -2.658 -0.482 1.00 0.00 H new ATOM 0 HD13 ILE A2036 1.692 -2.854 -2.248 1.00 0.00 H new ATOM 151 N PRO A2037 -1.098 0.824 -3.118 1.00 0.00 N ATOM 152 CA PRO A2037 -1.995 1.962 -3.251 1.00 0.00 C ATOM 153 C PRO A2037 -1.884 2.893 -2.044 1.00 0.00 C ATOM 154 O PRO A2037 -1.875 2.450 -0.875 1.00 0.00 O ATOM 155 CB PRO A2037 -3.389 1.326 -3.328 1.00 0.00 C ATOM 156 CG PRO A2037 -3.231 -0.001 -2.686 1.00 0.00 C ATOM 157 CD PRO A2037 -1.829 -0.442 -2.970 1.00 0.00 C ATOM 0 HA PRO A2037 -1.765 2.577 -4.121 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -4.131 1.932 -2.808 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -3.724 1.229 -4.361 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -3.408 0.063 -1.612 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -3.951 -0.715 -3.086 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -1.425 -1.047 -2.158 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -1.773 -1.047 -3.875 1.00 0.00 H new ATOM 165 N VAL A2038 -1.782 4.158 -2.315 1.00 0.00 N ATOM 166 CA VAL A2038 -1.627 5.150 -1.286 1.00 0.00 C ATOM 167 C VAL A2038 -2.697 6.203 -1.418 1.00 0.00 C ATOM 168 O VAL A2038 -3.241 6.413 -2.508 1.00 0.00 O ATOM 169 CB VAL A2038 -0.223 5.827 -1.320 1.00 0.00 C ATOM 170 CG1 VAL A2038 0.875 4.834 -0.966 1.00 0.00 C ATOM 171 CG2 VAL A2038 0.050 6.447 -2.685 1.00 0.00 C ATOM 0 H VAL A2038 -1.804 4.538 -3.261 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.723 4.636 -0.329 1.00 0.00 H new ATOM 0 HB VAL A2038 -0.223 6.620 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A2038 1.843 5.335 -0.998 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.702 4.442 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.868 4.013 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A2038 1.035 6.913 -2.683 1.00 0.00 H new ATOM 0 HG22 VAL A2038 0.017 5.671 -3.450 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.707 7.201 -2.900 1.00 0.00 H new ATOM 181 N ILE A2039 -3.011 6.842 -0.338 1.00 0.00 N ATOM 182 CA ILE A2039 -3.987 7.886 -0.341 1.00 0.00 C ATOM 183 C ILE A2039 -3.440 9.113 0.368 1.00 0.00 C ATOM 184 O ILE A2039 -2.820 9.008 1.438 1.00 0.00 O ATOM 185 CB ILE A2039 -5.353 7.431 0.288 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.394 8.577 0.238 1.00 0.00 C ATOM 187 CG2 ILE A2039 -5.170 6.902 1.718 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.769 8.212 0.764 1.00 0.00 C ATOM 0 H ILE A2039 -2.597 6.655 0.575 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.195 8.140 -1.380 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.735 6.605 -0.313 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -6.013 9.420 0.814 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.493 8.914 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -6.136 6.597 2.120 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -4.496 6.046 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.748 7.687 2.345 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.429 9.076 0.689 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -8.178 7.391 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.690 7.906 1.807 1.00 0.00 H new ATOM 200 N ASN A2040 -3.590 10.242 -0.263 1.00 0.00 N ATOM 201 CA ASN A2040 -3.207 11.506 0.320 1.00 0.00 C ATOM 202 C ASN A2040 -4.294 11.894 1.293 1.00 0.00 C ATOM 203 O ASN A2040 -5.434 12.101 0.892 1.00 0.00 O ATOM 204 CB ASN A2040 -3.062 12.574 -0.782 1.00 0.00 C ATOM 205 CG ASN A2040 -2.571 13.939 -0.288 1.00 0.00 C ATOM 206 OD1 ASN A2040 -2.816 14.353 0.841 1.00 0.00 O ATOM 207 ND2 ASN A2040 -1.902 14.650 -1.146 1.00 0.00 N ATOM 0 H ASN A2040 -3.983 10.317 -1.201 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.247 11.426 0.831 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -2.369 12.205 -1.538 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -4.027 12.705 -1.271 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -1.566 15.578 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -1.713 14.280 -2.078 1.00 0.00 H new ATOM 214 N LYS A2041 -3.949 11.992 2.552 1.00 0.00 N ATOM 215 CA LYS A2041 -4.911 12.286 3.609 1.00 0.00 C ATOM 216 C LYS A2041 -5.483 13.696 3.501 1.00 0.00 C ATOM 217 O LYS A2041 -6.599 13.961 3.963 1.00 0.00 O ATOM 218 CB LYS A2041 -4.287 12.083 4.985 1.00 0.00 C ATOM 219 CG LYS A2041 -3.937 10.641 5.306 1.00 0.00 C ATOM 220 CD LYS A2041 -3.360 10.530 6.704 1.00 0.00 C ATOM 221 CE LYS A2041 -3.133 9.085 7.106 1.00 0.00 C ATOM 222 NZ LYS A2041 -2.576 8.961 8.472 1.00 0.00 N ATOM 0 H LYS A2041 -2.992 11.871 2.884 1.00 0.00 H new ATOM 0 HA LYS A2041 -5.736 11.585 3.481 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -3.383 12.688 5.054 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -4.977 12.454 5.742 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -4.828 10.018 5.224 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -3.217 10.265 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -2.416 11.073 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -4.037 11.003 7.415 1.00 0.00 H new ATOM 0 HE2 LYS A2041 -4.077 8.543 7.051 1.00 0.00 H new ATOM 0 HE3 LYS A2041 -2.453 8.615 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 -2.439 7.956 8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 -1.662 9.455 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 -3.235 9.385 9.156 1.00 0.00 H new ATOM 236 N VAL A2042 -4.743 14.578 2.894 1.00 0.00 N ATOM 237 CA VAL A2042 -5.160 15.957 2.758 1.00 0.00 C ATOM 238 C VAL A2042 -6.062 16.106 1.547 1.00 0.00 C ATOM 239 O VAL A2042 -7.232 16.473 1.663 1.00 0.00 O ATOM 240 CB VAL A2042 -3.942 16.899 2.592 1.00 0.00 C ATOM 241 CG1 VAL A2042 -4.378 18.356 2.531 1.00 0.00 C ATOM 242 CG2 VAL A2042 -2.938 16.685 3.705 1.00 0.00 C ATOM 0 H VAL A2042 -3.835 14.370 2.478 1.00 0.00 H new ATOM 0 HA VAL A2042 -5.697 16.233 3.666 1.00 0.00 H new ATOM 0 HB VAL A2042 -3.459 16.654 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -3.502 18.993 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -5.047 18.500 1.683 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -4.898 18.619 3.452 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -2.092 17.358 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -3.411 16.890 4.666 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -2.588 15.653 3.686 1.00 0.00 H new ATOM 252 N ASP A2043 -5.529 15.762 0.403 1.00 0.00 N ATOM 253 CA ASP A2043 -6.221 15.939 -0.863 1.00 0.00 C ATOM 254 C ASP A2043 -7.315 14.926 -1.073 1.00 0.00 C ATOM 255 O ASP A2043 -8.331 15.231 -1.678 1.00 0.00 O ATOM 256 CB ASP A2043 -5.251 15.868 -2.032 1.00 0.00 C ATOM 257 CG ASP A2043 -4.330 17.050 -2.137 1.00 0.00 C ATOM 258 OD1 ASP A2043 -3.319 17.095 -1.432 1.00 0.00 O ATOM 259 OD2 ASP A2043 -4.584 17.933 -2.968 1.00 0.00 O ATOM 0 H ASP A2043 -4.600 15.349 0.315 1.00 0.00 H new ATOM 0 HA ASP A2043 -6.677 16.928 -0.819 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -4.653 14.962 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -5.820 15.781 -2.958 1.00 0.00 H new ATOM 264 N GLY A2044 -7.093 13.720 -0.610 1.00 0.00 N ATOM 265 CA GLY A2044 -8.052 12.658 -0.798 1.00 0.00 C ATOM 266 C GLY A2044 -7.677 11.830 -2.001 1.00 0.00 C ATOM 267 O GLY A2044 -8.333 10.842 -2.326 1.00 0.00 O ATOM 0 H GLY A2044 -6.253 13.448 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -8.087 12.028 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -9.049 13.077 -0.932 1.00 0.00 H new ATOM 271 N THR A2045 -6.600 12.246 -2.642 1.00 0.00 N ATOM 272 CA THR A2045 -6.091 11.626 -3.824 1.00 0.00 C ATOM 273 C THR A2045 -5.620 10.194 -3.547 1.00 0.00 C ATOM 274 O THR A2045 -4.626 9.975 -2.840 1.00 0.00 O ATOM 275 CB THR A2045 -4.933 12.471 -4.387 1.00 0.00 C ATOM 276 OG1 THR A2045 -5.367 13.841 -4.473 1.00 0.00 O ATOM 277 CG2 THR A2045 -4.524 11.989 -5.775 1.00 0.00 C ATOM 0 H THR A2045 -6.049 13.048 -2.336 1.00 0.00 H new ATOM 0 HA THR A2045 -6.894 11.571 -4.559 1.00 0.00 H new ATOM 0 HB THR A2045 -4.072 12.376 -3.725 1.00 0.00 H new ATOM 0 HG1 THR A2045 -4.639 14.393 -4.829 1.00 0.00 H new ATOM 0 HG21 THR A2045 -3.705 12.604 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A2045 -4.201 10.950 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A2045 -5.374 12.068 -6.453 1.00 0.00 H new ATOM 285 N LEU A2046 -6.369 9.250 -4.055 1.00 0.00 N ATOM 286 CA LEU A2046 -6.052 7.857 -3.941 1.00 0.00 C ATOM 287 C LEU A2046 -5.327 7.423 -5.203 1.00 0.00 C ATOM 288 O LEU A2046 -5.810 7.657 -6.320 1.00 0.00 O ATOM 289 CB LEU A2046 -7.338 7.039 -3.755 1.00 0.00 C ATOM 290 CG LEU A2046 -7.183 5.516 -3.668 1.00 0.00 C ATOM 291 CD1 LEU A2046 -6.377 5.106 -2.446 1.00 0.00 C ATOM 292 CD2 LEU A2046 -8.541 4.842 -3.666 1.00 0.00 C ATOM 0 H LEU A2046 -7.231 9.435 -4.568 1.00 0.00 H new ATOM 0 HA LEU A2046 -5.413 7.688 -3.074 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.830 7.383 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -8.007 7.265 -4.585 1.00 0.00 H new ATOM 0 HG LEU A2046 -6.633 5.187 -4.550 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -6.287 4.020 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -5.383 5.551 -2.500 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.882 5.453 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -8.411 3.762 -3.604 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -9.118 5.188 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -9.072 5.091 -4.585 1.00 0.00 H new ATOM 304 N LEU A2047 -4.191 6.822 -5.035 1.00 0.00 N ATOM 305 CA LEU A2047 -3.391 6.362 -6.137 1.00 0.00 C ATOM 306 C LEU A2047 -3.416 4.863 -6.155 1.00 0.00 C ATOM 307 O LEU A2047 -2.975 4.220 -5.202 1.00 0.00 O ATOM 308 CB LEU A2047 -1.946 6.868 -6.011 1.00 0.00 C ATOM 309 CG LEU A2047 -1.753 8.391 -5.978 1.00 0.00 C ATOM 310 CD1 LEU A2047 -0.284 8.734 -5.812 1.00 0.00 C ATOM 311 CD2 LEU A2047 -2.307 9.039 -7.240 1.00 0.00 C ATOM 0 H LEU A2047 -3.784 6.632 -4.119 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.800 6.752 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.517 6.450 -5.101 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -1.371 6.469 -6.847 1.00 0.00 H new ATOM 0 HG LEU A2047 -2.305 8.783 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A2047 -0.163 9.817 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.086 8.309 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.282 8.323 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -2.158 10.118 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -1.788 8.640 -8.112 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -3.372 8.824 -7.322 1.00 0.00 H new ATOM 323 N VAL A2048 -3.973 4.311 -7.198 1.00 0.00 N ATOM 324 CA VAL A2048 -4.060 2.879 -7.365 1.00 0.00 C ATOM 325 C VAL A2048 -3.439 2.505 -8.683 1.00 0.00 C ATOM 326 O VAL A2048 -3.227 3.375 -9.545 1.00 0.00 O ATOM 327 CB VAL A2048 -5.526 2.351 -7.328 1.00 0.00 C ATOM 328 CG1 VAL A2048 -6.169 2.616 -5.982 1.00 0.00 C ATOM 329 CG2 VAL A2048 -6.364 2.964 -8.453 1.00 0.00 C ATOM 0 H VAL A2048 -4.384 4.844 -7.965 1.00 0.00 H new ATOM 0 HA VAL A2048 -3.530 2.421 -6.530 1.00 0.00 H new ATOM 0 HB VAL A2048 -5.489 1.272 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -7.191 2.237 -5.986 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -5.599 2.113 -5.201 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -6.181 3.689 -5.789 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -7.382 2.577 -8.401 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -6.382 4.048 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -5.925 2.704 -9.416 1.00 0.00 H new ATOM 339 N GLY A2049 -3.130 1.246 -8.842 1.00 0.00 N ATOM 340 CA GLY A2049 -2.551 0.794 -10.061 1.00 0.00 C ATOM 341 C GLY A2049 -1.147 1.282 -10.167 1.00 0.00 C ATOM 342 O GLY A2049 -0.521 1.580 -9.154 1.00 0.00 O ATOM 0 H GLY A2049 -3.273 0.522 -8.138 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -2.571 -0.295 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -3.136 1.155 -10.907 1.00 0.00 H new ATOM 346 N GLU A2050 -0.668 1.462 -11.355 1.00 0.00 N ATOM 347 CA GLU A2050 0.714 1.844 -11.528 1.00 0.00 C ATOM 348 C GLU A2050 0.933 3.350 -11.426 1.00 0.00 C ATOM 349 O GLU A2050 1.980 3.875 -11.813 1.00 0.00 O ATOM 350 CB GLU A2050 1.318 1.221 -12.774 1.00 0.00 C ATOM 351 CG GLU A2050 1.294 -0.299 -12.711 1.00 0.00 C ATOM 352 CD GLU A2050 2.270 -0.936 -13.644 1.00 0.00 C ATOM 353 OE1 GLU A2050 3.459 -0.948 -13.325 1.00 0.00 O ATOM 354 OE2 GLU A2050 1.861 -1.459 -14.691 1.00 0.00 O ATOM 0 H GLU A2050 -1.200 1.354 -12.219 1.00 0.00 H new ATOM 0 HA GLU A2050 1.266 1.428 -10.685 1.00 0.00 H new ATOM 0 HB2 GLU A2050 0.768 1.558 -13.653 1.00 0.00 H new ATOM 0 HB3 GLU A2050 2.346 1.564 -12.891 1.00 0.00 H new ATOM 0 HG2 GLU A2050 1.512 -0.619 -11.692 1.00 0.00 H new ATOM 0 HG3 GLU A2050 0.290 -0.651 -12.948 1.00 0.00 H new ATOM 361 N ASP A2051 -0.053 4.025 -10.857 1.00 0.00 N ATOM 362 CA ASP A2051 0.043 5.431 -10.522 1.00 0.00 C ATOM 363 C ASP A2051 0.578 5.529 -9.112 1.00 0.00 C ATOM 364 O ASP A2051 1.069 6.571 -8.674 1.00 0.00 O ATOM 365 CB ASP A2051 -1.336 6.097 -10.589 1.00 0.00 C ATOM 366 CG ASP A2051 -1.915 6.119 -11.976 1.00 0.00 C ATOM 367 OD1 ASP A2051 -2.526 5.117 -12.396 1.00 0.00 O ATOM 368 OD2 ASP A2051 -1.752 7.140 -12.703 1.00 0.00 O ATOM 0 H ASP A2051 -0.950 3.605 -10.614 1.00 0.00 H new ATOM 0 HA ASP A2051 0.700 5.937 -11.229 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -2.020 5.569 -9.925 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -1.257 7.119 -10.219 1.00 0.00 H new ATOM 373 N ALA A2052 0.484 4.412 -8.415 1.00 0.00 N ATOM 374 CA ALA A2052 0.948 4.273 -7.061 1.00 0.00 C ATOM 375 C ALA A2052 2.378 3.741 -7.090 1.00 0.00 C ATOM 376 O ALA A2052 2.768 3.079 -8.062 1.00 0.00 O ATOM 377 CB ALA A2052 0.022 3.323 -6.311 1.00 0.00 C ATOM 0 H ALA A2052 0.071 3.558 -8.791 1.00 0.00 H new ATOM 0 HA ALA A2052 0.941 5.234 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.368 3.213 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -0.991 3.726 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA A2052 0.025 2.349 -6.801 1.00 0.00 H new ATOM 383 N PRO A2053 3.193 4.046 -6.076 1.00 0.00 N ATOM 384 CA PRO A2053 4.589 3.608 -6.031 1.00 0.00 C ATOM 385 C PRO A2053 4.739 2.114 -5.711 1.00 0.00 C ATOM 386 O PRO A2053 3.865 1.499 -5.087 1.00 0.00 O ATOM 387 CB PRO A2053 5.173 4.447 -4.891 1.00 0.00 C ATOM 388 CG PRO A2053 4.020 4.681 -3.986 1.00 0.00 C ATOM 389 CD PRO A2053 2.825 4.831 -4.878 1.00 0.00 C ATOM 0 HA PRO A2053 5.084 3.739 -6.993 1.00 0.00 H new ATOM 0 HB2 PRO A2053 5.979 3.920 -4.381 1.00 0.00 H new ATOM 0 HB3 PRO A2053 5.588 5.385 -5.259 1.00 0.00 H new ATOM 0 HG2 PRO A2053 3.890 3.848 -3.295 1.00 0.00 H new ATOM 0 HG3 PRO A2053 4.172 5.576 -3.382 1.00 0.00 H new ATOM 0 HD2 PRO A2053 1.921 4.446 -4.407 1.00 0.00 H new ATOM 0 HD3 PRO A2053 2.636 5.876 -5.124 1.00 0.00 H new ATOM 397 N ARG A2054 5.843 1.538 -6.138 1.00 0.00 N ATOM 398 CA ARG A2054 6.137 0.153 -5.842 1.00 0.00 C ATOM 399 C ARG A2054 6.489 0.032 -4.387 1.00 0.00 C ATOM 400 O ARG A2054 7.022 0.962 -3.804 1.00 0.00 O ATOM 401 CB ARG A2054 7.332 -0.312 -6.646 1.00 0.00 C ATOM 402 CG ARG A2054 7.157 -0.197 -8.125 1.00 0.00 C ATOM 403 CD ARG A2054 8.469 -0.439 -8.817 1.00 0.00 C ATOM 404 NE ARG A2054 8.364 -0.240 -10.245 1.00 0.00 N ATOM 405 CZ ARG A2054 8.573 0.927 -10.866 1.00 0.00 C ATOM 406 NH1 ARG A2054 8.708 2.070 -10.163 1.00 0.00 N ATOM 407 NH2 ARG A2054 8.590 0.963 -12.180 1.00 0.00 N ATOM 0 H ARG A2054 6.555 2.011 -6.694 1.00 0.00 H new ATOM 0 HA ARG A2054 5.265 -0.452 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A2054 8.205 0.269 -6.348 1.00 0.00 H new ATOM 0 HB3 ARG A2054 7.542 -1.352 -6.396 1.00 0.00 H new ATOM 0 HG2 ARG A2054 6.416 -0.919 -8.469 1.00 0.00 H new ATOM 0 HG3 ARG A2054 6.779 0.793 -8.379 1.00 0.00 H new ATOM 0 HD2 ARG A2054 9.225 0.233 -8.410 1.00 0.00 H new ATOM 0 HD3 ARG A2054 8.805 -1.456 -8.615 1.00 0.00 H new ATOM 0 HE ARG A2054 8.113 -1.045 -10.819 1.00 0.00 H new ATOM 0 HH11 ARG A2054 8.651 2.052 -9.145 1.00 0.00 H new ATOM 0 HH12 ARG A2054 8.867 2.952 -10.650 1.00 0.00 H new ATOM 0 HH21 ARG A2054 8.445 0.107 -12.716 1.00 0.00 H new ATOM 0 HH22 ARG A2054 8.748 1.847 -12.664 1.00 0.00 H new ATOM 421 N ARG A2055 6.223 -1.106 -3.818 1.00 0.00 N ATOM 422 CA ARG A2055 6.556 -1.382 -2.432 1.00 0.00 C ATOM 423 C ARG A2055 8.070 -1.200 -2.172 1.00 0.00 C ATOM 424 O ARG A2055 8.470 -0.751 -1.115 1.00 0.00 O ATOM 425 CB ARG A2055 6.104 -2.794 -2.062 1.00 0.00 C ATOM 426 CG ARG A2055 6.510 -3.242 -0.680 1.00 0.00 C ATOM 427 CD ARG A2055 5.864 -2.432 0.437 1.00 0.00 C ATOM 428 NE ARG A2055 6.487 -2.736 1.725 1.00 0.00 N ATOM 429 CZ ARG A2055 5.926 -3.352 2.773 1.00 0.00 C ATOM 430 NH1 ARG A2055 4.684 -3.821 2.708 1.00 0.00 N ATOM 431 NH2 ARG A2055 6.630 -3.520 3.875 1.00 0.00 N ATOM 0 H ARG A2055 5.766 -1.882 -4.297 1.00 0.00 H new ATOM 0 HA ARG A2055 6.030 -0.667 -1.800 1.00 0.00 H new ATOM 0 HB2 ARG A2055 5.018 -2.846 -2.142 1.00 0.00 H new ATOM 0 HB3 ARG A2055 6.512 -3.494 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A2055 6.246 -4.292 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG A2055 7.594 -3.172 -0.588 1.00 0.00 H new ATOM 0 HD2 ARG A2055 5.961 -1.368 0.223 1.00 0.00 H new ATOM 0 HD3 ARG A2055 4.798 -2.653 0.483 1.00 0.00 H new ATOM 0 HE ARG A2055 7.458 -2.446 1.837 1.00 0.00 H new ATOM 0 HH11 ARG A2055 4.143 -3.714 1.850 1.00 0.00 H new ATOM 0 HH12 ARG A2055 4.272 -4.288 3.516 1.00 0.00 H new ATOM 0 HH21 ARG A2055 7.591 -3.182 3.923 1.00 0.00 H new ATOM 0 HH22 ARG A2055 6.213 -3.988 4.680 1.00 0.00 H new ATOM 445 N ALA A2056 8.880 -1.519 -3.160 1.00 0.00 N ATOM 446 CA ALA A2056 10.326 -1.378 -3.059 1.00 0.00 C ATOM 447 C ALA A2056 10.744 0.087 -2.876 1.00 0.00 C ATOM 448 O ALA A2056 11.697 0.384 -2.159 1.00 0.00 O ATOM 449 CB ALA A2056 11.001 -1.971 -4.282 1.00 0.00 C ATOM 0 H ALA A2056 8.559 -1.884 -4.057 1.00 0.00 H new ATOM 0 HA ALA A2056 10.649 -1.925 -2.173 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.081 -1.858 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A2056 10.752 -3.029 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.655 -1.452 -5.176 1.00 0.00 H new ATOM 455 N GLU A2057 10.011 0.994 -3.481 1.00 0.00 N ATOM 456 CA GLU A2057 10.361 2.402 -3.421 1.00 0.00 C ATOM 457 C GLU A2057 9.468 3.124 -2.412 1.00 0.00 C ATOM 458 O GLU A2057 9.676 4.287 -2.119 1.00 0.00 O ATOM 459 CB GLU A2057 10.211 3.044 -4.811 1.00 0.00 C ATOM 460 CG GLU A2057 8.773 3.113 -5.307 1.00 0.00 C ATOM 461 CD GLU A2057 8.627 3.647 -6.706 1.00 0.00 C ATOM 462 OE1 GLU A2057 8.918 4.836 -6.942 1.00 0.00 O ATOM 463 OE2 GLU A2057 8.155 2.903 -7.590 1.00 0.00 O ATOM 0 H GLU A2057 9.170 0.787 -4.020 1.00 0.00 H new ATOM 0 HA GLU A2057 11.399 2.492 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A2057 10.623 4.053 -4.781 1.00 0.00 H new ATOM 0 HB3 GLU A2057 10.805 2.478 -5.528 1.00 0.00 H new ATOM 0 HG2 GLU A2057 8.338 2.115 -5.264 1.00 0.00 H new ATOM 0 HG3 GLU A2057 8.196 3.742 -4.628 1.00 0.00 H new ATOM 470 N LEU A2058 8.512 2.392 -1.866 1.00 0.00 N ATOM 471 CA LEU A2058 7.469 2.917 -0.982 1.00 0.00 C ATOM 472 C LEU A2058 8.059 3.663 0.226 1.00 0.00 C ATOM 473 O LEU A2058 7.703 4.813 0.470 1.00 0.00 O ATOM 474 CB LEU A2058 6.506 1.747 -0.596 1.00 0.00 C ATOM 475 CG LEU A2058 5.224 2.018 0.235 1.00 0.00 C ATOM 476 CD1 LEU A2058 5.527 2.327 1.687 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.389 3.123 -0.395 1.00 0.00 C ATOM 0 H LEU A2058 8.432 1.388 -2.026 1.00 0.00 H new ATOM 0 HA LEU A2058 6.884 3.674 -1.505 1.00 0.00 H new ATOM 0 HB2 LEU A2058 6.192 1.271 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A2058 7.096 1.014 -0.046 1.00 0.00 H new ATOM 0 HG LEU A2058 4.642 1.097 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A2058 4.595 2.509 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A2058 6.046 1.481 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A2058 6.158 3.214 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.496 3.293 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A2058 4.975 4.041 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A2058 4.096 2.828 -1.403 1.00 0.00 H new ATOM 489 N GLU A2059 8.972 3.025 0.943 1.00 0.00 N ATOM 490 CA GLU A2059 9.632 3.648 2.105 1.00 0.00 C ATOM 491 C GLU A2059 10.377 4.946 1.731 1.00 0.00 C ATOM 492 O GLU A2059 10.382 5.920 2.489 1.00 0.00 O ATOM 493 CB GLU A2059 10.580 2.655 2.781 1.00 0.00 C ATOM 494 CG GLU A2059 11.588 2.012 1.839 1.00 0.00 C ATOM 495 CD GLU A2059 12.489 1.028 2.536 1.00 0.00 C ATOM 496 OE1 GLU A2059 12.014 -0.063 2.901 1.00 0.00 O ATOM 497 OE2 GLU A2059 13.695 1.319 2.711 1.00 0.00 O ATOM 0 H GLU A2059 9.281 2.073 0.748 1.00 0.00 H new ATOM 0 HA GLU A2059 8.848 3.923 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A2059 11.120 3.169 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A2059 9.989 1.870 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A2059 11.055 1.504 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A2059 12.195 2.790 1.377 1.00 0.00 H new ATOM 504 N MET A2060 10.962 4.955 0.562 1.00 0.00 N ATOM 505 CA MET A2060 11.704 6.102 0.065 1.00 0.00 C ATOM 506 C MET A2060 10.733 7.199 -0.355 1.00 0.00 C ATOM 507 O MET A2060 10.937 8.385 -0.070 1.00 0.00 O ATOM 508 CB MET A2060 12.560 5.672 -1.136 1.00 0.00 C ATOM 509 CG MET A2060 13.390 6.781 -1.762 1.00 0.00 C ATOM 510 SD MET A2060 14.289 6.215 -3.214 1.00 0.00 S ATOM 511 CE MET A2060 15.188 7.703 -3.650 1.00 0.00 C ATOM 0 H MET A2060 10.941 4.165 -0.083 1.00 0.00 H new ATOM 0 HA MET A2060 12.353 6.486 0.852 1.00 0.00 H new ATOM 0 HB2 MET A2060 13.229 4.873 -0.818 1.00 0.00 H new ATOM 0 HB3 MET A2060 11.904 5.254 -1.900 1.00 0.00 H new ATOM 0 HG2 MET A2060 12.738 7.609 -2.040 1.00 0.00 H new ATOM 0 HG3 MET A2060 14.096 7.165 -1.026 1.00 0.00 H new ATOM 0 HE1 MET A2060 15.796 7.515 -4.535 1.00 0.00 H new ATOM 0 HE2 MET A2060 14.482 8.507 -3.859 1.00 0.00 H new ATOM 0 HE3 MET A2060 15.834 7.994 -2.822 1.00 0.00 H new ATOM 521 N TRP A2061 9.670 6.781 -0.994 1.00 0.00 N ATOM 522 CA TRP A2061 8.662 7.661 -1.525 1.00 0.00 C ATOM 523 C TRP A2061 7.879 8.345 -0.395 1.00 0.00 C ATOM 524 O TRP A2061 7.741 9.568 -0.397 1.00 0.00 O ATOM 525 CB TRP A2061 7.734 6.858 -2.443 1.00 0.00 C ATOM 526 CG TRP A2061 6.797 7.685 -3.257 1.00 0.00 C ATOM 527 CD1 TRP A2061 7.080 8.310 -4.432 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.427 7.962 -2.971 1.00 0.00 C ATOM 529 NE1 TRP A2061 5.971 8.959 -4.897 1.00 0.00 N ATOM 530 CE2 TRP A2061 4.942 8.768 -4.018 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.565 7.614 -1.932 1.00 0.00 C ATOM 532 CZ2 TRP A2061 3.634 9.225 -4.059 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.266 8.071 -1.976 1.00 0.00 C ATOM 534 CH2 TRP A2061 2.813 8.870 -3.031 1.00 0.00 C ATOM 0 H TRP A2061 9.477 5.794 -1.163 1.00 0.00 H new ATOM 0 HA TRP A2061 9.138 8.452 -2.105 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.343 6.255 -3.116 1.00 0.00 H new ATOM 0 HB3 TRP A2061 7.152 6.166 -1.834 1.00 0.00 H new ATOM 0 HD1 TRP A2061 8.041 8.295 -4.925 1.00 0.00 H new ATOM 0 HE1 TRP A2061 5.919 9.499 -5.761 1.00 0.00 H new ATOM 0 HE3 TRP A2061 4.908 7.001 -1.112 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.279 9.839 -4.874 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.584 7.807 -1.181 1.00 0.00 H new ATOM 0 HH2 TRP A2061 1.789 9.213 -3.031 1.00 0.00 H new ATOM 545 N LEU A2062 7.404 7.553 0.575 1.00 0.00 N ATOM 546 CA LEU A2062 6.640 8.067 1.727 1.00 0.00 C ATOM 547 C LEU A2062 7.431 9.037 2.576 1.00 0.00 C ATOM 548 O LEU A2062 6.855 9.932 3.189 1.00 0.00 O ATOM 549 CB LEU A2062 6.032 6.969 2.599 1.00 0.00 C ATOM 550 CG LEU A2062 4.846 6.195 2.019 1.00 0.00 C ATOM 551 CD1 LEU A2062 4.301 5.241 3.059 1.00 0.00 C ATOM 552 CD2 LEU A2062 3.744 7.141 1.563 1.00 0.00 C ATOM 0 H LEU A2062 7.536 6.542 0.587 1.00 0.00 H new ATOM 0 HA LEU A2062 5.813 8.615 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A2062 6.818 6.253 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A2062 5.714 7.420 3.539 1.00 0.00 H new ATOM 0 HG LEU A2062 5.195 5.634 1.152 1.00 0.00 H new ATOM 0 HD11 LEU A2062 3.457 4.692 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A2062 5.081 4.539 3.353 1.00 0.00 H new ATOM 0 HD13 LEU A2062 3.972 5.804 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A2062 2.914 6.563 1.155 1.00 0.00 H new ATOM 0 HD22 LEU A2062 3.395 7.729 2.412 1.00 0.00 H new ATOM 0 HD23 LEU A2062 4.133 7.809 0.795 1.00 0.00 H new ATOM 564 N GLN A2063 8.739 8.833 2.653 1.00 0.00 N ATOM 565 CA GLN A2063 9.613 9.716 3.393 1.00 0.00 C ATOM 566 C GLN A2063 9.483 11.156 2.864 1.00 0.00 C ATOM 567 O GLN A2063 9.474 12.118 3.630 1.00 0.00 O ATOM 568 CB GLN A2063 11.051 9.232 3.268 1.00 0.00 C ATOM 569 CG GLN A2063 12.026 10.023 4.093 1.00 0.00 C ATOM 570 CD GLN A2063 13.446 9.523 3.974 1.00 0.00 C ATOM 571 OE1 GLN A2063 13.872 8.653 4.725 1.00 0.00 O ATOM 572 NE2 GLN A2063 14.188 10.059 3.048 1.00 0.00 N ATOM 0 H GLN A2063 9.217 8.052 2.204 1.00 0.00 H new ATOM 0 HA GLN A2063 9.326 9.708 4.445 1.00 0.00 H new ATOM 0 HB2 GLN A2063 11.100 8.185 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A2063 11.352 9.279 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A2063 11.988 11.068 3.786 1.00 0.00 H new ATOM 0 HG3 GLN A2063 11.721 9.987 5.139 1.00 0.00 H new ATOM 0 HE21 GLN A2063 13.802 10.781 2.440 1.00 0.00 H new ATOM 0 HE22 GLN A2063 15.155 9.757 2.931 1.00 0.00 H new ATOM 581 N GLY A2064 9.321 11.279 1.557 1.00 0.00 N ATOM 582 CA GLY A2064 9.176 12.579 0.941 1.00 0.00 C ATOM 583 C GLY A2064 7.726 12.897 0.621 1.00 0.00 C ATOM 584 O GLY A2064 7.434 13.878 -0.064 1.00 0.00 O ATOM 0 H GLY A2064 9.287 10.494 0.907 1.00 0.00 H new ATOM 0 HA2 GLY A2064 9.576 13.343 1.608 1.00 0.00 H new ATOM 0 HA3 GLY A2064 9.766 12.614 0.025 1.00 0.00 H new ATOM 588 N HIS A2065 6.829 12.060 1.107 1.00 0.00 N ATOM 589 CA HIS A2065 5.384 12.213 0.890 1.00 0.00 C ATOM 590 C HIS A2065 4.613 11.774 2.142 1.00 0.00 C ATOM 591 O HIS A2065 3.850 10.811 2.096 1.00 0.00 O ATOM 592 CB HIS A2065 4.898 11.379 -0.324 1.00 0.00 C ATOM 593 CG HIS A2065 5.362 11.855 -1.668 1.00 0.00 C ATOM 594 ND1 HIS A2065 6.521 11.432 -2.279 1.00 0.00 N ATOM 595 CD2 HIS A2065 4.774 12.709 -2.532 1.00 0.00 C ATOM 596 CE1 HIS A2065 6.606 12.031 -3.472 1.00 0.00 C ATOM 597 NE2 HIS A2065 5.562 12.821 -3.679 1.00 0.00 N ATOM 0 H HIS A2065 7.074 11.245 1.669 1.00 0.00 H new ATOM 0 HA HIS A2065 5.194 13.266 0.685 1.00 0.00 H new ATOM 0 HB2 HIS A2065 5.229 10.349 -0.190 1.00 0.00 H new ATOM 0 HB3 HIS A2065 3.808 11.367 -0.320 1.00 0.00 H new ATOM 0 HD1 HIS A2065 7.198 10.776 -1.889 1.00 0.00 H new ATOM 0 HD2 HIS A2065 3.840 13.225 -2.363 1.00 0.00 H new ATOM 0 HE1 HIS A2065 7.416 11.890 -4.172 1.00 0.00 H new ATOM 605 N PRO A2066 4.784 12.469 3.288 1.00 0.00 N ATOM 606 CA PRO A2066 4.170 12.054 4.546 1.00 0.00 C ATOM 607 C PRO A2066 2.677 12.373 4.629 1.00 0.00 C ATOM 608 O PRO A2066 2.003 12.010 5.606 1.00 0.00 O ATOM 609 CB PRO A2066 4.950 12.833 5.598 1.00 0.00 C ATOM 610 CG PRO A2066 5.372 14.076 4.902 1.00 0.00 C ATOM 611 CD PRO A2066 5.579 13.711 3.455 1.00 0.00 C ATOM 0 HA PRO A2066 4.217 10.972 4.672 1.00 0.00 H new ATOM 0 HB2 PRO A2066 4.331 13.055 6.467 1.00 0.00 H new ATOM 0 HB3 PRO A2066 5.810 12.266 5.955 1.00 0.00 H new ATOM 0 HG2 PRO A2066 4.613 14.852 5.001 1.00 0.00 H new ATOM 0 HG3 PRO A2066 6.290 14.471 5.337 1.00 0.00 H new ATOM 0 HD2 PRO A2066 5.232 14.501 2.789 1.00 0.00 H new ATOM 0 HD3 PRO A2066 6.633 13.545 3.231 1.00 0.00 H new ATOM 619 N GLU A2067 2.155 13.049 3.627 1.00 0.00 N ATOM 620 CA GLU A2067 0.741 13.352 3.597 1.00 0.00 C ATOM 621 C GLU A2067 -0.002 12.176 2.963 1.00 0.00 C ATOM 622 O GLU A2067 -1.227 12.058 3.061 1.00 0.00 O ATOM 623 CB GLU A2067 0.477 14.643 2.830 1.00 0.00 C ATOM 624 CG GLU A2067 1.309 15.838 3.305 1.00 0.00 C ATOM 625 CD GLU A2067 1.159 16.168 4.776 1.00 0.00 C ATOM 626 OE1 GLU A2067 0.191 16.851 5.149 1.00 0.00 O ATOM 627 OE2 GLU A2067 2.050 15.787 5.583 1.00 0.00 O ATOM 0 H GLU A2067 2.685 13.397 2.828 1.00 0.00 H new ATOM 0 HA GLU A2067 0.380 13.502 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A2067 0.679 14.472 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A2067 -0.580 14.894 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A2067 2.360 15.638 3.097 1.00 0.00 H new ATOM 0 HG3 GLU A2067 1.029 16.714 2.720 1.00 0.00 H new ATOM 634 N PHE A2068 0.760 11.304 2.332 1.00 0.00 N ATOM 635 CA PHE A2068 0.242 10.105 1.731 1.00 0.00 C ATOM 636 C PHE A2068 0.453 8.960 2.685 1.00 0.00 C ATOM 637 O PHE A2068 1.479 8.894 3.357 1.00 0.00 O ATOM 638 CB PHE A2068 0.953 9.787 0.409 1.00 0.00 C ATOM 639 CG PHE A2068 0.674 10.728 -0.733 1.00 0.00 C ATOM 640 CD1 PHE A2068 1.281 11.972 -0.801 1.00 0.00 C ATOM 641 CD2 PHE A2068 -0.188 10.351 -1.749 1.00 0.00 C ATOM 642 CE1 PHE A2068 1.036 12.820 -1.862 1.00 0.00 C ATOM 643 CE2 PHE A2068 -0.435 11.190 -2.813 1.00 0.00 C ATOM 644 CZ PHE A2068 0.177 12.428 -2.870 1.00 0.00 C ATOM 0 H PHE A2068 1.768 11.416 2.225 1.00 0.00 H new ATOM 0 HA PHE A2068 -0.818 10.252 1.522 1.00 0.00 H new ATOM 0 HB2 PHE A2068 2.028 9.776 0.591 1.00 0.00 H new ATOM 0 HB3 PHE A2068 0.672 8.780 0.101 1.00 0.00 H new ATOM 0 HD1 PHE A2068 1.954 12.281 -0.015 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -0.673 9.387 -1.707 1.00 0.00 H new ATOM 0 HE1 PHE A2068 1.515 13.787 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -1.106 10.881 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A2068 -0.016 13.088 -3.702 1.00 0.00 H new ATOM 654 N ALA A2069 -0.502 8.097 2.775 1.00 0.00 N ATOM 655 CA ALA A2069 -0.394 6.934 3.610 1.00 0.00 C ATOM 656 C ALA A2069 -0.934 5.748 2.868 1.00 0.00 C ATOM 657 O ALA A2069 -1.501 5.906 1.783 1.00 0.00 O ATOM 658 CB ALA A2069 -1.142 7.138 4.907 1.00 0.00 C ATOM 0 H ALA A2069 -1.386 8.173 2.272 1.00 0.00 H new ATOM 0 HA ALA A2069 0.654 6.760 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -1.048 6.245 5.526 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -0.723 7.993 5.438 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -2.195 7.323 4.695 1.00 0.00 H new ATOM 664 N VAL A2070 -0.783 4.580 3.440 1.00 0.00 N ATOM 665 CA VAL A2070 -1.229 3.357 2.820 1.00 0.00 C ATOM 666 C VAL A2070 -2.768 3.273 2.796 1.00 0.00 C ATOM 667 O VAL A2070 -3.445 3.659 3.770 1.00 0.00 O ATOM 668 CB VAL A2070 -0.590 2.107 3.517 1.00 0.00 C ATOM 669 CG1 VAL A2070 -0.911 2.068 5.006 1.00 0.00 C ATOM 670 CG2 VAL A2070 -1.007 0.804 2.833 1.00 0.00 C ATOM 0 H VAL A2070 -0.346 4.450 4.352 1.00 0.00 H new ATOM 0 HA VAL A2070 -0.890 3.362 1.784 1.00 0.00 H new ATOM 0 HB VAL A2070 0.491 2.204 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A2070 -0.451 1.187 5.454 1.00 0.00 H new ATOM 0 HG12 VAL A2070 -0.521 2.965 5.486 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -1.991 2.023 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A2070 -0.544 -0.040 3.345 1.00 0.00 H new ATOM 0 HG22 VAL A2070 -2.091 0.703 2.874 1.00 0.00 H new ATOM 0 HG23 VAL A2070 -0.683 0.819 1.792 1.00 0.00 H new ATOM 680 N ASP A2071 -3.288 2.837 1.664 1.00 0.00 N ATOM 681 CA ASP A2071 -4.721 2.668 1.435 1.00 0.00 C ATOM 682 C ASP A2071 -5.363 1.735 2.468 1.00 0.00 C ATOM 683 O ASP A2071 -4.925 0.586 2.640 1.00 0.00 O ATOM 684 CB ASP A2071 -4.948 2.140 0.011 1.00 0.00 C ATOM 685 CG ASP A2071 -6.358 1.667 -0.263 1.00 0.00 C ATOM 686 OD1 ASP A2071 -7.318 2.405 0.015 1.00 0.00 O ATOM 687 OD2 ASP A2071 -6.516 0.540 -0.789 1.00 0.00 O ATOM 0 H ASP A2071 -2.718 2.583 0.857 1.00 0.00 H new ATOM 0 HA ASP A2071 -5.202 3.640 1.547 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -4.698 2.928 -0.700 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.259 1.315 -0.172 1.00 0.00 H new ATOM 692 N PRO A2072 -6.407 2.221 3.187 1.00 0.00 N ATOM 693 CA PRO A2072 -7.129 1.430 4.191 1.00 0.00 C ATOM 694 C PRO A2072 -7.770 0.181 3.593 1.00 0.00 C ATOM 695 O PRO A2072 -7.896 -0.849 4.264 1.00 0.00 O ATOM 696 CB PRO A2072 -8.213 2.383 4.707 1.00 0.00 C ATOM 697 CG PRO A2072 -7.721 3.744 4.368 1.00 0.00 C ATOM 698 CD PRO A2072 -6.941 3.596 3.099 1.00 0.00 C ATOM 0 HA PRO A2072 -6.459 1.069 4.971 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -9.174 2.181 4.234 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -8.358 2.272 5.782 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -8.551 4.438 4.237 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -7.095 4.143 5.166 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -7.573 3.727 2.221 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -6.142 4.334 3.029 1.00 0.00 H new ATOM 706 N ARG A2073 -8.142 0.264 2.330 1.00 0.00 N ATOM 707 CA ARG A2073 -8.726 -0.859 1.631 1.00 0.00 C ATOM 708 C ARG A2073 -7.669 -1.952 1.444 1.00 0.00 C ATOM 709 O ARG A2073 -7.940 -3.138 1.633 1.00 0.00 O ATOM 710 CB ARG A2073 -9.285 -0.399 0.295 1.00 0.00 C ATOM 711 CG ARG A2073 -9.831 -1.499 -0.588 1.00 0.00 C ATOM 712 CD ARG A2073 -10.240 -0.925 -1.918 1.00 0.00 C ATOM 713 NE ARG A2073 -10.613 -1.950 -2.884 1.00 0.00 N ATOM 714 CZ ARG A2073 -10.347 -1.874 -4.191 1.00 0.00 C ATOM 715 NH1 ARG A2073 -9.667 -0.834 -4.680 1.00 0.00 N ATOM 716 NH2 ARG A2073 -10.730 -2.850 -5.004 1.00 0.00 N ATOM 0 H ARG A2073 -8.048 1.108 1.764 1.00 0.00 H new ATOM 0 HA ARG A2073 -9.547 -1.273 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -10.080 0.324 0.481 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -8.499 0.125 -0.249 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -9.076 -2.272 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -10.686 -1.974 -0.107 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -11.080 -0.246 -1.773 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -9.418 -0.333 -2.322 1.00 0.00 H new ATOM 0 HE ARG A2073 -11.107 -2.775 -2.542 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -9.348 -0.094 -4.055 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -9.466 -0.780 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -11.228 -3.659 -4.631 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -10.527 -2.792 -6.002 1.00 0.00 H new ATOM 730 N PHE A2074 -6.462 -1.540 1.113 1.00 0.00 N ATOM 731 CA PHE A2074 -5.340 -2.454 0.979 1.00 0.00 C ATOM 732 C PHE A2074 -5.010 -3.047 2.340 1.00 0.00 C ATOM 733 O PHE A2074 -4.656 -4.227 2.453 1.00 0.00 O ATOM 734 CB PHE A2074 -4.127 -1.734 0.390 1.00 0.00 C ATOM 735 CG PHE A2074 -2.958 -2.632 0.116 1.00 0.00 C ATOM 736 CD1 PHE A2074 -2.980 -3.494 -0.967 1.00 0.00 C ATOM 737 CD2 PHE A2074 -1.835 -2.607 0.926 1.00 0.00 C ATOM 738 CE1 PHE A2074 -1.910 -4.320 -1.236 1.00 0.00 C ATOM 739 CE2 PHE A2074 -0.762 -3.430 0.664 1.00 0.00 C ATOM 740 CZ PHE A2074 -0.800 -4.287 -0.421 1.00 0.00 C ATOM 0 H PHE A2074 -6.229 -0.564 0.929 1.00 0.00 H new ATOM 0 HA PHE A2074 -5.611 -3.259 0.296 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.423 -1.246 -0.539 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -3.815 -0.948 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -3.847 -3.520 -1.610 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -1.800 -1.936 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -1.942 -4.990 -2.082 1.00 0.00 H new ATOM 0 HE2 PHE A2074 0.107 -3.406 1.304 1.00 0.00 H new ATOM 0 HZ PHE A2074 0.042 -4.931 -0.629 1.00 0.00 H new ATOM 750 N LEU A2075 -5.152 -2.228 3.373 1.00 0.00 N ATOM 751 CA LEU A2075 -4.982 -2.694 4.734 1.00 0.00 C ATOM 752 C LEU A2075 -6.004 -3.773 5.038 1.00 0.00 C ATOM 753 O LEU A2075 -5.673 -4.775 5.621 1.00 0.00 O ATOM 754 CB LEU A2075 -5.083 -1.554 5.759 1.00 0.00 C ATOM 755 CG LEU A2075 -3.998 -0.476 5.689 1.00 0.00 C ATOM 756 CD1 LEU A2075 -4.218 0.577 6.764 1.00 0.00 C ATOM 757 CD2 LEU A2075 -2.615 -1.101 5.830 1.00 0.00 C ATOM 0 H LEU A2075 -5.385 -1.238 3.290 1.00 0.00 H new ATOM 0 HA LEU A2075 -3.977 -3.107 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -6.053 -1.071 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -5.067 -1.990 6.758 1.00 0.00 H new ATOM 0 HG LEU A2075 -4.060 0.010 4.715 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -3.436 1.334 6.697 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -5.191 1.046 6.620 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -4.184 0.106 7.747 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -1.856 -0.320 5.778 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -2.543 -1.613 6.789 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -2.455 -1.817 5.024 1.00 0.00 H new ATOM 769 N ALA A2076 -7.232 -3.582 4.567 1.00 0.00 N ATOM 770 CA ALA A2076 -8.308 -4.551 4.761 1.00 0.00 C ATOM 771 C ALA A2076 -7.959 -5.902 4.121 1.00 0.00 C ATOM 772 O ALA A2076 -8.377 -6.944 4.606 1.00 0.00 O ATOM 773 CB ALA A2076 -9.618 -4.014 4.212 1.00 0.00 C ATOM 0 H ALA A2076 -7.510 -2.754 4.041 1.00 0.00 H new ATOM 0 HA ALA A2076 -8.427 -4.712 5.832 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -10.406 -4.751 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -9.878 -3.090 4.729 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -9.511 -3.815 3.146 1.00 0.00 H new ATOM 779 N TYR A2077 -7.188 -5.866 3.038 1.00 0.00 N ATOM 780 CA TYR A2077 -6.698 -7.079 2.395 1.00 0.00 C ATOM 781 C TYR A2077 -5.660 -7.747 3.286 1.00 0.00 C ATOM 782 O TYR A2077 -5.713 -8.946 3.538 1.00 0.00 O ATOM 783 CB TYR A2077 -6.090 -6.747 1.019 1.00 0.00 C ATOM 784 CG TYR A2077 -5.389 -7.914 0.365 1.00 0.00 C ATOM 785 CD1 TYR A2077 -6.091 -9.055 0.023 1.00 0.00 C ATOM 786 CD2 TYR A2077 -4.021 -7.882 0.113 1.00 0.00 C ATOM 787 CE1 TYR A2077 -5.461 -10.133 -0.553 1.00 0.00 C ATOM 788 CE2 TYR A2077 -3.375 -8.960 -0.467 1.00 0.00 C ATOM 789 CZ TYR A2077 -4.101 -10.084 -0.800 1.00 0.00 C ATOM 790 OH TYR A2077 -3.468 -11.168 -1.395 1.00 0.00 O ATOM 0 H TYR A2077 -6.888 -5.003 2.585 1.00 0.00 H new ATOM 0 HA TYR A2077 -7.532 -7.765 2.245 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -6.882 -6.394 0.358 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -5.381 -5.927 1.134 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -7.153 -9.100 0.212 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -3.454 -7.001 0.374 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -6.027 -11.016 -0.812 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -2.313 -8.921 -0.657 1.00 0.00 H new ATOM 0 HH TYR A2077 -2.513 -10.972 -1.500 1.00 0.00 H new ATOM 800 N MET A2078 -4.738 -6.952 3.789 1.00 0.00 N ATOM 801 CA MET A2078 -3.676 -7.457 4.656 1.00 0.00 C ATOM 802 C MET A2078 -4.232 -7.993 5.962 1.00 0.00 C ATOM 803 O MET A2078 -3.775 -9.011 6.465 1.00 0.00 O ATOM 804 CB MET A2078 -2.606 -6.393 4.915 1.00 0.00 C ATOM 805 CG MET A2078 -1.735 -6.106 3.707 1.00 0.00 C ATOM 806 SD MET A2078 -0.784 -7.557 3.208 1.00 0.00 S ATOM 807 CE MET A2078 0.076 -6.929 1.774 1.00 0.00 C ATOM 0 H MET A2078 -4.697 -5.948 3.615 1.00 0.00 H new ATOM 0 HA MET A2078 -3.201 -8.285 4.130 1.00 0.00 H new ATOM 0 HB2 MET A2078 -3.092 -5.470 5.231 1.00 0.00 H new ATOM 0 HB3 MET A2078 -1.973 -6.719 5.741 1.00 0.00 H new ATOM 0 HG2 MET A2078 -2.361 -5.778 2.877 1.00 0.00 H new ATOM 0 HG3 MET A2078 -1.054 -5.286 3.936 1.00 0.00 H new ATOM 0 HE1 MET A2078 0.891 -7.604 1.514 1.00 0.00 H new ATOM 0 HE2 MET A2078 -0.617 -6.858 0.936 1.00 0.00 H new ATOM 0 HE3 MET A2078 0.480 -5.941 1.996 1.00 0.00 H new