USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=4 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 104:sc= 0.177 USER MOD Single : A2040 ASN : amide:sc= 0.128 K(o=0.13,f=-11!) USER MOD Single : A2041 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2045 THR OG1 : rot 180:sc= 0.00252 USER MOD Single : A2060 MET CE :methyl -108:sc= -1.07 (180deg=-3.3!) USER MOD Single : A2063 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.43) USER MOD Single : A2065 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A2077 TYR OH : rot 180:sc= 0 USER MOD Single : A2078 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N LEU A2032 7.252 -7.041 -4.061 1.00 0.00 N ATOM 61 CA LEU A2032 8.047 -5.785 -4.163 1.00 0.00 C ATOM 62 C LEU A2032 7.767 -4.957 -5.416 1.00 0.00 C ATOM 63 O LEU A2032 7.721 -3.724 -5.347 1.00 0.00 O ATOM 64 CB LEU A2032 9.550 -6.024 -4.000 1.00 0.00 C ATOM 65 CG LEU A2032 9.996 -6.612 -2.667 1.00 0.00 C ATOM 66 CD1 LEU A2032 11.493 -6.813 -2.666 1.00 0.00 C ATOM 67 CD2 LEU A2032 9.579 -5.713 -1.510 1.00 0.00 C ATOM 0 HA LEU A2032 7.700 -5.188 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A2032 9.879 -6.691 -4.796 1.00 0.00 H new ATOM 0 HB3 LEU A2032 10.066 -5.075 -4.146 1.00 0.00 H new ATOM 0 HG LEU A2032 9.509 -7.578 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A2032 11.803 -7.234 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A2032 11.769 -7.496 -3.469 1.00 0.00 H new ATOM 0 HD13 LEU A2032 11.989 -5.854 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A2032 9.909 -6.154 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A2032 10.036 -4.731 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A2032 8.494 -5.610 -1.502 1.00 0.00 H new ATOM 79 N GLU A2033 7.593 -5.614 -6.541 1.00 0.00 N ATOM 80 CA GLU A2033 7.277 -4.940 -7.796 1.00 0.00 C ATOM 81 C GLU A2033 5.815 -4.561 -7.836 1.00 0.00 C ATOM 82 O GLU A2033 5.362 -3.839 -8.719 1.00 0.00 O ATOM 83 CB GLU A2033 7.645 -5.804 -9.007 1.00 0.00 C ATOM 84 CG GLU A2033 9.131 -5.824 -9.358 1.00 0.00 C ATOM 85 CD GLU A2033 10.034 -6.319 -8.255 1.00 0.00 C ATOM 86 OE1 GLU A2033 10.300 -7.528 -8.193 1.00 0.00 O ATOM 87 OE2 GLU A2033 10.528 -5.491 -7.450 1.00 0.00 O ATOM 0 H GLU A2033 7.665 -6.628 -6.619 1.00 0.00 H new ATOM 0 HA GLU A2033 7.876 -4.031 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A2033 7.318 -6.826 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A2033 7.087 -5.446 -9.873 1.00 0.00 H new ATOM 0 HG2 GLU A2033 9.274 -6.454 -10.236 1.00 0.00 H new ATOM 0 HG3 GLU A2033 9.438 -4.816 -9.635 1.00 0.00 H new ATOM 94 N THR A2034 5.092 -5.066 -6.881 1.00 0.00 N ATOM 95 CA THR A2034 3.705 -4.797 -6.701 1.00 0.00 C ATOM 96 C THR A2034 3.537 -3.322 -6.319 1.00 0.00 C ATOM 97 O THR A2034 4.415 -2.744 -5.649 1.00 0.00 O ATOM 98 CB THR A2034 3.249 -5.639 -5.529 1.00 0.00 C ATOM 99 OG1 THR A2034 4.139 -6.777 -5.416 1.00 0.00 O ATOM 100 CG2 THR A2034 1.822 -6.124 -5.717 1.00 0.00 C ATOM 0 H THR A2034 5.472 -5.702 -6.180 1.00 0.00 H new ATOM 0 HA THR A2034 3.137 -5.016 -7.606 1.00 0.00 H new ATOM 0 HB THR A2034 3.276 -5.033 -4.623 1.00 0.00 H new ATOM 0 HG1 THR A2034 4.758 -6.635 -4.669 1.00 0.00 H new ATOM 0 HG21 THR A2034 1.526 -6.726 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A2034 1.155 -5.266 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A2034 1.759 -6.728 -6.622 1.00 0.00 H new ATOM 108 N ARG A2035 2.454 -2.725 -6.718 1.00 0.00 N ATOM 109 CA ARG A2035 2.216 -1.353 -6.366 1.00 0.00 C ATOM 110 C ARG A2035 1.211 -1.263 -5.262 1.00 0.00 C ATOM 111 O ARG A2035 0.114 -1.832 -5.343 1.00 0.00 O ATOM 112 CB ARG A2035 1.823 -0.450 -7.554 1.00 0.00 C ATOM 113 CG ARG A2035 0.676 -0.933 -8.419 1.00 0.00 C ATOM 114 CD ARG A2035 1.141 -1.943 -9.446 1.00 0.00 C ATOM 115 NE ARG A2035 0.074 -2.343 -10.356 1.00 0.00 N ATOM 116 CZ ARG A2035 0.279 -2.922 -11.535 1.00 0.00 C ATOM 117 NH1 ARG A2035 1.479 -3.418 -11.834 1.00 0.00 N ATOM 118 NH2 ARG A2035 -0.729 -3.082 -12.381 1.00 0.00 N ATOM 0 H ARG A2035 1.725 -3.160 -7.283 1.00 0.00 H new ATOM 0 HA ARG A2035 3.173 -0.963 -6.018 1.00 0.00 H new ATOM 0 HB2 ARG A2035 1.565 0.535 -7.164 1.00 0.00 H new ATOM 0 HB3 ARG A2035 2.699 -0.321 -8.190 1.00 0.00 H new ATOM 0 HG2 ARG A2035 -0.092 -1.381 -7.789 1.00 0.00 H new ATOM 0 HG3 ARG A2035 0.218 -0.083 -8.925 1.00 0.00 H new ATOM 0 HD2 ARG A2035 1.965 -1.520 -10.020 1.00 0.00 H new ATOM 0 HD3 ARG A2035 1.528 -2.824 -8.935 1.00 0.00 H new ATOM 0 HE ARG A2035 -0.889 -2.168 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A2035 2.240 -3.353 -11.158 1.00 0.00 H new ATOM 0 HH12 ARG A2035 1.636 -3.862 -12.739 1.00 0.00 H new ATOM 0 HH21 ARG A2035 -1.663 -2.761 -12.128 1.00 0.00 H new ATOM 0 HH22 ARG A2035 -0.570 -3.526 -13.285 1.00 0.00 H new ATOM 132 N ILE A2036 1.602 -0.619 -4.208 1.00 0.00 N ATOM 133 CA ILE A2036 0.735 -0.434 -3.085 1.00 0.00 C ATOM 134 C ILE A2036 -0.094 0.830 -3.276 1.00 0.00 C ATOM 135 O ILE A2036 0.457 1.894 -3.586 1.00 0.00 O ATOM 136 CB ILE A2036 1.545 -0.340 -1.769 1.00 0.00 C ATOM 137 CG1 ILE A2036 2.386 -1.596 -1.570 1.00 0.00 C ATOM 138 CG2 ILE A2036 0.644 -0.107 -0.563 1.00 0.00 C ATOM 139 CD1 ILE A2036 1.600 -2.897 -1.534 1.00 0.00 C ATOM 0 H ILE A2036 2.529 -0.207 -4.100 1.00 0.00 H new ATOM 0 HA ILE A2036 0.072 -1.296 -3.017 1.00 0.00 H new ATOM 0 HB ILE A2036 2.208 0.521 -1.854 1.00 0.00 H new ATOM 0 HG12 ILE A2036 3.120 -1.655 -2.374 1.00 0.00 H new ATOM 0 HG13 ILE A2036 2.942 -1.499 -0.637 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.252 -0.047 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.096 0.826 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A2036 -0.062 -0.933 -0.471 1.00 0.00 H new ATOM 0 HD11 ILE A2036 2.285 -3.732 -1.389 1.00 0.00 H new ATOM 0 HD12 ILE A2036 0.885 -2.867 -0.712 1.00 0.00 H new ATOM 0 HD13 ILE A2036 1.066 -3.026 -2.475 1.00 0.00 H new ATOM 151 N PRO A2037 -1.423 0.725 -3.130 1.00 0.00 N ATOM 152 CA PRO A2037 -2.298 1.870 -3.229 1.00 0.00 C ATOM 153 C PRO A2037 -2.037 2.842 -2.077 1.00 0.00 C ATOM 154 O PRO A2037 -2.046 2.461 -0.895 1.00 0.00 O ATOM 155 CB PRO A2037 -3.714 1.273 -3.134 1.00 0.00 C ATOM 156 CG PRO A2037 -3.532 -0.047 -2.476 1.00 0.00 C ATOM 157 CD PRO A2037 -2.166 -0.522 -2.857 1.00 0.00 C ATOM 0 HA PRO A2037 -2.149 2.437 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -4.375 1.916 -2.553 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -4.163 1.163 -4.121 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -3.625 0.042 -1.394 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -4.295 -0.753 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -1.703 -1.096 -2.054 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -2.197 -1.169 -3.734 1.00 0.00 H new ATOM 165 N VAL A2038 -1.755 4.059 -2.415 1.00 0.00 N ATOM 166 CA VAL A2038 -1.500 5.072 -1.425 1.00 0.00 C ATOM 167 C VAL A2038 -2.518 6.165 -1.554 1.00 0.00 C ATOM 168 O VAL A2038 -3.034 6.415 -2.646 1.00 0.00 O ATOM 169 CB VAL A2038 -0.065 5.662 -1.513 1.00 0.00 C ATOM 170 CG1 VAL A2038 0.973 4.611 -1.163 1.00 0.00 C ATOM 171 CG2 VAL A2038 0.207 6.228 -2.892 1.00 0.00 C ATOM 0 H VAL A2038 -1.693 4.385 -3.380 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.579 4.596 -0.448 1.00 0.00 H new ATOM 0 HB VAL A2038 0.005 6.474 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A2038 1.970 5.047 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.802 4.255 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.894 3.776 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A2038 1.218 6.634 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A2038 0.109 5.437 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.510 7.020 -3.108 1.00 0.00 H new ATOM 181 N ILE A2039 -2.818 6.805 -0.475 1.00 0.00 N ATOM 182 CA ILE A2039 -3.814 7.819 -0.480 1.00 0.00 C ATOM 183 C ILE A2039 -3.322 9.066 0.238 1.00 0.00 C ATOM 184 O ILE A2039 -2.651 8.985 1.267 1.00 0.00 O ATOM 185 CB ILE A2039 -5.158 7.301 0.139 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.264 8.372 0.050 1.00 0.00 C ATOM 187 CG2 ILE A2039 -4.962 6.822 1.584 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.621 7.907 0.537 1.00 0.00 C ATOM 0 H ILE A2039 -2.381 6.640 0.432 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.013 8.086 -1.518 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.481 6.442 -0.450 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -5.960 9.241 0.633 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.355 8.699 -0.986 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -5.913 6.470 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -4.237 6.008 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.596 7.648 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.341 8.720 0.440 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -7.951 7.057 -0.061 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.550 7.608 1.583 1.00 0.00 H new ATOM 200 N ASN A2040 -3.588 10.193 -0.361 1.00 0.00 N ATOM 201 CA ASN A2040 -3.309 11.488 0.229 1.00 0.00 C ATOM 202 C ASN A2040 -4.425 11.754 1.216 1.00 0.00 C ATOM 203 O ASN A2040 -5.572 11.783 0.825 1.00 0.00 O ATOM 204 CB ASN A2040 -3.304 12.567 -0.887 1.00 0.00 C ATOM 205 CG ASN A2040 -3.010 13.997 -0.419 1.00 0.00 C ATOM 206 OD1 ASN A2040 -3.296 14.380 0.704 1.00 0.00 O ATOM 207 ND2 ASN A2040 -2.485 14.803 -1.296 1.00 0.00 N ATOM 0 H ASN A2040 -4.011 10.247 -1.287 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.339 11.511 0.725 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -2.562 12.288 -1.635 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -4.275 12.557 -1.382 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -2.305 15.776 -1.050 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -2.254 14.461 -2.229 1.00 0.00 H new ATOM 214 N LYS A2041 -4.103 11.931 2.471 1.00 0.00 N ATOM 215 CA LYS A2041 -5.128 12.121 3.498 1.00 0.00 C ATOM 216 C LYS A2041 -5.778 13.492 3.404 1.00 0.00 C ATOM 217 O LYS A2041 -6.960 13.658 3.721 1.00 0.00 O ATOM 218 CB LYS A2041 -4.564 11.918 4.901 1.00 0.00 C ATOM 219 CG LYS A2041 -4.064 10.517 5.178 1.00 0.00 C ATOM 220 CD LYS A2041 -3.597 10.391 6.613 1.00 0.00 C ATOM 221 CE LYS A2041 -3.127 8.984 6.923 1.00 0.00 C ATOM 222 NZ LYS A2041 -2.690 8.842 8.323 1.00 0.00 N ATOM 0 H LYS A2041 -3.144 11.950 2.819 1.00 0.00 H new ATOM 0 HA LYS A2041 -5.890 11.364 3.313 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -3.744 12.620 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -5.337 12.165 5.629 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -4.859 9.797 4.984 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -3.244 10.277 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -2.785 11.095 6.796 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -4.411 10.661 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A2041 -3.935 8.280 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A2041 -2.304 8.722 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 -2.377 7.865 8.492 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 -1.902 9.495 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 -3.482 9.066 8.958 1.00 0.00 H new ATOM 236 N VAL A2042 -5.026 14.454 2.942 1.00 0.00 N ATOM 237 CA VAL A2042 -5.505 15.816 2.861 1.00 0.00 C ATOM 238 C VAL A2042 -6.419 15.974 1.652 1.00 0.00 C ATOM 239 O VAL A2042 -7.565 16.396 1.771 1.00 0.00 O ATOM 240 CB VAL A2042 -4.329 16.825 2.756 1.00 0.00 C ATOM 241 CG1 VAL A2042 -4.833 18.261 2.769 1.00 0.00 C ATOM 242 CG2 VAL A2042 -3.321 16.598 3.875 1.00 0.00 C ATOM 0 H VAL A2042 -4.070 14.322 2.612 1.00 0.00 H new ATOM 0 HA VAL A2042 -6.060 16.030 3.775 1.00 0.00 H new ATOM 0 HB VAL A2042 -3.828 16.655 1.803 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -3.987 18.944 2.694 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -5.503 18.419 1.924 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -5.371 18.450 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -2.506 17.316 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -3.812 16.730 4.839 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -2.923 15.586 3.806 1.00 0.00 H new ATOM 252 N ASP A2043 -5.918 15.600 0.511 1.00 0.00 N ATOM 253 CA ASP A2043 -6.657 15.757 -0.732 1.00 0.00 C ATOM 254 C ASP A2043 -7.612 14.599 -1.003 1.00 0.00 C ATOM 255 O ASP A2043 -8.696 14.793 -1.574 1.00 0.00 O ATOM 256 CB ASP A2043 -5.716 15.959 -1.917 1.00 0.00 C ATOM 257 CG ASP A2043 -5.017 17.301 -1.909 1.00 0.00 C ATOM 258 OD1 ASP A2043 -3.968 17.450 -1.259 1.00 0.00 O ATOM 259 OD2 ASP A2043 -5.510 18.228 -2.581 1.00 0.00 O ATOM 0 H ASP A2043 -4.995 15.180 0.403 1.00 0.00 H new ATOM 0 HA ASP A2043 -7.265 16.654 -0.611 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -4.967 15.168 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -6.283 15.859 -2.843 1.00 0.00 H new ATOM 264 N GLY A2044 -7.229 13.413 -0.613 1.00 0.00 N ATOM 265 CA GLY A2044 -8.050 12.240 -0.853 1.00 0.00 C ATOM 266 C GLY A2044 -7.668 11.576 -2.142 1.00 0.00 C ATOM 267 O GLY A2044 -8.392 10.727 -2.666 1.00 0.00 O ATOM 0 H GLY A2044 -6.353 13.226 -0.126 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -7.936 11.536 -0.029 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -9.101 12.527 -0.884 1.00 0.00 H new ATOM 271 N THR A2045 -6.545 11.993 -2.666 1.00 0.00 N ATOM 272 CA THR A2045 -6.016 11.481 -3.887 1.00 0.00 C ATOM 273 C THR A2045 -5.511 10.048 -3.681 1.00 0.00 C ATOM 274 O THR A2045 -4.562 9.822 -2.919 1.00 0.00 O ATOM 275 CB THR A2045 -4.864 12.385 -4.343 1.00 0.00 C ATOM 276 OG1 THR A2045 -5.294 13.755 -4.222 1.00 0.00 O ATOM 277 CG2 THR A2045 -4.486 12.101 -5.794 1.00 0.00 C ATOM 0 H THR A2045 -5.965 12.715 -2.239 1.00 0.00 H new ATOM 0 HA THR A2045 -6.795 11.466 -4.649 1.00 0.00 H new ATOM 0 HB THR A2045 -3.989 12.194 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A2045 -4.571 14.351 -4.507 1.00 0.00 H new ATOM 0 HG21 THR A2045 -3.667 12.756 -6.091 1.00 0.00 H new ATOM 0 HG22 THR A2045 -4.173 11.061 -5.892 1.00 0.00 H new ATOM 0 HG23 THR A2045 -5.347 12.283 -6.437 1.00 0.00 H new ATOM 285 N LEU A2046 -6.161 9.105 -4.313 1.00 0.00 N ATOM 286 CA LEU A2046 -5.792 7.716 -4.203 1.00 0.00 C ATOM 287 C LEU A2046 -4.996 7.311 -5.429 1.00 0.00 C ATOM 288 O LEU A2046 -5.458 7.463 -6.560 1.00 0.00 O ATOM 289 CB LEU A2046 -7.042 6.842 -4.067 1.00 0.00 C ATOM 290 CG LEU A2046 -6.801 5.334 -3.944 1.00 0.00 C ATOM 291 CD1 LEU A2046 -6.047 4.998 -2.667 1.00 0.00 C ATOM 292 CD2 LEU A2046 -8.109 4.577 -4.011 1.00 0.00 C ATOM 0 H LEU A2046 -6.963 9.278 -4.920 1.00 0.00 H new ATOM 0 HA LEU A2046 -5.179 7.575 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.598 7.173 -3.190 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -7.679 7.018 -4.934 1.00 0.00 H new ATOM 0 HG LEU A2046 -6.182 5.025 -4.786 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -5.892 3.921 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -5.082 5.504 -2.671 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.627 5.328 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -7.916 3.508 -3.922 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -8.757 4.898 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -8.598 4.779 -4.964 1.00 0.00 H new ATOM 304 N LEU A2047 -3.819 6.822 -5.215 1.00 0.00 N ATOM 305 CA LEU A2047 -2.956 6.429 -6.297 1.00 0.00 C ATOM 306 C LEU A2047 -2.982 4.941 -6.440 1.00 0.00 C ATOM 307 O LEU A2047 -2.576 4.210 -5.532 1.00 0.00 O ATOM 308 CB LEU A2047 -1.523 6.914 -6.078 1.00 0.00 C ATOM 309 CG LEU A2047 -1.336 8.423 -5.908 1.00 0.00 C ATOM 310 CD1 LEU A2047 0.135 8.762 -5.766 1.00 0.00 C ATOM 311 CD2 LEU A2047 -1.947 9.180 -7.071 1.00 0.00 C ATOM 0 H LEU A2047 -3.421 6.681 -4.286 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.323 6.893 -7.213 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.126 6.418 -5.192 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -0.918 6.588 -6.924 1.00 0.00 H new ATOM 0 HG LEU A2047 -1.852 8.729 -4.998 1.00 0.00 H new ATOM 0 HD11 LEU A2047 0.250 9.839 -5.646 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.543 8.254 -4.892 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.671 8.437 -6.658 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -1.800 10.250 -6.926 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -1.466 8.871 -7.999 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -3.014 8.964 -7.125 1.00 0.00 H new ATOM 323 N VAL A2048 -3.496 4.498 -7.548 1.00 0.00 N ATOM 324 CA VAL A2048 -3.573 3.095 -7.866 1.00 0.00 C ATOM 325 C VAL A2048 -2.947 2.867 -9.222 1.00 0.00 C ATOM 326 O VAL A2048 -2.648 3.836 -9.948 1.00 0.00 O ATOM 327 CB VAL A2048 -5.043 2.562 -7.879 1.00 0.00 C ATOM 328 CG1 VAL A2048 -5.666 2.629 -6.496 1.00 0.00 C ATOM 329 CG2 VAL A2048 -5.901 3.329 -8.886 1.00 0.00 C ATOM 0 H VAL A2048 -3.881 5.107 -8.270 1.00 0.00 H new ATOM 0 HA VAL A2048 -3.038 2.549 -7.089 1.00 0.00 H new ATOM 0 HB VAL A2048 -5.006 1.517 -8.186 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -6.688 2.252 -6.538 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -5.083 2.021 -5.804 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -5.675 3.663 -6.151 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -6.917 2.936 -8.872 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -5.917 4.386 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -5.481 3.213 -9.885 1.00 0.00 H new ATOM 339 N GLY A2049 -2.728 1.630 -9.552 1.00 0.00 N ATOM 340 CA GLY A2049 -2.192 1.294 -10.834 1.00 0.00 C ATOM 341 C GLY A2049 -0.734 1.632 -10.930 1.00 0.00 C ATOM 342 O GLY A2049 -0.027 1.649 -9.930 1.00 0.00 O ATOM 0 H GLY A2049 -2.914 0.832 -8.945 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -2.332 0.229 -11.019 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -2.741 1.828 -11.610 1.00 0.00 H new ATOM 346 N GLU A2050 -0.295 1.988 -12.102 1.00 0.00 N ATOM 347 CA GLU A2050 1.110 2.253 -12.333 1.00 0.00 C ATOM 348 C GLU A2050 1.475 3.684 -11.987 1.00 0.00 C ATOM 349 O GLU A2050 2.585 4.137 -12.254 1.00 0.00 O ATOM 350 CB GLU A2050 1.500 1.904 -13.755 1.00 0.00 C ATOM 351 CG GLU A2050 1.212 0.456 -14.105 1.00 0.00 C ATOM 352 CD GLU A2050 1.734 0.080 -15.450 1.00 0.00 C ATOM 353 OE1 GLU A2050 1.159 0.493 -16.459 1.00 0.00 O ATOM 354 OE2 GLU A2050 2.749 -0.650 -15.522 1.00 0.00 O ATOM 0 H GLU A2050 -0.888 2.104 -12.923 1.00 0.00 H new ATOM 0 HA GLU A2050 1.683 1.610 -11.665 1.00 0.00 H new ATOM 0 HB2 GLU A2050 0.961 2.554 -14.445 1.00 0.00 H new ATOM 0 HB3 GLU A2050 2.563 2.102 -13.895 1.00 0.00 H new ATOM 0 HG2 GLU A2050 1.658 -0.193 -13.351 1.00 0.00 H new ATOM 0 HG3 GLU A2050 0.136 0.285 -14.076 1.00 0.00 H new ATOM 361 N ASP A2051 0.539 4.373 -11.392 1.00 0.00 N ATOM 362 CA ASP A2051 0.738 5.720 -10.886 1.00 0.00 C ATOM 363 C ASP A2051 1.090 5.646 -9.421 1.00 0.00 C ATOM 364 O ASP A2051 1.536 6.629 -8.808 1.00 0.00 O ATOM 365 CB ASP A2051 -0.528 6.534 -11.061 1.00 0.00 C ATOM 366 CG ASP A2051 -0.804 6.898 -12.493 1.00 0.00 C ATOM 367 OD1 ASP A2051 -1.439 6.097 -13.219 1.00 0.00 O ATOM 368 OD2 ASP A2051 -0.378 7.992 -12.930 1.00 0.00 O ATOM 0 H ASP A2051 -0.403 4.014 -11.239 1.00 0.00 H new ATOM 0 HA ASP A2051 1.545 6.199 -11.440 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -1.373 5.969 -10.667 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -0.451 7.446 -10.469 1.00 0.00 H new ATOM 373 N ALA A2052 0.892 4.472 -8.869 1.00 0.00 N ATOM 374 CA ALA A2052 1.174 4.207 -7.492 1.00 0.00 C ATOM 375 C ALA A2052 2.620 3.752 -7.365 1.00 0.00 C ATOM 376 O ALA A2052 3.187 3.190 -8.324 1.00 0.00 O ATOM 377 CB ALA A2052 0.220 3.141 -6.966 1.00 0.00 C ATOM 0 H ALA A2052 0.525 3.668 -9.378 1.00 0.00 H new ATOM 0 HA ALA A2052 1.032 5.110 -6.899 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.439 2.943 -5.917 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -0.807 3.493 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A2052 0.345 2.224 -7.542 1.00 0.00 H new ATOM 383 N PRO A2053 3.256 4.023 -6.231 1.00 0.00 N ATOM 384 CA PRO A2053 4.637 3.630 -6.000 1.00 0.00 C ATOM 385 C PRO A2053 4.808 2.114 -5.885 1.00 0.00 C ATOM 386 O PRO A2053 3.948 1.395 -5.337 1.00 0.00 O ATOM 387 CB PRO A2053 4.994 4.309 -4.675 1.00 0.00 C ATOM 388 CG PRO A2053 3.692 4.497 -3.988 1.00 0.00 C ATOM 389 CD PRO A2053 2.694 4.749 -5.073 1.00 0.00 C ATOM 0 HA PRO A2053 5.279 3.924 -6.830 1.00 0.00 H new ATOM 0 HB2 PRO A2053 5.669 3.692 -4.083 1.00 0.00 H new ATOM 0 HB3 PRO A2053 5.496 5.262 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A2053 3.425 3.614 -3.408 1.00 0.00 H new ATOM 0 HG3 PRO A2053 3.734 5.335 -3.292 1.00 0.00 H new ATOM 0 HD2 PRO A2053 1.706 4.375 -4.805 1.00 0.00 H new ATOM 0 HD3 PRO A2053 2.586 5.814 -5.280 1.00 0.00 H new ATOM 397 N ARG A2054 5.906 1.640 -6.413 1.00 0.00 N ATOM 398 CA ARG A2054 6.285 0.266 -6.343 1.00 0.00 C ATOM 399 C ARG A2054 6.651 -0.011 -4.884 1.00 0.00 C ATOM 400 O ARG A2054 7.259 0.839 -4.250 1.00 0.00 O ATOM 401 CB ARG A2054 7.493 0.106 -7.270 1.00 0.00 C ATOM 402 CG ARG A2054 8.128 -1.252 -7.336 1.00 0.00 C ATOM 403 CD ARG A2054 9.280 -1.218 -8.325 1.00 0.00 C ATOM 404 NE ARG A2054 10.061 -2.461 -8.367 1.00 0.00 N ATOM 405 CZ ARG A2054 11.155 -2.629 -9.130 1.00 0.00 C ATOM 406 NH1 ARG A2054 11.518 -1.693 -10.005 1.00 0.00 N ATOM 407 NH2 ARG A2054 11.850 -3.752 -9.050 1.00 0.00 N ATOM 0 H ARG A2054 6.576 2.222 -6.917 1.00 0.00 H new ATOM 0 HA ARG A2054 5.503 -0.428 -6.650 1.00 0.00 H new ATOM 0 HB2 ARG A2054 7.186 0.385 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A2054 8.255 0.821 -6.960 1.00 0.00 H new ATOM 0 HG2 ARG A2054 8.488 -1.546 -6.350 1.00 0.00 H new ATOM 0 HG3 ARG A2054 7.392 -1.996 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A2054 8.886 -1.013 -9.321 1.00 0.00 H new ATOM 0 HD3 ARG A2054 9.943 -0.392 -8.068 1.00 0.00 H new ATOM 0 HE ARG A2054 9.756 -3.241 -7.784 1.00 0.00 H new ATOM 0 HH11 ARG A2054 10.965 -0.841 -10.100 1.00 0.00 H new ATOM 0 HH12 ARG A2054 12.349 -1.828 -10.580 1.00 0.00 H new ATOM 0 HH21 ARG A2054 11.556 -4.489 -8.410 1.00 0.00 H new ATOM 0 HH22 ARG A2054 12.680 -3.880 -9.629 1.00 0.00 H new ATOM 421 N ARG A2055 6.276 -1.169 -4.342 1.00 0.00 N ATOM 422 CA ARG A2055 6.517 -1.456 -2.915 1.00 0.00 C ATOM 423 C ARG A2055 7.993 -1.294 -2.524 1.00 0.00 C ATOM 424 O ARG A2055 8.305 -0.867 -1.419 1.00 0.00 O ATOM 425 CB ARG A2055 6.007 -2.840 -2.496 1.00 0.00 C ATOM 426 CG ARG A2055 6.223 -3.134 -1.005 1.00 0.00 C ATOM 427 CD ARG A2055 5.362 -2.233 -0.124 1.00 0.00 C ATOM 428 NE ARG A2055 5.806 -2.163 1.279 1.00 0.00 N ATOM 429 CZ ARG A2055 5.298 -2.873 2.300 1.00 0.00 C ATOM 430 NH1 ARG A2055 4.578 -3.955 2.061 1.00 0.00 N ATOM 431 NH2 ARG A2055 5.576 -2.529 3.552 1.00 0.00 N ATOM 0 H ARG A2055 5.810 -1.918 -4.854 1.00 0.00 H new ATOM 0 HA ARG A2055 5.940 -0.709 -2.370 1.00 0.00 H new ATOM 0 HB2 ARG A2055 4.944 -2.914 -2.725 1.00 0.00 H new ATOM 0 HB3 ARG A2055 6.514 -3.602 -3.088 1.00 0.00 H new ATOM 0 HG2 ARG A2055 5.985 -4.178 -0.801 1.00 0.00 H new ATOM 0 HG3 ARG A2055 7.274 -2.992 -0.754 1.00 0.00 H new ATOM 0 HD2 ARG A2055 5.360 -1.227 -0.544 1.00 0.00 H new ATOM 0 HD3 ARG A2055 4.333 -2.592 -0.151 1.00 0.00 H new ATOM 0 HE ARG A2055 6.567 -1.518 1.494 1.00 0.00 H new ATOM 0 HH11 ARG A2055 4.407 -4.252 1.100 1.00 0.00 H new ATOM 0 HH12 ARG A2055 4.193 -4.493 2.837 1.00 0.00 H new ATOM 0 HH21 ARG A2055 6.176 -1.725 3.739 1.00 0.00 H new ATOM 0 HH22 ARG A2055 5.190 -3.068 4.327 1.00 0.00 H new ATOM 445 N ALA A2056 8.874 -1.590 -3.454 1.00 0.00 N ATOM 446 CA ALA A2056 10.308 -1.452 -3.236 1.00 0.00 C ATOM 447 C ALA A2056 10.718 0.007 -2.922 1.00 0.00 C ATOM 448 O ALA A2056 11.676 0.247 -2.197 1.00 0.00 O ATOM 449 CB ALA A2056 11.069 -1.971 -4.448 1.00 0.00 C ATOM 0 H ALA A2056 8.624 -1.932 -4.382 1.00 0.00 H new ATOM 0 HA ALA A2056 10.566 -2.049 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.140 -1.865 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A2056 10.829 -3.023 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.783 -1.398 -5.330 1.00 0.00 H new ATOM 455 N GLU A2057 9.973 0.968 -3.434 1.00 0.00 N ATOM 456 CA GLU A2057 10.325 2.375 -3.242 1.00 0.00 C ATOM 457 C GLU A2057 9.395 3.016 -2.205 1.00 0.00 C ATOM 458 O GLU A2057 9.626 4.133 -1.753 1.00 0.00 O ATOM 459 CB GLU A2057 10.207 3.125 -4.581 1.00 0.00 C ATOM 460 CG GLU A2057 8.769 3.353 -5.042 1.00 0.00 C ATOM 461 CD GLU A2057 8.662 3.983 -6.395 1.00 0.00 C ATOM 462 OE1 GLU A2057 9.133 5.126 -6.579 1.00 0.00 O ATOM 463 OE2 GLU A2057 8.128 3.334 -7.321 1.00 0.00 O ATOM 0 H GLU A2057 9.127 0.810 -3.982 1.00 0.00 H new ATOM 0 HA GLU A2057 11.352 2.438 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A2057 10.706 4.090 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A2057 10.739 2.563 -5.349 1.00 0.00 H new ATOM 0 HG2 GLU A2057 8.245 2.397 -5.054 1.00 0.00 H new ATOM 0 HG3 GLU A2057 8.260 3.986 -4.315 1.00 0.00 H new ATOM 470 N LEU A2058 8.384 2.251 -1.808 1.00 0.00 N ATOM 471 CA LEU A2058 7.265 2.706 -0.979 1.00 0.00 C ATOM 472 C LEU A2058 7.707 3.406 0.306 1.00 0.00 C ATOM 473 O LEU A2058 7.188 4.479 0.629 1.00 0.00 O ATOM 474 CB LEU A2058 6.306 1.501 -0.724 1.00 0.00 C ATOM 475 CG LEU A2058 4.959 1.706 0.031 1.00 0.00 C ATOM 476 CD1 LEU A2058 5.143 1.928 1.518 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.157 2.836 -0.590 1.00 0.00 C ATOM 0 H LEU A2058 8.315 1.265 -2.060 1.00 0.00 H new ATOM 0 HA LEU A2058 6.722 3.480 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A2058 6.067 1.069 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A2058 6.872 0.751 -0.172 1.00 0.00 H new ATOM 0 HG LEU A2058 4.399 0.777 -0.077 1.00 0.00 H new ATOM 0 HD11 LEU A2058 4.169 2.064 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A2058 5.640 1.063 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A2058 5.752 2.817 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.221 2.960 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A2058 4.732 3.761 -0.539 1.00 0.00 H new ATOM 0 HD23 LEU A2058 3.942 2.600 -1.632 1.00 0.00 H new ATOM 489 N GLU A2059 8.668 2.837 1.015 1.00 0.00 N ATOM 490 CA GLU A2059 9.102 3.418 2.275 1.00 0.00 C ATOM 491 C GLU A2059 9.732 4.795 2.069 1.00 0.00 C ATOM 492 O GLU A2059 9.307 5.783 2.683 1.00 0.00 O ATOM 493 CB GLU A2059 10.042 2.480 3.018 1.00 0.00 C ATOM 494 CG GLU A2059 10.538 3.031 4.339 1.00 0.00 C ATOM 495 CD GLU A2059 11.330 2.025 5.112 1.00 0.00 C ATOM 496 OE1 GLU A2059 12.480 1.749 4.739 1.00 0.00 O ATOM 497 OE2 GLU A2059 10.804 1.465 6.105 1.00 0.00 O ATOM 0 H GLU A2059 9.157 1.984 0.744 1.00 0.00 H new ATOM 0 HA GLU A2059 8.217 3.557 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A2059 9.529 1.535 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A2059 10.899 2.261 2.382 1.00 0.00 H new ATOM 0 HG2 GLU A2059 11.154 3.911 4.155 1.00 0.00 H new ATOM 0 HG3 GLU A2059 9.687 3.357 4.937 1.00 0.00 H new ATOM 504 N MET A2060 10.706 4.871 1.175 1.00 0.00 N ATOM 505 CA MET A2060 11.374 6.145 0.873 1.00 0.00 C ATOM 506 C MET A2060 10.396 7.142 0.267 1.00 0.00 C ATOM 507 O MET A2060 10.498 8.348 0.502 1.00 0.00 O ATOM 508 CB MET A2060 12.577 5.956 -0.061 1.00 0.00 C ATOM 509 CG MET A2060 13.815 5.237 0.516 1.00 0.00 C ATOM 510 SD MET A2060 14.817 6.208 1.705 1.00 0.00 S ATOM 511 CE MET A2060 13.867 6.123 3.231 1.00 0.00 C ATOM 0 H MET A2060 11.056 4.074 0.644 1.00 0.00 H new ATOM 0 HA MET A2060 11.744 6.541 1.819 1.00 0.00 H new ATOM 0 HB2 MET A2060 12.241 5.399 -0.936 1.00 0.00 H new ATOM 0 HB3 MET A2060 12.891 6.940 -0.410 1.00 0.00 H new ATOM 0 HG2 MET A2060 13.484 4.323 1.009 1.00 0.00 H new ATOM 0 HG3 MET A2060 14.457 4.938 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A2060 13.412 7.093 3.431 1.00 0.00 H new ATOM 0 HE2 MET A2060 13.086 5.369 3.132 1.00 0.00 H new ATOM 0 HE3 MET A2060 14.527 5.855 4.056 1.00 0.00 H new ATOM 521 N TRP A2061 9.446 6.631 -0.488 1.00 0.00 N ATOM 522 CA TRP A2061 8.429 7.445 -1.111 1.00 0.00 C ATOM 523 C TRP A2061 7.557 8.102 -0.029 1.00 0.00 C ATOM 524 O TRP A2061 7.387 9.319 -0.019 1.00 0.00 O ATOM 525 CB TRP A2061 7.584 6.587 -2.061 1.00 0.00 C ATOM 526 CG TRP A2061 6.674 7.371 -2.950 1.00 0.00 C ATOM 527 CD1 TRP A2061 6.982 7.885 -4.173 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.315 7.728 -2.695 1.00 0.00 C ATOM 529 NE1 TRP A2061 5.902 8.544 -4.691 1.00 0.00 N ATOM 530 CE2 TRP A2061 4.867 8.464 -3.806 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.435 7.499 -1.638 1.00 0.00 C ATOM 532 CZ2 TRP A2061 3.581 8.975 -3.890 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.159 8.006 -1.725 1.00 0.00 C ATOM 534 CH2 TRP A2061 2.744 8.737 -2.843 1.00 0.00 C ATOM 0 H TRP A2061 9.359 5.634 -0.686 1.00 0.00 H new ATOM 0 HA TRP A2061 8.899 8.235 -1.697 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.251 5.987 -2.681 1.00 0.00 H new ATOM 0 HB3 TRP A2061 6.987 5.892 -1.471 1.00 0.00 H new ATOM 0 HD1 TRP A2061 7.940 7.786 -4.662 1.00 0.00 H new ATOM 0 HE1 TRP A2061 5.875 9.019 -5.593 1.00 0.00 H new ATOM 0 HE3 TRP A2061 4.748 6.936 -0.771 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.256 9.539 -4.752 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.465 7.836 -0.915 1.00 0.00 H new ATOM 0 HH2 TRP A2061 1.735 9.122 -2.876 1.00 0.00 H new ATOM 545 N LEU A2062 7.054 7.294 0.910 1.00 0.00 N ATOM 546 CA LEU A2062 6.233 7.800 2.017 1.00 0.00 C ATOM 547 C LEU A2062 6.986 8.800 2.878 1.00 0.00 C ATOM 548 O LEU A2062 6.382 9.716 3.445 1.00 0.00 O ATOM 549 CB LEU A2062 5.640 6.681 2.878 1.00 0.00 C ATOM 550 CG LEU A2062 4.528 5.841 2.240 1.00 0.00 C ATOM 551 CD1 LEU A2062 4.028 4.812 3.228 1.00 0.00 C ATOM 552 CD2 LEU A2062 3.370 6.720 1.784 1.00 0.00 C ATOM 0 H LEU A2062 7.201 6.285 0.926 1.00 0.00 H new ATOM 0 HA LEU A2062 5.398 8.321 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A2062 6.449 6.011 3.170 1.00 0.00 H new ATOM 0 HB3 LEU A2062 5.249 7.126 3.793 1.00 0.00 H new ATOM 0 HG LEU A2062 4.942 5.337 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A2062 3.238 4.219 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A2062 4.850 4.158 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A2062 3.635 5.316 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A2062 2.596 6.098 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A2062 2.957 7.251 2.641 1.00 0.00 H new ATOM 0 HD23 LEU A2062 3.728 7.441 1.049 1.00 0.00 H new ATOM 564 N GLN A2063 8.283 8.604 3.007 1.00 0.00 N ATOM 565 CA GLN A2063 9.138 9.524 3.741 1.00 0.00 C ATOM 566 C GLN A2063 9.153 10.916 3.109 1.00 0.00 C ATOM 567 O GLN A2063 9.288 11.922 3.805 1.00 0.00 O ATOM 568 CB GLN A2063 10.551 8.975 3.831 1.00 0.00 C ATOM 569 CG GLN A2063 10.684 7.770 4.733 1.00 0.00 C ATOM 570 CD GLN A2063 10.271 8.068 6.160 1.00 0.00 C ATOM 571 OE1 GLN A2063 9.112 7.912 6.535 1.00 0.00 O ATOM 572 NE2 GLN A2063 11.200 8.516 6.949 1.00 0.00 N ATOM 0 H GLN A2063 8.776 7.805 2.608 1.00 0.00 H new ATOM 0 HA GLN A2063 8.726 9.622 4.745 1.00 0.00 H new ATOM 0 HB2 GLN A2063 10.890 8.707 2.831 1.00 0.00 H new ATOM 0 HB3 GLN A2063 11.214 9.762 4.192 1.00 0.00 H new ATOM 0 HG2 GLN A2063 10.071 6.958 4.342 1.00 0.00 H new ATOM 0 HG3 GLN A2063 11.717 7.423 4.722 1.00 0.00 H new ATOM 0 HE21 GLN A2063 12.152 8.632 6.601 1.00 0.00 H new ATOM 0 HE22 GLN A2063 10.978 8.751 7.916 1.00 0.00 H new ATOM 581 N GLY A2064 8.997 10.963 1.805 1.00 0.00 N ATOM 582 CA GLY A2064 8.996 12.223 1.099 1.00 0.00 C ATOM 583 C GLY A2064 7.601 12.770 0.897 1.00 0.00 C ATOM 584 O GLY A2064 7.429 13.927 0.519 1.00 0.00 O ATOM 0 H GLY A2064 8.869 10.143 1.212 1.00 0.00 H new ATOM 0 HA2 GLY A2064 9.591 12.948 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A2064 9.476 12.093 0.129 1.00 0.00 H new ATOM 588 N HIS A2065 6.610 11.950 1.169 1.00 0.00 N ATOM 589 CA HIS A2065 5.219 12.323 1.009 1.00 0.00 C ATOM 590 C HIS A2065 4.458 12.022 2.290 1.00 0.00 C ATOM 591 O HIS A2065 3.812 10.983 2.404 1.00 0.00 O ATOM 592 CB HIS A2065 4.545 11.585 -0.171 1.00 0.00 C ATOM 593 CG HIS A2065 5.075 11.919 -1.535 1.00 0.00 C ATOM 594 ND1 HIS A2065 4.433 12.752 -2.423 1.00 0.00 N ATOM 595 CD2 HIS A2065 6.191 11.486 -2.172 1.00 0.00 C ATOM 596 CE1 HIS A2065 5.151 12.799 -3.540 1.00 0.00 C ATOM 597 NE2 HIS A2065 6.236 12.047 -3.444 1.00 0.00 N ATOM 0 H HIS A2065 6.746 10.998 1.510 1.00 0.00 H new ATOM 0 HA HIS A2065 5.192 13.391 0.791 1.00 0.00 H new ATOM 0 HB2 HIS A2065 4.651 10.512 -0.013 1.00 0.00 H new ATOM 0 HB3 HIS A2065 3.478 11.806 -0.152 1.00 0.00 H new ATOM 0 HD2 HIS A2065 6.927 10.813 -1.758 1.00 0.00 H new ATOM 0 HE1 HIS A2065 4.884 13.376 -4.413 1.00 0.00 H new ATOM 0 HE2 HIS A2065 6.955 11.908 -4.154 1.00 0.00 H new ATOM 605 N PRO A2066 4.564 12.898 3.301 1.00 0.00 N ATOM 606 CA PRO A2066 3.905 12.692 4.592 1.00 0.00 C ATOM 607 C PRO A2066 2.383 12.830 4.517 1.00 0.00 C ATOM 608 O PRO A2066 1.652 12.293 5.362 1.00 0.00 O ATOM 609 CB PRO A2066 4.507 13.774 5.492 1.00 0.00 C ATOM 610 CG PRO A2066 5.021 14.818 4.566 1.00 0.00 C ATOM 611 CD PRO A2066 5.356 14.138 3.278 1.00 0.00 C ATOM 0 HA PRO A2066 4.068 11.680 4.962 1.00 0.00 H new ATOM 0 HB2 PRO A2066 3.757 14.184 6.169 1.00 0.00 H new ATOM 0 HB3 PRO A2066 5.308 13.369 6.111 1.00 0.00 H new ATOM 0 HG2 PRO A2066 4.273 15.595 4.408 1.00 0.00 H new ATOM 0 HG3 PRO A2066 5.902 15.304 4.985 1.00 0.00 H new ATOM 0 HD2 PRO A2066 5.096 14.760 2.421 1.00 0.00 H new ATOM 0 HD3 PRO A2066 6.423 13.927 3.206 1.00 0.00 H new ATOM 619 N GLU A2067 1.909 13.514 3.485 1.00 0.00 N ATOM 620 CA GLU A2067 0.480 13.742 3.294 1.00 0.00 C ATOM 621 C GLU A2067 -0.168 12.474 2.749 1.00 0.00 C ATOM 622 O GLU A2067 -1.386 12.294 2.806 1.00 0.00 O ATOM 623 CB GLU A2067 0.248 14.909 2.320 1.00 0.00 C ATOM 624 CG GLU A2067 1.060 16.169 2.632 1.00 0.00 C ATOM 625 CD GLU A2067 0.865 16.689 4.039 1.00 0.00 C ATOM 626 OE1 GLU A2067 1.582 16.241 4.951 1.00 0.00 O ATOM 627 OE2 GLU A2067 0.027 17.583 4.256 1.00 0.00 O ATOM 0 H GLU A2067 2.498 13.925 2.760 1.00 0.00 H new ATOM 0 HA GLU A2067 0.030 13.997 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A2067 0.491 14.577 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A2067 -0.812 15.165 2.325 1.00 0.00 H new ATOM 0 HG2 GLU A2067 2.118 15.956 2.477 1.00 0.00 H new ATOM 0 HG3 GLU A2067 0.785 16.951 1.924 1.00 0.00 H new ATOM 634 N PHE A2068 0.664 11.597 2.228 1.00 0.00 N ATOM 635 CA PHE A2068 0.233 10.334 1.701 1.00 0.00 C ATOM 636 C PHE A2068 0.476 9.245 2.706 1.00 0.00 C ATOM 637 O PHE A2068 1.360 9.350 3.565 1.00 0.00 O ATOM 638 CB PHE A2068 0.955 9.984 0.398 1.00 0.00 C ATOM 639 CG PHE A2068 0.481 10.724 -0.818 1.00 0.00 C ATOM 640 CD1 PHE A2068 0.895 12.016 -1.083 1.00 0.00 C ATOM 641 CD2 PHE A2068 -0.377 10.105 -1.713 1.00 0.00 C ATOM 642 CE1 PHE A2068 0.463 12.674 -2.214 1.00 0.00 C ATOM 643 CE2 PHE A2068 -0.809 10.756 -2.846 1.00 0.00 C ATOM 644 CZ PHE A2068 -0.390 12.044 -3.099 1.00 0.00 C ATOM 0 H PHE A2068 1.670 11.750 2.161 1.00 0.00 H new ATOM 0 HA PHE A2068 -0.833 10.418 1.490 1.00 0.00 H new ATOM 0 HB2 PHE A2068 2.020 10.178 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A2068 0.846 8.915 0.218 1.00 0.00 H new ATOM 0 HD1 PHE A2068 1.564 12.515 -0.397 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -0.712 9.097 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A2068 0.792 13.684 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -1.475 10.258 -3.535 1.00 0.00 H new ATOM 0 HZ PHE A2068 -0.727 12.559 -3.986 1.00 0.00 H new ATOM 654 N ALA A2069 -0.303 8.233 2.618 1.00 0.00 N ATOM 655 CA ALA A2069 -0.185 7.090 3.451 1.00 0.00 C ATOM 656 C ALA A2069 -0.626 5.896 2.666 1.00 0.00 C ATOM 657 O ALA A2069 -1.145 6.048 1.560 1.00 0.00 O ATOM 658 CB ALA A2069 -1.057 7.257 4.669 1.00 0.00 C ATOM 0 H ALA A2069 -1.066 8.172 1.944 1.00 0.00 H new ATOM 0 HA ALA A2069 0.847 6.963 3.779 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -0.964 6.378 5.306 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -0.743 8.142 5.223 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -2.096 7.373 4.360 1.00 0.00 H new ATOM 664 N VAL A2070 -0.433 4.738 3.212 1.00 0.00 N ATOM 665 CA VAL A2070 -0.870 3.523 2.583 1.00 0.00 C ATOM 666 C VAL A2070 -2.390 3.396 2.746 1.00 0.00 C ATOM 667 O VAL A2070 -2.945 3.826 3.770 1.00 0.00 O ATOM 668 CB VAL A2070 -0.103 2.276 3.154 1.00 0.00 C ATOM 669 CG1 VAL A2070 -0.155 2.237 4.667 1.00 0.00 C ATOM 670 CG2 VAL A2070 -0.635 0.967 2.576 1.00 0.00 C ATOM 0 H VAL A2070 0.033 4.603 4.109 1.00 0.00 H new ATOM 0 HA VAL A2070 -0.637 3.559 1.519 1.00 0.00 H new ATOM 0 HB VAL A2070 0.937 2.383 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A2070 0.385 1.362 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A2070 0.305 3.139 5.070 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -1.193 2.182 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A2070 -0.077 0.130 2.997 1.00 0.00 H new ATOM 0 HG22 VAL A2070 -1.691 0.862 2.825 1.00 0.00 H new ATOM 0 HG23 VAL A2070 -0.517 0.973 1.492 1.00 0.00 H new ATOM 680 N ASP A2071 -3.044 2.899 1.713 1.00 0.00 N ATOM 681 CA ASP A2071 -4.497 2.703 1.679 1.00 0.00 C ATOM 682 C ASP A2071 -4.966 1.923 2.919 1.00 0.00 C ATOM 683 O ASP A2071 -4.548 0.777 3.132 1.00 0.00 O ATOM 684 CB ASP A2071 -4.861 1.938 0.399 1.00 0.00 C ATOM 685 CG ASP A2071 -6.337 1.763 0.171 1.00 0.00 C ATOM 686 OD1 ASP A2071 -6.946 0.923 0.804 1.00 0.00 O ATOM 687 OD2 ASP A2071 -6.899 2.443 -0.699 1.00 0.00 O ATOM 0 H ASP A2071 -2.578 2.612 0.852 1.00 0.00 H new ATOM 0 HA ASP A2071 -4.996 3.672 1.684 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -4.435 2.463 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.393 0.954 0.434 1.00 0.00 H new ATOM 692 N PRO A2072 -5.824 2.537 3.763 1.00 0.00 N ATOM 693 CA PRO A2072 -6.290 1.921 5.019 1.00 0.00 C ATOM 694 C PRO A2072 -7.139 0.672 4.782 1.00 0.00 C ATOM 695 O PRO A2072 -7.181 -0.242 5.601 1.00 0.00 O ATOM 696 CB PRO A2072 -7.110 3.026 5.690 1.00 0.00 C ATOM 697 CG PRO A2072 -7.495 3.951 4.586 1.00 0.00 C ATOM 698 CD PRO A2072 -6.391 3.888 3.573 1.00 0.00 C ATOM 0 HA PRO A2072 -5.457 1.574 5.630 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -7.990 2.617 6.186 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -6.526 3.543 6.451 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -8.445 3.652 4.143 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -7.622 4.968 4.958 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -6.768 4.026 2.560 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -5.645 4.664 3.744 1.00 0.00 H new ATOM 706 N ARG A2073 -7.767 0.631 3.642 1.00 0.00 N ATOM 707 CA ARG A2073 -8.572 -0.493 3.229 1.00 0.00 C ATOM 708 C ARG A2073 -7.651 -1.663 2.880 1.00 0.00 C ATOM 709 O ARG A2073 -7.941 -2.811 3.203 1.00 0.00 O ATOM 710 CB ARG A2073 -9.408 -0.060 2.036 1.00 0.00 C ATOM 711 CG ARG A2073 -9.952 -1.171 1.175 1.00 0.00 C ATOM 712 CD ARG A2073 -10.430 -0.603 -0.140 1.00 0.00 C ATOM 713 NE ARG A2073 -9.358 0.169 -0.818 1.00 0.00 N ATOM 714 CZ ARG A2073 -9.278 0.400 -2.129 1.00 0.00 C ATOM 715 NH1 ARG A2073 -10.184 -0.106 -2.964 1.00 0.00 N ATOM 716 NH2 ARG A2073 -8.300 1.159 -2.598 1.00 0.00 N ATOM 0 H ARG A2073 -7.736 1.388 2.959 1.00 0.00 H new ATOM 0 HA ARG A2073 -9.240 -0.820 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -10.246 0.534 2.401 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -8.801 0.595 1.410 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -9.180 -1.921 1.000 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -10.774 -1.673 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -10.763 -1.413 -0.789 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -11.292 0.042 0.032 1.00 0.00 H new ATOM 0 HE ARG A2073 -8.619 0.556 -0.231 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -10.948 -0.676 -2.602 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -10.113 0.077 -3.965 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -7.615 1.562 -1.958 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -8.231 1.341 -3.599 1.00 0.00 H new ATOM 730 N PHE A2074 -6.537 -1.354 2.232 1.00 0.00 N ATOM 731 CA PHE A2074 -5.518 -2.344 1.917 1.00 0.00 C ATOM 732 C PHE A2074 -4.880 -2.853 3.221 1.00 0.00 C ATOM 733 O PHE A2074 -4.481 -4.016 3.324 1.00 0.00 O ATOM 734 CB PHE A2074 -4.451 -1.754 0.966 1.00 0.00 C ATOM 735 CG PHE A2074 -3.442 -2.757 0.468 1.00 0.00 C ATOM 736 CD1 PHE A2074 -3.756 -3.607 -0.581 1.00 0.00 C ATOM 737 CD2 PHE A2074 -2.185 -2.852 1.049 1.00 0.00 C ATOM 738 CE1 PHE A2074 -2.841 -4.534 -1.043 1.00 0.00 C ATOM 739 CE2 PHE A2074 -1.265 -3.779 0.591 1.00 0.00 C ATOM 740 CZ PHE A2074 -1.593 -4.619 -0.458 1.00 0.00 C ATOM 0 H PHE A2074 -6.315 -0.412 1.911 1.00 0.00 H new ATOM 0 HA PHE A2074 -5.983 -3.184 1.401 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.953 -1.305 0.109 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -3.924 -0.952 1.483 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -4.730 -3.544 -1.044 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -1.922 -2.196 1.866 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -3.101 -5.191 -1.860 1.00 0.00 H new ATOM 0 HE2 PHE A2074 -0.291 -3.847 1.053 1.00 0.00 H new ATOM 0 HZ PHE A2074 -0.874 -5.340 -0.819 1.00 0.00 H new ATOM 750 N LEU A2075 -4.803 -1.977 4.215 1.00 0.00 N ATOM 751 CA LEU A2075 -4.324 -2.358 5.541 1.00 0.00 C ATOM 752 C LEU A2075 -5.293 -3.333 6.195 1.00 0.00 C ATOM 753 O LEU A2075 -4.877 -4.285 6.866 1.00 0.00 O ATOM 754 CB LEU A2075 -4.130 -1.136 6.440 1.00 0.00 C ATOM 755 CG LEU A2075 -3.038 -0.151 6.027 1.00 0.00 C ATOM 756 CD1 LEU A2075 -2.997 1.014 6.995 1.00 0.00 C ATOM 757 CD2 LEU A2075 -1.688 -0.851 5.988 1.00 0.00 C ATOM 0 H LEU A2075 -5.066 -0.995 4.129 1.00 0.00 H new ATOM 0 HA LEU A2075 -3.356 -2.843 5.414 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -5.075 -0.596 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -3.910 -1.486 7.448 1.00 0.00 H new ATOM 0 HG LEU A2075 -3.263 0.228 5.030 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -2.215 1.711 6.693 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -3.960 1.525 6.991 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -2.786 0.646 7.999 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -0.917 -0.139 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -1.455 -1.248 6.976 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -1.723 -1.668 5.268 1.00 0.00 H new ATOM 769 N ALA A2076 -6.579 -3.094 5.990 1.00 0.00 N ATOM 770 CA ALA A2076 -7.615 -3.980 6.496 1.00 0.00 C ATOM 771 C ALA A2076 -7.570 -5.309 5.743 1.00 0.00 C ATOM 772 O ALA A2076 -7.768 -6.371 6.320 1.00 0.00 O ATOM 773 CB ALA A2076 -8.983 -3.331 6.366 1.00 0.00 C ATOM 0 H ALA A2076 -6.931 -2.288 5.473 1.00 0.00 H new ATOM 0 HA ALA A2076 -7.434 -4.170 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -9.745 -4.009 6.750 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -9.001 -2.403 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -9.185 -3.115 5.317 1.00 0.00 H new ATOM 779 N TYR A2077 -7.253 -5.225 4.457 1.00 0.00 N ATOM 780 CA TYR A2077 -7.107 -6.381 3.571 1.00 0.00 C ATOM 781 C TYR A2077 -6.077 -7.363 4.140 1.00 0.00 C ATOM 782 O TYR A2077 -6.242 -8.571 4.027 1.00 0.00 O ATOM 783 CB TYR A2077 -6.670 -5.896 2.181 1.00 0.00 C ATOM 784 CG TYR A2077 -6.679 -6.958 1.119 1.00 0.00 C ATOM 785 CD1 TYR A2077 -7.837 -7.232 0.427 1.00 0.00 C ATOM 786 CD2 TYR A2077 -5.540 -7.690 0.815 1.00 0.00 C ATOM 787 CE1 TYR A2077 -7.875 -8.196 -0.544 1.00 0.00 C ATOM 788 CE2 TYR A2077 -5.563 -8.661 -0.158 1.00 0.00 C ATOM 789 CZ TYR A2077 -6.738 -8.913 -0.838 1.00 0.00 C ATOM 790 OH TYR A2077 -6.770 -9.894 -1.815 1.00 0.00 O ATOM 0 H TYR A2077 -7.086 -4.335 3.988 1.00 0.00 H new ATOM 0 HA TYR A2077 -8.063 -6.899 3.491 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -7.327 -5.084 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -5.664 -5.482 2.254 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -8.734 -6.675 0.655 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -4.623 -7.494 1.350 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -8.793 -8.393 -1.077 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -4.669 -9.222 -0.389 1.00 0.00 H new ATOM 0 HH TYR A2077 -5.883 -10.303 -1.898 1.00 0.00 H new ATOM 800 N MET A2078 -5.039 -6.819 4.775 1.00 0.00 N ATOM 801 CA MET A2078 -3.976 -7.621 5.404 1.00 0.00 C ATOM 802 C MET A2078 -4.544 -8.483 6.532 1.00 0.00 C ATOM 803 O MET A2078 -4.203 -9.655 6.668 1.00 0.00 O ATOM 804 CB MET A2078 -2.880 -6.714 5.981 1.00 0.00 C ATOM 805 CG MET A2078 -2.121 -5.875 4.963 1.00 0.00 C ATOM 806 SD MET A2078 -0.897 -4.792 5.751 1.00 0.00 S ATOM 807 CE MET A2078 -0.130 -4.043 4.313 1.00 0.00 C ATOM 0 H MET A2078 -4.906 -5.812 4.871 1.00 0.00 H new ATOM 0 HA MET A2078 -3.550 -8.263 4.633 1.00 0.00 H new ATOM 0 HB2 MET A2078 -3.334 -6.044 6.712 1.00 0.00 H new ATOM 0 HB3 MET A2078 -2.165 -7.335 6.520 1.00 0.00 H new ATOM 0 HG2 MET A2078 -1.619 -6.533 4.253 1.00 0.00 H new ATOM 0 HG3 MET A2078 -2.827 -5.270 4.393 1.00 0.00 H new ATOM 0 HE1 MET A2078 0.647 -3.349 4.635 1.00 0.00 H new ATOM 0 HE2 MET A2078 0.313 -4.820 3.691 1.00 0.00 H new ATOM 0 HE3 MET A2078 -0.883 -3.503 3.739 1.00 0.00 H new