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= 1.16 K(o=1.2,f=-7.2!) USER MOD Single : A2041 LYS NZ :NH3+ 160:sc= -0.0559 (180deg=-0.357) USER MOD Single : A2045 THR OG1 : rot -1:sc= 1.22 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= 0.349 K(o=0.35,f=-1.2) USER MOD Single : A2077 TYR OH : rot 180:sc= 0 USER MOD Single : A2078 MET CE :methyl 138:sc= -0.052 (180deg=-0.479) USER MOD ----------------------------------------------------------------- ATOM 60 N LEU A2032 7.728 -7.029 -3.330 1.00 0.00 N ATOM 61 CA LEU A2032 8.288 -5.675 -3.530 1.00 0.00 C ATOM 62 C LEU A2032 7.894 -5.030 -4.861 1.00 0.00 C ATOM 63 O LEU A2032 7.881 -3.796 -4.972 1.00 0.00 O ATOM 64 CB LEU A2032 9.817 -5.653 -3.352 1.00 0.00 C ATOM 65 CG LEU A2032 10.348 -6.090 -1.986 1.00 0.00 C ATOM 66 CD1 LEU A2032 11.858 -6.159 -2.012 1.00 0.00 C ATOM 67 CD2 LEU A2032 9.889 -5.134 -0.903 1.00 0.00 C ATOM 0 HA LEU A2032 7.836 -5.067 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A2032 10.259 -6.297 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A2032 10.169 -4.640 -3.548 1.00 0.00 H new ATOM 0 HG LEU A2032 9.951 -7.080 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A2032 12.225 -6.471 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A2032 12.176 -6.879 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A2032 12.263 -5.177 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A2032 10.277 -5.463 0.061 1.00 0.00 H new ATOM 0 HD22 LEU A2032 10.259 -4.132 -1.121 1.00 0.00 H new ATOM 0 HD23 LEU A2032 8.800 -5.119 -0.869 1.00 0.00 H new ATOM 79 N GLU A2033 7.546 -5.845 -5.839 1.00 0.00 N ATOM 80 CA GLU A2033 7.214 -5.363 -7.170 1.00 0.00 C ATOM 81 C GLU A2033 5.796 -4.798 -7.234 1.00 0.00 C ATOM 82 O GLU A2033 5.455 -4.080 -8.175 1.00 0.00 O ATOM 83 CB GLU A2033 7.364 -6.479 -8.200 1.00 0.00 C ATOM 84 CG GLU A2033 8.712 -7.177 -8.182 1.00 0.00 C ATOM 85 CD GLU A2033 8.846 -8.205 -9.280 1.00 0.00 C ATOM 86 OE1 GLU A2033 8.189 -9.267 -9.211 1.00 0.00 O ATOM 87 OE2 GLU A2033 9.596 -7.957 -10.241 1.00 0.00 O ATOM 0 H GLU A2033 7.485 -6.858 -5.735 1.00 0.00 H new ATOM 0 HA GLU A2033 7.912 -4.558 -7.401 1.00 0.00 H new ATOM 0 HB2 GLU A2033 6.583 -7.220 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A2033 7.198 -6.063 -9.194 1.00 0.00 H new ATOM 0 HG2 GLU A2033 9.503 -6.435 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A2033 8.854 -7.661 -7.216 1.00 0.00 H new ATOM 94 N THR A2034 4.984 -5.118 -6.242 1.00 0.00 N ATOM 95 CA THR A2034 3.630 -4.620 -6.192 1.00 0.00 C ATOM 96 C THR A2034 3.645 -3.115 -5.942 1.00 0.00 C ATOM 97 O THR A2034 4.633 -2.554 -5.414 1.00 0.00 O ATOM 98 CB THR A2034 2.779 -5.335 -5.089 1.00 0.00 C ATOM 99 OG1 THR A2034 1.410 -4.935 -5.164 1.00 0.00 O ATOM 100 CG2 THR A2034 3.305 -5.015 -3.705 1.00 0.00 C ATOM 0 H THR A2034 5.243 -5.721 -5.462 1.00 0.00 H new ATOM 0 HA THR A2034 3.163 -4.833 -7.154 1.00 0.00 H new ATOM 0 HB THR A2034 2.856 -6.408 -5.266 1.00 0.00 H new ATOM 0 HG1 THR A2034 0.896 -5.395 -4.467 1.00 0.00 H new ATOM 0 HG21 THR A2034 2.696 -5.524 -2.958 1.00 0.00 H new ATOM 0 HG22 THR A2034 4.338 -5.352 -3.622 1.00 0.00 H new ATOM 0 HG23 THR A2034 3.259 -3.939 -3.538 1.00 0.00 H new ATOM 108 N ARG A2035 2.594 -2.478 -6.324 1.00 0.00 N ATOM 109 CA ARG A2035 2.455 -1.075 -6.174 1.00 0.00 C ATOM 110 C ARG A2035 1.525 -0.858 -5.002 1.00 0.00 C ATOM 111 O ARG A2035 0.329 -1.157 -5.102 1.00 0.00 O ATOM 112 CB ARG A2035 1.828 -0.486 -7.435 1.00 0.00 C ATOM 113 CG ARG A2035 2.425 -0.995 -8.752 1.00 0.00 C ATOM 114 CD ARG A2035 3.888 -0.628 -8.929 1.00 0.00 C ATOM 115 NE ARG A2035 4.087 0.810 -9.064 1.00 0.00 N ATOM 116 CZ ARG A2035 5.080 1.398 -9.735 1.00 0.00 C ATOM 117 NH1 ARG A2035 6.062 0.670 -10.283 1.00 0.00 N ATOM 118 NH2 ARG A2035 5.092 2.713 -9.847 1.00 0.00 N ATOM 0 H ARG A2035 1.790 -2.930 -6.759 1.00 0.00 H new ATOM 0 HA ARG A2035 3.421 -0.596 -6.011 1.00 0.00 H new ATOM 0 HB2 ARG A2035 0.760 -0.705 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A2035 1.931 0.599 -7.402 1.00 0.00 H new ATOM 0 HG2 ARG A2035 2.322 -2.079 -8.795 1.00 0.00 H new ATOM 0 HG3 ARG A2035 1.852 -0.587 -9.585 1.00 0.00 H new ATOM 0 HD2 ARG A2035 4.457 -0.992 -8.074 1.00 0.00 H new ATOM 0 HD3 ARG A2035 4.282 -1.131 -9.812 1.00 0.00 H new ATOM 0 HE ARG A2035 3.409 1.419 -8.606 1.00 0.00 H new ATOM 0 HH11 ARG A2035 6.057 -0.346 -10.190 1.00 0.00 H new ATOM 0 HH12 ARG A2035 6.815 1.131 -10.793 1.00 0.00 H new ATOM 0 HH21 ARG A2035 4.348 3.268 -9.423 1.00 0.00 H new ATOM 0 HH22 ARG A2035 5.845 3.175 -10.357 1.00 0.00 H new ATOM 132 N ILE A2036 2.068 -0.427 -3.885 1.00 0.00 N ATOM 133 CA ILE A2036 1.270 -0.193 -2.696 1.00 0.00 C ATOM 134 C ILE A2036 0.439 1.070 -2.882 1.00 0.00 C ATOM 135 O ILE A2036 0.994 2.169 -3.034 1.00 0.00 O ATOM 136 CB ILE A2036 2.153 -0.077 -1.413 1.00 0.00 C ATOM 137 CG1 ILE A2036 2.936 -1.382 -1.170 1.00 0.00 C ATOM 138 CG2 ILE A2036 1.311 0.286 -0.177 1.00 0.00 C ATOM 139 CD1 ILE A2036 2.074 -2.616 -0.959 1.00 0.00 C ATOM 0 H ILE A2036 3.062 -0.230 -3.772 1.00 0.00 H new ATOM 0 HA ILE A2036 0.612 -1.051 -2.557 1.00 0.00 H new ATOM 0 HB ILE A2036 2.866 0.731 -1.577 1.00 0.00 H new ATOM 0 HG12 ILE A2036 3.594 -1.558 -2.021 1.00 0.00 H new ATOM 0 HG13 ILE A2036 3.574 -1.249 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.959 0.358 0.696 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.817 1.243 -0.342 1.00 0.00 H new ATOM 0 HG23 ILE A2036 0.560 -0.486 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A2036 2.714 -3.483 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A2036 1.434 -2.469 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A2036 1.455 -2.782 -1.841 1.00 0.00 H new ATOM 151 N PRO A2037 -0.893 0.930 -2.911 1.00 0.00 N ATOM 152 CA PRO A2037 -1.774 2.056 -3.082 1.00 0.00 C ATOM 153 C PRO A2037 -1.745 2.962 -1.865 1.00 0.00 C ATOM 154 O PRO A2037 -1.797 2.501 -0.710 1.00 0.00 O ATOM 155 CB PRO A2037 -3.152 1.423 -3.283 1.00 0.00 C ATOM 156 CG PRO A2037 -3.062 0.100 -2.631 1.00 0.00 C ATOM 157 CD PRO A2037 -1.636 -0.339 -2.763 1.00 0.00 C ATOM 0 HA PRO A2037 -1.488 2.692 -3.920 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -3.936 2.032 -2.833 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -3.391 1.326 -4.342 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -3.354 0.163 -1.583 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -3.734 -0.614 -3.107 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -1.306 -0.897 -1.887 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -1.495 -0.989 -3.627 1.00 0.00 H new ATOM 165 N VAL A2038 -1.633 4.231 -2.114 1.00 0.00 N ATOM 166 CA VAL A2038 -1.540 5.205 -1.064 1.00 0.00 C ATOM 167 C VAL A2038 -2.562 6.287 -1.273 1.00 0.00 C ATOM 168 O VAL A2038 -2.976 6.554 -2.408 1.00 0.00 O ATOM 169 CB VAL A2038 -0.119 5.842 -0.955 1.00 0.00 C ATOM 170 CG1 VAL A2038 0.910 4.818 -0.503 1.00 0.00 C ATOM 171 CG2 VAL A2038 0.304 6.462 -2.279 1.00 0.00 C ATOM 0 H VAL A2038 -1.603 4.624 -3.055 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.733 4.680 -0.128 1.00 0.00 H new ATOM 0 HB VAL A2038 -0.171 6.630 -0.204 1.00 0.00 H new ATOM 0 HG11 VAL A2038 1.890 5.291 -0.437 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.629 4.427 0.475 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.950 4.001 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A2038 1.297 6.899 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A2038 0.324 5.693 -3.051 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.406 7.239 -2.560 1.00 0.00 H new ATOM 181 N ILE A2039 -2.975 6.887 -0.210 1.00 0.00 N ATOM 182 CA ILE A2039 -3.937 7.937 -0.260 1.00 0.00 C ATOM 183 C ILE A2039 -3.430 9.143 0.521 1.00 0.00 C ATOM 184 O ILE A2039 -2.824 8.993 1.591 1.00 0.00 O ATOM 185 CB ILE A2039 -5.337 7.470 0.275 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.379 8.605 0.163 1.00 0.00 C ATOM 187 CG2 ILE A2039 -5.239 6.943 1.713 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.782 8.217 0.585 1.00 0.00 C ATOM 0 H ILE A2039 -2.651 6.661 0.730 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.073 8.222 -1.303 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.674 6.645 -0.352 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -6.049 9.445 0.774 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.408 8.954 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -6.226 6.628 2.053 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -4.556 6.094 1.744 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.865 7.732 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.446 9.074 0.473 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -8.137 7.399 -0.042 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.773 7.898 1.627 1.00 0.00 H new ATOM 200 N ASN A2040 -3.604 10.315 -0.048 1.00 0.00 N ATOM 201 CA ASN A2040 -3.262 11.553 0.626 1.00 0.00 C ATOM 202 C ASN A2040 -4.314 11.774 1.688 1.00 0.00 C ATOM 203 O ASN A2040 -5.487 11.908 1.357 1.00 0.00 O ATOM 204 CB ASN A2040 -3.286 12.735 -0.363 1.00 0.00 C ATOM 205 CG ASN A2040 -2.802 14.041 0.254 1.00 0.00 C ATOM 206 OD1 ASN A2040 -3.561 14.749 0.890 1.00 0.00 O ATOM 207 ND2 ASN A2040 -1.567 14.396 0.012 1.00 0.00 N ATOM 0 H ASN A2040 -3.984 10.439 -0.986 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.261 11.490 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -2.662 12.494 -1.224 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -4.302 12.870 -0.734 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -1.215 15.288 0.359 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -0.955 13.781 -0.524 1.00 0.00 H new ATOM 214 N LYS A2041 -3.915 11.803 2.936 1.00 0.00 N ATOM 215 CA LYS A2041 -4.870 11.909 4.043 1.00 0.00 C ATOM 216 C LYS A2041 -5.586 13.250 4.108 1.00 0.00 C ATOM 217 O LYS A2041 -6.646 13.360 4.725 1.00 0.00 O ATOM 218 CB LYS A2041 -4.230 11.578 5.387 1.00 0.00 C ATOM 219 CG LYS A2041 -3.983 10.097 5.640 1.00 0.00 C ATOM 220 CD LYS A2041 -5.290 9.306 5.603 1.00 0.00 C ATOM 221 CE LYS A2041 -5.128 7.901 6.157 1.00 0.00 C ATOM 222 NZ LYS A2041 -4.784 7.916 7.598 1.00 0.00 N ATOM 0 H LYS A2041 -2.938 11.755 3.224 1.00 0.00 H new ATOM 0 HA LYS A2041 -5.631 11.159 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -3.279 12.106 5.458 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -4.869 11.964 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -3.297 9.706 4.889 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -3.503 9.966 6.610 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -6.049 9.836 6.178 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -5.650 9.250 4.576 1.00 0.00 H new ATOM 0 HE2 LYS A2041 -6.053 7.343 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A2041 -4.348 7.379 5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 -5.009 6.992 8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 -3.768 8.110 7.710 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 -5.333 8.657 8.078 1.00 0.00 H new ATOM 236 N VAL A2042 -5.037 14.254 3.488 1.00 0.00 N ATOM 237 CA VAL A2042 -5.664 15.548 3.512 1.00 0.00 C ATOM 238 C VAL A2042 -6.651 15.679 2.351 1.00 0.00 C ATOM 239 O VAL A2042 -7.863 15.820 2.563 1.00 0.00 O ATOM 240 CB VAL A2042 -4.614 16.692 3.451 1.00 0.00 C ATOM 241 CG1 VAL A2042 -5.288 18.054 3.511 1.00 0.00 C ATOM 242 CG2 VAL A2042 -3.599 16.549 4.575 1.00 0.00 C ATOM 0 H VAL A2042 -4.164 14.206 2.963 1.00 0.00 H new ATOM 0 HA VAL A2042 -6.203 15.638 4.455 1.00 0.00 H new ATOM 0 HB VAL A2042 -4.088 16.616 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -4.531 18.837 3.467 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -5.970 18.160 2.667 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -5.847 18.142 4.442 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -2.873 17.359 4.515 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -4.112 16.592 5.536 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -3.084 15.593 4.481 1.00 0.00 H new ATOM 252 N ASP A2043 -6.140 15.548 1.145 1.00 0.00 N ATOM 253 CA ASP A2043 -6.932 15.755 -0.068 1.00 0.00 C ATOM 254 C ASP A2043 -7.835 14.581 -0.373 1.00 0.00 C ATOM 255 O ASP A2043 -9.014 14.753 -0.696 1.00 0.00 O ATOM 256 CB ASP A2043 -6.012 16.019 -1.266 1.00 0.00 C ATOM 257 CG ASP A2043 -6.777 16.163 -2.570 1.00 0.00 C ATOM 258 OD1 ASP A2043 -7.031 15.142 -3.235 1.00 0.00 O ATOM 259 OD2 ASP A2043 -7.120 17.305 -2.955 1.00 0.00 O ATOM 0 H ASP A2043 -5.167 15.296 0.969 1.00 0.00 H new ATOM 0 HA ASP A2043 -7.566 16.624 0.111 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -5.437 16.927 -1.084 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -5.297 15.202 -1.357 1.00 0.00 H new ATOM 264 N GLY A2044 -7.300 13.397 -0.263 1.00 0.00 N ATOM 265 CA GLY A2044 -8.051 12.224 -0.613 1.00 0.00 C ATOM 266 C GLY A2044 -7.573 11.636 -1.921 1.00 0.00 C ATOM 267 O GLY A2044 -8.193 10.703 -2.457 1.00 0.00 O ATOM 0 H GLY A2044 -6.351 13.219 0.065 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -7.958 11.480 0.178 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -9.109 12.476 -0.690 1.00 0.00 H new ATOM 271 N THR A2045 -6.496 12.216 -2.464 1.00 0.00 N ATOM 272 CA THR A2045 -5.867 11.712 -3.671 1.00 0.00 C ATOM 273 C THR A2045 -5.431 10.261 -3.445 1.00 0.00 C ATOM 274 O THR A2045 -4.591 9.988 -2.585 1.00 0.00 O ATOM 275 CB THR A2045 -4.620 12.561 -4.059 1.00 0.00 C ATOM 276 OG1 THR A2045 -4.979 13.943 -4.228 1.00 0.00 O ATOM 277 CG2 THR A2045 -3.993 12.058 -5.357 1.00 0.00 C ATOM 0 H THR A2045 -6.045 13.044 -2.074 1.00 0.00 H new ATOM 0 HA THR A2045 -6.592 11.773 -4.483 1.00 0.00 H new ATOM 0 HB THR A2045 -3.898 12.463 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A2045 -5.941 14.052 -4.076 1.00 0.00 H new ATOM 0 HG21 THR A2045 -3.125 12.670 -5.603 1.00 0.00 H new ATOM 0 HG22 THR A2045 -3.683 11.021 -5.233 1.00 0.00 H new ATOM 0 HG23 THR A2045 -4.723 12.124 -6.163 1.00 0.00 H new ATOM 285 N LEU A2046 -6.026 9.361 -4.171 1.00 0.00 N ATOM 286 CA LEU A2046 -5.735 7.961 -4.044 1.00 0.00 C ATOM 287 C LEU A2046 -4.925 7.499 -5.242 1.00 0.00 C ATOM 288 O LEU A2046 -5.320 7.717 -6.387 1.00 0.00 O ATOM 289 CB LEU A2046 -7.043 7.168 -3.948 1.00 0.00 C ATOM 290 CG LEU A2046 -6.902 5.650 -3.863 1.00 0.00 C ATOM 291 CD1 LEU A2046 -6.176 5.231 -2.597 1.00 0.00 C ATOM 292 CD2 LEU A2046 -8.255 4.978 -3.954 1.00 0.00 C ATOM 0 H LEU A2046 -6.733 9.578 -4.874 1.00 0.00 H new ATOM 0 HA LEU A2046 -5.154 7.790 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.589 7.512 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -7.655 7.408 -4.818 1.00 0.00 H new ATOM 0 HG LEU A2046 -6.301 5.326 -4.712 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -6.093 4.145 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -5.179 5.672 -2.586 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.734 5.575 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -8.129 3.897 -3.891 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -8.886 5.318 -3.133 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -8.725 5.234 -4.903 1.00 0.00 H new ATOM 304 N LEU A2047 -3.804 6.887 -4.981 1.00 0.00 N ATOM 305 CA LEU A2047 -2.946 6.383 -6.023 1.00 0.00 C ATOM 306 C LEU A2047 -3.041 4.884 -6.032 1.00 0.00 C ATOM 307 O LEU A2047 -2.678 4.235 -5.054 1.00 0.00 O ATOM 308 CB LEU A2047 -1.490 6.817 -5.813 1.00 0.00 C ATOM 309 CG LEU A2047 -1.247 8.325 -5.615 1.00 0.00 C ATOM 310 CD1 LEU A2047 0.230 8.607 -5.447 1.00 0.00 C ATOM 311 CD2 LEU A2047 -1.810 9.137 -6.771 1.00 0.00 C ATOM 0 H LEU A2047 -3.456 6.722 -4.037 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.271 6.792 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.099 6.291 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -0.908 6.487 -6.673 1.00 0.00 H new ATOM 0 HG LEU A2047 -1.770 8.627 -4.708 1.00 0.00 H new ATOM 0 HD11 LEU A2047 0.383 9.677 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.606 8.071 -4.576 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.767 8.276 -6.336 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -1.621 10.196 -6.598 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -1.329 8.830 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -2.884 8.968 -6.845 1.00 0.00 H new ATOM 323 N VAL A2048 -3.551 4.344 -7.109 1.00 0.00 N ATOM 324 CA VAL A2048 -3.724 2.910 -7.264 1.00 0.00 C ATOM 325 C VAL A2048 -3.183 2.477 -8.608 1.00 0.00 C ATOM 326 O VAL A2048 -2.873 3.329 -9.466 1.00 0.00 O ATOM 327 CB VAL A2048 -5.216 2.463 -7.137 1.00 0.00 C ATOM 328 CG1 VAL A2048 -5.732 2.665 -5.726 1.00 0.00 C ATOM 329 CG2 VAL A2048 -6.104 3.208 -8.131 1.00 0.00 C ATOM 0 H VAL A2048 -3.863 4.887 -7.914 1.00 0.00 H new ATOM 0 HA VAL A2048 -3.172 2.431 -6.455 1.00 0.00 H new ATOM 0 HB VAL A2048 -5.255 1.399 -7.370 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -6.772 2.345 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -5.133 2.076 -5.032 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -5.662 3.720 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -7.136 2.875 -8.018 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -6.045 4.279 -7.939 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -5.766 3.002 -9.146 1.00 0.00 H new ATOM 339 N GLY A2049 -3.050 1.187 -8.794 1.00 0.00 N ATOM 340 CA GLY A2049 -2.563 0.669 -10.039 1.00 0.00 C ATOM 341 C GLY A2049 -1.094 0.917 -10.170 1.00 0.00 C ATOM 342 O GLY A2049 -0.356 0.767 -9.209 1.00 0.00 O ATOM 0 H GLY A2049 -3.274 0.479 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -2.764 -0.401 -10.098 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -3.093 1.139 -10.868 1.00 0.00 H new ATOM 346 N GLU A2050 -0.680 1.386 -11.312 1.00 0.00 N ATOM 347 CA GLU A2050 0.724 1.638 -11.572 1.00 0.00 C ATOM 348 C GLU A2050 1.124 3.001 -11.091 1.00 0.00 C ATOM 349 O GLU A2050 2.306 3.324 -10.991 1.00 0.00 O ATOM 350 CB GLU A2050 1.088 1.454 -13.048 1.00 0.00 C ATOM 351 CG GLU A2050 0.400 2.396 -14.019 1.00 0.00 C ATOM 352 CD GLU A2050 -1.081 2.151 -14.164 1.00 0.00 C ATOM 353 OE1 GLU A2050 -1.874 2.695 -13.364 1.00 0.00 O ATOM 354 OE2 GLU A2050 -1.475 1.405 -15.057 1.00 0.00 O ATOM 0 H GLU A2050 -1.298 1.607 -12.093 1.00 0.00 H new ATOM 0 HA GLU A2050 1.286 0.893 -11.010 1.00 0.00 H new ATOM 0 HB2 GLU A2050 2.166 1.575 -13.155 1.00 0.00 H new ATOM 0 HB3 GLU A2050 0.852 0.429 -13.336 1.00 0.00 H new ATOM 0 HG2 GLU A2050 0.558 3.422 -13.687 1.00 0.00 H new ATOM 0 HG3 GLU A2050 0.871 2.301 -14.997 1.00 0.00 H new ATOM 361 N ASP A2051 0.133 3.791 -10.763 1.00 0.00 N ATOM 362 CA ASP A2051 0.362 5.146 -10.321 1.00 0.00 C ATOM 363 C ASP A2051 0.831 5.130 -8.897 1.00 0.00 C ATOM 364 O ASP A2051 1.542 6.018 -8.448 1.00 0.00 O ATOM 365 CB ASP A2051 -0.902 5.940 -10.424 1.00 0.00 C ATOM 366 CG ASP A2051 -0.617 7.411 -10.600 1.00 0.00 C ATOM 367 OD1 ASP A2051 -0.281 7.827 -11.726 1.00 0.00 O ATOM 368 OD2 ASP A2051 -0.732 8.181 -9.645 1.00 0.00 O ATOM 0 H ASP A2051 -0.849 3.517 -10.794 1.00 0.00 H new ATOM 0 HA ASP A2051 1.121 5.606 -10.953 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -1.492 5.579 -11.266 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -1.502 5.789 -9.527 1.00 0.00 H new ATOM 373 N ALA A2052 0.450 4.089 -8.201 1.00 0.00 N ATOM 374 CA ALA A2052 0.847 3.883 -6.846 1.00 0.00 C ATOM 375 C ALA A2052 2.309 3.452 -6.832 1.00 0.00 C ATOM 376 O ALA A2052 2.738 2.713 -7.722 1.00 0.00 O ATOM 377 CB ALA A2052 -0.038 2.832 -6.215 1.00 0.00 C ATOM 0 H ALA A2052 -0.153 3.355 -8.572 1.00 0.00 H new ATOM 0 HA ALA A2052 0.742 4.802 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.265 2.675 -5.180 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -1.075 3.166 -6.242 1.00 0.00 H new ATOM 0 HB3 ALA A2052 0.057 1.897 -6.767 1.00 0.00 H new ATOM 383 N PRO A2053 3.092 3.936 -5.870 1.00 0.00 N ATOM 384 CA PRO A2053 4.520 3.632 -5.783 1.00 0.00 C ATOM 385 C PRO A2053 4.810 2.148 -5.537 1.00 0.00 C ATOM 386 O PRO A2053 4.063 1.446 -4.839 1.00 0.00 O ATOM 387 CB PRO A2053 5.008 4.478 -4.601 1.00 0.00 C ATOM 388 CG PRO A2053 3.784 4.765 -3.806 1.00 0.00 C ATOM 389 CD PRO A2053 2.656 4.828 -4.784 1.00 0.00 C ATOM 0 HA PRO A2053 5.025 3.857 -6.722 1.00 0.00 H new ATOM 0 HB2 PRO A2053 5.747 3.939 -4.008 1.00 0.00 H new ATOM 0 HB3 PRO A2053 5.482 5.398 -4.943 1.00 0.00 H new ATOM 0 HG2 PRO A2053 3.611 3.987 -3.063 1.00 0.00 H new ATOM 0 HG3 PRO A2053 3.883 5.706 -3.265 1.00 0.00 H new ATOM 0 HD2 PRO A2053 1.720 4.491 -4.339 1.00 0.00 H new ATOM 0 HD3 PRO A2053 2.491 5.844 -5.141 1.00 0.00 H new ATOM 397 N ARG A2054 5.887 1.683 -6.126 1.00 0.00 N ATOM 398 CA ARG A2054 6.351 0.328 -5.987 1.00 0.00 C ATOM 399 C ARG A2054 6.726 0.113 -4.531 1.00 0.00 C ATOM 400 O ARG A2054 7.317 0.990 -3.929 1.00 0.00 O ATOM 401 CB ARG A2054 7.595 0.182 -6.848 1.00 0.00 C ATOM 402 CG ARG A2054 8.107 -1.216 -7.031 1.00 0.00 C ATOM 403 CD ARG A2054 9.477 -1.189 -7.706 1.00 0.00 C ATOM 404 NE ARG A2054 9.515 -0.234 -8.825 1.00 0.00 N ATOM 405 CZ ARG A2054 9.829 -0.528 -10.091 1.00 0.00 C ATOM 406 NH1 ARG A2054 10.149 -1.772 -10.440 1.00 0.00 N ATOM 407 NH2 ARG A2054 9.820 0.429 -11.002 1.00 0.00 N ATOM 0 H ARG A2054 6.478 2.254 -6.730 1.00 0.00 H new ATOM 0 HA ARG A2054 5.591 -0.392 -6.289 1.00 0.00 H new ATOM 0 HB2 ARG A2054 7.384 0.602 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A2054 8.390 0.784 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A2054 8.179 -1.715 -6.064 1.00 0.00 H new ATOM 0 HG3 ARG A2054 7.406 -1.792 -7.636 1.00 0.00 H new ATOM 0 HD2 ARG A2054 10.238 -0.921 -6.973 1.00 0.00 H new ATOM 0 HD3 ARG A2054 9.723 -2.186 -8.071 1.00 0.00 H new ATOM 0 HE ARG A2054 9.281 0.737 -8.617 1.00 0.00 H new ATOM 0 HH11 ARG A2054 10.156 -2.513 -9.739 1.00 0.00 H new ATOM 0 HH12 ARG A2054 10.387 -1.985 -11.409 1.00 0.00 H new ATOM 0 HH21 ARG A2054 9.575 1.383 -10.737 1.00 0.00 H new ATOM 0 HH22 ARG A2054 10.058 0.214 -11.970 1.00 0.00 H new ATOM 421 N ARG A2055 6.392 -1.032 -3.972 1.00 0.00 N ATOM 422 CA ARG A2055 6.701 -1.339 -2.569 1.00 0.00 C ATOM 423 C ARG A2055 8.196 -1.133 -2.248 1.00 0.00 C ATOM 424 O ARG A2055 8.544 -0.611 -1.185 1.00 0.00 O ATOM 425 CB ARG A2055 6.253 -2.763 -2.207 1.00 0.00 C ATOM 426 CG ARG A2055 6.739 -3.249 -0.845 1.00 0.00 C ATOM 427 CD ARG A2055 6.227 -2.406 0.318 1.00 0.00 C ATOM 428 NE ARG A2055 6.958 -2.710 1.556 1.00 0.00 N ATOM 429 CZ ARG A2055 6.522 -2.458 2.799 1.00 0.00 C ATOM 430 NH1 ARG A2055 5.274 -2.029 3.006 1.00 0.00 N ATOM 431 NH2 ARG A2055 7.325 -2.678 3.833 1.00 0.00 N ATOM 0 H ARG A2055 5.902 -1.779 -4.464 1.00 0.00 H new ATOM 0 HA ARG A2055 6.139 -0.636 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A2055 5.164 -2.804 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A2055 6.612 -3.450 -2.974 1.00 0.00 H new ATOM 0 HG2 ARG A2055 6.422 -4.282 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A2055 7.829 -3.245 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A2055 6.335 -1.348 0.079 1.00 0.00 H new ATOM 0 HD3 ARG A2055 5.163 -2.593 0.465 1.00 0.00 H new ATOM 0 HE ARG A2055 7.874 -3.149 1.462 1.00 0.00 H new ATOM 0 HH11 ARG A2055 4.645 -1.891 2.215 1.00 0.00 H new ATOM 0 HH12 ARG A2055 4.951 -1.840 3.955 1.00 0.00 H new ATOM 0 HH21 ARG A2055 8.267 -3.037 3.680 1.00 0.00 H new ATOM 0 HH22 ARG A2055 7.000 -2.488 4.781 1.00 0.00 H new ATOM 445 N ALA A2056 9.049 -1.491 -3.181 1.00 0.00 N ATOM 446 CA ALA A2056 10.494 -1.349 -3.011 1.00 0.00 C ATOM 447 C ALA A2056 10.929 0.119 -2.843 1.00 0.00 C ATOM 448 O ALA A2056 11.955 0.398 -2.222 1.00 0.00 O ATOM 449 CB ALA A2056 11.221 -1.979 -4.183 1.00 0.00 C ATOM 0 H ALA A2056 8.771 -1.888 -4.079 1.00 0.00 H new ATOM 0 HA ALA A2056 10.761 -1.868 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.297 -1.868 -4.046 1.00 0.00 H new ATOM 0 HB2 ALA A2056 10.970 -3.038 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.920 -1.485 -5.106 1.00 0.00 H new ATOM 455 N GLU A2057 10.146 1.051 -3.376 1.00 0.00 N ATOM 456 CA GLU A2057 10.491 2.463 -3.291 1.00 0.00 C ATOM 457 C GLU A2057 9.516 3.207 -2.374 1.00 0.00 C ATOM 458 O GLU A2057 9.730 4.353 -2.057 1.00 0.00 O ATOM 459 CB GLU A2057 10.496 3.107 -4.690 1.00 0.00 C ATOM 460 CG GLU A2057 9.119 3.205 -5.338 1.00 0.00 C ATOM 461 CD GLU A2057 9.169 3.676 -6.767 1.00 0.00 C ATOM 462 OE1 GLU A2057 9.398 2.845 -7.672 1.00 0.00 O ATOM 463 OE2 GLU A2057 8.968 4.883 -7.016 1.00 0.00 O ATOM 0 H GLU A2057 9.274 0.855 -3.868 1.00 0.00 H new ATOM 0 HA GLU A2057 11.493 2.539 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A2057 10.922 4.107 -4.616 1.00 0.00 H new ATOM 0 HB3 GLU A2057 11.151 2.529 -5.341 1.00 0.00 H new ATOM 0 HG2 GLU A2057 8.637 2.228 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A2057 8.499 3.889 -4.758 1.00 0.00 H new ATOM 470 N LEU A2058 8.468 2.508 -1.938 1.00 0.00 N ATOM 471 CA LEU A2058 7.363 3.053 -1.112 1.00 0.00 C ATOM 472 C LEU A2058 7.908 3.794 0.104 1.00 0.00 C ATOM 473 O LEU A2058 7.513 4.927 0.390 1.00 0.00 O ATOM 474 CB LEU A2058 6.414 1.867 -0.716 1.00 0.00 C ATOM 475 CG LEU A2058 5.131 2.122 0.131 1.00 0.00 C ATOM 476 CD1 LEU A2058 5.432 2.413 1.590 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.290 3.229 -0.474 1.00 0.00 C ATOM 0 H LEU A2058 8.350 1.517 -2.150 1.00 0.00 H new ATOM 0 HA LEU A2058 6.790 3.786 -1.679 1.00 0.00 H new ATOM 0 HB2 LEU A2058 6.097 1.388 -1.642 1.00 0.00 H new ATOM 0 HB3 LEU A2058 7.018 1.141 -0.172 1.00 0.00 H new ATOM 0 HG LEU A2058 4.560 1.194 0.108 1.00 0.00 H new ATOM 0 HD11 LEU A2058 4.499 2.582 2.127 1.00 0.00 H new ATOM 0 HD12 LEU A2058 5.956 1.564 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A2058 6.058 3.302 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.401 3.386 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A2058 4.872 4.150 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A2058 3.991 2.948 -1.484 1.00 0.00 H new ATOM 489 N GLU A2059 8.834 3.158 0.773 1.00 0.00 N ATOM 490 CA GLU A2059 9.494 3.702 1.950 1.00 0.00 C ATOM 491 C GLU A2059 10.206 5.037 1.631 1.00 0.00 C ATOM 492 O GLU A2059 10.078 6.022 2.361 1.00 0.00 O ATOM 493 CB GLU A2059 10.482 2.655 2.478 1.00 0.00 C ATOM 494 CG GLU A2059 11.367 2.068 1.380 1.00 0.00 C ATOM 495 CD GLU A2059 12.398 1.112 1.884 1.00 0.00 C ATOM 496 OE1 GLU A2059 13.438 1.568 2.372 1.00 0.00 O ATOM 497 OE2 GLU A2059 12.210 -0.116 1.736 1.00 0.00 O ATOM 0 H GLU A2059 9.163 2.227 0.516 1.00 0.00 H new ATOM 0 HA GLU A2059 8.751 3.923 2.716 1.00 0.00 H new ATOM 0 HB2 GLU A2059 11.113 3.110 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A2059 9.928 1.850 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A2059 10.736 1.557 0.652 1.00 0.00 H new ATOM 0 HG3 GLU A2059 11.866 2.882 0.854 1.00 0.00 H new ATOM 504 N MET A2060 10.898 5.058 0.509 1.00 0.00 N ATOM 505 CA MET A2060 11.664 6.214 0.055 1.00 0.00 C ATOM 506 C MET A2060 10.733 7.289 -0.494 1.00 0.00 C ATOM 507 O MET A2060 11.006 8.479 -0.410 1.00 0.00 O ATOM 508 CB MET A2060 12.670 5.782 -1.021 1.00 0.00 C ATOM 509 CG MET A2060 13.710 4.780 -0.537 1.00 0.00 C ATOM 510 SD MET A2060 14.783 4.188 -1.860 1.00 0.00 S ATOM 511 CE MET A2060 15.847 3.068 -0.944 1.00 0.00 C ATOM 0 H MET A2060 10.948 4.262 -0.127 1.00 0.00 H new ATOM 0 HA MET A2060 12.207 6.631 0.903 1.00 0.00 H new ATOM 0 HB2 MET A2060 12.125 5.347 -1.858 1.00 0.00 H new ATOM 0 HB3 MET A2060 13.182 6.666 -1.399 1.00 0.00 H new ATOM 0 HG2 MET A2060 14.320 5.243 0.239 1.00 0.00 H new ATOM 0 HG3 MET A2060 13.203 3.930 -0.079 1.00 0.00 H new ATOM 0 HE1 MET A2060 16.571 2.617 -1.623 1.00 0.00 H new ATOM 0 HE2 MET A2060 16.374 3.621 -0.166 1.00 0.00 H new ATOM 0 HE3 MET A2060 15.243 2.285 -0.486 1.00 0.00 H new ATOM 521 N TRP A2061 9.632 6.852 -1.046 1.00 0.00 N ATOM 522 CA TRP A2061 8.651 7.728 -1.637 1.00 0.00 C ATOM 523 C TRP A2061 7.941 8.536 -0.547 1.00 0.00 C ATOM 524 O TRP A2061 7.785 9.753 -0.667 1.00 0.00 O ATOM 525 CB TRP A2061 7.658 6.901 -2.453 1.00 0.00 C ATOM 526 CG TRP A2061 6.706 7.712 -3.248 1.00 0.00 C ATOM 527 CD1 TRP A2061 6.923 8.232 -4.481 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.384 8.096 -2.874 1.00 0.00 C ATOM 529 NE1 TRP A2061 5.823 8.923 -4.900 1.00 0.00 N ATOM 530 CE2 TRP A2061 4.861 8.857 -3.930 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.595 7.871 -1.744 1.00 0.00 C ATOM 532 CZ2 TRP A2061 3.586 9.397 -3.895 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.334 8.409 -1.712 1.00 0.00 C ATOM 534 CH2 TRP A2061 2.840 9.161 -2.783 1.00 0.00 C ATOM 0 H TRP A2061 9.386 5.863 -1.099 1.00 0.00 H new ATOM 0 HA TRP A2061 9.143 8.434 -2.305 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.213 6.247 -3.126 1.00 0.00 H new ATOM 0 HB3 TRP A2061 7.095 6.258 -1.777 1.00 0.00 H new ATOM 0 HD1 TRP A2061 7.834 8.116 -5.049 1.00 0.00 H new ATOM 0 HE1 TRP A2061 5.733 9.410 -5.792 1.00 0.00 H new ATOM 0 HE3 TRP A2061 4.969 7.288 -0.916 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.200 9.981 -4.717 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.711 8.249 -0.844 1.00 0.00 H new ATOM 0 HH2 TRP A2061 1.840 9.565 -2.725 1.00 0.00 H new ATOM 545 N LEU A2062 7.546 7.850 0.525 1.00 0.00 N ATOM 546 CA LEU A2062 6.897 8.479 1.687 1.00 0.00 C ATOM 547 C LEU A2062 7.813 9.504 2.340 1.00 0.00 C ATOM 548 O LEU A2062 7.358 10.503 2.894 1.00 0.00 O ATOM 549 CB LEU A2062 6.415 7.444 2.707 1.00 0.00 C ATOM 550 CG LEU A2062 5.271 6.526 2.252 1.00 0.00 C ATOM 551 CD1 LEU A2062 4.940 5.527 3.332 1.00 0.00 C ATOM 552 CD2 LEU A2062 4.031 7.338 1.898 1.00 0.00 C ATOM 0 H LEU A2062 7.665 6.841 0.618 1.00 0.00 H new ATOM 0 HA LEU A2062 6.014 9.000 1.316 1.00 0.00 H new ATOM 0 HB2 LEU A2062 7.263 6.820 2.989 1.00 0.00 H new ATOM 0 HB3 LEU A2062 6.094 7.972 3.605 1.00 0.00 H new ATOM 0 HG LEU A2062 5.600 5.991 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A2062 4.127 4.883 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A2062 5.819 4.919 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A2062 4.634 6.055 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A2062 3.235 6.666 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A2062 3.702 7.900 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A2062 4.268 8.030 1.090 1.00 0.00 H new ATOM 564 N GLN A2063 9.106 9.238 2.278 1.00 0.00 N ATOM 565 CA GLN A2063 10.131 10.135 2.770 1.00 0.00 C ATOM 566 C GLN A2063 9.982 11.530 2.115 1.00 0.00 C ATOM 567 O GLN A2063 10.250 12.565 2.736 1.00 0.00 O ATOM 568 CB GLN A2063 11.484 9.548 2.408 1.00 0.00 C ATOM 569 CG GLN A2063 12.656 10.355 2.865 1.00 0.00 C ATOM 570 CD GLN A2063 13.958 9.859 2.288 1.00 0.00 C ATOM 571 OE1 GLN A2063 14.369 10.285 1.210 1.00 0.00 O ATOM 572 NE2 GLN A2063 14.631 8.997 2.992 1.00 0.00 N ATOM 0 H GLN A2063 9.477 8.377 1.877 1.00 0.00 H new ATOM 0 HA GLN A2063 10.037 10.248 3.850 1.00 0.00 H new ATOM 0 HB2 GLN A2063 11.558 8.549 2.837 1.00 0.00 H new ATOM 0 HB3 GLN A2063 11.538 9.435 1.325 1.00 0.00 H new ATOM 0 HG2 GLN A2063 12.509 11.397 2.580 1.00 0.00 H new ATOM 0 HG3 GLN A2063 12.710 10.327 3.953 1.00 0.00 H new ATOM 0 HE21 GLN A2063 14.260 8.665 3.882 1.00 0.00 H new ATOM 0 HE22 GLN A2063 15.530 8.653 2.654 1.00 0.00 H new ATOM 581 N GLY A2064 9.532 11.544 0.882 1.00 0.00 N ATOM 582 CA GLY A2064 9.356 12.790 0.175 1.00 0.00 C ATOM 583 C GLY A2064 7.904 13.212 0.068 1.00 0.00 C ATOM 584 O GLY A2064 7.606 14.287 -0.448 1.00 0.00 O ATOM 0 H GLY A2064 9.282 10.710 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A2064 9.919 13.572 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A2064 9.776 12.695 -0.827 1.00 0.00 H new ATOM 588 N HIS A2065 7.010 12.372 0.548 1.00 0.00 N ATOM 589 CA HIS A2065 5.574 12.631 0.483 1.00 0.00 C ATOM 590 C HIS A2065 4.915 12.173 1.786 1.00 0.00 C ATOM 591 O HIS A2065 4.330 11.097 1.851 1.00 0.00 O ATOM 592 CB HIS A2065 4.920 11.901 -0.718 1.00 0.00 C ATOM 593 CG HIS A2065 5.472 12.268 -2.066 1.00 0.00 C ATOM 594 ND1 HIS A2065 6.527 11.613 -2.665 1.00 0.00 N ATOM 595 CD2 HIS A2065 5.095 13.235 -2.934 1.00 0.00 C ATOM 596 CE1 HIS A2065 6.755 12.187 -3.845 1.00 0.00 C ATOM 597 NE2 HIS A2065 5.911 13.182 -4.063 1.00 0.00 N ATOM 0 H HIS A2065 7.252 11.488 0.996 1.00 0.00 H new ATOM 0 HA HIS A2065 5.426 13.702 0.346 1.00 0.00 H new ATOM 0 HB2 HIS A2065 5.035 10.826 -0.576 1.00 0.00 H new ATOM 0 HB3 HIS A2065 3.850 12.111 -0.712 1.00 0.00 H new ATOM 0 HD1 HIS A2065 7.043 10.826 -2.273 1.00 0.00 H new ATOM 0 HD2 HIS A2065 4.289 13.937 -2.777 1.00 0.00 H new ATOM 0 HE1 HIS A2065 7.528 11.880 -4.534 1.00 0.00 H new ATOM 605 N PRO A2066 5.024 12.980 2.852 1.00 0.00 N ATOM 606 CA PRO A2066 4.524 12.615 4.189 1.00 0.00 C ATOM 607 C PRO A2066 3.024 12.847 4.355 1.00 0.00 C ATOM 608 O PRO A2066 2.489 12.734 5.444 1.00 0.00 O ATOM 609 CB PRO A2066 5.295 13.568 5.099 1.00 0.00 C ATOM 610 CG PRO A2066 5.469 14.795 4.272 1.00 0.00 C ATOM 611 CD PRO A2066 5.660 14.314 2.856 1.00 0.00 C ATOM 0 HA PRO A2066 4.667 11.555 4.399 1.00 0.00 H new ATOM 0 HB2 PRO A2066 4.743 13.779 6.015 1.00 0.00 H new ATOM 0 HB3 PRO A2066 6.256 13.147 5.395 1.00 0.00 H new ATOM 0 HG2 PRO A2066 4.598 15.445 4.350 1.00 0.00 H new ATOM 0 HG3 PRO A2066 6.330 15.374 4.608 1.00 0.00 H new ATOM 0 HD2 PRO A2066 5.188 14.985 2.138 1.00 0.00 H new ATOM 0 HD3 PRO A2066 6.716 14.255 2.592 1.00 0.00 H new ATOM 619 N GLU A2067 2.360 13.175 3.283 1.00 0.00 N ATOM 620 CA GLU A2067 0.943 13.464 3.333 1.00 0.00 C ATOM 621 C GLU A2067 0.147 12.263 2.844 1.00 0.00 C ATOM 622 O GLU A2067 -1.077 12.311 2.719 1.00 0.00 O ATOM 623 CB GLU A2067 0.643 14.683 2.478 1.00 0.00 C ATOM 624 CG GLU A2067 1.461 15.903 2.857 1.00 0.00 C ATOM 625 CD GLU A2067 1.113 17.097 2.028 1.00 0.00 C ATOM 626 OE1 GLU A2067 1.599 17.207 0.886 1.00 0.00 O ATOM 627 OE2 GLU A2067 0.347 17.943 2.498 1.00 0.00 O ATOM 0 H GLU A2067 2.775 13.251 2.354 1.00 0.00 H new ATOM 0 HA GLU A2067 0.653 13.673 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A2067 0.832 14.439 1.432 1.00 0.00 H new ATOM 0 HB3 GLU A2067 -0.416 14.925 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A2067 1.299 16.134 3.910 1.00 0.00 H new ATOM 0 HG3 GLU A2067 2.521 15.678 2.740 1.00 0.00 H new ATOM 634 N PHE A2068 0.848 11.191 2.571 1.00 0.00 N ATOM 635 CA PHE A2068 0.236 9.987 2.071 1.00 0.00 C ATOM 636 C PHE A2068 0.369 8.873 3.074 1.00 0.00 C ATOM 637 O PHE A2068 1.318 8.842 3.867 1.00 0.00 O ATOM 638 CB PHE A2068 0.849 9.560 0.734 1.00 0.00 C ATOM 639 CG PHE A2068 0.536 10.463 -0.427 1.00 0.00 C ATOM 640 CD1 PHE A2068 1.233 11.645 -0.621 1.00 0.00 C ATOM 641 CD2 PHE A2068 -0.444 10.114 -1.339 1.00 0.00 C ATOM 642 CE1 PHE A2068 0.957 12.460 -1.698 1.00 0.00 C ATOM 643 CE2 PHE A2068 -0.730 10.926 -2.419 1.00 0.00 C ATOM 644 CZ PHE A2068 -0.028 12.102 -2.600 1.00 0.00 C ATOM 0 H PHE A2068 1.859 11.129 2.689 1.00 0.00 H new ATOM 0 HA PHE A2068 -0.821 10.199 1.908 1.00 0.00 H new ATOM 0 HB2 PHE A2068 1.931 9.504 0.849 1.00 0.00 H new ATOM 0 HB3 PHE A2068 0.501 8.555 0.497 1.00 0.00 H new ATOM 0 HD1 PHE A2068 2.002 11.931 0.081 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -0.993 9.194 -1.205 1.00 0.00 H new ATOM 0 HE1 PHE A2068 1.510 13.377 -1.837 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -1.501 10.642 -3.120 1.00 0.00 H new ATOM 0 HZ PHE A2068 -0.248 12.740 -3.443 1.00 0.00 H new ATOM 654 N ALA A2069 -0.584 7.996 3.061 1.00 0.00 N ATOM 655 CA ALA A2069 -0.602 6.837 3.909 1.00 0.00 C ATOM 656 C ALA A2069 -1.111 5.682 3.090 1.00 0.00 C ATOM 657 O ALA A2069 -1.619 5.907 1.992 1.00 0.00 O ATOM 658 CB ALA A2069 -1.509 7.076 5.100 1.00 0.00 C ATOM 0 H ALA A2069 -1.395 8.064 2.446 1.00 0.00 H new ATOM 0 HA ALA A2069 0.398 6.624 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -1.515 6.191 5.736 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -1.143 7.930 5.670 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -2.522 7.279 4.751 1.00 0.00 H new ATOM 664 N VAL A2070 -0.982 4.472 3.597 1.00 0.00 N ATOM 665 CA VAL A2070 -1.450 3.284 2.884 1.00 0.00 C ATOM 666 C VAL A2070 -2.983 3.312 2.718 1.00 0.00 C ATOM 667 O VAL A2070 -3.712 3.743 3.626 1.00 0.00 O ATOM 668 CB VAL A2070 -0.990 1.955 3.593 1.00 0.00 C ATOM 669 CG1 VAL A2070 -1.511 1.861 5.022 1.00 0.00 C ATOM 670 CG2 VAL A2070 -1.400 0.720 2.787 1.00 0.00 C ATOM 0 H VAL A2070 -0.556 4.278 4.503 1.00 0.00 H new ATOM 0 HA VAL A2070 -0.994 3.300 1.894 1.00 0.00 H new ATOM 0 HB VAL A2070 0.099 1.985 3.640 1.00 0.00 H new ATOM 0 HG11 VAL A2070 -1.170 0.929 5.473 1.00 0.00 H new ATOM 0 HG12 VAL A2070 -1.135 2.704 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -2.601 1.883 5.014 1.00 0.00 H new ATOM 0 HG21 VAL A2070 -1.067 -0.179 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A2070 -2.485 0.698 2.682 1.00 0.00 H new ATOM 0 HG23 VAL A2070 -0.941 0.761 1.799 1.00 0.00 H new ATOM 680 N ASP A2071 -3.439 2.915 1.543 1.00 0.00 N ATOM 681 CA ASP A2071 -4.858 2.848 1.220 1.00 0.00 C ATOM 682 C ASP A2071 -5.583 1.852 2.126 1.00 0.00 C ATOM 683 O ASP A2071 -5.225 0.662 2.173 1.00 0.00 O ATOM 684 CB ASP A2071 -5.045 2.467 -0.259 1.00 0.00 C ATOM 685 CG ASP A2071 -6.493 2.231 -0.682 1.00 0.00 C ATOM 686 OD1 ASP A2071 -7.425 2.787 -0.061 1.00 0.00 O ATOM 687 OD2 ASP A2071 -6.715 1.463 -1.636 1.00 0.00 O ATOM 0 H ASP A2071 -2.830 2.627 0.777 1.00 0.00 H new ATOM 0 HA ASP A2071 -5.295 3.832 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -4.625 3.259 -0.879 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.470 1.563 -0.462 1.00 0.00 H new ATOM 692 N PRO A2072 -6.596 2.324 2.882 1.00 0.00 N ATOM 693 CA PRO A2072 -7.401 1.484 3.774 1.00 0.00 C ATOM 694 C PRO A2072 -8.120 0.355 3.024 1.00 0.00 C ATOM 695 O PRO A2072 -8.465 -0.678 3.614 1.00 0.00 O ATOM 696 CB PRO A2072 -8.417 2.455 4.368 1.00 0.00 C ATOM 697 CG PRO A2072 -7.793 3.792 4.228 1.00 0.00 C ATOM 698 CD PRO A2072 -7.011 3.740 2.958 1.00 0.00 C ATOM 0 HA PRO A2072 -6.784 0.985 4.521 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -9.368 2.405 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -8.622 2.222 5.413 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -8.550 4.576 4.190 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -7.147 4.014 5.077 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -7.616 4.030 2.099 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -6.153 4.411 2.985 1.00 0.00 H new ATOM 706 N ARG A2073 -8.319 0.541 1.725 1.00 0.00 N ATOM 707 CA ARG A2073 -8.953 -0.470 0.887 1.00 0.00 C ATOM 708 C ARG A2073 -8.000 -1.636 0.676 1.00 0.00 C ATOM 709 O ARG A2073 -8.415 -2.788 0.612 1.00 0.00 O ATOM 710 CB ARG A2073 -9.339 0.121 -0.448 1.00 0.00 C ATOM 711 CG ARG A2073 -10.372 1.231 -0.381 1.00 0.00 C ATOM 712 CD ARG A2073 -10.407 2.005 -1.688 1.00 0.00 C ATOM 713 NE ARG A2073 -10.673 1.145 -2.849 1.00 0.00 N ATOM 714 CZ ARG A2073 -9.777 0.850 -3.802 1.00 0.00 C ATOM 715 NH1 ARG A2073 -8.490 1.160 -3.643 1.00 0.00 N ATOM 716 NH2 ARG A2073 -10.157 0.169 -4.862 1.00 0.00 N ATOM 0 H ARG A2073 -8.048 1.388 1.226 1.00 0.00 H new ATOM 0 HA ARG A2073 -9.854 -0.825 1.388 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -8.442 0.508 -0.931 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -9.724 -0.676 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -11.356 0.809 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -10.136 1.906 0.442 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -11.175 2.776 -1.628 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -9.454 2.515 -1.829 1.00 0.00 H new ATOM 0 HE ARG A2073 -11.607 0.743 -2.936 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -8.179 1.626 -2.790 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -7.816 0.931 -4.374 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -11.128 -0.131 -4.955 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -9.481 -0.059 -5.591 1.00 0.00 H new ATOM 730 N PHE A2074 -6.712 -1.333 0.614 1.00 0.00 N ATOM 731 CA PHE A2074 -5.694 -2.360 0.476 1.00 0.00 C ATOM 732 C PHE A2074 -5.586 -3.119 1.782 1.00 0.00 C ATOM 733 O PHE A2074 -5.338 -4.330 1.809 1.00 0.00 O ATOM 734 CB PHE A2074 -4.346 -1.741 0.096 1.00 0.00 C ATOM 735 CG PHE A2074 -3.235 -2.740 -0.101 1.00 0.00 C ATOM 736 CD1 PHE A2074 -3.191 -3.529 -1.243 1.00 0.00 C ATOM 737 CD2 PHE A2074 -2.241 -2.897 0.855 1.00 0.00 C ATOM 738 CE1 PHE A2074 -2.178 -4.450 -1.427 1.00 0.00 C ATOM 739 CE2 PHE A2074 -1.228 -3.816 0.676 1.00 0.00 C ATOM 740 CZ PHE A2074 -1.194 -4.594 -0.466 1.00 0.00 C ATOM 0 H PHE A2074 -6.348 -0.381 0.657 1.00 0.00 H new ATOM 0 HA PHE A2074 -5.976 -3.047 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.469 -1.168 -0.823 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -4.051 -1.037 0.874 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -3.958 -3.421 -1.996 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -2.261 -2.292 1.750 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -2.155 -5.057 -2.320 1.00 0.00 H new ATOM 0 HE2 PHE A2074 -0.461 -3.928 1.428 1.00 0.00 H new ATOM 0 HZ PHE A2074 -0.401 -5.313 -0.608 1.00 0.00 H new ATOM 750 N LEU A2075 -5.809 -2.408 2.866 1.00 0.00 N ATOM 751 CA LEU A2075 -5.833 -3.019 4.174 1.00 0.00 C ATOM 752 C LEU A2075 -7.077 -3.913 4.276 1.00 0.00 C ATOM 753 O LEU A2075 -7.046 -4.976 4.879 1.00 0.00 O ATOM 754 CB LEU A2075 -5.821 -1.947 5.275 1.00 0.00 C ATOM 755 CG LEU A2075 -4.636 -0.966 5.257 1.00 0.00 C ATOM 756 CD1 LEU A2075 -4.747 0.022 6.405 1.00 0.00 C ATOM 757 CD2 LEU A2075 -3.303 -1.704 5.319 1.00 0.00 C ATOM 0 H LEU A2075 -5.977 -1.402 2.865 1.00 0.00 H new ATOM 0 HA LEU A2075 -4.941 -3.630 4.314 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -6.743 -1.371 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -5.835 -2.449 6.242 1.00 0.00 H new ATOM 0 HG LEU A2075 -4.672 -0.417 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -3.901 0.709 6.377 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -5.675 0.586 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -4.745 -0.518 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -2.486 -0.982 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -3.254 -2.289 6.237 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -3.215 -2.369 4.460 1.00 0.00 H new ATOM 769 N ALA A2076 -8.152 -3.491 3.613 1.00 0.00 N ATOM 770 CA ALA A2076 -9.379 -4.274 3.534 1.00 0.00 C ATOM 771 C ALA A2076 -9.153 -5.510 2.665 1.00 0.00 C ATOM 772 O ALA A2076 -9.737 -6.551 2.891 1.00 0.00 O ATOM 773 CB ALA A2076 -10.530 -3.432 2.994 1.00 0.00 C ATOM 0 H ALA A2076 -8.195 -2.600 3.118 1.00 0.00 H new ATOM 0 HA ALA A2076 -9.651 -4.598 4.539 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -11.434 -4.040 2.945 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -10.700 -2.582 3.654 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -10.280 -3.072 1.996 1.00 0.00 H new ATOM 779 N TYR A2077 -8.287 -5.380 1.669 1.00 0.00 N ATOM 780 CA TYR A2077 -7.882 -6.501 0.845 1.00 0.00 C ATOM 781 C TYR A2077 -7.089 -7.513 1.687 1.00 0.00 C ATOM 782 O TYR A2077 -7.161 -8.727 1.468 1.00 0.00 O ATOM 783 CB TYR A2077 -7.074 -6.024 -0.375 1.00 0.00 C ATOM 784 CG TYR A2077 -6.532 -7.157 -1.207 1.00 0.00 C ATOM 785 CD1 TYR A2077 -7.388 -8.054 -1.828 1.00 0.00 C ATOM 786 CD2 TYR A2077 -5.168 -7.357 -1.327 1.00 0.00 C ATOM 787 CE1 TYR A2077 -6.899 -9.118 -2.552 1.00 0.00 C ATOM 788 CE2 TYR A2077 -4.667 -8.420 -2.040 1.00 0.00 C ATOM 789 CZ TYR A2077 -5.535 -9.300 -2.654 1.00 0.00 C ATOM 790 OH TYR A2077 -5.029 -10.387 -3.344 1.00 0.00 O ATOM 0 H TYR A2077 -7.849 -4.495 1.413 1.00 0.00 H new ATOM 0 HA TYR A2077 -8.774 -6.999 0.466 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -7.708 -5.394 -0.999 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -6.245 -5.403 -0.034 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -8.456 -7.916 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -4.486 -6.667 -0.853 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -7.578 -9.805 -3.036 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -3.600 -8.566 -2.119 1.00 0.00 H new ATOM 0 HH TYR A2077 -4.050 -10.363 -3.320 1.00 0.00 H new ATOM 800 N MET A2078 -6.351 -7.016 2.655 1.00 0.00 N ATOM 801 CA MET A2078 -5.635 -7.883 3.577 1.00 0.00 C ATOM 802 C MET A2078 -6.644 -8.616 4.464 1.00 0.00 C ATOM 803 O MET A2078 -6.480 -9.793 4.777 1.00 0.00 O ATOM 804 CB MET A2078 -4.650 -7.083 4.432 1.00 0.00 C ATOM 805 CG MET A2078 -3.764 -7.955 5.304 1.00 0.00 C ATOM 806 SD MET A2078 -2.754 -9.094 4.327 1.00 0.00 S ATOM 807 CE MET A2078 -1.737 -7.947 3.393 1.00 0.00 C ATOM 0 H MET A2078 -6.228 -6.018 2.828 1.00 0.00 H new ATOM 0 HA MET A2078 -5.058 -8.610 3.005 1.00 0.00 H new ATOM 0 HB2 MET A2078 -4.022 -6.477 3.779 1.00 0.00 H new ATOM 0 HB3 MET A2078 -5.207 -6.394 5.067 1.00 0.00 H new ATOM 0 HG2 MET A2078 -3.114 -7.321 5.907 1.00 0.00 H new ATOM 0 HG3 MET A2078 -4.385 -8.524 5.996 1.00 0.00 H new ATOM 0 HE1 MET A2078 -0.711 -8.313 3.362 1.00 0.00 H new ATOM 0 HE2 MET A2078 -2.123 -7.863 2.377 1.00 0.00 H new ATOM 0 HE3 MET A2078 -1.759 -6.968 3.872 1.00 0.00 H new