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= -3.94! C(o=-3.9!,f=-8.2!) USER MOD Single : A2041 LYS NZ :NH3+ -160:sc= 0.948 (180deg=0.193) USER MOD Single : A2045 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A2060 MET CE :methyl 168:sc= -0.0359 (180deg=-0.248) USER MOD Single : A2063 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.5!) USER MOD Single : A2065 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2077 TYR OH : rot 180:sc= 0 USER MOD Single : A2078 MET CE :methyl 161:sc= -0.142 (180deg=-0.594) USER MOD ----------------------------------------------------------------- ATOM 60 N LEU A2032 7.627 -6.786 -3.178 1.00 0.00 N ATOM 61 CA LEU A2032 8.042 -5.388 -3.320 1.00 0.00 C ATOM 62 C LEU A2032 7.741 -4.798 -4.711 1.00 0.00 C ATOM 63 O LEU A2032 7.976 -3.602 -4.961 1.00 0.00 O ATOM 64 CB LEU A2032 9.494 -5.155 -2.883 1.00 0.00 C ATOM 65 CG LEU A2032 9.823 -5.515 -1.429 1.00 0.00 C ATOM 66 CD1 LEU A2032 11.260 -5.185 -1.115 1.00 0.00 C ATOM 67 CD2 LEU A2032 8.893 -4.804 -0.460 1.00 0.00 C ATOM 0 HA LEU A2032 7.417 -4.828 -2.624 1.00 0.00 H new ATOM 0 HB2 LEU A2032 10.147 -5.734 -3.537 1.00 0.00 H new ATOM 0 HB3 LEU A2032 9.736 -4.104 -3.040 1.00 0.00 H new ATOM 0 HG LEU A2032 9.675 -6.588 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A2032 11.476 -5.447 -0.079 1.00 0.00 H new ATOM 0 HD12 LEU A2032 11.916 -5.751 -1.776 1.00 0.00 H new ATOM 0 HD13 LEU A2032 11.429 -4.118 -1.262 1.00 0.00 H new ATOM 0 HD21 LEU A2032 9.152 -5.080 0.562 1.00 0.00 H new ATOM 0 HD22 LEU A2032 8.996 -3.726 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A2032 7.863 -5.095 -0.664 1.00 0.00 H new ATOM 79 N GLU A2033 7.146 -5.607 -5.575 1.00 0.00 N ATOM 80 CA GLU A2033 6.819 -5.195 -6.932 1.00 0.00 C ATOM 81 C GLU A2033 5.375 -4.713 -7.064 1.00 0.00 C ATOM 82 O GLU A2033 5.021 -4.067 -8.066 1.00 0.00 O ATOM 83 CB GLU A2033 7.080 -6.332 -7.915 1.00 0.00 C ATOM 84 CG GLU A2033 8.551 -6.633 -8.141 1.00 0.00 C ATOM 85 CD GLU A2033 9.273 -5.463 -8.762 1.00 0.00 C ATOM 86 OE1 GLU A2033 8.925 -5.079 -9.890 1.00 0.00 O ATOM 87 OE2 GLU A2033 10.208 -4.919 -8.151 1.00 0.00 O ATOM 0 H GLU A2033 6.877 -6.566 -5.356 1.00 0.00 H new ATOM 0 HA GLU A2033 7.468 -4.352 -7.170 1.00 0.00 H new ATOM 0 HB2 GLU A2033 6.588 -7.233 -7.550 1.00 0.00 H new ATOM 0 HB3 GLU A2033 6.620 -6.083 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU A2033 9.020 -6.887 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A2033 8.648 -7.505 -8.788 1.00 0.00 H new ATOM 94 N THR A2034 4.546 -5.040 -6.088 1.00 0.00 N ATOM 95 CA THR A2034 3.166 -4.598 -6.067 1.00 0.00 C ATOM 96 C THR A2034 3.088 -3.082 -5.947 1.00 0.00 C ATOM 97 O THR A2034 3.864 -2.461 -5.192 1.00 0.00 O ATOM 98 CB THR A2034 2.418 -5.242 -4.887 1.00 0.00 C ATOM 99 OG1 THR A2034 2.578 -6.654 -4.960 1.00 0.00 O ATOM 100 CG2 THR A2034 0.927 -4.913 -4.902 1.00 0.00 C ATOM 0 H THR A2034 4.811 -5.618 -5.291 1.00 0.00 H new ATOM 0 HA THR A2034 2.699 -4.904 -7.003 1.00 0.00 H new ATOM 0 HB THR A2034 2.839 -4.843 -3.964 1.00 0.00 H new ATOM 0 HG1 THR A2034 2.107 -7.076 -4.211 1.00 0.00 H new ATOM 0 HG21 THR A2034 0.441 -5.389 -4.051 1.00 0.00 H new ATOM 0 HG22 THR A2034 0.792 -3.833 -4.840 1.00 0.00 H new ATOM 0 HG23 THR A2034 0.482 -5.282 -5.826 1.00 0.00 H new ATOM 108 N ARG A2035 2.200 -2.500 -6.715 1.00 0.00 N ATOM 109 CA ARG A2035 1.950 -1.088 -6.660 1.00 0.00 C ATOM 110 C ARG A2035 0.996 -0.863 -5.499 1.00 0.00 C ATOM 111 O ARG A2035 -0.095 -1.441 -5.470 1.00 0.00 O ATOM 112 CB ARG A2035 1.304 -0.621 -7.964 1.00 0.00 C ATOM 113 CG ARG A2035 2.024 -1.073 -9.239 1.00 0.00 C ATOM 114 CD ARG A2035 3.472 -0.602 -9.310 1.00 0.00 C ATOM 115 NE ARG A2035 3.611 0.860 -9.381 1.00 0.00 N ATOM 116 CZ ARG A2035 4.729 1.492 -9.768 1.00 0.00 C ATOM 117 NH1 ARG A2035 5.785 0.792 -10.177 1.00 0.00 N ATOM 118 NH2 ARG A2035 4.781 2.821 -9.761 1.00 0.00 N ATOM 0 H ARG A2035 1.630 -2.999 -7.398 1.00 0.00 H new ATOM 0 HA ARG A2035 2.875 -0.528 -6.525 1.00 0.00 H new ATOM 0 HB2 ARG A2035 0.277 -0.986 -7.995 1.00 0.00 H new ATOM 0 HB3 ARG A2035 1.255 0.468 -7.959 1.00 0.00 H new ATOM 0 HG2 ARG A2035 1.999 -2.161 -9.296 1.00 0.00 H new ATOM 0 HG3 ARG A2035 1.483 -0.696 -10.107 1.00 0.00 H new ATOM 0 HD2 ARG A2035 4.008 -0.968 -8.434 1.00 0.00 H new ATOM 0 HD3 ARG A2035 3.948 -1.047 -10.184 1.00 0.00 H new ATOM 0 HE ARG A2035 2.806 1.430 -9.119 1.00 0.00 H new ATOM 0 HH11 ARG A2035 5.745 -0.227 -10.197 1.00 0.00 H new ATOM 0 HH12 ARG A2035 6.634 1.275 -10.471 1.00 0.00 H new ATOM 0 HH21 ARG A2035 3.970 3.362 -9.461 1.00 0.00 H new ATOM 0 HH22 ARG A2035 5.632 3.300 -10.056 1.00 0.00 H new ATOM 132 N ILE A2036 1.396 -0.072 -4.552 1.00 0.00 N ATOM 133 CA ILE A2036 0.613 0.120 -3.349 1.00 0.00 C ATOM 134 C ILE A2036 -0.299 1.316 -3.460 1.00 0.00 C ATOM 135 O ILE A2036 0.173 2.435 -3.659 1.00 0.00 O ATOM 136 CB ILE A2036 1.520 0.251 -2.096 1.00 0.00 C ATOM 137 CG1 ILE A2036 2.323 -1.032 -1.891 1.00 0.00 C ATOM 138 CG2 ILE A2036 0.720 0.592 -0.836 1.00 0.00 C ATOM 139 CD1 ILE A2036 1.479 -2.283 -1.709 1.00 0.00 C ATOM 0 H ILE A2036 2.266 0.460 -4.580 1.00 0.00 H new ATOM 0 HA ILE A2036 -0.008 -0.769 -3.233 1.00 0.00 H new ATOM 0 HB ILE A2036 2.206 1.079 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A2036 2.981 -1.175 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A2036 2.962 -0.910 -1.016 1.00 0.00 H new ATOM 0 HG21 ILE A2036 1.397 0.673 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A2036 0.202 1.540 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A2036 -0.010 -0.195 -0.644 1.00 0.00 H new ATOM 0 HD11 ILE A2036 2.131 -3.145 -1.570 1.00 0.00 H new ATOM 0 HD12 ILE A2036 0.840 -2.167 -0.834 1.00 0.00 H new ATOM 0 HD13 ILE A2036 0.859 -2.436 -2.593 1.00 0.00 H new ATOM 151 N PRO A2037 -1.626 1.092 -3.346 1.00 0.00 N ATOM 152 CA PRO A2037 -2.600 2.162 -3.370 1.00 0.00 C ATOM 153 C PRO A2037 -2.340 3.145 -2.243 1.00 0.00 C ATOM 154 O PRO A2037 -2.350 2.777 -1.050 1.00 0.00 O ATOM 155 CB PRO A2037 -3.954 1.482 -3.153 1.00 0.00 C ATOM 156 CG PRO A2037 -3.725 0.023 -3.280 1.00 0.00 C ATOM 157 CD PRO A2037 -2.250 -0.230 -3.176 1.00 0.00 C ATOM 0 HA PRO A2037 -2.558 2.719 -4.306 1.00 0.00 H new ATOM 0 HB2 PRO A2037 -4.356 1.726 -2.170 1.00 0.00 H new ATOM 0 HB3 PRO A2037 -4.681 1.825 -3.889 1.00 0.00 H new ATOM 0 HG2 PRO A2037 -4.259 -0.515 -2.497 1.00 0.00 H new ATOM 0 HG3 PRO A2037 -4.107 -0.340 -4.234 1.00 0.00 H new ATOM 0 HD2 PRO A2037 -1.991 -0.668 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO A2037 -1.914 -0.927 -3.943 1.00 0.00 H new ATOM 165 N VAL A2038 -2.064 4.356 -2.603 1.00 0.00 N ATOM 166 CA VAL A2038 -1.800 5.380 -1.637 1.00 0.00 C ATOM 167 C VAL A2038 -2.883 6.418 -1.661 1.00 0.00 C ATOM 168 O VAL A2038 -3.410 6.750 -2.721 1.00 0.00 O ATOM 169 CB VAL A2038 -0.406 6.030 -1.796 1.00 0.00 C ATOM 170 CG1 VAL A2038 0.680 5.041 -1.438 1.00 0.00 C ATOM 171 CG2 VAL A2038 -0.196 6.549 -3.208 1.00 0.00 C ATOM 0 H VAL A2038 -2.014 4.666 -3.573 1.00 0.00 H new ATOM 0 HA VAL A2038 -1.794 4.892 -0.662 1.00 0.00 H new ATOM 0 HB VAL A2038 -0.354 6.878 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A2038 1.655 5.513 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A2038 0.554 4.720 -0.404 1.00 0.00 H new ATOM 0 HG13 VAL A2038 0.615 4.175 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A2038 0.793 7.000 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A2038 -0.275 5.723 -3.915 1.00 0.00 H new ATOM 0 HG23 VAL A2038 -0.955 7.297 -3.437 1.00 0.00 H new ATOM 181 N ILE A2039 -3.213 6.907 -0.505 1.00 0.00 N ATOM 182 CA ILE A2039 -4.277 7.840 -0.322 1.00 0.00 C ATOM 183 C ILE A2039 -3.712 9.180 0.194 1.00 0.00 C ATOM 184 O ILE A2039 -2.736 9.201 0.945 1.00 0.00 O ATOM 185 CB ILE A2039 -5.332 7.257 0.671 1.00 0.00 C ATOM 186 CG1 ILE A2039 -6.587 8.125 0.712 1.00 0.00 C ATOM 187 CG2 ILE A2039 -4.739 7.097 2.075 1.00 0.00 C ATOM 188 CD1 ILE A2039 -7.704 7.557 1.561 1.00 0.00 C ATOM 0 H ILE A2039 -2.734 6.659 0.361 1.00 0.00 H new ATOM 0 HA ILE A2039 -4.772 8.020 -1.277 1.00 0.00 H new ATOM 0 HB ILE A2039 -5.616 6.269 0.309 1.00 0.00 H new ATOM 0 HG12 ILE A2039 -6.321 9.111 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A2039 -6.953 8.264 -0.305 1.00 0.00 H new ATOM 0 HG21 ILE A2039 -5.496 6.689 2.745 1.00 0.00 H new ATOM 0 HG22 ILE A2039 -3.887 6.419 2.035 1.00 0.00 H new ATOM 0 HG23 ILE A2039 -4.412 8.069 2.445 1.00 0.00 H new ATOM 0 HD11 ILE A2039 -8.559 8.233 1.537 1.00 0.00 H new ATOM 0 HD12 ILE A2039 -8.000 6.584 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A2039 -7.359 7.444 2.589 1.00 0.00 H new ATOM 200 N ASN A2040 -4.287 10.278 -0.262 1.00 0.00 N ATOM 201 CA ASN A2040 -3.873 11.623 0.173 1.00 0.00 C ATOM 202 C ASN A2040 -4.180 11.790 1.649 1.00 0.00 C ATOM 203 O ASN A2040 -5.267 11.396 2.078 1.00 0.00 O ATOM 204 CB ASN A2040 -4.715 12.708 -0.537 1.00 0.00 C ATOM 205 CG ASN A2040 -4.112 14.086 -0.552 1.00 0.00 C ATOM 206 OD1 ASN A2040 -4.839 15.041 -0.576 1.00 0.00 O ATOM 207 ND2 ASN A2040 -2.810 14.199 -0.547 1.00 0.00 N ATOM 0 H ASN A2040 -5.049 10.276 -0.940 1.00 0.00 H new ATOM 0 HA ASN A2040 -2.812 11.728 -0.053 1.00 0.00 H new ATOM 0 HB2 ASN A2040 -4.887 12.394 -1.567 1.00 0.00 H new ATOM 0 HB3 ASN A2040 -5.690 12.762 -0.053 1.00 0.00 H new ATOM 0 HD21 ASN A2040 -2.378 15.123 -0.564 1.00 0.00 H new ATOM 0 HD22 ASN A2040 -2.226 13.363 -0.526 1.00 0.00 H new ATOM 214 N LYS A2041 -3.259 12.363 2.423 1.00 0.00 N ATOM 215 CA LYS A2041 -3.585 12.733 3.809 1.00 0.00 C ATOM 216 C LYS A2041 -4.666 13.801 3.797 1.00 0.00 C ATOM 217 O LYS A2041 -5.538 13.814 4.649 1.00 0.00 O ATOM 218 CB LYS A2041 -2.391 13.297 4.616 1.00 0.00 C ATOM 219 CG LYS A2041 -1.407 12.313 5.259 1.00 0.00 C ATOM 220 CD LYS A2041 -0.556 11.586 4.265 1.00 0.00 C ATOM 221 CE LYS A2041 0.648 10.927 4.935 1.00 0.00 C ATOM 222 NZ LYS A2041 1.539 11.919 5.617 1.00 0.00 N ATOM 0 H LYS A2041 -2.306 12.578 2.130 1.00 0.00 H new ATOM 0 HA LYS A2041 -3.904 11.810 4.294 1.00 0.00 H new ATOM 0 HB2 LYS A2041 -1.822 13.948 3.953 1.00 0.00 H new ATOM 0 HB3 LYS A2041 -2.796 13.926 5.409 1.00 0.00 H new ATOM 0 HG2 LYS A2041 -0.762 12.856 5.950 1.00 0.00 H new ATOM 0 HG3 LYS A2041 -1.965 11.586 5.848 1.00 0.00 H new ATOM 0 HD2 LYS A2041 -1.153 10.827 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A2041 -0.212 12.283 3.500 1.00 0.00 H new ATOM 0 HE2 LYS A2041 0.299 10.196 5.664 1.00 0.00 H new ATOM 0 HE3 LYS A2041 1.223 10.382 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A2041 2.481 11.501 5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A2041 1.622 12.773 5.029 1.00 0.00 H new ATOM 0 HZ3 LYS A2041 1.133 12.173 6.540 1.00 0.00 H new ATOM 236 N VAL A2042 -4.597 14.697 2.803 1.00 0.00 N ATOM 237 CA VAL A2042 -5.537 15.797 2.716 1.00 0.00 C ATOM 238 C VAL A2042 -6.920 15.288 2.382 1.00 0.00 C ATOM 239 O VAL A2042 -7.838 15.455 3.205 1.00 0.00 O ATOM 240 CB VAL A2042 -5.115 16.856 1.676 1.00 0.00 C ATOM 241 CG1 VAL A2042 -6.008 18.091 1.731 1.00 0.00 C ATOM 242 CG2 VAL A2042 -3.665 17.218 1.844 1.00 0.00 C ATOM 0 H VAL A2042 -3.901 14.673 2.058 1.00 0.00 H new ATOM 0 HA VAL A2042 -5.545 16.277 3.695 1.00 0.00 H new ATOM 0 HB VAL A2042 -5.242 16.417 0.686 1.00 0.00 H new ATOM 0 HG11 VAL A2042 -5.678 18.812 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A2042 -7.039 17.804 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A2042 -5.946 18.541 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A2042 -3.388 17.966 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A2042 -3.504 17.623 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A2042 -3.050 16.328 1.710 1.00 0.00 H new ATOM 252 N ASP A2043 -7.106 14.618 1.218 1.00 0.00 N ATOM 253 CA ASP A2043 -8.433 14.112 0.942 1.00 0.00 C ATOM 254 C ASP A2043 -8.564 13.035 -0.111 1.00 0.00 C ATOM 255 O ASP A2043 -8.988 13.301 -1.235 1.00 0.00 O ATOM 256 CB ASP A2043 -9.405 15.181 0.606 1.00 0.00 C ATOM 257 CG ASP A2043 -10.829 14.679 0.823 1.00 0.00 C ATOM 258 OD1 ASP A2043 -11.126 14.188 1.955 1.00 0.00 O ATOM 259 OD2 ASP A2043 -11.655 14.694 -0.108 1.00 0.00 O ATOM 0 H ASP A2043 -6.395 14.434 0.511 1.00 0.00 H new ATOM 0 HA ASP A2043 -8.662 13.644 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A2043 -9.222 16.059 1.226 1.00 0.00 H new ATOM 0 HB3 ASP A2043 -9.274 15.490 -0.431 1.00 0.00 H new ATOM 264 N GLY A2044 -8.047 11.894 0.179 1.00 0.00 N ATOM 265 CA GLY A2044 -8.527 10.698 -0.455 1.00 0.00 C ATOM 266 C GLY A2044 -8.154 10.539 -1.873 1.00 0.00 C ATOM 267 O GLY A2044 -8.887 9.924 -2.653 1.00 0.00 O ATOM 0 H GLY A2044 -7.291 11.754 0.850 1.00 0.00 H new ATOM 0 HA2 GLY A2044 -8.153 9.838 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A2044 -9.614 10.678 -0.379 1.00 0.00 H new ATOM 271 N THR A2045 -7.076 11.121 -2.233 1.00 0.00 N ATOM 272 CA THR A2045 -6.557 10.939 -3.519 1.00 0.00 C ATOM 273 C THR A2045 -5.935 9.545 -3.563 1.00 0.00 C ATOM 274 O THR A2045 -4.894 9.328 -2.957 1.00 0.00 O ATOM 275 CB THR A2045 -5.493 11.989 -3.825 1.00 0.00 C ATOM 276 OG1 THR A2045 -5.996 13.293 -3.481 1.00 0.00 O ATOM 277 CG2 THR A2045 -5.151 11.962 -5.284 1.00 0.00 C ATOM 0 H THR A2045 -6.529 11.741 -1.635 1.00 0.00 H new ATOM 0 HA THR A2045 -7.347 11.041 -4.263 1.00 0.00 H new ATOM 0 HB THR A2045 -4.599 11.771 -3.242 1.00 0.00 H new ATOM 0 HG1 THR A2045 -5.313 13.969 -3.675 1.00 0.00 H new ATOM 0 HG21 THR A2045 -4.391 12.715 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A2045 -4.769 10.976 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A2045 -6.044 12.175 -5.871 1.00 0.00 H new ATOM 285 N LEU A2046 -6.604 8.612 -4.188 1.00 0.00 N ATOM 286 CA LEU A2046 -6.116 7.266 -4.223 1.00 0.00 C ATOM 287 C LEU A2046 -5.385 7.011 -5.513 1.00 0.00 C ATOM 288 O LEU A2046 -5.954 7.135 -6.606 1.00 0.00 O ATOM 289 CB LEU A2046 -7.246 6.253 -4.067 1.00 0.00 C ATOM 290 CG LEU A2046 -6.804 4.793 -4.002 1.00 0.00 C ATOM 291 CD1 LEU A2046 -6.033 4.515 -2.726 1.00 0.00 C ATOM 292 CD2 LEU A2046 -7.985 3.868 -4.131 1.00 0.00 C ATOM 0 H LEU A2046 -7.486 8.763 -4.678 1.00 0.00 H new ATOM 0 HA LEU A2046 -5.432 7.144 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A2046 -7.801 6.489 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A2046 -7.936 6.370 -4.903 1.00 0.00 H new ATOM 0 HG LEU A2046 -6.137 4.606 -4.843 1.00 0.00 H new ATOM 0 HD11 LEU A2046 -5.730 3.468 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A2046 -5.148 5.150 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A2046 -6.666 4.727 -1.865 1.00 0.00 H new ATOM 0 HD21 LEU A2046 -7.644 2.834 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A2046 -8.686 4.058 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A2046 -8.481 4.042 -5.086 1.00 0.00 H new ATOM 304 N LEU A2047 -4.154 6.677 -5.394 1.00 0.00 N ATOM 305 CA LEU A2047 -3.339 6.363 -6.528 1.00 0.00 C ATOM 306 C LEU A2047 -3.207 4.868 -6.605 1.00 0.00 C ATOM 307 O LEU A2047 -2.898 4.234 -5.601 1.00 0.00 O ATOM 308 CB LEU A2047 -1.952 6.997 -6.398 1.00 0.00 C ATOM 309 CG LEU A2047 -1.900 8.512 -6.162 1.00 0.00 C ATOM 310 CD1 LEU A2047 -0.461 8.986 -6.089 1.00 0.00 C ATOM 311 CD2 LEU A2047 -2.653 9.264 -7.246 1.00 0.00 C ATOM 0 H LEU A2047 -3.669 6.610 -4.499 1.00 0.00 H new ATOM 0 HA LEU A2047 -3.803 6.758 -7.431 1.00 0.00 H new ATOM 0 HB2 LEU A2047 -1.431 6.508 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A2047 -1.392 6.776 -7.306 1.00 0.00 H new ATOM 0 HG LEU A2047 -2.387 8.721 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A2047 -0.441 10.063 -5.921 1.00 0.00 H new ATOM 0 HD12 LEU A2047 0.047 8.481 -5.267 1.00 0.00 H new ATOM 0 HD13 LEU A2047 0.046 8.755 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A2047 -2.598 10.335 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A2047 -2.206 9.048 -8.216 1.00 0.00 H new ATOM 0 HD23 LEU A2047 -3.696 8.949 -7.250 1.00 0.00 H new ATOM 323 N VAL A2048 -3.476 4.311 -7.761 1.00 0.00 N ATOM 324 CA VAL A2048 -3.333 2.877 -7.990 1.00 0.00 C ATOM 325 C VAL A2048 -2.539 2.677 -9.259 1.00 0.00 C ATOM 326 O VAL A2048 -2.275 3.649 -9.977 1.00 0.00 O ATOM 327 CB VAL A2048 -4.699 2.120 -8.099 1.00 0.00 C ATOM 328 CG1 VAL A2048 -5.492 2.207 -6.807 1.00 0.00 C ATOM 329 CG2 VAL A2048 -5.526 2.622 -9.274 1.00 0.00 C ATOM 0 H VAL A2048 -3.801 4.832 -8.576 1.00 0.00 H new ATOM 0 HA VAL A2048 -2.822 2.455 -7.125 1.00 0.00 H new ATOM 0 HB VAL A2048 -4.466 1.070 -8.278 1.00 0.00 H new ATOM 0 HG11 VAL A2048 -6.434 1.670 -6.921 1.00 0.00 H new ATOM 0 HG12 VAL A2048 -4.916 1.761 -5.996 1.00 0.00 H new ATOM 0 HG13 VAL A2048 -5.696 3.252 -6.575 1.00 0.00 H new ATOM 0 HG21 VAL A2048 -6.467 2.073 -9.318 1.00 0.00 H new ATOM 0 HG22 VAL A2048 -5.731 3.685 -9.147 1.00 0.00 H new ATOM 0 HG23 VAL A2048 -4.973 2.468 -10.200 1.00 0.00 H new ATOM 339 N GLY A2049 -2.122 1.469 -9.513 1.00 0.00 N ATOM 340 CA GLY A2049 -1.398 1.184 -10.723 1.00 0.00 C ATOM 341 C GLY A2049 -0.035 1.826 -10.723 1.00 0.00 C ATOM 342 O GLY A2049 0.649 1.819 -9.707 1.00 0.00 O ATOM 0 H GLY A2049 -2.270 0.666 -8.901 1.00 0.00 H new ATOM 0 HA2 GLY A2049 -1.292 0.105 -10.838 1.00 0.00 H new ATOM 0 HA3 GLY A2049 -1.968 1.541 -11.581 1.00 0.00 H new ATOM 346 N GLU A2050 0.333 2.451 -11.816 1.00 0.00 N ATOM 347 CA GLU A2050 1.647 3.060 -11.908 1.00 0.00 C ATOM 348 C GLU A2050 1.655 4.427 -11.255 1.00 0.00 C ATOM 349 O GLU A2050 2.711 5.004 -10.998 1.00 0.00 O ATOM 350 CB GLU A2050 2.147 3.124 -13.345 1.00 0.00 C ATOM 351 CG GLU A2050 2.185 1.780 -14.053 1.00 0.00 C ATOM 352 CD GLU A2050 2.997 0.746 -13.309 1.00 0.00 C ATOM 353 OE1 GLU A2050 4.235 0.807 -13.352 1.00 0.00 O ATOM 354 OE2 GLU A2050 2.401 -0.163 -12.703 1.00 0.00 O ATOM 0 H GLU A2050 -0.248 2.553 -12.648 1.00 0.00 H new ATOM 0 HA GLU A2050 2.342 2.422 -11.362 1.00 0.00 H new ATOM 0 HB2 GLU A2050 1.507 3.802 -13.910 1.00 0.00 H new ATOM 0 HB3 GLU A2050 3.149 3.553 -13.350 1.00 0.00 H new ATOM 0 HG2 GLU A2050 1.167 1.413 -14.179 1.00 0.00 H new ATOM 0 HG3 GLU A2050 2.602 1.913 -15.051 1.00 0.00 H new ATOM 361 N ASP A2051 0.468 4.925 -10.972 1.00 0.00 N ATOM 362 CA ASP A2051 0.295 6.172 -10.248 1.00 0.00 C ATOM 363 C ASP A2051 0.692 5.941 -8.818 1.00 0.00 C ATOM 364 O ASP A2051 1.211 6.826 -8.138 1.00 0.00 O ATOM 365 CB ASP A2051 -1.158 6.599 -10.280 1.00 0.00 C ATOM 366 CG ASP A2051 -1.645 6.990 -11.645 1.00 0.00 C ATOM 367 OD1 ASP A2051 -1.462 8.155 -12.051 1.00 0.00 O ATOM 368 OD2 ASP A2051 -2.243 6.143 -12.343 1.00 0.00 O ATOM 0 H ASP A2051 -0.408 4.476 -11.238 1.00 0.00 H new ATOM 0 HA ASP A2051 0.907 6.948 -10.708 1.00 0.00 H new ATOM 0 HB2 ASP A2051 -1.775 5.783 -9.904 1.00 0.00 H new ATOM 0 HB3 ASP A2051 -1.295 7.441 -9.601 1.00 0.00 H new ATOM 373 N ALA A2052 0.445 4.738 -8.376 1.00 0.00 N ATOM 374 CA ALA A2052 0.800 4.307 -7.067 1.00 0.00 C ATOM 375 C ALA A2052 2.230 3.837 -7.105 1.00 0.00 C ATOM 376 O ALA A2052 2.680 3.340 -8.135 1.00 0.00 O ATOM 377 CB ALA A2052 -0.108 3.180 -6.653 1.00 0.00 C ATOM 0 H ALA A2052 -0.019 4.021 -8.934 1.00 0.00 H new ATOM 0 HA ALA A2052 0.696 5.120 -6.348 1.00 0.00 H new ATOM 0 HB1 ALA A2052 0.160 2.846 -5.651 1.00 0.00 H new ATOM 0 HB2 ALA A2052 -1.142 3.526 -6.656 1.00 0.00 H new ATOM 0 HB3 ALA A2052 -0.001 2.351 -7.352 1.00 0.00 H new ATOM 383 N PRO A2053 2.979 4.003 -6.031 1.00 0.00 N ATOM 384 CA PRO A2053 4.366 3.605 -5.996 1.00 0.00 C ATOM 385 C PRO A2053 4.566 2.092 -5.829 1.00 0.00 C ATOM 386 O PRO A2053 3.708 1.367 -5.289 1.00 0.00 O ATOM 387 CB PRO A2053 4.916 4.352 -4.781 1.00 0.00 C ATOM 388 CG PRO A2053 3.752 4.446 -3.868 1.00 0.00 C ATOM 389 CD PRO A2053 2.550 4.610 -4.754 1.00 0.00 C ATOM 0 HA PRO A2053 4.868 3.841 -6.934 1.00 0.00 H new ATOM 0 HB2 PRO A2053 5.743 3.812 -4.320 1.00 0.00 H new ATOM 0 HB3 PRO A2053 5.291 5.338 -5.054 1.00 0.00 H new ATOM 0 HG2 PRO A2053 3.665 3.551 -3.252 1.00 0.00 H new ATOM 0 HG3 PRO A2053 3.855 5.292 -3.188 1.00 0.00 H new ATOM 0 HD2 PRO A2053 1.676 4.105 -4.343 1.00 0.00 H new ATOM 0 HD3 PRO A2053 2.283 5.659 -4.878 1.00 0.00 H new ATOM 397 N ARG A2054 5.686 1.643 -6.317 1.00 0.00 N ATOM 398 CA ARG A2054 6.156 0.294 -6.190 1.00 0.00 C ATOM 399 C ARG A2054 6.497 0.088 -4.718 1.00 0.00 C ATOM 400 O ARG A2054 7.062 0.991 -4.118 1.00 0.00 O ATOM 401 CB ARG A2054 7.424 0.229 -7.037 1.00 0.00 C ATOM 402 CG ARG A2054 8.200 -1.057 -7.012 1.00 0.00 C ATOM 403 CD ARG A2054 9.505 -0.860 -7.763 1.00 0.00 C ATOM 404 NE ARG A2054 10.339 -2.049 -7.812 1.00 0.00 N ATOM 405 CZ ARG A2054 11.682 -2.031 -7.842 1.00 0.00 C ATOM 406 NH1 ARG A2054 12.378 -0.952 -7.451 1.00 0.00 N ATOM 407 NH2 ARG A2054 12.322 -3.120 -8.160 1.00 0.00 N ATOM 0 H ARG A2054 6.328 2.238 -6.841 1.00 0.00 H new ATOM 0 HA ARG A2054 5.437 -0.461 -6.508 1.00 0.00 H new ATOM 0 HB2 ARG A2054 7.151 0.439 -8.071 1.00 0.00 H new ATOM 0 HB3 ARG A2054 8.088 1.031 -6.714 1.00 0.00 H new ATOM 0 HG2 ARG A2054 8.399 -1.357 -5.983 1.00 0.00 H new ATOM 0 HG3 ARG A2054 7.619 -1.857 -7.470 1.00 0.00 H new ATOM 0 HD2 ARG A2054 9.283 -0.541 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A2054 10.066 -0.053 -7.292 1.00 0.00 H new ATOM 0 HE ARG A2054 9.874 -2.957 -7.824 1.00 0.00 H new ATOM 0 HH11 ARG A2054 11.887 -0.121 -7.122 1.00 0.00 H new ATOM 0 HH12 ARG A2054 13.397 -0.963 -7.483 1.00 0.00 H new ATOM 0 HH21 ARG A2054 11.804 -3.970 -8.382 1.00 0.00 H new ATOM 0 HH22 ARG A2054 13.342 -3.123 -8.187 1.00 0.00 H new ATOM 421 N ARG A2055 6.152 -1.068 -4.128 1.00 0.00 N ATOM 422 CA ARG A2055 6.444 -1.316 -2.691 1.00 0.00 C ATOM 423 C ARG A2055 7.888 -1.029 -2.339 1.00 0.00 C ATOM 424 O ARG A2055 8.156 -0.440 -1.309 1.00 0.00 O ATOM 425 CB ARG A2055 6.136 -2.737 -2.256 1.00 0.00 C ATOM 426 CG ARG A2055 5.032 -2.879 -1.224 1.00 0.00 C ATOM 427 CD ARG A2055 5.266 -2.054 0.058 1.00 0.00 C ATOM 428 NE ARG A2055 6.501 -2.405 0.782 1.00 0.00 N ATOM 429 CZ ARG A2055 6.550 -2.989 2.001 1.00 0.00 C ATOM 430 NH1 ARG A2055 5.437 -3.432 2.584 1.00 0.00 N ATOM 431 NH2 ARG A2055 7.720 -3.143 2.611 1.00 0.00 N ATOM 0 H ARG A2055 5.680 -1.836 -4.605 1.00 0.00 H new ATOM 0 HA ARG A2055 5.786 -0.628 -2.160 1.00 0.00 H new ATOM 0 HB2 ARG A2055 5.863 -3.317 -3.137 1.00 0.00 H new ATOM 0 HB3 ARG A2055 7.046 -3.180 -1.852 1.00 0.00 H new ATOM 0 HG2 ARG A2055 4.087 -2.574 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A2055 4.933 -3.931 -0.955 1.00 0.00 H new ATOM 0 HD2 ARG A2055 5.299 -0.997 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A2055 4.415 -2.190 0.725 1.00 0.00 H new ATOM 0 HE ARG A2055 7.389 -2.191 0.328 1.00 0.00 H new ATOM 0 HH11 ARG A2055 4.539 -3.332 2.111 1.00 0.00 H new ATOM 0 HH12 ARG A2055 5.483 -3.871 3.503 1.00 0.00 H new ATOM 0 HH21 ARG A2055 8.576 -2.821 2.160 1.00 0.00 H new ATOM 0 HH22 ARG A2055 7.762 -3.583 3.530 1.00 0.00 H new ATOM 445 N ALA A2056 8.802 -1.443 -3.197 1.00 0.00 N ATOM 446 CA ALA A2056 10.227 -1.216 -2.984 1.00 0.00 C ATOM 447 C ALA A2056 10.537 0.273 -2.794 1.00 0.00 C ATOM 448 O ALA A2056 11.351 0.634 -1.968 1.00 0.00 O ATOM 449 CB ALA A2056 11.036 -1.780 -4.140 1.00 0.00 C ATOM 0 H ALA A2056 8.583 -1.944 -4.058 1.00 0.00 H new ATOM 0 HA ALA A2056 10.510 -1.736 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A2056 12.097 -1.601 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A2056 10.857 -2.852 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A2056 10.735 -1.292 -5.067 1.00 0.00 H new ATOM 455 N GLU A2057 9.818 1.126 -3.506 1.00 0.00 N ATOM 456 CA GLU A2057 10.060 2.565 -3.464 1.00 0.00 C ATOM 457 C GLU A2057 9.206 3.233 -2.391 1.00 0.00 C ATOM 458 O GLU A2057 9.587 4.257 -1.830 1.00 0.00 O ATOM 459 CB GLU A2057 9.726 3.190 -4.813 1.00 0.00 C ATOM 460 CG GLU A2057 10.404 2.520 -5.994 1.00 0.00 C ATOM 461 CD GLU A2057 11.881 2.384 -5.798 1.00 0.00 C ATOM 462 OE1 GLU A2057 12.569 3.414 -5.644 1.00 0.00 O ATOM 463 OE2 GLU A2057 12.378 1.251 -5.799 1.00 0.00 O ATOM 0 H GLU A2057 9.056 0.847 -4.125 1.00 0.00 H new ATOM 0 HA GLU A2057 11.113 2.718 -3.229 1.00 0.00 H new ATOM 0 HB2 GLU A2057 8.647 3.154 -4.960 1.00 0.00 H new ATOM 0 HB3 GLU A2057 10.011 4.242 -4.794 1.00 0.00 H new ATOM 0 HG2 GLU A2057 9.968 1.533 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A2057 10.211 3.099 -6.897 1.00 0.00 H new ATOM 470 N LEU A2058 8.077 2.601 -2.105 1.00 0.00 N ATOM 471 CA LEU A2058 7.037 3.069 -1.183 1.00 0.00 C ATOM 472 C LEU A2058 7.599 3.545 0.159 1.00 0.00 C ATOM 473 O LEU A2058 7.205 4.598 0.644 1.00 0.00 O ATOM 474 CB LEU A2058 5.964 1.926 -1.033 1.00 0.00 C ATOM 475 CG LEU A2058 4.743 2.085 -0.071 1.00 0.00 C ATOM 476 CD1 LEU A2058 5.119 1.904 1.393 1.00 0.00 C ATOM 477 CD2 LEU A2058 4.030 3.414 -0.288 1.00 0.00 C ATOM 0 H LEU A2058 7.844 1.702 -2.528 1.00 0.00 H new ATOM 0 HA LEU A2058 6.559 3.957 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A2058 5.563 1.733 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A2058 6.497 1.027 -0.725 1.00 0.00 H new ATOM 0 HG LEU A2058 4.051 1.281 -0.322 1.00 0.00 H new ATOM 0 HD11 LEU A2058 4.232 2.025 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A2058 5.532 0.906 1.542 1.00 0.00 H new ATOM 0 HD13 LEU A2058 5.863 2.650 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A2058 3.186 3.490 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A2058 4.724 4.234 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A2058 3.669 3.470 -1.315 1.00 0.00 H new ATOM 489 N GLU A2059 8.535 2.809 0.725 1.00 0.00 N ATOM 490 CA GLU A2059 9.078 3.171 2.030 1.00 0.00 C ATOM 491 C GLU A2059 9.808 4.530 2.014 1.00 0.00 C ATOM 492 O GLU A2059 9.432 5.439 2.753 1.00 0.00 O ATOM 493 CB GLU A2059 9.936 2.047 2.620 1.00 0.00 C ATOM 494 CG GLU A2059 11.067 1.581 1.732 1.00 0.00 C ATOM 495 CD GLU A2059 11.862 0.493 2.367 1.00 0.00 C ATOM 496 OE1 GLU A2059 12.752 0.793 3.175 1.00 0.00 O ATOM 497 OE2 GLU A2059 11.624 -0.693 2.064 1.00 0.00 O ATOM 0 H GLU A2059 8.935 1.966 0.312 1.00 0.00 H new ATOM 0 HA GLU A2059 8.227 3.301 2.699 1.00 0.00 H new ATOM 0 HB2 GLU A2059 10.353 2.387 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A2059 9.292 1.196 2.842 1.00 0.00 H new ATOM 0 HG2 GLU A2059 10.662 1.228 0.784 1.00 0.00 H new ATOM 0 HG3 GLU A2059 11.721 2.423 1.505 1.00 0.00 H new ATOM 504 N MET A2060 10.787 4.694 1.120 1.00 0.00 N ATOM 505 CA MET A2060 11.538 5.957 1.012 1.00 0.00 C ATOM 506 C MET A2060 10.619 7.077 0.535 1.00 0.00 C ATOM 507 O MET A2060 10.781 8.251 0.901 1.00 0.00 O ATOM 508 CB MET A2060 12.736 5.794 0.055 1.00 0.00 C ATOM 509 CG MET A2060 13.539 7.071 -0.209 1.00 0.00 C ATOM 510 SD MET A2060 14.208 7.838 1.287 1.00 0.00 S ATOM 511 CE MET A2060 15.281 6.538 1.911 1.00 0.00 C ATOM 0 H MET A2060 11.081 3.973 0.461 1.00 0.00 H new ATOM 0 HA MET A2060 11.922 6.219 1.998 1.00 0.00 H new ATOM 0 HB2 MET A2060 13.408 5.040 0.465 1.00 0.00 H new ATOM 0 HB3 MET A2060 12.370 5.411 -0.898 1.00 0.00 H new ATOM 0 HG2 MET A2060 14.362 6.838 -0.885 1.00 0.00 H new ATOM 0 HG3 MET A2060 12.900 7.791 -0.720 1.00 0.00 H new ATOM 0 HE1 MET A2060 15.917 6.939 2.700 1.00 0.00 H new ATOM 0 HE2 MET A2060 14.674 5.726 2.311 1.00 0.00 H new ATOM 0 HE3 MET A2060 15.904 6.160 1.100 1.00 0.00 H new ATOM 521 N TRP A2061 9.637 6.695 -0.249 1.00 0.00 N ATOM 522 CA TRP A2061 8.666 7.610 -0.784 1.00 0.00 C ATOM 523 C TRP A2061 7.858 8.225 0.374 1.00 0.00 C ATOM 524 O TRP A2061 7.704 9.435 0.451 1.00 0.00 O ATOM 525 CB TRP A2061 7.770 6.856 -1.772 1.00 0.00 C ATOM 526 CG TRP A2061 6.889 7.707 -2.621 1.00 0.00 C ATOM 527 CD1 TRP A2061 7.271 8.462 -3.694 1.00 0.00 C ATOM 528 CD2 TRP A2061 5.478 7.860 -2.505 1.00 0.00 C ATOM 529 NE1 TRP A2061 6.183 9.084 -4.238 1.00 0.00 N ATOM 530 CE2 TRP A2061 5.069 8.732 -3.532 1.00 0.00 C ATOM 531 CE3 TRP A2061 4.516 7.350 -1.630 1.00 0.00 C ATOM 532 CZ2 TRP A2061 3.746 9.103 -3.709 1.00 0.00 C ATOM 533 CZ3 TRP A2061 3.203 7.724 -1.809 1.00 0.00 C ATOM 534 CH2 TRP A2061 2.831 8.591 -2.845 1.00 0.00 C ATOM 0 H TRP A2061 9.492 5.727 -0.534 1.00 0.00 H new ATOM 0 HA TRP A2061 9.151 8.426 -1.320 1.00 0.00 H new ATOM 0 HB2 TRP A2061 8.404 6.256 -2.425 1.00 0.00 H new ATOM 0 HB3 TRP A2061 7.144 6.163 -1.211 1.00 0.00 H new ATOM 0 HD1 TRP A2061 8.284 8.554 -4.058 1.00 0.00 H new ATOM 0 HE1 TRP A2061 6.200 9.711 -5.043 1.00 0.00 H new ATOM 0 HE3 TRP A2061 4.795 6.678 -0.832 1.00 0.00 H new ATOM 0 HZ2 TRP A2061 3.453 9.774 -4.503 1.00 0.00 H new ATOM 0 HZ3 TRP A2061 2.447 7.342 -1.139 1.00 0.00 H new ATOM 0 HH2 TRP A2061 1.791 8.859 -2.960 1.00 0.00 H new ATOM 545 N LEU A2062 7.414 7.384 1.305 1.00 0.00 N ATOM 546 CA LEU A2062 6.664 7.850 2.473 1.00 0.00 C ATOM 547 C LEU A2062 7.541 8.653 3.427 1.00 0.00 C ATOM 548 O LEU A2062 7.076 9.634 4.023 1.00 0.00 O ATOM 549 CB LEU A2062 6.012 6.693 3.233 1.00 0.00 C ATOM 550 CG LEU A2062 4.953 5.880 2.489 1.00 0.00 C ATOM 551 CD1 LEU A2062 4.387 4.810 3.397 1.00 0.00 C ATOM 552 CD2 LEU A2062 3.840 6.774 1.971 1.00 0.00 C ATOM 0 H LEU A2062 7.560 6.375 1.275 1.00 0.00 H new ATOM 0 HA LEU A2062 5.879 8.500 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A2062 6.800 6.011 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A2062 5.555 7.097 4.137 1.00 0.00 H new ATOM 0 HG LEU A2062 5.429 5.405 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A2062 3.633 4.236 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A2062 5.188 4.145 3.719 1.00 0.00 H new ATOM 0 HD13 LEU A2062 3.931 5.277 4.270 1.00 0.00 H new ATOM 0 HD21 LEU A2062 3.101 6.168 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A2062 3.363 7.283 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A2062 4.256 7.513 1.286 1.00 0.00 H new ATOM 564 N GLN A2063 8.805 8.251 3.550 1.00 0.00 N ATOM 565 CA GLN A2063 9.770 8.912 4.437 1.00 0.00 C ATOM 566 C GLN A2063 10.074 10.335 3.997 1.00 0.00 C ATOM 567 O GLN A2063 10.413 11.196 4.818 1.00 0.00 O ATOM 568 CB GLN A2063 11.058 8.113 4.512 1.00 0.00 C ATOM 569 CG GLN A2063 10.921 6.740 5.161 1.00 0.00 C ATOM 570 CD GLN A2063 10.557 6.775 6.645 1.00 0.00 C ATOM 571 OE1 GLN A2063 9.892 7.696 7.138 1.00 0.00 O ATOM 572 NE2 GLN A2063 10.981 5.770 7.360 1.00 0.00 N ATOM 0 H GLN A2063 9.192 7.458 3.039 1.00 0.00 H new ATOM 0 HA GLN A2063 9.312 8.960 5.425 1.00 0.00 H new ATOM 0 HB2 GLN A2063 11.449 7.985 3.503 1.00 0.00 H new ATOM 0 HB3 GLN A2063 11.796 8.691 5.069 1.00 0.00 H new ATOM 0 HG2 GLN A2063 10.159 6.173 4.626 1.00 0.00 H new ATOM 0 HG3 GLN A2063 11.861 6.201 5.043 1.00 0.00 H new ATOM 0 HE21 GLN A2063 11.527 5.027 6.923 1.00 0.00 H new ATOM 0 HE22 GLN A2063 10.767 5.727 8.356 1.00 0.00 H new ATOM 581 N GLY A2064 9.964 10.571 2.707 1.00 0.00 N ATOM 582 CA GLY A2064 10.168 11.901 2.155 1.00 0.00 C ATOM 583 C GLY A2064 8.926 12.772 2.296 1.00 0.00 C ATOM 584 O GLY A2064 8.937 13.954 1.934 1.00 0.00 O ATOM 0 H GLY A2064 9.733 9.858 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A2064 11.006 12.379 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A2064 10.436 11.820 1.102 1.00 0.00 H new ATOM 588 N HIS A2065 7.868 12.174 2.833 1.00 0.00 N ATOM 589 CA HIS A2065 6.582 12.811 3.096 1.00 0.00 C ATOM 590 C HIS A2065 5.950 13.442 1.854 1.00 0.00 C ATOM 591 O HIS A2065 6.053 14.650 1.636 1.00 0.00 O ATOM 592 CB HIS A2065 6.657 13.819 4.250 1.00 0.00 C ATOM 593 CG HIS A2065 7.053 13.222 5.569 1.00 0.00 C ATOM 594 ND1 HIS A2065 8.345 13.167 6.027 1.00 0.00 N ATOM 595 CD2 HIS A2065 6.295 12.659 6.533 1.00 0.00 C ATOM 596 CE1 HIS A2065 8.340 12.588 7.223 1.00 0.00 C ATOM 597 NE2 HIS A2065 7.115 12.254 7.582 1.00 0.00 N ATOM 0 H HIS A2065 7.883 11.192 3.108 1.00 0.00 H new ATOM 0 HA HIS A2065 5.920 12.001 3.403 1.00 0.00 H new ATOM 0 HB2 HIS A2065 7.372 14.599 3.989 1.00 0.00 H new ATOM 0 HB3 HIS A2065 5.685 14.300 4.360 1.00 0.00 H new ATOM 0 HD2 HIS A2065 5.222 12.541 6.496 1.00 0.00 H new ATOM 0 HE1 HIS A2065 9.222 12.414 7.822 1.00 0.00 H new ATOM 0 HE2 HIS A2065 6.829 11.795 8.447 1.00 0.00 H new ATOM 605 N PRO A2066 5.300 12.627 1.008 1.00 0.00 N ATOM 606 CA PRO A2066 4.638 13.110 -0.207 1.00 0.00 C ATOM 607 C PRO A2066 3.176 13.479 0.071 1.00 0.00 C ATOM 608 O PRO A2066 2.452 13.937 -0.811 1.00 0.00 O ATOM 609 CB PRO A2066 4.709 11.886 -1.112 1.00 0.00 C ATOM 610 CG PRO A2066 4.571 10.729 -0.175 1.00 0.00 C ATOM 611 CD PRO A2066 5.199 11.153 1.131 1.00 0.00 C ATOM 0 HA PRO A2066 5.095 14.006 -0.626 1.00 0.00 H new ATOM 0 HB2 PRO A2066 3.912 11.894 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A2066 5.653 11.847 -1.656 1.00 0.00 H new ATOM 0 HG2 PRO A2066 3.522 10.468 -0.034 1.00 0.00 H new ATOM 0 HG3 PRO A2066 5.068 9.845 -0.575 1.00 0.00 H new ATOM 0 HD2 PRO A2066 4.585 10.863 1.984 1.00 0.00 H new ATOM 0 HD3 PRO A2066 6.178 10.695 1.273 1.00 0.00 H new ATOM 619 N GLU A2067 2.780 13.279 1.330 1.00 0.00 N ATOM 620 CA GLU A2067 1.430 13.515 1.829 1.00 0.00 C ATOM 621 C GLU A2067 0.428 12.523 1.304 1.00 0.00 C ATOM 622 O GLU A2067 -0.778 12.788 1.180 1.00 0.00 O ATOM 623 CB GLU A2067 1.013 14.961 1.694 1.00 0.00 C ATOM 624 CG GLU A2067 1.875 15.838 2.562 1.00 0.00 C ATOM 625 CD GLU A2067 1.736 15.505 4.047 1.00 0.00 C ATOM 626 OE1 GLU A2067 2.196 14.401 4.501 1.00 0.00 O ATOM 627 OE2 GLU A2067 1.160 16.329 4.788 1.00 0.00 O ATOM 0 H GLU A2067 3.414 12.937 2.052 1.00 0.00 H new ATOM 0 HA GLU A2067 1.452 13.328 2.903 1.00 0.00 H new ATOM 0 HB2 GLU A2067 1.096 15.274 0.653 1.00 0.00 H new ATOM 0 HB3 GLU A2067 -0.033 15.073 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A2067 2.918 15.727 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A2067 1.606 16.882 2.400 1.00 0.00 H new ATOM 634 N PHE A2068 0.931 11.347 1.110 1.00 0.00 N ATOM 635 CA PHE A2068 0.174 10.197 0.756 1.00 0.00 C ATOM 636 C PHE A2068 0.561 9.099 1.715 1.00 0.00 C ATOM 637 O PHE A2068 1.681 9.113 2.227 1.00 0.00 O ATOM 638 CB PHE A2068 0.444 9.777 -0.686 1.00 0.00 C ATOM 639 CG PHE A2068 -0.198 10.654 -1.724 1.00 0.00 C ATOM 640 CD1 PHE A2068 0.302 11.918 -2.020 1.00 0.00 C ATOM 641 CD2 PHE A2068 -1.300 10.198 -2.417 1.00 0.00 C ATOM 642 CE1 PHE A2068 -0.298 12.706 -2.981 1.00 0.00 C ATOM 643 CE2 PHE A2068 -1.902 10.979 -3.377 1.00 0.00 C ATOM 644 CZ PHE A2068 -1.403 12.233 -3.660 1.00 0.00 C ATOM 0 H PHE A2068 1.929 11.156 1.199 1.00 0.00 H new ATOM 0 HA PHE A2068 -0.893 10.411 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A2068 1.521 9.768 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A2068 0.092 8.755 -0.825 1.00 0.00 H new ATOM 0 HD1 PHE A2068 1.169 12.287 -1.492 1.00 0.00 H new ATOM 0 HD2 PHE A2068 -1.695 9.216 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A2068 0.095 13.688 -3.201 1.00 0.00 H new ATOM 0 HE2 PHE A2068 -2.766 10.609 -3.909 1.00 0.00 H new ATOM 0 HZ PHE A2068 -1.877 12.845 -4.413 1.00 0.00 H new ATOM 654 N ALA A2069 -0.355 8.230 2.009 1.00 0.00 N ATOM 655 CA ALA A2069 -0.136 7.115 2.912 1.00 0.00 C ATOM 656 C ALA A2069 -0.771 5.894 2.306 1.00 0.00 C ATOM 657 O ALA A2069 -1.492 6.023 1.330 1.00 0.00 O ATOM 658 CB ALA A2069 -0.764 7.410 4.264 1.00 0.00 C ATOM 0 H ALA A2069 -1.300 8.266 1.626 1.00 0.00 H new ATOM 0 HA ALA A2069 0.932 6.952 3.059 1.00 0.00 H new ATOM 0 HB1 ALA A2069 -0.595 6.568 4.935 1.00 0.00 H new ATOM 0 HB2 ALA A2069 -0.313 8.308 4.687 1.00 0.00 H new ATOM 0 HB3 ALA A2069 -1.836 7.566 4.141 1.00 0.00 H new ATOM 664 N VAL A2070 -0.516 4.733 2.855 1.00 0.00 N ATOM 665 CA VAL A2070 -1.097 3.508 2.335 1.00 0.00 C ATOM 666 C VAL A2070 -2.613 3.511 2.566 1.00 0.00 C ATOM 667 O VAL A2070 -3.085 3.921 3.635 1.00 0.00 O ATOM 668 CB VAL A2070 -0.461 2.246 2.995 1.00 0.00 C ATOM 669 CG1 VAL A2070 -1.088 0.956 2.458 1.00 0.00 C ATOM 670 CG2 VAL A2070 1.046 2.227 2.775 1.00 0.00 C ATOM 0 H VAL A2070 0.091 4.604 3.664 1.00 0.00 H new ATOM 0 HA VAL A2070 -0.890 3.466 1.266 1.00 0.00 H new ATOM 0 HB VAL A2070 -0.662 2.299 4.065 1.00 0.00 H new ATOM 0 HG11 VAL A2070 -0.621 0.097 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A2070 -2.157 0.955 2.671 1.00 0.00 H new ATOM 0 HG13 VAL A2070 -0.933 0.897 1.381 1.00 0.00 H new ATOM 0 HG21 VAL A2070 1.471 1.339 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A2070 1.257 2.210 1.706 1.00 0.00 H new ATOM 0 HG23 VAL A2070 1.490 3.118 3.219 1.00 0.00 H new ATOM 680 N ASP A2071 -3.363 3.108 1.550 1.00 0.00 N ATOM 681 CA ASP A2071 -4.814 3.012 1.632 1.00 0.00 C ATOM 682 C ASP A2071 -5.220 2.067 2.768 1.00 0.00 C ATOM 683 O ASP A2071 -4.778 0.909 2.814 1.00 0.00 O ATOM 684 CB ASP A2071 -5.376 2.527 0.295 1.00 0.00 C ATOM 685 CG ASP A2071 -6.858 2.264 0.326 1.00 0.00 C ATOM 686 OD1 ASP A2071 -7.655 3.213 0.362 1.00 0.00 O ATOM 687 OD2 ASP A2071 -7.255 1.095 0.281 1.00 0.00 O ATOM 0 H ASP A2071 -2.982 2.838 0.643 1.00 0.00 H new ATOM 0 HA ASP A2071 -5.227 3.998 1.847 1.00 0.00 H new ATOM 0 HB2 ASP A2071 -5.163 3.272 -0.471 1.00 0.00 H new ATOM 0 HB3 ASP A2071 -4.859 1.613 0.003 1.00 0.00 H new ATOM 692 N PRO A2072 -6.058 2.544 3.710 1.00 0.00 N ATOM 693 CA PRO A2072 -6.456 1.762 4.892 1.00 0.00 C ATOM 694 C PRO A2072 -7.254 0.504 4.533 1.00 0.00 C ATOM 695 O PRO A2072 -7.252 -0.484 5.266 1.00 0.00 O ATOM 696 CB PRO A2072 -7.300 2.739 5.708 1.00 0.00 C ATOM 697 CG PRO A2072 -7.770 3.760 4.730 1.00 0.00 C ATOM 698 CD PRO A2072 -6.681 3.886 3.706 1.00 0.00 C ATOM 0 HA PRO A2072 -5.589 1.384 5.435 1.00 0.00 H new ATOM 0 HB2 PRO A2072 -8.140 2.232 6.183 1.00 0.00 H new ATOM 0 HB3 PRO A2072 -6.713 3.197 6.504 1.00 0.00 H new ATOM 0 HG2 PRO A2072 -8.708 3.453 4.266 1.00 0.00 H new ATOM 0 HG3 PRO A2072 -7.955 4.715 5.222 1.00 0.00 H new ATOM 0 HD2 PRO A2072 -7.079 4.143 2.724 1.00 0.00 H new ATOM 0 HD3 PRO A2072 -5.965 4.663 3.973 1.00 0.00 H new ATOM 706 N ARG A2073 -7.902 0.542 3.400 1.00 0.00 N ATOM 707 CA ARG A2073 -8.642 -0.585 2.884 1.00 0.00 C ATOM 708 C ARG A2073 -7.674 -1.655 2.383 1.00 0.00 C ATOM 709 O ARG A2073 -7.921 -2.839 2.548 1.00 0.00 O ATOM 710 CB ARG A2073 -9.565 -0.088 1.793 1.00 0.00 C ATOM 711 CG ARG A2073 -9.996 -1.085 0.736 1.00 0.00 C ATOM 712 CD ARG A2073 -10.693 -0.334 -0.373 1.00 0.00 C ATOM 713 NE ARG A2073 -9.907 0.870 -0.739 1.00 0.00 N ATOM 714 CZ ARG A2073 -10.362 1.917 -1.414 1.00 0.00 C ATOM 715 NH1 ARG A2073 -11.477 1.829 -2.122 1.00 0.00 N ATOM 716 NH2 ARG A2073 -9.665 3.037 -1.421 1.00 0.00 N ATOM 0 H ARG A2073 -7.933 1.366 2.799 1.00 0.00 H new ATOM 0 HA ARG A2073 -9.247 -1.046 3.664 1.00 0.00 H new ATOM 0 HB2 ARG A2073 -10.463 0.310 2.267 1.00 0.00 H new ATOM 0 HB3 ARG A2073 -9.074 0.745 1.290 1.00 0.00 H new ATOM 0 HG2 ARG A2073 -9.131 -1.621 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A2073 -10.664 -1.830 1.168 1.00 0.00 H new ATOM 0 HD2 ARG A2073 -10.811 -0.980 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A2073 -11.694 -0.043 -0.054 1.00 0.00 H new ATOM 0 HE ARG A2073 -8.930 0.895 -0.446 1.00 0.00 H new ATOM 0 HH11 ARG A2073 -11.994 0.950 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A2073 -11.819 2.640 -2.638 1.00 0.00 H new ATOM 0 HH21 ARG A2073 -8.784 3.093 -0.910 1.00 0.00 H new ATOM 0 HH22 ARG A2073 -10.007 3.847 -1.937 1.00 0.00 H new ATOM 730 N PHE A2074 -6.562 -1.230 1.803 1.00 0.00 N ATOM 731 CA PHE A2074 -5.536 -2.163 1.378 1.00 0.00 C ATOM 732 C PHE A2074 -4.884 -2.788 2.617 1.00 0.00 C ATOM 733 O PHE A2074 -4.538 -3.974 2.627 1.00 0.00 O ATOM 734 CB PHE A2074 -4.486 -1.482 0.489 1.00 0.00 C ATOM 735 CG PHE A2074 -3.487 -2.445 -0.095 1.00 0.00 C ATOM 736 CD1 PHE A2074 -3.793 -3.163 -1.240 1.00 0.00 C ATOM 737 CD2 PHE A2074 -2.251 -2.640 0.504 1.00 0.00 C ATOM 738 CE1 PHE A2074 -2.889 -4.058 -1.775 1.00 0.00 C ATOM 739 CE2 PHE A2074 -1.347 -3.533 -0.027 1.00 0.00 C ATOM 740 CZ PHE A2074 -1.666 -4.245 -1.169 1.00 0.00 C ATOM 0 H PHE A2074 -6.350 -0.250 1.618 1.00 0.00 H new ATOM 0 HA PHE A2074 -5.999 -2.945 0.777 1.00 0.00 H new ATOM 0 HB2 PHE A2074 -4.991 -0.957 -0.322 1.00 0.00 H new ATOM 0 HB3 PHE A2074 -3.957 -0.730 1.074 1.00 0.00 H new ATOM 0 HD1 PHE A2074 -4.750 -3.020 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A2074 -1.995 -2.086 1.395 1.00 0.00 H new ATOM 0 HE1 PHE A2074 -3.140 -4.611 -2.668 1.00 0.00 H new ATOM 0 HE2 PHE A2074 -0.388 -3.677 0.449 1.00 0.00 H new ATOM 0 HZ PHE A2074 -0.958 -4.946 -1.585 1.00 0.00 H new ATOM 750 N LEU A2075 -4.739 -1.986 3.664 1.00 0.00 N ATOM 751 CA LEU A2075 -4.240 -2.479 4.942 1.00 0.00 C ATOM 752 C LEU A2075 -5.223 -3.509 5.504 1.00 0.00 C ATOM 753 O LEU A2075 -4.825 -4.569 5.988 1.00 0.00 O ATOM 754 CB LEU A2075 -4.043 -1.327 5.939 1.00 0.00 C ATOM 755 CG LEU A2075 -2.985 -0.279 5.585 1.00 0.00 C ATOM 756 CD1 LEU A2075 -2.962 0.817 6.636 1.00 0.00 C ATOM 757 CD2 LEU A2075 -1.610 -0.924 5.473 1.00 0.00 C ATOM 0 H LEU A2075 -4.960 -0.990 3.654 1.00 0.00 H new ATOM 0 HA LEU A2075 -3.270 -2.950 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A2075 -4.998 -0.817 6.061 1.00 0.00 H new ATOM 0 HB3 LEU A2075 -3.785 -1.756 6.907 1.00 0.00 H new ATOM 0 HG LEU A2075 -3.242 0.160 4.621 1.00 0.00 H new ATOM 0 HD11 LEU A2075 -2.206 1.557 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A2075 -3.939 1.298 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A2075 -2.725 0.384 7.608 1.00 0.00 H new ATOM 0 HD21 LEU A2075 -0.871 -0.164 5.221 1.00 0.00 H new ATOM 0 HD22 LEU A2075 -1.346 -1.385 6.425 1.00 0.00 H new ATOM 0 HD23 LEU A2075 -1.628 -1.685 4.693 1.00 0.00 H new ATOM 769 N ALA A2076 -6.506 -3.200 5.385 1.00 0.00 N ATOM 770 CA ALA A2076 -7.574 -4.090 5.799 1.00 0.00 C ATOM 771 C ALA A2076 -7.549 -5.372 4.971 1.00 0.00 C ATOM 772 O ALA A2076 -7.792 -6.439 5.493 1.00 0.00 O ATOM 773 CB ALA A2076 -8.922 -3.400 5.671 1.00 0.00 C ATOM 0 H ALA A2076 -6.835 -2.317 4.995 1.00 0.00 H new ATOM 0 HA ALA A2076 -7.420 -4.351 6.846 1.00 0.00 H new ATOM 0 HB1 ALA A2076 -9.711 -4.082 5.986 1.00 0.00 H new ATOM 0 HB2 ALA A2076 -8.937 -2.512 6.302 1.00 0.00 H new ATOM 0 HB3 ALA A2076 -9.085 -3.110 4.633 1.00 0.00 H new ATOM 779 N TYR A2077 -7.257 -5.236 3.688 1.00 0.00 N ATOM 780 CA TYR A2077 -7.088 -6.351 2.757 1.00 0.00 C ATOM 781 C TYR A2077 -5.962 -7.287 3.217 1.00 0.00 C ATOM 782 O TYR A2077 -6.080 -8.516 3.134 1.00 0.00 O ATOM 783 CB TYR A2077 -6.803 -5.792 1.352 1.00 0.00 C ATOM 784 CG TYR A2077 -6.335 -6.816 0.364 1.00 0.00 C ATOM 785 CD1 TYR A2077 -7.122 -7.899 0.035 1.00 0.00 C ATOM 786 CD2 TYR A2077 -5.079 -6.711 -0.216 1.00 0.00 C ATOM 787 CE1 TYR A2077 -6.681 -8.848 -0.841 1.00 0.00 C ATOM 788 CE2 TYR A2077 -4.626 -7.660 -1.091 1.00 0.00 C ATOM 789 CZ TYR A2077 -5.427 -8.725 -1.407 1.00 0.00 C ATOM 790 OH TYR A2077 -4.964 -9.682 -2.272 1.00 0.00 O ATOM 0 H TYR A2077 -7.126 -4.325 3.249 1.00 0.00 H new ATOM 0 HA TYR A2077 -8.005 -6.940 2.730 1.00 0.00 H new ATOM 0 HB2 TYR A2077 -7.710 -5.323 0.970 1.00 0.00 H new ATOM 0 HB3 TYR A2077 -6.048 -5.009 1.431 1.00 0.00 H new ATOM 0 HD1 TYR A2077 -8.102 -7.998 0.477 1.00 0.00 H new ATOM 0 HD2 TYR A2077 -4.450 -5.868 0.027 1.00 0.00 H new ATOM 0 HE1 TYR A2077 -7.309 -9.691 -1.090 1.00 0.00 H new ATOM 0 HE2 TYR A2077 -3.643 -7.570 -1.530 1.00 0.00 H new ATOM 0 HH TYR A2077 -4.065 -9.439 -2.578 1.00 0.00 H new ATOM 800 N MET A2078 -4.891 -6.705 3.709 1.00 0.00 N ATOM 801 CA MET A2078 -3.760 -7.469 4.232 1.00 0.00 C ATOM 802 C MET A2078 -4.209 -8.325 5.425 1.00 0.00 C ATOM 803 O MET A2078 -3.812 -9.484 5.560 1.00 0.00 O ATOM 804 CB MET A2078 -2.626 -6.514 4.639 1.00 0.00 C ATOM 805 CG MET A2078 -1.386 -7.200 5.208 1.00 0.00 C ATOM 806 SD MET A2078 -0.072 -6.026 5.649 1.00 0.00 S ATOM 807 CE MET A2078 -0.902 -5.028 6.895 1.00 0.00 C ATOM 0 H MET A2078 -4.771 -5.693 3.762 1.00 0.00 H new ATOM 0 HA MET A2078 -3.386 -8.136 3.455 1.00 0.00 H new ATOM 0 HB2 MET A2078 -2.333 -5.928 3.768 1.00 0.00 H new ATOM 0 HB3 MET A2078 -3.009 -5.813 5.380 1.00 0.00 H new ATOM 0 HG2 MET A2078 -1.667 -7.773 6.092 1.00 0.00 H new ATOM 0 HG3 MET A2078 -1.002 -7.911 4.476 1.00 0.00 H new ATOM 0 HE1 MET A2078 -0.159 -4.501 7.494 1.00 0.00 H new ATOM 0 HE2 MET A2078 -1.554 -4.304 6.406 1.00 0.00 H new ATOM 0 HE3 MET A2078 -1.497 -5.674 7.541 1.00 0.00 H new