USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 690 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 Set 1.1: A 46 TYR OH : rot 167:sc= 0.554 USER MOD Set 1.2: A 61 THR OG1 : rot 61:sc= 0.83 USER MOD Set 2.1: A 26 SER OG : rot 120:sc= -0.343 USER MOD Set 2.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0764 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -1.81 X(o=-1.8,f=-2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc=-0.00274 X(o=-0.0027,f=-0.077) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 160:sc= -0.599 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -1.38 K(o=-1.4,f=-3.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.064) USER MOD Single : A 48 THR OG1 : rot -109:sc= -0.741 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 130:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.53! C(o=-3.5!,f=-3.7!) USER MOD Single : A 64 THR OG1 : rot 139:sc= -1.91! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= 0.384 (180deg=0.22) USER MOD Single : A 70 HIS : no HE2:sc= -7.5! C(o=-7.5!,f=-6!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.142 USER MOD Single : A 75 LYS NZ :NH3+ -146:sc= 0.201 (180deg=0.0877) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.297 -27.195 -12.859 1.00 0.00 N ATOM 2 CA GLY A 1 3.139 -27.856 -11.575 1.00 0.00 C ATOM 3 C GLY A 1 2.375 -26.968 -10.591 1.00 0.00 C ATOM 4 O GLY A 1 2.309 -25.753 -10.768 1.00 0.00 O ATOM 0 H1 GLY A 1 2.731 -27.691 -13.577 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.974 -26.209 -12.784 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.299 -27.211 -13.136 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.606 -28.797 -11.710 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.119 -28.100 -11.165 1.00 0.00 H new ATOM 8 N SER A 2 1.816 -27.610 -9.576 1.00 0.00 N ATOM 9 CA SER A 2 1.059 -26.894 -8.564 1.00 0.00 C ATOM 10 C SER A 2 1.891 -25.737 -8.008 1.00 0.00 C ATOM 11 O SER A 2 3.112 -25.842 -7.899 1.00 0.00 O ATOM 12 CB SER A 2 0.629 -27.830 -7.432 1.00 0.00 C ATOM 13 OG SER A 2 -0.685 -27.536 -6.965 1.00 0.00 O ATOM 0 H SER A 2 1.872 -28.618 -9.433 1.00 0.00 H new ATOM 0 HA SER A 2 0.159 -26.494 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.667 -28.862 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.334 -27.747 -6.605 1.00 0.00 H new ATOM 0 HG SER A 2 -0.922 -28.156 -6.244 1.00 0.00 H new ATOM 19 N SER A 3 1.198 -24.659 -7.671 1.00 0.00 N ATOM 20 CA SER A 3 1.858 -23.484 -7.130 1.00 0.00 C ATOM 21 C SER A 3 1.683 -23.438 -5.611 1.00 0.00 C ATOM 22 O SER A 3 0.729 -22.845 -5.110 1.00 0.00 O ATOM 23 CB SER A 3 1.312 -22.203 -7.766 1.00 0.00 C ATOM 24 OG SER A 3 2.046 -21.830 -8.929 1.00 0.00 O ATOM 0 H SER A 3 0.186 -24.575 -7.762 1.00 0.00 H new ATOM 0 HA SER A 3 2.920 -23.550 -7.365 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.264 -22.347 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.349 -21.392 -7.038 1.00 0.00 H new ATOM 0 HG SER A 3 1.666 -21.009 -9.306 1.00 0.00 H new ATOM 30 N GLY A 4 2.618 -24.073 -4.920 1.00 0.00 N ATOM 31 CA GLY A 4 2.579 -24.112 -3.468 1.00 0.00 C ATOM 32 C GLY A 4 3.391 -22.964 -2.866 1.00 0.00 C ATOM 33 O GLY A 4 2.839 -22.096 -2.191 1.00 0.00 O ATOM 0 H GLY A 4 3.407 -24.565 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.546 -24.049 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.974 -25.065 -3.116 1.00 0.00 H new ATOM 37 N SER A 5 4.688 -22.995 -3.133 1.00 0.00 N ATOM 38 CA SER A 5 5.582 -21.968 -2.626 1.00 0.00 C ATOM 39 C SER A 5 4.964 -20.585 -2.841 1.00 0.00 C ATOM 40 O SER A 5 5.097 -19.703 -1.993 1.00 0.00 O ATOM 41 CB SER A 5 6.952 -22.047 -3.302 1.00 0.00 C ATOM 42 OG SER A 5 7.820 -22.966 -2.643 1.00 0.00 O ATOM 0 H SER A 5 5.142 -23.716 -3.694 1.00 0.00 H new ATOM 0 HA SER A 5 5.724 -22.135 -1.558 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.826 -22.349 -4.342 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.410 -21.058 -3.310 1.00 0.00 H new ATOM 0 HG SER A 5 8.684 -22.989 -3.105 1.00 0.00 H new ATOM 48 N SER A 6 4.300 -20.438 -3.978 1.00 0.00 N ATOM 49 CA SER A 6 3.661 -19.177 -4.315 1.00 0.00 C ATOM 50 C SER A 6 2.283 -19.097 -3.655 1.00 0.00 C ATOM 51 O SER A 6 1.926 -18.071 -3.078 1.00 0.00 O ATOM 52 CB SER A 6 3.535 -19.011 -5.830 1.00 0.00 C ATOM 53 OG SER A 6 3.119 -17.697 -6.191 1.00 0.00 O ATOM 0 H SER A 6 4.191 -21.172 -4.678 1.00 0.00 H new ATOM 0 HA SER A 6 4.285 -18.366 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.494 -19.229 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.819 -19.737 -6.216 1.00 0.00 H new ATOM 0 HG SER A 6 3.052 -17.632 -7.167 1.00 0.00 H new ATOM 59 N GLY A 7 1.546 -20.192 -3.763 1.00 0.00 N ATOM 60 CA GLY A 7 0.215 -20.259 -3.184 1.00 0.00 C ATOM 61 C GLY A 7 0.228 -19.797 -1.725 1.00 0.00 C ATOM 62 O GLY A 7 -0.792 -19.349 -1.203 1.00 0.00 O ATOM 0 H GLY A 7 1.845 -21.041 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.468 -19.635 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.160 -21.281 -3.242 1.00 0.00 H new ATOM 66 N ASP A 8 1.394 -19.921 -1.108 1.00 0.00 N ATOM 67 CA ASP A 8 1.553 -19.522 0.280 1.00 0.00 C ATOM 68 C ASP A 8 1.431 -18.001 0.385 1.00 0.00 C ATOM 69 O ASP A 8 0.609 -17.491 1.145 1.00 0.00 O ATOM 70 CB ASP A 8 2.928 -19.925 0.814 1.00 0.00 C ATOM 71 CG ASP A 8 2.954 -20.338 2.287 1.00 0.00 C ATOM 72 OD1 ASP A 8 2.596 -19.481 3.124 1.00 0.00 O ATOM 73 OD2 ASP A 8 3.330 -21.502 2.544 1.00 0.00 O ATOM 0 H ASP A 8 2.238 -20.292 -1.544 1.00 0.00 H new ATOM 0 HA ASP A 8 0.780 -20.019 0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.306 -20.752 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.614 -19.090 0.674 1.00 0.00 H new ATOM 78 N GLN A 9 2.262 -17.318 -0.388 1.00 0.00 N ATOM 79 CA GLN A 9 2.259 -15.865 -0.391 1.00 0.00 C ATOM 80 C GLN A 9 1.050 -15.339 -1.169 1.00 0.00 C ATOM 81 O GLN A 9 0.691 -14.168 -1.048 1.00 0.00 O ATOM 82 CB GLN A 9 3.564 -15.314 -0.968 1.00 0.00 C ATOM 83 CG GLN A 9 3.689 -15.646 -2.456 1.00 0.00 C ATOM 84 CD GLN A 9 4.740 -14.760 -3.129 1.00 0.00 C ATOM 85 OE1 GLN A 9 5.875 -15.153 -3.344 1.00 0.00 O ATOM 86 NE2 GLN A 9 4.300 -13.547 -3.449 1.00 0.00 N ATOM 0 H GLN A 9 2.942 -17.744 -1.017 1.00 0.00 H new ATOM 0 HA GLN A 9 2.183 -15.519 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 9 3.600 -14.234 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.411 -15.734 -0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 9 3.961 -16.695 -2.577 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.725 -15.508 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 9 3.337 -13.282 -3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.925 -12.881 -3.903 1.00 0.00 H new ATOM 95 N LYS A 10 0.457 -16.229 -1.950 1.00 0.00 N ATOM 96 CA LYS A 10 -0.703 -15.869 -2.748 1.00 0.00 C ATOM 97 C LYS A 10 -1.860 -15.495 -1.818 1.00 0.00 C ATOM 98 O LYS A 10 -2.633 -14.587 -2.118 1.00 0.00 O ATOM 99 CB LYS A 10 -1.044 -16.988 -3.734 1.00 0.00 C ATOM 100 CG LYS A 10 -1.427 -16.417 -5.100 1.00 0.00 C ATOM 101 CD LYS A 10 -1.422 -17.509 -6.172 1.00 0.00 C ATOM 102 CE LYS A 10 -2.550 -17.292 -7.182 1.00 0.00 C ATOM 103 NZ LYS A 10 -1.997 -16.959 -8.514 1.00 0.00 N ATOM 0 H LYS A 10 0.758 -17.199 -2.048 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.488 -14.992 -3.359 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.189 -17.656 -3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.867 -17.585 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.416 -15.962 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.728 -15.627 -5.377 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.462 -17.512 -6.689 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.534 -18.486 -5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.163 -18.191 -7.251 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.202 -16.488 -6.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.776 -16.815 -9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.432 -16.089 -8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.394 -17.739 -8.844 1.00 0.00 H new ATOM 117 N LYS A 11 -1.941 -16.215 -0.709 1.00 0.00 N ATOM 118 CA LYS A 11 -2.990 -15.970 0.267 1.00 0.00 C ATOM 119 C LYS A 11 -2.696 -14.665 1.009 1.00 0.00 C ATOM 120 O LYS A 11 -3.582 -13.826 1.171 1.00 0.00 O ATOM 121 CB LYS A 11 -3.155 -17.179 1.191 1.00 0.00 C ATOM 122 CG LYS A 11 -3.853 -18.331 0.466 1.00 0.00 C ATOM 123 CD LYS A 11 -3.275 -19.680 0.897 1.00 0.00 C ATOM 124 CE LYS A 11 -3.833 -20.816 0.037 1.00 0.00 C ATOM 125 NZ LYS A 11 -3.557 -22.127 0.666 1.00 0.00 N ATOM 0 H LYS A 11 -1.298 -16.968 -0.464 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.952 -15.844 -0.231 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.178 -17.507 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.734 -16.894 2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.922 -18.305 0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.739 -18.210 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.188 -19.657 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.512 -19.863 1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.908 -20.687 -0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.386 -20.781 -0.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.942 -22.886 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.530 -22.254 0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.005 -22.163 1.604 1.00 0.00 H new ATOM 139 N PHE A 12 -1.450 -14.533 1.439 1.00 0.00 N ATOM 140 CA PHE A 12 -1.029 -13.344 2.160 1.00 0.00 C ATOM 141 C PHE A 12 -1.264 -12.084 1.324 1.00 0.00 C ATOM 142 O PHE A 12 -1.910 -11.143 1.781 1.00 0.00 O ATOM 143 CB PHE A 12 0.470 -13.491 2.428 1.00 0.00 C ATOM 144 CG PHE A 12 1.167 -12.181 2.800 1.00 0.00 C ATOM 145 CD1 PHE A 12 1.588 -11.334 1.822 1.00 0.00 C ATOM 146 CD2 PHE A 12 1.367 -11.864 4.107 1.00 0.00 C ATOM 147 CE1 PHE A 12 2.235 -10.118 2.167 1.00 0.00 C ATOM 148 CE2 PHE A 12 2.014 -10.648 4.452 1.00 0.00 C ATOM 149 CZ PHE A 12 2.435 -9.800 3.475 1.00 0.00 C ATOM 0 H PHE A 12 -0.718 -15.230 1.302 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.600 -13.247 3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.616 -14.210 3.234 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.948 -13.906 1.541 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.430 -11.586 0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.034 -12.537 4.883 1.00 0.00 H new ATOM 0 HE1 PHE A 12 2.569 -9.445 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.172 -10.396 5.490 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.927 -8.875 3.737 1.00 0.00 H new ATOM 159 N ILE A 13 -0.726 -12.107 0.113 1.00 0.00 N ATOM 160 CA ILE A 13 -0.869 -10.979 -0.791 1.00 0.00 C ATOM 161 C ILE A 13 -2.355 -10.678 -0.993 1.00 0.00 C ATOM 162 O ILE A 13 -2.783 -9.531 -0.870 1.00 0.00 O ATOM 163 CB ILE A 13 -0.111 -11.237 -2.095 1.00 0.00 C ATOM 164 CG1 ILE A 13 0.185 -9.926 -2.826 1.00 0.00 C ATOM 165 CG2 ILE A 13 -0.866 -12.230 -2.981 1.00 0.00 C ATOM 166 CD1 ILE A 13 1.311 -9.155 -2.134 1.00 0.00 C ATOM 0 H ILE A 13 -0.190 -12.889 -0.263 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.418 -10.086 -0.359 1.00 0.00 H new ATOM 0 HB ILE A 13 0.849 -11.691 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.464 -10.136 -3.858 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.715 -9.312 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.306 -12.396 -3.901 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.981 -13.176 -2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.850 -11.827 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.502 -8.227 -2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.019 -8.925 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.216 -9.762 -2.126 1.00 0.00 H new ATOM 178 N ASP A 14 -3.103 -11.728 -1.300 1.00 0.00 N ATOM 179 CA ASP A 14 -4.532 -11.591 -1.521 1.00 0.00 C ATOM 180 C ASP A 14 -5.157 -10.846 -0.340 1.00 0.00 C ATOM 181 O ASP A 14 -5.851 -9.848 -0.528 1.00 0.00 O ATOM 182 CB ASP A 14 -5.207 -12.960 -1.627 1.00 0.00 C ATOM 183 CG ASP A 14 -5.739 -13.313 -3.017 1.00 0.00 C ATOM 184 OD1 ASP A 14 -4.985 -13.084 -3.988 1.00 0.00 O ATOM 185 OD2 ASP A 14 -6.887 -13.804 -3.078 1.00 0.00 O ATOM 0 H ASP A 14 -2.745 -12.678 -1.401 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.678 -11.044 -2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.493 -13.725 -1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -6.034 -12.996 -0.918 1.00 0.00 H new ATOM 190 N GLN A 15 -4.888 -11.359 0.852 1.00 0.00 N ATOM 191 CA GLN A 15 -5.415 -10.755 2.063 1.00 0.00 C ATOM 192 C GLN A 15 -5.149 -9.248 2.064 1.00 0.00 C ATOM 193 O GLN A 15 -5.989 -8.466 2.506 1.00 0.00 O ATOM 194 CB GLN A 15 -4.821 -11.416 3.309 1.00 0.00 C ATOM 195 CG GLN A 15 -5.260 -12.878 3.415 1.00 0.00 C ATOM 196 CD GLN A 15 -5.797 -13.189 4.813 1.00 0.00 C ATOM 197 OE1 GLN A 15 -6.719 -12.561 5.307 1.00 0.00 O ATOM 198 NE2 GLN A 15 -5.170 -14.192 5.422 1.00 0.00 N ATOM 0 H GLN A 15 -4.312 -12.187 1.004 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.493 -10.915 2.085 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -3.733 -11.361 3.271 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.137 -10.872 4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.030 -13.085 2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -4.417 -13.532 3.192 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.405 -14.676 4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.454 -14.477 6.359 1.00 0.00 H new ATOM 207 N VAL A 16 -3.977 -8.886 1.563 1.00 0.00 N ATOM 208 CA VAL A 16 -3.590 -7.486 1.500 1.00 0.00 C ATOM 209 C VAL A 16 -4.457 -6.769 0.463 1.00 0.00 C ATOM 210 O VAL A 16 -5.024 -5.715 0.746 1.00 0.00 O ATOM 211 CB VAL A 16 -2.092 -7.370 1.211 1.00 0.00 C ATOM 212 CG1 VAL A 16 -1.680 -5.907 1.036 1.00 0.00 C ATOM 213 CG2 VAL A 16 -1.268 -8.045 2.309 1.00 0.00 C ATOM 0 H VAL A 16 -3.283 -9.537 1.197 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.760 -6.998 2.460 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.890 -7.889 0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.611 -5.852 0.832 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.232 -5.471 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.904 -5.354 1.948 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.207 -7.948 2.079 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.477 -7.568 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.532 -9.101 2.365 1.00 0.00 H new ATOM 223 N ILE A 17 -4.531 -7.368 -0.716 1.00 0.00 N ATOM 224 CA ILE A 17 -5.319 -6.799 -1.796 1.00 0.00 C ATOM 225 C ILE A 17 -6.624 -6.236 -1.229 1.00 0.00 C ATOM 226 O ILE A 17 -6.966 -5.081 -1.478 1.00 0.00 O ATOM 227 CB ILE A 17 -5.526 -7.829 -2.909 1.00 0.00 C ATOM 228 CG1 ILE A 17 -4.186 -8.361 -3.420 1.00 0.00 C ATOM 229 CG2 ILE A 17 -6.383 -7.252 -4.037 1.00 0.00 C ATOM 230 CD1 ILE A 17 -3.143 -7.243 -3.490 1.00 0.00 C ATOM 0 H ILE A 17 -4.058 -8.242 -0.947 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.787 -5.967 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.070 -8.677 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.831 -9.154 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.319 -8.802 -4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.515 -8.004 -4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.357 -6.963 -3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.888 -6.377 -4.458 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -2.200 -7.648 -3.856 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -3.491 -6.463 -4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.995 -6.821 -2.496 1.00 0.00 H new ATOM 242 N GLU A 18 -7.317 -7.078 -0.477 1.00 0.00 N ATOM 243 CA GLU A 18 -8.576 -6.679 0.128 1.00 0.00 C ATOM 244 C GLU A 18 -8.422 -5.330 0.832 1.00 0.00 C ATOM 245 O GLU A 18 -9.210 -4.413 0.603 1.00 0.00 O ATOM 246 CB GLU A 18 -9.082 -7.749 1.098 1.00 0.00 C ATOM 247 CG GLU A 18 -9.631 -8.960 0.341 1.00 0.00 C ATOM 248 CD GLU A 18 -11.027 -8.671 -0.217 1.00 0.00 C ATOM 249 OE1 GLU A 18 -11.825 -8.069 0.534 1.00 0.00 O ATOM 250 OE2 GLU A 18 -11.264 -9.058 -1.381 1.00 0.00 O ATOM 0 H GLU A 18 -7.030 -8.035 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.319 -6.572 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.270 -8.063 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.861 -7.329 1.734 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.956 -9.220 -0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -9.673 -9.822 1.007 1.00 0.00 H new ATOM 257 N LYS A 19 -7.404 -5.251 1.676 1.00 0.00 N ATOM 258 CA LYS A 19 -7.137 -4.028 2.415 1.00 0.00 C ATOM 259 C LYS A 19 -7.043 -2.856 1.436 1.00 0.00 C ATOM 260 O LYS A 19 -7.672 -1.819 1.642 1.00 0.00 O ATOM 261 CB LYS A 19 -5.897 -4.195 3.296 1.00 0.00 C ATOM 262 CG LYS A 19 -6.213 -5.037 4.533 1.00 0.00 C ATOM 263 CD LYS A 19 -5.026 -5.927 4.908 1.00 0.00 C ATOM 264 CE LYS A 19 -5.028 -6.241 6.406 1.00 0.00 C ATOM 265 NZ LYS A 19 -4.341 -7.526 6.667 1.00 0.00 N ATOM 0 H LYS A 19 -6.754 -6.014 1.865 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.958 -3.808 3.098 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.100 -4.669 2.723 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.530 -3.216 3.602 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.460 -4.383 5.369 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.090 -5.656 4.342 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.068 -6.855 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.094 -5.430 4.638 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.532 -5.439 6.952 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.054 -6.289 6.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.351 -7.724 7.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.831 -8.291 6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.357 -7.467 6.336 1.00 0.00 H new ATOM 279 N ILE A 20 -6.252 -3.059 0.393 1.00 0.00 N ATOM 280 CA ILE A 20 -6.068 -2.032 -0.618 1.00 0.00 C ATOM 281 C ILE A 20 -7.427 -1.660 -1.215 1.00 0.00 C ATOM 282 O ILE A 20 -7.867 -0.517 -1.101 1.00 0.00 O ATOM 283 CB ILE A 20 -5.041 -2.483 -1.659 1.00 0.00 C ATOM 284 CG1 ILE A 20 -3.655 -2.639 -1.031 1.00 0.00 C ATOM 285 CG2 ILE A 20 -5.023 -1.533 -2.858 1.00 0.00 C ATOM 286 CD1 ILE A 20 -2.815 -3.658 -1.803 1.00 0.00 C ATOM 0 H ILE A 20 -5.731 -3.920 0.226 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.658 -1.126 -0.171 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.339 -3.464 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.146 -1.675 -1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.756 -2.957 0.007 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.285 -1.876 -3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.008 -1.516 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.763 -0.529 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.835 -3.750 -1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.315 -4.626 -1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.696 -3.325 -2.834 1.00 0.00 H new ATOM 298 N GLU A 21 -8.053 -2.647 -1.838 1.00 0.00 N ATOM 299 CA GLU A 21 -9.353 -2.438 -2.453 1.00 0.00 C ATOM 300 C GLU A 21 -10.229 -1.561 -1.557 1.00 0.00 C ATOM 301 O GLU A 21 -10.803 -0.574 -2.017 1.00 0.00 O ATOM 302 CB GLU A 21 -10.039 -3.772 -2.753 1.00 0.00 C ATOM 303 CG GLU A 21 -9.382 -4.470 -3.947 1.00 0.00 C ATOM 304 CD GLU A 21 -10.438 -5.049 -4.891 1.00 0.00 C ATOM 305 OE1 GLU A 21 -11.276 -5.832 -4.395 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.382 -4.695 -6.089 1.00 0.00 O ATOM 0 H GLU A 21 -7.685 -3.594 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.205 -1.922 -3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.987 -4.417 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.095 -3.603 -2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.755 -3.761 -4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.729 -5.268 -3.593 1.00 0.00 H new ATOM 313 N ASP A 22 -10.306 -1.952 -0.293 1.00 0.00 N ATOM 314 CA ASP A 22 -11.103 -1.213 0.672 1.00 0.00 C ATOM 315 C ASP A 22 -10.607 0.233 0.736 1.00 0.00 C ATOM 316 O ASP A 22 -11.400 1.169 0.642 1.00 0.00 O ATOM 317 CB ASP A 22 -10.974 -1.819 2.071 1.00 0.00 C ATOM 318 CG ASP A 22 -12.234 -1.725 2.934 1.00 0.00 C ATOM 319 OD1 ASP A 22 -13.155 -2.532 2.685 1.00 0.00 O ATOM 320 OD2 ASP A 22 -12.247 -0.847 3.825 1.00 0.00 O ATOM 0 H ASP A 22 -9.830 -2.771 0.085 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.145 -1.257 0.354 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.697 -2.869 1.972 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.156 -1.321 2.592 1.00 0.00 H new ATOM 325 N PHE A 23 -9.299 0.370 0.894 1.00 0.00 N ATOM 326 CA PHE A 23 -8.688 1.687 0.972 1.00 0.00 C ATOM 327 C PHE A 23 -8.991 2.506 -0.285 1.00 0.00 C ATOM 328 O PHE A 23 -9.175 3.720 -0.209 1.00 0.00 O ATOM 329 CB PHE A 23 -7.177 1.473 1.076 1.00 0.00 C ATOM 330 CG PHE A 23 -6.345 2.613 0.484 1.00 0.00 C ATOM 331 CD1 PHE A 23 -6.605 3.900 0.841 1.00 0.00 C ATOM 332 CD2 PHE A 23 -5.346 2.340 -0.397 1.00 0.00 C ATOM 333 CE1 PHE A 23 -5.833 4.958 0.292 1.00 0.00 C ATOM 334 CE2 PHE A 23 -4.575 3.398 -0.946 1.00 0.00 C ATOM 335 CZ PHE A 23 -4.834 4.685 -0.590 1.00 0.00 C ATOM 0 H PHE A 23 -8.645 -0.409 0.970 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.081 2.231 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -6.909 1.348 2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.916 0.545 0.568 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.398 4.117 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.139 1.318 -0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -6.039 5.980 0.575 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.782 3.181 -1.647 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.247 5.490 -1.007 1.00 0.00 H new ATOM 345 N LEU A 24 -9.032 1.809 -1.411 1.00 0.00 N ATOM 346 CA LEU A 24 -9.308 2.457 -2.682 1.00 0.00 C ATOM 347 C LEU A 24 -10.794 2.814 -2.755 1.00 0.00 C ATOM 348 O LEU A 24 -11.155 3.886 -3.238 1.00 0.00 O ATOM 349 CB LEU A 24 -8.828 1.584 -3.844 1.00 0.00 C ATOM 350 CG LEU A 24 -7.355 1.172 -3.808 1.00 0.00 C ATOM 351 CD1 LEU A 24 -7.056 0.113 -4.872 1.00 0.00 C ATOM 352 CD2 LEU A 24 -6.441 2.392 -3.941 1.00 0.00 C ATOM 0 H LEU A 24 -8.879 0.802 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.751 3.390 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.437 0.680 -3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.013 2.119 -4.775 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.150 0.720 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.002 -0.162 -4.825 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.670 -0.769 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.282 0.515 -5.859 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.400 2.071 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.640 2.894 -4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.631 3.081 -3.118 1.00 0.00 H new ATOM 364 N GLN A 25 -11.615 1.895 -2.268 1.00 0.00 N ATOM 365 CA GLN A 25 -13.054 2.100 -2.272 1.00 0.00 C ATOM 366 C GLN A 25 -13.408 3.394 -1.535 1.00 0.00 C ATOM 367 O GLN A 25 -14.249 4.164 -1.996 1.00 0.00 O ATOM 368 CB GLN A 25 -13.780 0.902 -1.656 1.00 0.00 C ATOM 369 CG GLN A 25 -13.904 -0.241 -2.665 1.00 0.00 C ATOM 370 CD GLN A 25 -15.224 -0.153 -3.434 1.00 0.00 C ATOM 371 OE1 GLN A 25 -15.753 0.917 -3.690 1.00 0.00 O ATOM 372 NE2 GLN A 25 -15.725 -1.333 -3.787 1.00 0.00 N ATOM 0 H GLN A 25 -11.312 1.007 -1.868 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.386 2.192 -3.306 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -13.238 0.557 -0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -14.772 1.206 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.069 -0.206 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.845 -1.197 -2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.231 -2.191 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.603 -1.380 -4.304 1.00 0.00 H new ATOM 381 N SER A 26 -12.748 3.592 -0.404 1.00 0.00 N ATOM 382 CA SER A 26 -12.983 4.779 0.401 1.00 0.00 C ATOM 383 C SER A 26 -12.479 6.020 -0.338 1.00 0.00 C ATOM 384 O SER A 26 -11.487 5.956 -1.062 1.00 0.00 O ATOM 385 CB SER A 26 -12.303 4.662 1.766 1.00 0.00 C ATOM 386 OG SER A 26 -13.049 5.311 2.792 1.00 0.00 O ATOM 0 H SER A 26 -12.051 2.951 -0.026 1.00 0.00 H new ATOM 0 HA SER A 26 -14.056 4.873 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.178 3.609 2.020 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.305 5.098 1.712 1.00 0.00 H new ATOM 0 HG SER A 26 -13.301 4.657 3.477 1.00 0.00 H new ATOM 392 N GLU A 27 -13.186 7.121 -0.131 1.00 0.00 N ATOM 393 CA GLU A 27 -12.823 8.375 -0.768 1.00 0.00 C ATOM 394 C GLU A 27 -11.902 9.188 0.144 1.00 0.00 C ATOM 395 O GLU A 27 -10.742 9.424 -0.191 1.00 0.00 O ATOM 396 CB GLU A 27 -14.069 9.179 -1.146 1.00 0.00 C ATOM 397 CG GLU A 27 -14.086 9.494 -2.643 1.00 0.00 C ATOM 398 CD GLU A 27 -13.251 10.738 -2.952 1.00 0.00 C ATOM 399 OE1 GLU A 27 -13.627 11.815 -2.441 1.00 0.00 O ATOM 400 OE2 GLU A 27 -12.255 10.584 -3.692 1.00 0.00 O ATOM 0 H GLU A 27 -14.009 7.171 0.469 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.283 8.149 -1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.964 8.617 -0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -14.094 10.107 -0.575 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.697 8.643 -3.202 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.113 9.650 -2.974 1.00 0.00 H new ATOM 407 N GLU A 28 -12.452 9.592 1.279 1.00 0.00 N ATOM 408 CA GLU A 28 -11.695 10.373 2.242 1.00 0.00 C ATOM 409 C GLU A 28 -10.278 9.812 2.382 1.00 0.00 C ATOM 410 O GLU A 28 -9.308 10.568 2.422 1.00 0.00 O ATOM 411 CB GLU A 28 -12.405 10.412 3.597 1.00 0.00 C ATOM 412 CG GLU A 28 -12.894 9.020 4.000 1.00 0.00 C ATOM 413 CD GLU A 28 -14.372 9.051 4.394 1.00 0.00 C ATOM 414 OE1 GLU A 28 -14.657 9.587 5.487 1.00 0.00 O ATOM 415 OE2 GLU A 28 -15.184 8.537 3.594 1.00 0.00 O ATOM 0 H GLU A 28 -13.414 9.393 1.554 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.626 11.397 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.725 10.797 4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.250 11.099 3.549 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.749 8.326 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.299 8.649 4.835 1.00 0.00 H new ATOM 422 N LYS A 29 -10.202 8.491 2.453 1.00 0.00 N ATOM 423 CA LYS A 29 -8.920 7.821 2.588 1.00 0.00 C ATOM 424 C LYS A 29 -7.907 8.473 1.645 1.00 0.00 C ATOM 425 O LYS A 29 -8.216 8.738 0.484 1.00 0.00 O ATOM 426 CB LYS A 29 -9.079 6.314 2.375 1.00 0.00 C ATOM 427 CG LYS A 29 -9.828 5.671 3.543 1.00 0.00 C ATOM 428 CD LYS A 29 -9.661 4.150 3.530 1.00 0.00 C ATOM 429 CE LYS A 29 -10.100 3.539 4.863 1.00 0.00 C ATOM 430 NZ LYS A 29 -11.312 2.709 4.678 1.00 0.00 N ATOM 0 H LYS A 29 -11.008 7.867 2.420 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.533 7.937 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.619 6.129 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.097 5.852 2.270 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.455 6.073 4.485 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.886 5.925 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.250 3.723 2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.619 3.897 3.335 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.294 2.930 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.301 4.331 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.597 2.302 5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.084 3.299 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.108 1.942 4.006 1.00 0.00 H new ATOM 444 N ARG A 30 -6.718 8.712 2.178 1.00 0.00 N ATOM 445 CA ARG A 30 -5.658 9.327 1.399 1.00 0.00 C ATOM 446 C ARG A 30 -4.464 8.377 1.284 1.00 0.00 C ATOM 447 O ARG A 30 -3.808 8.323 0.245 1.00 0.00 O ATOM 448 CB ARG A 30 -5.197 10.640 2.035 1.00 0.00 C ATOM 449 CG ARG A 30 -4.957 11.711 0.969 1.00 0.00 C ATOM 450 CD ARG A 30 -3.578 11.546 0.328 1.00 0.00 C ATOM 451 NE ARG A 30 -2.630 12.525 0.906 1.00 0.00 N ATOM 452 CZ ARG A 30 -2.721 13.851 0.734 1.00 0.00 C ATOM 453 NH1 ARG A 30 -3.717 14.364 -0.001 1.00 0.00 N ATOM 454 NH2 ARG A 30 -1.816 14.663 1.297 1.00 0.00 N ATOM 0 H ARG A 30 -6.465 8.490 3.141 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.056 9.538 0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.949 10.989 2.743 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.280 10.472 2.600 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.729 11.645 0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.037 12.701 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.211 10.533 0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.650 11.690 -0.750 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.859 12.168 1.471 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.406 13.745 -0.429 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.787 15.373 -0.132 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.058 14.272 1.856 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.885 15.672 1.166 1.00 0.00 H new ATOM 468 N SER A 31 -4.219 7.653 2.365 1.00 0.00 N ATOM 469 CA SER A 31 -3.115 6.708 2.399 1.00 0.00 C ATOM 470 C SER A 31 -3.491 5.494 3.251 1.00 0.00 C ATOM 471 O SER A 31 -4.272 5.612 4.194 1.00 0.00 O ATOM 472 CB SER A 31 -1.844 7.365 2.941 1.00 0.00 C ATOM 473 OG SER A 31 -2.096 8.669 3.458 1.00 0.00 O ATOM 0 H SER A 31 -4.766 7.701 3.225 1.00 0.00 H new ATOM 0 HA SER A 31 -2.915 6.379 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.419 6.740 3.726 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.101 7.428 2.146 1.00 0.00 H new ATOM 0 HG SER A 31 -1.261 9.054 3.796 1.00 0.00 H new ATOM 479 N LEU A 32 -2.916 4.357 2.889 1.00 0.00 N ATOM 480 CA LEU A 32 -3.181 3.123 3.609 1.00 0.00 C ATOM 481 C LEU A 32 -1.907 2.673 4.328 1.00 0.00 C ATOM 482 O LEU A 32 -0.801 2.914 3.847 1.00 0.00 O ATOM 483 CB LEU A 32 -3.761 2.066 2.667 1.00 0.00 C ATOM 484 CG LEU A 32 -4.310 0.802 3.332 1.00 0.00 C ATOM 485 CD1 LEU A 32 -5.581 1.109 4.126 1.00 0.00 C ATOM 486 CD2 LEU A 32 -4.531 -0.307 2.302 1.00 0.00 C ATOM 0 H LEU A 32 -2.268 4.264 2.107 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.940 3.285 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.562 2.525 2.088 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.985 1.773 1.960 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.567 0.438 4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.951 0.194 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.358 1.843 4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.341 1.509 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.921 -1.194 2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.245 0.031 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.584 -0.549 1.819 1.00 0.00 H new ATOM 498 N GLU A 33 -2.106 2.027 5.468 1.00 0.00 N ATOM 499 CA GLU A 33 -0.987 1.542 6.257 1.00 0.00 C ATOM 500 C GLU A 33 -1.096 0.029 6.459 1.00 0.00 C ATOM 501 O GLU A 33 -2.103 -0.462 6.968 1.00 0.00 O ATOM 502 CB GLU A 33 -0.907 2.270 7.600 1.00 0.00 C ATOM 503 CG GLU A 33 -0.900 3.787 7.402 1.00 0.00 C ATOM 504 CD GLU A 33 -0.973 4.516 8.745 1.00 0.00 C ATOM 505 OE1 GLU A 33 -0.768 3.834 9.773 1.00 0.00 O ATOM 506 OE2 GLU A 33 -1.231 5.738 8.714 1.00 0.00 O ATOM 0 H GLU A 33 -3.025 1.829 5.863 1.00 0.00 H new ATOM 0 HA GLU A 33 -0.066 1.751 5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.755 1.985 8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.005 1.965 8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.005 4.084 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.745 4.080 6.779 1.00 0.00 H new ATOM 513 N LEU A 34 -0.047 -0.668 6.050 1.00 0.00 N ATOM 514 CA LEU A 34 -0.012 -2.115 6.180 1.00 0.00 C ATOM 515 C LEU A 34 0.809 -2.493 7.414 1.00 0.00 C ATOM 516 O LEU A 34 1.389 -1.626 8.067 1.00 0.00 O ATOM 517 CB LEU A 34 0.491 -2.757 4.885 1.00 0.00 C ATOM 518 CG LEU A 34 -0.537 -2.896 3.761 1.00 0.00 C ATOM 519 CD1 LEU A 34 0.143 -3.243 2.436 1.00 0.00 C ATOM 520 CD2 LEU A 34 -1.621 -3.911 4.133 1.00 0.00 C ATOM 0 H LEU A 34 0.786 -0.258 5.628 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.017 -2.508 6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.329 -2.168 4.513 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.878 -3.748 5.121 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.030 -1.933 3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.610 -3.336 1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.846 -2.454 2.170 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.678 -4.187 2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.340 -3.991 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.163 -4.884 4.310 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.133 -3.581 5.037 1.00 0.00 H new ATOM 532 N ASP A 35 0.833 -3.787 7.696 1.00 0.00 N ATOM 533 CA ASP A 35 1.574 -4.290 8.840 1.00 0.00 C ATOM 534 C ASP A 35 3.043 -4.469 8.453 1.00 0.00 C ATOM 535 O ASP A 35 3.357 -4.703 7.287 1.00 0.00 O ATOM 536 CB ASP A 35 1.035 -5.649 9.291 1.00 0.00 C ATOM 537 CG ASP A 35 -0.215 -5.589 10.171 1.00 0.00 C ATOM 538 OD1 ASP A 35 -0.325 -4.607 10.937 1.00 0.00 O ATOM 539 OD2 ASP A 35 -1.034 -6.527 10.058 1.00 0.00 O ATOM 0 H ASP A 35 0.351 -4.503 7.152 1.00 0.00 H new ATOM 0 HA ASP A 35 1.467 -3.572 9.653 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.810 -6.245 8.407 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.821 -6.172 9.837 1.00 0.00 H new ATOM 544 N PRO A 36 3.927 -4.349 9.479 1.00 0.00 N ATOM 545 CA PRO A 36 5.356 -4.495 9.257 1.00 0.00 C ATOM 546 C PRO A 36 5.732 -5.964 9.059 1.00 0.00 C ATOM 547 O PRO A 36 5.509 -6.791 9.942 1.00 0.00 O ATOM 548 CB PRO A 36 6.009 -3.874 10.481 1.00 0.00 C ATOM 549 CG PRO A 36 4.930 -3.824 11.550 1.00 0.00 C ATOM 550 CD PRO A 36 3.591 -4.072 10.873 1.00 0.00 C ATOM 0 HA PRO A 36 5.694 -3.999 8.347 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.860 -4.468 10.813 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.385 -2.875 10.259 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.116 -4.577 12.316 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.932 -2.855 12.049 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.066 -4.912 11.328 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.937 -3.204 10.958 1.00 0.00 H new ATOM 558 N CYS A 37 6.298 -6.245 7.894 1.00 0.00 N ATOM 559 CA CYS A 37 6.708 -7.600 7.568 1.00 0.00 C ATOM 560 C CYS A 37 8.153 -7.790 8.033 1.00 0.00 C ATOM 561 O CYS A 37 8.707 -6.930 8.717 1.00 0.00 O ATOM 562 CB CYS A 37 6.545 -7.897 6.076 1.00 0.00 C ATOM 563 SG CYS A 37 4.779 -7.799 5.607 1.00 0.00 S ATOM 0 H CYS A 37 6.482 -5.557 7.164 1.00 0.00 H new ATOM 0 HA CYS A 37 6.064 -8.311 8.085 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.125 -7.185 5.490 1.00 0.00 H new ATOM 0 HB3 CYS A 37 6.935 -8.889 5.850 1.00 0.00 H new ATOM 0 HG CYS A 37 4.680 -7.626 4.322 1.00 0.00 H new ATOM 569 N THR A 38 8.722 -8.921 7.645 1.00 0.00 N ATOM 570 CA THR A 38 10.092 -9.235 8.013 1.00 0.00 C ATOM 571 C THR A 38 11.057 -8.786 6.914 1.00 0.00 C ATOM 572 O THR A 38 12.206 -8.446 7.192 1.00 0.00 O ATOM 573 CB THR A 38 10.170 -10.733 8.315 1.00 0.00 C ATOM 574 OG1 THR A 38 11.567 -10.999 8.397 1.00 0.00 O ATOM 575 CG2 THR A 38 9.695 -11.592 7.141 1.00 0.00 C ATOM 0 H THR A 38 8.259 -9.632 7.079 1.00 0.00 H new ATOM 0 HA THR A 38 10.394 -8.692 8.909 1.00 0.00 H new ATOM 0 HB THR A 38 9.568 -10.957 9.196 1.00 0.00 H new ATOM 0 HG1 THR A 38 11.708 -11.949 8.592 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.771 -12.646 7.407 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.658 -11.350 6.909 1.00 0.00 H new ATOM 0 HG23 THR A 38 10.318 -11.393 6.269 1.00 0.00 H new ATOM 583 N GLY A 39 10.553 -8.799 5.688 1.00 0.00 N ATOM 584 CA GLY A 39 11.356 -8.397 4.545 1.00 0.00 C ATOM 585 C GLY A 39 10.849 -9.055 3.261 1.00 0.00 C ATOM 586 O GLY A 39 10.600 -8.375 2.267 1.00 0.00 O ATOM 0 H GLY A 39 9.599 -9.081 5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.326 -7.313 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.397 -8.672 4.713 1.00 0.00 H new ATOM 590 N PHE A 40 10.710 -10.372 3.323 1.00 0.00 N ATOM 591 CA PHE A 40 10.237 -11.129 2.177 1.00 0.00 C ATOM 592 C PHE A 40 8.853 -10.650 1.736 1.00 0.00 C ATOM 593 O PHE A 40 8.696 -10.116 0.639 1.00 0.00 O ATOM 594 CB PHE A 40 10.142 -12.592 2.616 1.00 0.00 C ATOM 595 CG PHE A 40 10.324 -13.597 1.477 1.00 0.00 C ATOM 596 CD1 PHE A 40 11.547 -13.762 0.905 1.00 0.00 C ATOM 597 CD2 PHE A 40 9.263 -14.325 1.036 1.00 0.00 C ATOM 598 CE1 PHE A 40 11.716 -14.695 -0.153 1.00 0.00 C ATOM 599 CE2 PHE A 40 9.432 -15.257 -0.021 1.00 0.00 C ATOM 600 CZ PHE A 40 10.655 -15.423 -0.593 1.00 0.00 C ATOM 0 H PHE A 40 10.917 -10.933 4.149 1.00 0.00 H new ATOM 0 HA PHE A 40 10.920 -10.999 1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.898 -12.782 3.378 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.171 -12.758 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.389 -13.184 1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.292 -14.194 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.687 -14.826 -0.608 1.00 0.00 H new ATOM 0 HE2 PHE A 40 8.589 -15.835 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.783 -16.133 -1.397 1.00 0.00 H new ATOM 610 N GLN A 41 7.883 -10.858 2.615 1.00 0.00 N ATOM 611 CA GLN A 41 6.516 -10.454 2.330 1.00 0.00 C ATOM 612 C GLN A 41 6.500 -9.091 1.635 1.00 0.00 C ATOM 613 O GLN A 41 5.743 -8.883 0.688 1.00 0.00 O ATOM 614 CB GLN A 41 5.675 -10.427 3.608 1.00 0.00 C ATOM 615 CG GLN A 41 4.925 -11.747 3.798 1.00 0.00 C ATOM 616 CD GLN A 41 4.747 -12.067 5.284 1.00 0.00 C ATOM 617 OE1 GLN A 41 5.352 -11.462 6.153 1.00 0.00 O ATOM 618 NE2 GLN A 41 3.884 -13.050 5.526 1.00 0.00 N ATOM 0 H GLN A 41 8.016 -11.301 3.524 1.00 0.00 H new ATOM 0 HA GLN A 41 6.073 -11.189 1.658 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.319 -10.243 4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.963 -9.603 3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.949 -11.688 3.316 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.473 -12.554 3.311 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.411 -13.515 4.751 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.695 -13.338 6.486 1.00 0.00 H new ATOM 627 N ARG A 42 7.344 -8.198 2.131 1.00 0.00 N ATOM 628 CA ARG A 42 7.435 -6.862 1.569 1.00 0.00 C ATOM 629 C ARG A 42 7.728 -6.936 0.069 1.00 0.00 C ATOM 630 O ARG A 42 7.014 -6.339 -0.736 1.00 0.00 O ATOM 631 CB ARG A 42 8.535 -6.050 2.257 1.00 0.00 C ATOM 632 CG ARG A 42 8.283 -5.951 3.763 1.00 0.00 C ATOM 633 CD ARG A 42 8.957 -4.709 4.351 1.00 0.00 C ATOM 634 NE ARG A 42 10.049 -5.111 5.265 1.00 0.00 N ATOM 635 CZ ARG A 42 10.866 -4.248 5.884 1.00 0.00 C ATOM 636 NH1 ARG A 42 10.719 -2.930 5.691 1.00 0.00 N ATOM 637 NH2 ARG A 42 11.830 -4.703 6.696 1.00 0.00 N ATOM 0 H ARG A 42 7.971 -8.374 2.916 1.00 0.00 H new ATOM 0 HA ARG A 42 6.477 -6.367 1.731 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.503 -6.517 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.578 -5.050 1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.211 -5.912 3.954 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.663 -6.844 4.259 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.354 -4.086 3.549 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.224 -4.108 4.889 1.00 0.00 H new ATOM 0 HE ARG A 42 10.189 -6.107 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.985 -2.584 5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.341 -2.273 6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.942 -5.706 6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.452 -4.046 7.167 1.00 0.00 H new ATOM 651 N LYS A 43 8.778 -7.672 -0.261 1.00 0.00 N ATOM 652 CA LYS A 43 9.173 -7.832 -1.650 1.00 0.00 C ATOM 653 C LYS A 43 8.001 -8.409 -2.446 1.00 0.00 C ATOM 654 O LYS A 43 7.896 -8.187 -3.652 1.00 0.00 O ATOM 655 CB LYS A 43 10.454 -8.663 -1.751 1.00 0.00 C ATOM 656 CG LYS A 43 10.167 -10.144 -1.495 1.00 0.00 C ATOM 657 CD LYS A 43 10.834 -11.023 -2.555 1.00 0.00 C ATOM 658 CE LYS A 43 12.235 -11.449 -2.112 1.00 0.00 C ATOM 659 NZ LYS A 43 12.891 -12.254 -3.167 1.00 0.00 N ATOM 0 H LYS A 43 9.368 -8.165 0.410 1.00 0.00 H new ATOM 0 HA LYS A 43 9.413 -6.865 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.895 -8.540 -2.740 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.185 -8.300 -1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.530 -10.423 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.091 -10.316 -1.500 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.222 -11.906 -2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.897 -10.478 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.837 -10.567 -1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.171 -12.029 -1.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.841 -12.535 -2.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.324 -13.105 -3.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.970 -11.689 -4.036 1.00 0.00 H new ATOM 673 N LEU A 44 7.150 -9.138 -1.740 1.00 0.00 N ATOM 674 CA LEU A 44 5.989 -9.748 -2.366 1.00 0.00 C ATOM 675 C LEU A 44 4.960 -8.663 -2.691 1.00 0.00 C ATOM 676 O LEU A 44 4.482 -8.575 -3.821 1.00 0.00 O ATOM 677 CB LEU A 44 5.438 -10.875 -1.490 1.00 0.00 C ATOM 678 CG LEU A 44 6.468 -11.873 -0.955 1.00 0.00 C ATOM 679 CD1 LEU A 44 5.796 -12.946 -0.096 1.00 0.00 C ATOM 680 CD2 LEU A 44 7.287 -12.480 -2.095 1.00 0.00 C ATOM 0 H LEU A 44 7.241 -9.320 -0.741 1.00 0.00 H new ATOM 0 HA LEU A 44 6.268 -10.216 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.919 -10.429 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.693 -11.425 -2.066 1.00 0.00 H new ATOM 0 HG LEU A 44 7.164 -11.335 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.550 -13.642 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.295 -12.474 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.064 -13.487 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.011 -13.185 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.622 -13.000 -2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.813 -11.687 -2.627 1.00 0.00 H new ATOM 692 N ILE A 45 4.650 -7.865 -1.680 1.00 0.00 N ATOM 693 CA ILE A 45 3.687 -6.790 -1.844 1.00 0.00 C ATOM 694 C ILE A 45 4.121 -5.895 -3.007 1.00 0.00 C ATOM 695 O ILE A 45 3.333 -5.617 -3.909 1.00 0.00 O ATOM 696 CB ILE A 45 3.496 -6.036 -0.526 1.00 0.00 C ATOM 697 CG1 ILE A 45 2.881 -6.945 0.541 1.00 0.00 C ATOM 698 CG2 ILE A 45 2.675 -4.763 -0.737 1.00 0.00 C ATOM 699 CD1 ILE A 45 2.668 -6.185 1.851 1.00 0.00 C ATOM 0 H ILE A 45 5.049 -7.942 -0.744 1.00 0.00 H new ATOM 0 HA ILE A 45 2.707 -7.193 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 45 4.477 -5.730 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.928 -7.337 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.533 -7.801 0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.554 -4.246 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.190 -4.110 -1.441 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.695 -5.024 -1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.230 -6.853 2.592 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.626 -5.815 2.217 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.996 -5.344 1.679 1.00 0.00 H new ATOM 711 N TYR A 46 5.374 -5.468 -2.947 1.00 0.00 N ATOM 712 CA TYR A 46 5.922 -4.610 -3.984 1.00 0.00 C ATOM 713 C TYR A 46 5.888 -5.306 -5.346 1.00 0.00 C ATOM 714 O TYR A 46 5.590 -4.678 -6.361 1.00 0.00 O ATOM 715 CB TYR A 46 7.379 -4.354 -3.592 1.00 0.00 C ATOM 716 CG TYR A 46 7.551 -3.321 -2.477 1.00 0.00 C ATOM 717 CD1 TYR A 46 7.114 -2.025 -2.664 1.00 0.00 C ATOM 718 CD2 TYR A 46 8.142 -3.684 -1.284 1.00 0.00 C ATOM 719 CE1 TYR A 46 7.276 -1.052 -1.614 1.00 0.00 C ATOM 720 CE2 TYR A 46 8.304 -2.712 -0.235 1.00 0.00 C ATOM 721 CZ TYR A 46 7.863 -1.444 -0.451 1.00 0.00 C ATOM 722 OH TYR A 46 8.016 -0.525 0.540 1.00 0.00 O ATOM 0 H TYR A 46 6.025 -5.700 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 46 5.343 -3.690 -4.067 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.830 -5.294 -3.275 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.928 -4.018 -4.472 1.00 0.00 H new ATOM 0 HD1 TYR A 46 6.651 -1.741 -3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.483 -4.698 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 46 6.939 -0.035 -1.747 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.766 -2.984 0.703 1.00 0.00 H new ATOM 0 HH TYR A 46 8.253 -0.980 1.375 1.00 0.00 H new ATOM 732 N GLN A 47 6.197 -6.594 -5.325 1.00 0.00 N ATOM 733 CA GLN A 47 6.205 -7.382 -6.546 1.00 0.00 C ATOM 734 C GLN A 47 4.791 -7.487 -7.119 1.00 0.00 C ATOM 735 O GLN A 47 4.598 -7.372 -8.329 1.00 0.00 O ATOM 736 CB GLN A 47 6.801 -8.770 -6.299 1.00 0.00 C ATOM 737 CG GLN A 47 8.292 -8.795 -6.641 1.00 0.00 C ATOM 738 CD GLN A 47 8.514 -9.235 -8.090 1.00 0.00 C ATOM 739 OE1 GLN A 47 8.096 -10.300 -8.514 1.00 0.00 O ATOM 740 NE2 GLN A 47 9.195 -8.359 -8.823 1.00 0.00 N ATOM 0 H GLN A 47 6.444 -7.112 -4.482 1.00 0.00 H new ATOM 0 HA GLN A 47 6.836 -6.877 -7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.659 -9.050 -5.255 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.273 -9.509 -6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 47 8.721 -7.805 -6.488 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.812 -9.475 -5.967 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.516 -7.485 -8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.396 -8.561 -9.802 1.00 0.00 H new ATOM 749 N THR A 48 3.838 -7.703 -6.224 1.00 0.00 N ATOM 750 CA THR A 48 2.447 -7.824 -6.627 1.00 0.00 C ATOM 751 C THR A 48 1.904 -6.468 -7.082 1.00 0.00 C ATOM 752 O THR A 48 1.471 -6.321 -8.224 1.00 0.00 O ATOM 753 CB THR A 48 1.668 -8.429 -5.457 1.00 0.00 C ATOM 754 OG1 THR A 48 1.976 -9.819 -5.517 1.00 0.00 O ATOM 755 CG2 THR A 48 0.154 -8.373 -5.671 1.00 0.00 C ATOM 0 H THR A 48 4.002 -7.797 -5.222 1.00 0.00 H new ATOM 0 HA THR A 48 2.339 -8.486 -7.486 1.00 0.00 H new ATOM 0 HB THR A 48 1.925 -7.901 -4.538 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.185 -10.317 -5.813 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.351 -8.815 -4.812 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.160 -7.335 -5.782 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.107 -8.929 -6.571 1.00 0.00 H new ATOM 763 N LEU A 49 1.943 -5.512 -6.165 1.00 0.00 N ATOM 764 CA LEU A 49 1.460 -4.174 -6.459 1.00 0.00 C ATOM 765 C LEU A 49 2.162 -3.646 -7.711 1.00 0.00 C ATOM 766 O LEU A 49 1.667 -2.728 -8.364 1.00 0.00 O ATOM 767 CB LEU A 49 1.619 -3.267 -5.236 1.00 0.00 C ATOM 768 CG LEU A 49 0.933 -3.744 -3.954 1.00 0.00 C ATOM 769 CD1 LEU A 49 1.234 -2.800 -2.788 1.00 0.00 C ATOM 770 CD2 LEU A 49 -0.571 -3.925 -4.172 1.00 0.00 C ATOM 0 H LEU A 49 2.302 -5.638 -5.218 1.00 0.00 H new ATOM 0 HA LEU A 49 0.392 -4.194 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.683 -3.148 -5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.230 -2.280 -5.487 1.00 0.00 H new ATOM 0 HG LEU A 49 1.340 -4.720 -3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.735 -3.161 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.310 -2.765 -2.617 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.872 -1.800 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.035 -4.264 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.012 -2.974 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.739 -4.665 -4.954 1.00 0.00 H new ATOM 782 N SER A 50 3.304 -4.248 -8.009 1.00 0.00 N ATOM 783 CA SER A 50 4.079 -3.850 -9.172 1.00 0.00 C ATOM 784 C SER A 50 3.225 -3.971 -10.436 1.00 0.00 C ATOM 785 O SER A 50 3.313 -3.131 -11.331 1.00 0.00 O ATOM 786 CB SER A 50 5.347 -4.696 -9.305 1.00 0.00 C ATOM 787 OG SER A 50 6.516 -3.891 -9.421 1.00 0.00 O ATOM 0 H SER A 50 3.711 -5.009 -7.465 1.00 0.00 H new ATOM 0 HA SER A 50 4.380 -2.811 -9.043 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.441 -5.348 -8.436 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.263 -5.341 -10.180 1.00 0.00 H new ATOM 0 HG SER A 50 7.304 -4.468 -9.502 1.00 0.00 H new ATOM 793 N TRP A 51 2.419 -5.022 -10.469 1.00 0.00 N ATOM 794 CA TRP A 51 1.551 -5.263 -11.609 1.00 0.00 C ATOM 795 C TRP A 51 0.105 -5.057 -11.153 1.00 0.00 C ATOM 796 O TRP A 51 -0.740 -4.620 -11.933 1.00 0.00 O ATOM 797 CB TRP A 51 1.798 -6.650 -12.203 1.00 0.00 C ATOM 798 CG TRP A 51 1.840 -7.774 -11.165 1.00 0.00 C ATOM 799 CD1 TRP A 51 2.912 -8.284 -10.544 1.00 0.00 C ATOM 800 CD2 TRP A 51 0.711 -8.510 -10.650 1.00 0.00 C ATOM 801 NE1 TRP A 51 2.558 -9.291 -9.669 1.00 0.00 N ATOM 802 CE2 TRP A 51 1.177 -9.433 -9.735 1.00 0.00 C ATOM 803 CE3 TRP A 51 -0.659 -8.400 -10.946 1.00 0.00 C ATOM 804 CZ2 TRP A 51 0.341 -10.316 -9.043 1.00 0.00 C ATOM 805 CZ3 TRP A 51 -1.482 -9.290 -10.245 1.00 0.00 C ATOM 806 CH2 TRP A 51 -1.028 -10.225 -9.322 1.00 0.00 C ATOM 0 H TRP A 51 2.349 -5.716 -9.725 1.00 0.00 H new ATOM 0 HA TRP A 51 1.767 -4.560 -12.413 1.00 0.00 H new ATOM 0 HB2 TRP A 51 1.014 -6.868 -12.928 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.742 -6.638 -12.748 1.00 0.00 H new ATOM 0 HD1 TRP A 51 3.926 -7.949 -10.708 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.193 -9.832 -9.082 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -1.046 -7.686 -11.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 0.731 -11.029 -8.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.544 -9.247 -10.435 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -1.728 -10.878 -8.822 1.00 0.00 H new ATOM 817 N LYS A 52 -0.136 -5.382 -9.891 1.00 0.00 N ATOM 818 CA LYS A 52 -1.465 -5.238 -9.322 1.00 0.00 C ATOM 819 C LYS A 52 -1.871 -3.764 -9.351 1.00 0.00 C ATOM 820 O LYS A 52 -3.048 -3.443 -9.511 1.00 0.00 O ATOM 821 CB LYS A 52 -1.522 -5.864 -7.927 1.00 0.00 C ATOM 822 CG LYS A 52 -1.980 -7.322 -7.999 1.00 0.00 C ATOM 823 CD LYS A 52 -2.941 -7.652 -6.854 1.00 0.00 C ATOM 824 CE LYS A 52 -4.397 -7.546 -7.313 1.00 0.00 C ATOM 825 NZ LYS A 52 -4.988 -8.893 -7.477 1.00 0.00 N ATOM 0 H LYS A 52 0.567 -5.745 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.196 -5.782 -9.920 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.539 -5.811 -7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.205 -5.295 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.471 -7.506 -8.955 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.114 -7.982 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.744 -8.659 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.768 -6.970 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.974 -6.976 -6.585 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.448 -7.002 -8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.976 -8.803 -7.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.447 -9.425 -8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.956 -9.399 -6.569 1.00 0.00 H new ATOM 839 N TYR A 53 -0.875 -2.905 -9.193 1.00 0.00 N ATOM 840 CA TYR A 53 -1.113 -1.472 -9.199 1.00 0.00 C ATOM 841 C TYR A 53 0.166 -0.705 -9.541 1.00 0.00 C ATOM 842 O TYR A 53 0.866 -0.230 -8.649 1.00 0.00 O ATOM 843 CB TYR A 53 -1.546 -1.110 -7.777 1.00 0.00 C ATOM 844 CG TYR A 53 -2.747 -1.911 -7.270 1.00 0.00 C ATOM 845 CD1 TYR A 53 -4.029 -1.457 -7.507 1.00 0.00 C ATOM 846 CD2 TYR A 53 -2.549 -3.086 -6.574 1.00 0.00 C ATOM 847 CE1 TYR A 53 -5.159 -2.210 -7.030 1.00 0.00 C ATOM 848 CE2 TYR A 53 -3.680 -3.839 -6.097 1.00 0.00 C ATOM 849 CZ TYR A 53 -4.929 -3.364 -6.348 1.00 0.00 C ATOM 850 OH TYR A 53 -5.997 -4.076 -5.897 1.00 0.00 O ATOM 0 H TYR A 53 0.100 -3.174 -9.060 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.865 -1.211 -9.944 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.706 -1.267 -7.101 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.789 -0.048 -7.741 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.184 -0.537 -8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.546 -3.441 -6.387 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.167 -1.866 -7.210 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.539 -4.761 -5.552 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.902 -5.014 -6.165 1.00 0.00 H new ATOM 860 N PRO A 54 0.438 -0.605 -10.870 1.00 0.00 N ATOM 861 CA PRO A 54 1.620 0.097 -11.341 1.00 0.00 C ATOM 862 C PRO A 54 1.440 1.612 -11.228 1.00 0.00 C ATOM 863 O PRO A 54 2.331 2.313 -10.752 1.00 0.00 O ATOM 864 CB PRO A 54 1.812 -0.374 -12.773 1.00 0.00 C ATOM 865 CG PRO A 54 0.477 -0.958 -13.203 1.00 0.00 C ATOM 866 CD PRO A 54 -0.369 -1.154 -11.955 1.00 0.00 C ATOM 0 HA PRO A 54 2.505 -0.120 -10.742 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.103 0.453 -13.420 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.603 -1.121 -12.835 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.024 -0.290 -13.903 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.624 -1.907 -13.718 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -1.324 -0.636 -12.039 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -0.591 -2.208 -11.789 1.00 0.00 H new ATOM 874 N LYS A 55 0.281 2.073 -11.675 1.00 0.00 N ATOM 875 CA LYS A 55 -0.028 3.492 -11.630 1.00 0.00 C ATOM 876 C LYS A 55 -1.402 3.691 -10.988 1.00 0.00 C ATOM 877 O LYS A 55 -2.386 3.091 -11.419 1.00 0.00 O ATOM 878 CB LYS A 55 0.094 4.111 -13.024 1.00 0.00 C ATOM 879 CG LYS A 55 -0.778 3.363 -14.034 1.00 0.00 C ATOM 880 CD LYS A 55 0.064 2.822 -15.191 1.00 0.00 C ATOM 881 CE LYS A 55 -0.701 2.906 -16.513 1.00 0.00 C ATOM 882 NZ LYS A 55 -1.523 1.692 -16.714 1.00 0.00 N ATOM 0 H LYS A 55 -0.456 1.489 -12.070 1.00 0.00 H new ATOM 0 HA LYS A 55 0.695 4.019 -11.007 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.203 5.159 -12.988 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.135 4.086 -13.347 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.291 2.540 -13.537 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.547 4.031 -14.421 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.991 3.390 -15.267 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.340 1.786 -14.992 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.340 3.789 -16.515 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.001 3.018 -17.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.036 1.765 -17.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.907 0.855 -16.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.205 1.602 -15.934 1.00 0.00 H new ATOM 896 N GLY A 56 -1.426 4.534 -9.966 1.00 0.00 N ATOM 897 CA GLY A 56 -2.664 4.820 -9.260 1.00 0.00 C ATOM 898 C GLY A 56 -2.414 4.977 -7.759 1.00 0.00 C ATOM 899 O GLY A 56 -3.081 5.769 -7.095 1.00 0.00 O ATOM 0 H GLY A 56 -0.608 5.028 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.110 5.732 -9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.379 4.015 -9.431 1.00 0.00 H new ATOM 903 N ILE A 57 -1.453 4.209 -7.268 1.00 0.00 N ATOM 904 CA ILE A 57 -1.107 4.253 -5.857 1.00 0.00 C ATOM 905 C ILE A 57 0.409 4.393 -5.712 1.00 0.00 C ATOM 906 O ILE A 57 1.153 4.147 -6.660 1.00 0.00 O ATOM 907 CB ILE A 57 -1.685 3.039 -5.126 1.00 0.00 C ATOM 908 CG1 ILE A 57 -1.484 1.761 -5.941 1.00 0.00 C ATOM 909 CG2 ILE A 57 -3.155 3.265 -4.766 1.00 0.00 C ATOM 910 CD1 ILE A 57 -0.001 1.522 -6.230 1.00 0.00 C ATOM 0 H ILE A 57 -0.903 3.552 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.555 5.126 -5.382 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.140 2.912 -4.190 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.894 0.910 -5.397 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -2.034 1.834 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.542 2.388 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.241 4.137 -4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.731 3.432 -5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.114 0.607 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.400 2.363 -6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.542 1.425 -5.290 1.00 0.00 H new ATOM 922 N HIS A 58 0.823 4.789 -4.517 1.00 0.00 N ATOM 923 CA HIS A 58 2.238 4.965 -4.236 1.00 0.00 C ATOM 924 C HIS A 58 2.601 4.225 -2.947 1.00 0.00 C ATOM 925 O HIS A 58 2.182 4.622 -1.860 1.00 0.00 O ATOM 926 CB HIS A 58 2.602 6.451 -4.189 1.00 0.00 C ATOM 927 CG HIS A 58 3.907 6.742 -3.488 1.00 0.00 C ATOM 928 ND1 HIS A 58 5.011 7.257 -4.143 1.00 0.00 N ATOM 929 CD2 HIS A 58 4.271 6.585 -2.183 1.00 0.00 C ATOM 930 CE1 HIS A 58 5.991 7.400 -3.262 1.00 0.00 C ATOM 931 NE2 HIS A 58 5.531 6.982 -2.048 1.00 0.00 N ATOM 0 H HIS A 58 0.204 4.993 -3.733 1.00 0.00 H new ATOM 0 HA HIS A 58 2.829 4.531 -5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.656 6.834 -5.208 1.00 0.00 H new ATOM 0 HB3 HIS A 58 1.802 6.995 -3.686 1.00 0.00 H new ATOM 0 HD1 HIS A 58 5.062 7.488 -5.135 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.641 6.203 -1.393 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.980 7.781 -3.469 1.00 0.00 H new ATOM 939 N VAL A 59 3.376 3.163 -3.110 1.00 0.00 N ATOM 940 CA VAL A 59 3.800 2.365 -1.973 1.00 0.00 C ATOM 941 C VAL A 59 5.227 2.757 -1.583 1.00 0.00 C ATOM 942 O VAL A 59 6.127 2.751 -2.421 1.00 0.00 O ATOM 943 CB VAL A 59 3.657 0.876 -2.296 1.00 0.00 C ATOM 944 CG1 VAL A 59 3.896 0.019 -1.052 1.00 0.00 C ATOM 945 CG2 VAL A 59 2.289 0.578 -2.912 1.00 0.00 C ATOM 0 H VAL A 59 3.721 2.837 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 59 3.162 2.560 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 59 4.419 0.618 -3.031 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.788 -1.035 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.902 0.199 -0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.168 0.281 -0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.213 -0.487 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.505 0.860 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.173 1.148 -3.834 1.00 0.00 H new ATOM 955 N GLU A 60 5.388 3.089 -0.310 1.00 0.00 N ATOM 956 CA GLU A 60 6.690 3.483 0.201 1.00 0.00 C ATOM 957 C GLU A 60 6.898 2.925 1.610 1.00 0.00 C ATOM 958 O GLU A 60 5.947 2.487 2.255 1.00 0.00 O ATOM 959 CB GLU A 60 6.847 5.005 0.186 1.00 0.00 C ATOM 960 CG GLU A 60 6.774 5.578 1.603 1.00 0.00 C ATOM 961 CD GLU A 60 8.145 6.081 2.061 1.00 0.00 C ATOM 962 OE1 GLU A 60 9.041 5.224 2.218 1.00 0.00 O ATOM 963 OE2 GLU A 60 8.265 7.312 2.244 1.00 0.00 O ATOM 0 H GLU A 60 4.639 3.093 0.382 1.00 0.00 H new ATOM 0 HA GLU A 60 7.456 3.065 -0.451 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.801 5.271 -0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.065 5.449 -0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.054 6.396 1.632 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.415 4.813 2.291 1.00 0.00 H new ATOM 970 N THR A 61 8.149 2.958 2.046 1.00 0.00 N ATOM 971 CA THR A 61 8.494 2.460 3.367 1.00 0.00 C ATOM 972 C THR A 61 8.628 3.620 4.355 1.00 0.00 C ATOM 973 O THR A 61 9.632 4.331 4.352 1.00 0.00 O ATOM 974 CB THR A 61 9.768 1.622 3.238 1.00 0.00 C ATOM 975 OG1 THR A 61 9.323 0.403 2.648 1.00 0.00 O ATOM 976 CG2 THR A 61 10.328 1.195 4.596 1.00 0.00 C ATOM 0 H THR A 61 8.936 3.322 1.508 1.00 0.00 H new ATOM 0 HA THR A 61 7.707 1.822 3.768 1.00 0.00 H new ATOM 0 HB THR A 61 10.523 2.191 2.696 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.935 0.588 1.768 1.00 0.00 H new ATOM 0 HG21 THR A 61 11.231 0.603 4.447 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.567 2.080 5.186 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.585 0.597 5.124 1.00 0.00 H new ATOM 984 N LEU A 62 7.602 3.775 5.179 1.00 0.00 N ATOM 985 CA LEU A 62 7.592 4.836 6.171 1.00 0.00 C ATOM 986 C LEU A 62 7.996 4.261 7.530 1.00 0.00 C ATOM 987 O LEU A 62 7.530 3.192 7.920 1.00 0.00 O ATOM 988 CB LEU A 62 6.237 5.546 6.182 1.00 0.00 C ATOM 989 CG LEU A 62 5.736 6.057 4.830 1.00 0.00 C ATOM 990 CD1 LEU A 62 4.276 6.506 4.920 1.00 0.00 C ATOM 991 CD2 LEU A 62 6.644 7.165 4.292 1.00 0.00 C ATOM 0 H LEU A 62 6.771 3.183 5.180 1.00 0.00 H new ATOM 0 HA LEU A 62 8.325 5.602 5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.493 4.860 6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.298 6.391 6.868 1.00 0.00 H new ATOM 0 HG LEU A 62 5.776 5.233 4.117 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.945 6.865 3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.655 5.665 5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.187 7.309 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.266 7.511 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.659 7.997 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.655 6.778 4.166 1.00 0.00 H new ATOM 1003 N GLU A 63 8.859 4.997 8.215 1.00 0.00 N ATOM 1004 CA GLU A 63 9.332 4.574 9.522 1.00 0.00 C ATOM 1005 C GLU A 63 9.066 5.666 10.561 1.00 0.00 C ATOM 1006 O GLU A 63 9.430 6.823 10.358 1.00 0.00 O ATOM 1007 CB GLU A 63 10.817 4.210 9.477 1.00 0.00 C ATOM 1008 CG GLU A 63 11.331 3.831 10.868 1.00 0.00 C ATOM 1009 CD GLU A 63 12.475 4.750 11.299 1.00 0.00 C ATOM 1010 OE1 GLU A 63 12.504 5.894 10.796 1.00 0.00 O ATOM 1011 OE2 GLU A 63 13.295 4.288 12.122 1.00 0.00 O ATOM 0 H GLU A 63 9.243 5.884 7.889 1.00 0.00 H new ATOM 0 HA GLU A 63 8.782 3.679 9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.971 3.378 8.790 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.390 5.053 9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.517 3.895 11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.673 2.796 10.864 1.00 0.00 H new ATOM 1018 N THR A 64 8.433 5.258 11.652 1.00 0.00 N ATOM 1019 CA THR A 64 8.115 6.187 12.723 1.00 0.00 C ATOM 1020 C THR A 64 8.631 5.655 14.062 1.00 0.00 C ATOM 1021 O THR A 64 9.693 5.037 14.120 1.00 0.00 O ATOM 1022 CB THR A 64 6.604 6.427 12.707 1.00 0.00 C ATOM 1023 OG1 THR A 64 6.072 5.347 13.469 1.00 0.00 O ATOM 1024 CG2 THR A 64 5.996 6.237 11.316 1.00 0.00 C ATOM 0 H THR A 64 8.132 4.297 11.817 1.00 0.00 H new ATOM 0 HA THR A 64 8.613 7.145 12.576 1.00 0.00 H new ATOM 0 HB THR A 64 6.393 7.436 13.061 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.354 5.678 14.048 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.922 6.419 11.360 1.00 0.00 H new ATOM 0 HG22 THR A 64 6.455 6.939 10.619 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.177 5.217 10.976 1.00 0.00 H new ATOM 1032 N ASP A 65 7.856 5.914 15.104 1.00 0.00 N ATOM 1033 CA ASP A 65 8.221 5.469 16.438 1.00 0.00 C ATOM 1034 C ASP A 65 7.584 4.104 16.708 1.00 0.00 C ATOM 1035 O ASP A 65 8.288 3.114 16.898 1.00 0.00 O ATOM 1036 CB ASP A 65 7.716 6.445 17.502 1.00 0.00 C ATOM 1037 CG ASP A 65 8.739 6.814 18.579 1.00 0.00 C ATOM 1038 OD1 ASP A 65 9.917 6.996 18.204 1.00 0.00 O ATOM 1039 OD2 ASP A 65 8.319 6.906 19.752 1.00 0.00 O ATOM 0 H ASP A 65 6.976 6.427 15.052 1.00 0.00 H new ATOM 0 HA ASP A 65 9.308 5.412 16.488 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.386 7.359 17.008 1.00 0.00 H new ATOM 0 HB3 ASP A 65 6.842 6.010 17.986 1.00 0.00 H new ATOM 1044 N LYS A 66 6.259 4.097 16.716 1.00 0.00 N ATOM 1045 CA LYS A 66 5.520 2.870 16.960 1.00 0.00 C ATOM 1046 C LYS A 66 5.257 2.165 15.628 1.00 0.00 C ATOM 1047 O LYS A 66 5.367 0.943 15.536 1.00 0.00 O ATOM 1048 CB LYS A 66 4.250 3.160 17.762 1.00 0.00 C ATOM 1049 CG LYS A 66 3.256 3.982 16.939 1.00 0.00 C ATOM 1050 CD LYS A 66 1.949 4.191 17.706 1.00 0.00 C ATOM 1051 CE LYS A 66 2.076 5.348 18.700 1.00 0.00 C ATOM 1052 NZ LYS A 66 0.974 5.305 19.687 1.00 0.00 N ATOM 0 H LYS A 66 5.679 4.921 16.558 1.00 0.00 H new ATOM 0 HA LYS A 66 6.108 2.187 17.573 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.786 2.222 18.067 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.507 3.700 18.673 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.695 4.949 16.692 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.051 3.474 15.996 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.140 4.396 17.005 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.685 3.277 18.238 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.035 5.290 19.214 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.057 6.298 18.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.074 6.096 20.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.062 5.382 19.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.010 4.406 20.208 1.00 0.00 H new ATOM 1066 N LYS A 67 4.916 2.965 14.628 1.00 0.00 N ATOM 1067 CA LYS A 67 4.637 2.432 13.305 1.00 0.00 C ATOM 1068 C LYS A 67 5.911 1.811 12.731 1.00 0.00 C ATOM 1069 O LYS A 67 5.858 0.775 12.070 1.00 0.00 O ATOM 1070 CB LYS A 67 4.023 3.512 12.412 1.00 0.00 C ATOM 1071 CG LYS A 67 2.544 3.226 12.143 1.00 0.00 C ATOM 1072 CD LYS A 67 1.737 4.524 12.074 1.00 0.00 C ATOM 1073 CE LYS A 67 0.651 4.553 13.151 1.00 0.00 C ATOM 1074 NZ LYS A 67 -0.615 5.082 12.596 1.00 0.00 N ATOM 0 H LYS A 67 4.827 3.978 14.707 1.00 0.00 H new ATOM 0 HA LYS A 67 3.893 1.637 13.363 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.128 4.486 12.889 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.565 3.560 11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.441 2.679 11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.145 2.587 12.931 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.403 5.377 12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.280 4.620 11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.492 3.548 13.542 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.976 5.173 13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.404 4.820 13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.558 6.118 12.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.774 4.680 11.650 1.00 0.00 H new ATOM 1088 N GLU A 68 7.028 2.470 13.004 1.00 0.00 N ATOM 1089 CA GLU A 68 8.314 1.995 12.523 1.00 0.00 C ATOM 1090 C GLU A 68 8.246 1.709 11.021 1.00 0.00 C ATOM 1091 O GLU A 68 7.213 1.926 10.391 1.00 0.00 O ATOM 1092 CB GLU A 68 8.765 0.755 13.297 1.00 0.00 C ATOM 1093 CG GLU A 68 9.222 1.126 14.710 1.00 0.00 C ATOM 1094 CD GLU A 68 10.644 0.629 14.974 1.00 0.00 C ATOM 1095 OE1 GLU A 68 11.488 0.815 14.071 1.00 0.00 O ATOM 1096 OE2 GLU A 68 10.856 0.073 16.074 1.00 0.00 O ATOM 0 H GLU A 68 7.069 3.329 13.552 1.00 0.00 H new ATOM 0 HA GLU A 68 9.054 2.777 12.691 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.945 0.039 13.352 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.580 0.266 12.764 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.182 2.208 14.837 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.540 0.694 15.442 1.00 0.00 H new ATOM 1103 N ARG A 69 9.361 1.227 10.492 1.00 0.00 N ATOM 1104 CA ARG A 69 9.441 0.909 9.077 1.00 0.00 C ATOM 1105 C ARG A 69 8.339 -0.079 8.691 1.00 0.00 C ATOM 1106 O ARG A 69 8.334 -1.219 9.153 1.00 0.00 O ATOM 1107 CB ARG A 69 10.803 0.308 8.724 1.00 0.00 C ATOM 1108 CG ARG A 69 11.383 0.962 7.468 1.00 0.00 C ATOM 1109 CD ARG A 69 12.863 1.299 7.659 1.00 0.00 C ATOM 1110 NE ARG A 69 13.433 1.813 6.394 1.00 0.00 N ATOM 1111 CZ ARG A 69 14.736 1.772 6.085 1.00 0.00 C ATOM 1112 NH1 ARG A 69 15.612 1.240 6.948 1.00 0.00 N ATOM 1113 NH2 ARG A 69 15.163 2.263 4.914 1.00 0.00 N ATOM 0 H ARG A 69 10.216 1.049 11.018 1.00 0.00 H new ATOM 0 HA ARG A 69 9.311 1.837 8.521 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.491 0.442 9.559 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.700 -0.765 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.266 0.291 6.617 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.826 1.870 7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.976 2.043 8.447 1.00 0.00 H new ATOM 0 HD3 ARG A 69 13.408 0.411 7.979 1.00 0.00 H new ATOM 0 HE ARG A 69 12.794 2.225 5.714 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.287 0.866 7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.604 1.208 6.713 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.496 2.668 4.257 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.155 2.232 4.679 1.00 0.00 H new ATOM 1127 N HIS A 70 7.432 0.394 7.849 1.00 0.00 N ATOM 1128 CA HIS A 70 6.327 -0.434 7.396 1.00 0.00 C ATOM 1129 C HIS A 70 5.835 0.066 6.037 1.00 0.00 C ATOM 1130 O HIS A 70 5.861 1.266 5.767 1.00 0.00 O ATOM 1131 CB HIS A 70 5.218 -0.482 8.448 1.00 0.00 C ATOM 1132 CG HIS A 70 4.361 0.761 8.494 1.00 0.00 C ATOM 1133 ND1 HIS A 70 3.081 0.770 9.022 1.00 0.00 N ATOM 1134 CD2 HIS A 70 4.613 2.034 8.074 1.00 0.00 C ATOM 1135 CE1 HIS A 70 2.595 1.998 8.917 1.00 0.00 C ATOM 1136 NE2 HIS A 70 3.545 2.780 8.330 1.00 0.00 N ATOM 0 H HIS A 70 7.440 1.340 7.468 1.00 0.00 H new ATOM 0 HA HIS A 70 6.667 -1.461 7.264 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.580 -1.343 8.250 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.668 -0.637 9.429 1.00 0.00 H new ATOM 0 HD1 HIS A 70 2.595 -0.032 9.423 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.527 2.377 7.611 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.617 2.323 9.240 1.00 0.00 H new ATOM 1144 N ILE A 71 5.397 -0.878 5.218 1.00 0.00 N ATOM 1145 CA ILE A 71 4.899 -0.549 3.893 1.00 0.00 C ATOM 1146 C ILE A 71 3.644 0.317 4.026 1.00 0.00 C ATOM 1147 O ILE A 71 2.717 -0.035 4.754 1.00 0.00 O ATOM 1148 CB ILE A 71 4.685 -1.820 3.070 1.00 0.00 C ATOM 1149 CG1 ILE A 71 6.021 -2.409 2.613 1.00 0.00 C ATOM 1150 CG2 ILE A 71 3.742 -1.559 1.893 1.00 0.00 C ATOM 1151 CD1 ILE A 71 5.846 -3.845 2.116 1.00 0.00 C ATOM 0 H ILE A 71 5.376 -1.872 5.446 1.00 0.00 H new ATOM 0 HA ILE A 71 5.635 0.038 3.344 1.00 0.00 H new ATOM 0 HB ILE A 71 4.207 -2.563 3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.441 -1.794 1.817 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.732 -2.390 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.607 -2.479 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.777 -1.219 2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.170 -0.793 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.811 -4.240 1.797 1.00 0.00 H new ATOM 0 HD12 ILE A 71 5.449 -4.463 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.153 -3.857 1.275 1.00 0.00 H new ATOM 1163 N VAL A 72 3.655 1.432 3.310 1.00 0.00 N ATOM 1164 CA VAL A 72 2.530 2.350 3.339 1.00 0.00 C ATOM 1165 C VAL A 72 2.127 2.701 1.905 1.00 0.00 C ATOM 1166 O VAL A 72 2.973 2.755 1.014 1.00 0.00 O ATOM 1167 CB VAL A 72 2.879 3.580 4.179 1.00 0.00 C ATOM 1168 CG1 VAL A 72 2.117 4.813 3.690 1.00 0.00 C ATOM 1169 CG2 VAL A 72 2.611 3.324 5.664 1.00 0.00 C ATOM 0 H VAL A 72 4.425 1.720 2.707 1.00 0.00 H new ATOM 0 HA VAL A 72 1.668 1.882 3.815 1.00 0.00 H new ATOM 0 HB VAL A 72 3.945 3.775 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.384 5.673 4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 72 2.379 5.014 2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.045 4.632 3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.867 4.214 6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.556 3.090 5.808 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.218 2.485 6.004 1.00 0.00 H new ATOM 1179 N ILE A 73 0.834 2.930 1.727 1.00 0.00 N ATOM 1180 CA ILE A 73 0.308 3.274 0.417 1.00 0.00 C ATOM 1181 C ILE A 73 -0.288 4.682 0.465 1.00 0.00 C ATOM 1182 O ILE A 73 -0.750 5.129 1.514 1.00 0.00 O ATOM 1183 CB ILE A 73 -0.676 2.205 -0.063 1.00 0.00 C ATOM 1184 CG1 ILE A 73 0.010 0.843 -0.185 1.00 0.00 C ATOM 1185 CG2 ILE A 73 -1.348 2.627 -1.371 1.00 0.00 C ATOM 1186 CD1 ILE A 73 0.130 0.166 1.182 1.00 0.00 C ATOM 0 H ILE A 73 0.135 2.884 2.468 1.00 0.00 H new ATOM 0 HA ILE A 73 1.109 3.292 -0.322 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.462 2.104 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.558 0.205 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.001 0.969 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.042 1.850 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.892 3.559 -1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.589 2.773 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.621 -0.800 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.719 0.795 1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.864 0.020 1.604 1.00 0.00 H new ATOM 1198 N SER A 74 -0.260 5.342 -0.684 1.00 0.00 N ATOM 1199 CA SER A 74 -0.792 6.690 -0.786 1.00 0.00 C ATOM 1200 C SER A 74 -1.610 6.834 -2.071 1.00 0.00 C ATOM 1201 O SER A 74 -1.443 6.054 -3.008 1.00 0.00 O ATOM 1202 CB SER A 74 0.331 7.729 -0.753 1.00 0.00 C ATOM 1203 OG SER A 74 0.031 8.865 -1.560 1.00 0.00 O ATOM 0 H SER A 74 0.123 4.968 -1.552 1.00 0.00 H new ATOM 0 HA SER A 74 -1.440 6.868 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.499 8.049 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.258 7.272 -1.100 1.00 0.00 H new ATOM 0 HG SER A 74 0.771 9.506 -1.511 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.477 7.836 -2.074 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.321 8.091 -3.228 1.00 0.00 C ATOM 1211 C LYS A 75 -2.509 8.825 -4.297 1.00 0.00 C ATOM 1212 O LYS A 75 -1.914 9.866 -4.024 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.593 8.831 -2.808 1.00 0.00 C ATOM 1214 CG LYS A 75 -5.828 7.944 -2.988 1.00 0.00 C ATOM 1215 CD LYS A 75 -6.358 7.462 -1.636 1.00 0.00 C ATOM 1216 CE LYS A 75 -7.497 6.457 -1.821 1.00 0.00 C ATOM 1217 NZ LYS A 75 -8.755 7.157 -2.162 1.00 0.00 N ATOM 0 H LYS A 75 -2.613 8.481 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.656 7.152 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.511 9.140 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.703 9.739 -3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.606 8.500 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.576 7.086 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.550 7.001 -1.068 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.711 8.314 -1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.242 5.750 -2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.632 5.879 -0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.560 6.648 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.726 8.126 -1.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.865 7.189 -3.196 1.00 0.00 H new ATOM 1231 N VAL A 76 -2.508 8.251 -5.491 1.00 0.00 N ATOM 1232 CA VAL A 76 -1.778 8.837 -6.603 1.00 0.00 C ATOM 1233 C VAL A 76 -2.736 9.063 -7.774 1.00 0.00 C ATOM 1234 O VAL A 76 -3.825 8.493 -7.809 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.584 7.953 -6.969 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.167 8.519 -8.175 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.353 7.775 -5.773 1.00 0.00 C ATOM 0 H VAL A 76 -3.001 7.386 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.372 9.809 -6.323 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.966 6.970 -7.244 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.011 7.872 -8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.506 8.570 -9.031 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.532 9.519 -7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.193 7.143 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.724 8.749 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -0.190 7.307 -4.952 1.00 0.00 H new ATOM 1247 N ASP A 77 -2.295 9.897 -8.705 1.00 0.00 N ATOM 1248 CA ASP A 77 -3.100 10.205 -9.875 1.00 0.00 C ATOM 1249 C ASP A 77 -2.206 10.209 -11.117 1.00 0.00 C ATOM 1250 O ASP A 77 -1.001 10.433 -11.018 1.00 0.00 O ATOM 1251 CB ASP A 77 -3.743 11.588 -9.752 1.00 0.00 C ATOM 1252 CG ASP A 77 -4.228 12.195 -11.070 1.00 0.00 C ATOM 1253 OD1 ASP A 77 -5.193 11.634 -11.632 1.00 0.00 O ATOM 1254 OD2 ASP A 77 -3.623 13.207 -11.485 1.00 0.00 O ATOM 0 H ASP A 77 -1.391 10.369 -8.673 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.881 9.449 -9.955 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.589 11.519 -9.068 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.022 12.269 -9.300 1.00 0.00 H new ATOM 1259 N GLU A 78 -2.832 9.957 -12.257 1.00 0.00 N ATOM 1260 CA GLU A 78 -2.108 9.928 -13.517 1.00 0.00 C ATOM 1261 C GLU A 78 -1.530 11.310 -13.829 1.00 0.00 C ATOM 1262 O GLU A 78 -0.313 11.481 -13.880 1.00 0.00 O ATOM 1263 CB GLU A 78 -3.007 9.440 -14.655 1.00 0.00 C ATOM 1264 CG GLU A 78 -2.503 8.111 -15.220 1.00 0.00 C ATOM 1265 CD GLU A 78 -3.404 7.621 -16.356 1.00 0.00 C ATOM 1266 OE1 GLU A 78 -4.637 7.663 -16.160 1.00 0.00 O ATOM 1267 OE2 GLU A 78 -2.838 7.216 -17.394 1.00 0.00 O ATOM 0 H GLU A 78 -3.832 9.771 -12.335 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.282 9.223 -13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.028 9.321 -14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.036 10.188 -15.447 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.483 8.231 -15.586 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -2.472 7.363 -14.428 1.00 0.00 H new ATOM 1274 N GLU A 79 -2.431 12.261 -14.030 1.00 0.00 N ATOM 1275 CA GLU A 79 -2.026 13.623 -14.336 1.00 0.00 C ATOM 1276 C GLU A 79 -0.863 14.045 -13.435 1.00 0.00 C ATOM 1277 O GLU A 79 0.218 14.371 -13.923 1.00 0.00 O ATOM 1278 CB GLU A 79 -3.204 14.589 -14.200 1.00 0.00 C ATOM 1279 CG GLU A 79 -3.899 14.799 -15.546 1.00 0.00 C ATOM 1280 CD GLU A 79 -3.793 16.258 -15.996 1.00 0.00 C ATOM 1281 OE1 GLU A 79 -2.781 16.575 -16.658 1.00 0.00 O ATOM 1282 OE2 GLU A 79 -4.726 17.022 -15.668 1.00 0.00 O ATOM 0 H GLU A 79 -3.440 12.115 -13.987 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.689 13.658 -15.372 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.918 14.198 -13.475 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.852 15.546 -13.815 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.449 14.149 -16.297 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.948 14.515 -15.466 1.00 0.00 H new ATOM 1289 N GLU A 80 -1.125 14.027 -12.137 1.00 0.00 N ATOM 1290 CA GLU A 80 -0.114 14.404 -11.164 1.00 0.00 C ATOM 1291 C GLU A 80 1.236 13.787 -11.535 1.00 0.00 C ATOM 1292 O GLU A 80 2.179 14.503 -11.870 1.00 0.00 O ATOM 1293 CB GLU A 80 -0.534 13.996 -9.750 1.00 0.00 C ATOM 1294 CG GLU A 80 -0.206 15.098 -8.741 1.00 0.00 C ATOM 1295 CD GLU A 80 -1.483 15.666 -8.117 1.00 0.00 C ATOM 1296 OE1 GLU A 80 -2.127 16.494 -8.796 1.00 0.00 O ATOM 1297 OE2 GLU A 80 -1.785 15.259 -6.974 1.00 0.00 O ATOM 0 H GLU A 80 -2.023 13.757 -11.736 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.011 15.489 -11.178 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.604 13.787 -9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.024 13.075 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.440 14.699 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.348 15.896 -9.235 1.00 0.00 H new ATOM 1304 N ARG A 81 1.287 12.465 -11.462 1.00 0.00 N ATOM 1305 CA ARG A 81 2.505 11.744 -11.786 1.00 0.00 C ATOM 1306 C ARG A 81 2.954 12.073 -13.211 1.00 0.00 C ATOM 1307 O ARG A 81 2.144 12.478 -14.043 1.00 0.00 O ATOM 1308 CB ARG A 81 2.301 10.233 -11.659 1.00 0.00 C ATOM 1309 CG ARG A 81 3.056 9.677 -10.450 1.00 0.00 C ATOM 1310 CD ARG A 81 3.238 8.162 -10.566 1.00 0.00 C ATOM 1311 NE ARG A 81 4.604 7.782 -10.143 1.00 0.00 N ATOM 1312 CZ ARG A 81 5.721 8.166 -10.777 1.00 0.00 C ATOM 1313 NH1 ARG A 81 5.640 8.943 -11.866 1.00 0.00 N ATOM 1314 NH2 ARG A 81 6.919 7.774 -10.323 1.00 0.00 N ATOM 0 H ARG A 81 0.503 11.875 -11.183 1.00 0.00 H new ATOM 0 HA ARG A 81 3.273 12.056 -11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.238 10.013 -11.561 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.646 9.738 -12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 81 4.031 10.159 -10.372 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.510 9.912 -9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.501 7.651 -9.947 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.065 7.844 -11.594 1.00 0.00 H new ATOM 0 HE ARG A 81 4.702 7.191 -9.317 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.728 9.242 -12.212 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.490 9.235 -12.348 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.982 7.183 -9.494 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.768 8.067 -10.806 1.00 0.00 H new ATOM 1328 N SER A 82 4.244 11.888 -13.449 1.00 0.00 N ATOM 1329 CA SER A 82 4.811 12.160 -14.759 1.00 0.00 C ATOM 1330 C SER A 82 4.732 10.907 -15.634 1.00 0.00 C ATOM 1331 O SER A 82 4.293 10.974 -16.782 1.00 0.00 O ATOM 1332 CB SER A 82 6.260 12.637 -14.645 1.00 0.00 C ATOM 1333 OG SER A 82 6.344 13.979 -14.172 1.00 0.00 O ATOM 0 H SER A 82 4.913 11.553 -12.756 1.00 0.00 H new ATOM 0 HA SER A 82 4.231 12.957 -15.223 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.806 11.979 -13.969 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.743 12.565 -15.619 1.00 0.00 H new ATOM 0 HG SER A 82 7.285 14.246 -14.111 1.00 0.00 H new ATOM 1339 N GLY A 83 5.163 9.795 -15.059 1.00 0.00 N ATOM 1340 CA GLY A 83 5.147 8.529 -15.772 1.00 0.00 C ATOM 1341 C GLY A 83 6.569 8.042 -16.057 1.00 0.00 C ATOM 1342 O GLY A 83 7.508 8.836 -16.085 1.00 0.00 O ATOM 0 H GLY A 83 5.526 9.744 -14.107 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.614 7.782 -15.183 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.603 8.643 -16.710 1.00 0.00 H new ATOM 1346 N PRO A 84 6.687 6.703 -16.265 1.00 0.00 N ATOM 1347 CA PRO A 84 7.979 6.100 -16.547 1.00 0.00 C ATOM 1348 C PRO A 84 8.422 6.398 -17.981 1.00 0.00 C ATOM 1349 O PRO A 84 7.589 6.618 -18.859 1.00 0.00 O ATOM 1350 CB PRO A 84 7.787 4.616 -16.281 1.00 0.00 C ATOM 1351 CG PRO A 84 6.286 4.378 -16.311 1.00 0.00 C ATOM 1352 CD PRO A 84 5.598 5.731 -16.239 1.00 0.00 C ATOM 0 HA PRO A 84 8.776 6.503 -15.923 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.293 4.015 -17.037 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.208 4.335 -15.316 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.001 3.853 -17.223 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.982 3.750 -15.473 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.919 5.875 -17.079 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.005 5.826 -15.330 1.00 0.00 H new ATOM 1360 N SER A 85 9.733 6.395 -18.173 1.00 0.00 N ATOM 1361 CA SER A 85 10.297 6.662 -19.486 1.00 0.00 C ATOM 1362 C SER A 85 10.142 5.432 -20.382 1.00 0.00 C ATOM 1363 O SER A 85 9.580 5.521 -21.472 1.00 0.00 O ATOM 1364 CB SER A 85 11.771 7.060 -19.381 1.00 0.00 C ATOM 1365 OG SER A 85 12.083 8.174 -20.213 1.00 0.00 O ATOM 0 H SER A 85 10.421 6.212 -17.442 1.00 0.00 H new ATOM 0 HA SER A 85 9.754 7.497 -19.929 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.008 7.303 -18.345 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.396 6.212 -19.661 1.00 0.00 H new ATOM 0 HG SER A 85 13.032 8.399 -20.117 1.00 0.00 H new ATOM 1371 N SER A 86 10.651 4.312 -19.889 1.00 0.00 N ATOM 1372 CA SER A 86 10.577 3.066 -20.632 1.00 0.00 C ATOM 1373 C SER A 86 9.158 2.498 -20.561 1.00 0.00 C ATOM 1374 O SER A 86 8.536 2.241 -21.591 1.00 0.00 O ATOM 1375 CB SER A 86 11.584 2.045 -20.098 1.00 0.00 C ATOM 1376 OG SER A 86 11.538 0.820 -20.824 1.00 0.00 O ATOM 0 H SER A 86 11.116 4.242 -18.984 1.00 0.00 H new ATOM 0 HA SER A 86 10.828 3.273 -21.672 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.589 2.463 -20.155 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.379 1.850 -19.045 1.00 0.00 H new ATOM 0 HG SER A 86 12.196 0.195 -20.454 1.00 0.00 H new ATOM 1382 N GLY A 87 8.687 2.319 -19.335 1.00 0.00 N ATOM 1383 CA GLY A 87 7.353 1.787 -19.116 1.00 0.00 C ATOM 1384 C GLY A 87 7.408 0.303 -18.748 1.00 0.00 C ATOM 1385 O GLY A 87 6.994 -0.550 -19.531 1.00 0.00 O ATOM 0 H GLY A 87 9.206 2.533 -18.483 1.00 0.00 H new ATOM 0 HA2 GLY A 87 6.861 2.345 -18.319 1.00 0.00 H new ATOM 0 HA3 GLY A 87 6.752 1.920 -20.016 1.00 0.00 H new TER 1389 GLY A 87