USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 560 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 NoAdj : A 60 ASNHD21 : A 60 ASN OD1 : A 77 CECE :(metal ligand) USER MOD NoAdj : A 60 ASNHD22 : A 60 ASN OD1 : A 77 CECE :(metal ligand) USER MOD Set 1.1: A 36 MET CE :methyl -176:sc= -1.71 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.71 K(o=-3.4,f=-4.4) USER MOD Set 2.1: A 28 THR OG1 : rot -134:sc= 0.2! USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 137:sc=-0.00431 (180deg=-0.605) USER MOD Single : A 3 GLN : amide:sc= -0.166 K(o=-0.17,f=-0.84) USER MOD Single : A 5 THR OG1 : rot -62:sc= 0.0248! USER MOD Single : A 8 GLN : amide:sc= -3.02! K(o=-3!,f=-2.5) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -160:sc= -0.581 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 60:sc= -1.07 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc=-0.00314 USER MOD Single : A 42 ASN : amide:sc= -0.0081 K(o=-0.0081,f=-1.2) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 49 GLN : amide:sc= -0.0424 X(o=-0.042,f=-0.47) USER MOD Single : A 51 MET CE :methyl 157:sc= -0.333 (180deg=-1.35) USER MOD Single : A 53 ASN : amide:sc= -0.194 K(o=-0.19,f=-1) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -23.472 -27.260 -2.790 1.00 0.00 N ATOM 2 CA MET A 0 -23.023 -25.963 -2.312 1.00 0.00 C ATOM 3 C MET A 0 -21.495 -25.890 -2.281 1.00 0.00 C ATOM 4 O MET A 0 -20.828 -26.880 -1.981 1.00 0.00 O ATOM 5 CB MET A 0 -23.574 -25.718 -0.906 1.00 0.00 C ATOM 6 CG MET A 0 -23.168 -26.844 0.046 1.00 0.00 C ATOM 7 SD MET A 0 -24.611 -27.766 0.552 1.00 0.00 S ATOM 8 CE MET A 0 -24.079 -28.313 2.166 1.00 0.00 C ATOM 0 H1 MET A 0 -24.263 -27.592 -2.202 1.00 0.00 H new ATOM 0 H2 MET A 0 -23.786 -27.176 -3.778 1.00 0.00 H new ATOM 0 H3 MET A 0 -22.688 -27.941 -2.733 1.00 0.00 H new ATOM 0 HA MET A 0 -23.392 -25.197 -2.995 1.00 0.00 H new ATOM 0 HB2 MET A 0 -23.203 -24.765 -0.527 1.00 0.00 H new ATOM 0 HB3 MET A 0 -24.661 -25.644 -0.945 1.00 0.00 H new ATOM 0 HG2 MET A 0 -22.456 -27.507 -0.445 1.00 0.00 H new ATOM 0 HG3 MET A 0 -22.666 -26.429 0.920 1.00 0.00 H new ATOM 0 HE1 MET A 0 -24.868 -28.908 2.627 1.00 0.00 H new ATOM 0 HE2 MET A 0 -23.179 -28.919 2.066 1.00 0.00 H new ATOM 0 HE3 MET A 0 -23.865 -27.446 2.792 1.00 0.00 H new ATOM 18 N ALA A 1 -20.984 -24.709 -2.596 1.00 0.00 N ATOM 19 CA ALA A 1 -19.547 -24.494 -2.608 1.00 0.00 C ATOM 20 C ALA A 1 -19.251 -23.082 -3.118 1.00 0.00 C ATOM 21 O ALA A 1 -19.138 -22.865 -4.323 1.00 0.00 O ATOM 22 CB ALA A 1 -18.876 -25.574 -3.459 1.00 0.00 C ATOM 0 H ALA A 1 -21.540 -23.891 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 1 -19.139 -24.573 -1.600 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.798 -25.413 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.092 -26.556 -3.038 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.259 -25.524 -4.478 1.00 0.00 H new ATOM 28 N ASP A 2 -19.134 -22.159 -2.174 1.00 0.00 N ATOM 29 CA ASP A 2 -18.853 -20.774 -2.513 1.00 0.00 C ATOM 30 C ASP A 2 -18.834 -19.935 -1.235 1.00 0.00 C ATOM 31 O ASP A 2 -19.847 -19.823 -0.546 1.00 0.00 O ATOM 32 CB ASP A 2 -19.932 -20.204 -3.437 1.00 0.00 C ATOM 33 CG ASP A 2 -19.405 -19.383 -4.616 1.00 0.00 C ATOM 34 OD1 ASP A 2 -18.403 -18.666 -4.405 1.00 0.00 O ATOM 35 OD2 ASP A 2 -20.017 -19.491 -5.701 1.00 0.00 O ATOM 0 H ASP A 2 -19.229 -22.343 -1.175 1.00 0.00 H new ATOM 0 HA ASP A 2 -17.889 -20.739 -3.020 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -20.529 -21.029 -3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -20.601 -19.577 -2.847 1.00 0.00 H new ATOM 40 N GLN A 3 -17.670 -19.366 -0.956 1.00 0.00 N ATOM 41 CA GLN A 3 -17.505 -18.540 0.228 1.00 0.00 C ATOM 42 C GLN A 3 -16.998 -17.150 -0.161 1.00 0.00 C ATOM 43 O GLN A 3 -15.793 -16.902 -0.160 1.00 0.00 O ATOM 44 CB GLN A 3 -16.563 -19.205 1.234 1.00 0.00 C ATOM 45 CG GLN A 3 -17.026 -20.626 1.562 1.00 0.00 C ATOM 46 CD GLN A 3 -17.209 -20.809 3.070 1.00 0.00 C ATOM 47 OE1 GLN A 3 -17.579 -19.898 3.792 1.00 0.00 O ATOM 48 NE2 GLN A 3 -16.928 -22.035 3.504 1.00 0.00 N ATOM 0 H GLN A 3 -16.832 -19.461 -1.530 1.00 0.00 H new ATOM 0 HA GLN A 3 -18.477 -18.430 0.708 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.552 -19.233 0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.523 -18.612 2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -17.966 -20.833 1.050 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -16.296 -21.345 1.191 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.623 -22.752 2.845 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -17.018 -22.258 4.495 1.00 0.00 H new ATOM 57 N LEU A 4 -17.943 -16.280 -0.484 1.00 0.00 N ATOM 58 CA LEU A 4 -17.608 -14.921 -0.874 1.00 0.00 C ATOM 59 C LEU A 4 -17.691 -14.008 0.351 1.00 0.00 C ATOM 60 O LEU A 4 -17.741 -14.485 1.483 1.00 0.00 O ATOM 61 CB LEU A 4 -18.486 -14.466 -2.041 1.00 0.00 C ATOM 62 CG LEU A 4 -19.996 -14.616 -1.842 1.00 0.00 C ATOM 63 CD1 LEU A 4 -20.711 -13.278 -2.042 1.00 0.00 C ATOM 64 CD2 LEU A 4 -20.562 -15.710 -2.750 1.00 0.00 C ATOM 0 H LEU A 4 -18.941 -16.490 -0.484 1.00 0.00 H new ATOM 0 HA LEU A 4 -16.582 -14.872 -1.240 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -18.269 -13.418 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.198 -15.031 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 4 -20.176 -14.926 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -21.783 -13.413 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -20.334 -12.553 -1.321 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -20.526 -12.914 -3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -21.637 -15.796 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -20.371 -15.453 -3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -20.083 -16.661 -2.517 1.00 0.00 H new ATOM 76 N THR A 5 -17.704 -12.710 0.082 1.00 0.00 N ATOM 77 CA THR A 5 -17.781 -11.726 1.148 1.00 0.00 C ATOM 78 C THR A 5 -16.498 -11.742 1.982 1.00 0.00 C ATOM 79 O THR A 5 -15.421 -12.033 1.465 1.00 0.00 O ATOM 80 CB THR A 5 -19.041 -12.013 1.967 1.00 0.00 C ATOM 81 OG1 THR A 5 -18.596 -12.896 2.992 1.00 0.00 O ATOM 82 CG2 THR A 5 -20.070 -12.835 1.188 1.00 0.00 C ATOM 0 H THR A 5 -17.662 -12.318 -0.859 1.00 0.00 H new ATOM 0 HA THR A 5 -17.859 -10.715 0.748 1.00 0.00 H new ATOM 0 HB THR A 5 -19.491 -11.072 2.282 1.00 0.00 H new ATOM 0 HG1 THR A 5 -18.251 -13.719 2.588 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.945 -13.011 1.814 1.00 0.00 H new ATOM 0 HG22 THR A 5 -20.369 -12.290 0.292 1.00 0.00 H new ATOM 0 HG23 THR A 5 -19.631 -13.791 0.902 1.00 0.00 H new ATOM 90 N GLU A 6 -16.657 -11.426 3.259 1.00 0.00 N ATOM 91 CA GLU A 6 -15.524 -11.401 4.169 1.00 0.00 C ATOM 92 C GLU A 6 -14.514 -12.485 3.791 1.00 0.00 C ATOM 93 O GLU A 6 -13.352 -12.188 3.517 1.00 0.00 O ATOM 94 CB GLU A 6 -15.984 -11.562 5.620 1.00 0.00 C ATOM 95 CG GLU A 6 -16.505 -10.237 6.181 1.00 0.00 C ATOM 96 CD GLU A 6 -16.398 -10.208 7.707 1.00 0.00 C ATOM 97 OE1 GLU A 6 -15.287 -9.905 8.192 1.00 0.00 O ATOM 98 OE2 GLU A 6 -17.431 -10.489 8.353 1.00 0.00 O ATOM 0 H GLU A 6 -17.552 -11.185 3.685 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.034 -10.431 4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.768 -12.317 5.675 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -15.154 -11.918 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.936 -9.410 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.544 -10.095 5.883 1.00 0.00 H new ATOM 105 N GLU A 7 -14.993 -13.720 3.787 1.00 0.00 N ATOM 106 CA GLU A 7 -14.146 -14.851 3.446 1.00 0.00 C ATOM 107 C GLU A 7 -13.175 -14.468 2.328 1.00 0.00 C ATOM 108 O GLU A 7 -11.993 -14.804 2.385 1.00 0.00 O ATOM 109 CB GLU A 7 -14.987 -16.066 3.049 1.00 0.00 C ATOM 110 CG GLU A 7 -15.845 -16.546 4.222 1.00 0.00 C ATOM 111 CD GLU A 7 -15.273 -17.828 4.830 1.00 0.00 C ATOM 112 OE1 GLU A 7 -14.884 -18.709 4.034 1.00 0.00 O ATOM 113 OE2 GLU A 7 -15.239 -17.897 6.078 1.00 0.00 O ATOM 0 H GLU A 7 -15.957 -13.963 4.014 1.00 0.00 H new ATOM 0 HA GLU A 7 -13.566 -15.124 4.327 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.628 -15.809 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.333 -16.873 2.718 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.894 -15.768 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.865 -16.724 3.882 1.00 0.00 H new ATOM 120 N GLN A 8 -13.709 -13.769 1.336 1.00 0.00 N ATOM 121 CA GLN A 8 -12.903 -13.337 0.207 1.00 0.00 C ATOM 122 C GLN A 8 -11.820 -12.361 0.670 1.00 0.00 C ATOM 123 O GLN A 8 -10.637 -12.569 0.406 1.00 0.00 O ATOM 124 CB GLN A 8 -13.777 -12.711 -0.882 1.00 0.00 C ATOM 125 CG GLN A 8 -13.307 -13.136 -2.274 1.00 0.00 C ATOM 126 CD GLN A 8 -11.808 -12.886 -2.447 1.00 0.00 C ATOM 127 OE1 GLN A 8 -11.356 -11.767 -2.627 1.00 0.00 O ATOM 128 NE2 GLN A 8 -11.064 -13.987 -2.383 1.00 0.00 N ATOM 0 H GLN A 8 -14.690 -13.492 1.291 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.415 -14.212 -0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.815 -13.011 -0.737 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.745 -11.625 -0.799 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.523 -14.193 -2.427 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.861 -12.584 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.506 -14.893 -2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.051 -13.925 -2.487 1.00 0.00 H new ATOM 137 N ILE A 9 -12.264 -11.315 1.352 1.00 0.00 N ATOM 138 CA ILE A 9 -11.347 -10.306 1.854 1.00 0.00 C ATOM 139 C ILE A 9 -10.180 -10.992 2.566 1.00 0.00 C ATOM 140 O ILE A 9 -9.019 -10.675 2.310 1.00 0.00 O ATOM 141 CB ILE A 9 -12.091 -9.294 2.728 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.683 -7.862 2.377 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.889 -9.599 4.214 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.599 -7.280 1.298 1.00 0.00 C ATOM 0 H ILE A 9 -13.246 -11.145 1.568 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.924 -9.732 1.030 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.158 -9.385 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.725 -7.239 3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.650 -7.849 2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.428 -8.865 4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.268 -10.597 4.435 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.827 -9.553 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.287 -6.261 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.536 -7.892 0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.627 -7.272 1.659 1.00 0.00 H new ATOM 156 N ALA A 10 -10.528 -11.920 3.446 1.00 0.00 N ATOM 157 CA ALA A 10 -9.523 -12.654 4.196 1.00 0.00 C ATOM 158 C ALA A 10 -8.332 -12.956 3.285 1.00 0.00 C ATOM 159 O ALA A 10 -7.184 -12.920 3.726 1.00 0.00 O ATOM 160 CB ALA A 10 -10.148 -13.923 4.780 1.00 0.00 C ATOM 0 H ALA A 10 -11.492 -12.180 3.656 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.155 -12.058 5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.394 -14.474 5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.970 -13.652 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.526 -14.548 3.971 1.00 0.00 H new ATOM 166 N GLU A 11 -8.646 -13.249 2.032 1.00 0.00 N ATOM 167 CA GLU A 11 -7.616 -13.558 1.055 1.00 0.00 C ATOM 168 C GLU A 11 -6.779 -12.312 0.754 1.00 0.00 C ATOM 169 O GLU A 11 -5.553 -12.346 0.849 1.00 0.00 O ATOM 170 CB GLU A 11 -8.228 -14.129 -0.226 1.00 0.00 C ATOM 171 CG GLU A 11 -8.988 -15.425 0.061 1.00 0.00 C ATOM 172 CD GLU A 11 -9.627 -15.979 -1.214 1.00 0.00 C ATOM 173 OE1 GLU A 11 -8.904 -16.040 -2.231 1.00 0.00 O ATOM 174 OE2 GLU A 11 -10.825 -16.330 -1.142 1.00 0.00 O ATOM 0 H GLU A 11 -9.599 -13.279 1.671 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.960 -14.320 1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.904 -13.397 -0.668 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.441 -14.318 -0.956 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.307 -16.165 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.760 -15.241 0.808 1.00 0.00 H new ATOM 181 N PHE A 12 -7.475 -11.243 0.398 1.00 0.00 N ATOM 182 CA PHE A 12 -6.811 -9.989 0.083 1.00 0.00 C ATOM 183 C PHE A 12 -5.801 -9.615 1.170 1.00 0.00 C ATOM 184 O PHE A 12 -4.807 -8.944 0.895 1.00 0.00 O ATOM 185 CB PHE A 12 -7.896 -8.912 0.019 1.00 0.00 C ATOM 186 CG PHE A 12 -8.728 -8.942 -1.265 1.00 0.00 C ATOM 187 CD1 PHE A 12 -8.147 -9.292 -2.444 1.00 0.00 C ATOM 188 CD2 PHE A 12 -10.049 -8.620 -1.227 1.00 0.00 C ATOM 189 CE1 PHE A 12 -8.919 -9.320 -3.635 1.00 0.00 C ATOM 190 CE2 PHE A 12 -10.821 -8.648 -2.418 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.240 -8.997 -3.597 1.00 0.00 C ATOM 0 H PHE A 12 -8.492 -11.219 0.321 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.272 -10.080 -0.860 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.562 -9.030 0.874 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.427 -7.932 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.098 -9.549 -2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -10.511 -8.343 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -8.458 -9.598 -4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -11.870 -8.392 -2.388 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.827 -9.018 -4.503 1.00 0.00 H new ATOM 201 N LYS A 13 -6.091 -10.065 2.382 1.00 0.00 N ATOM 202 CA LYS A 13 -5.220 -9.786 3.511 1.00 0.00 C ATOM 203 C LYS A 13 -3.761 -9.895 3.065 1.00 0.00 C ATOM 204 O LYS A 13 -3.012 -8.923 3.137 1.00 0.00 O ATOM 205 CB LYS A 13 -5.571 -10.691 4.694 1.00 0.00 C ATOM 206 CG LYS A 13 -6.959 -10.360 5.246 1.00 0.00 C ATOM 207 CD LYS A 13 -7.150 -10.953 6.643 1.00 0.00 C ATOM 208 CE LYS A 13 -7.559 -9.873 7.646 1.00 0.00 C ATOM 209 NZ LYS A 13 -6.396 -9.457 8.462 1.00 0.00 N ATOM 0 H LYS A 13 -6.916 -10.621 2.607 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.369 -8.766 3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.540 -11.734 4.380 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.826 -10.573 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.090 -9.279 5.285 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.724 -10.750 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.912 -11.731 6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.225 -11.427 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.966 -9.012 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.349 -10.251 8.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.691 -8.723 9.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.025 -10.278 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.654 -9.077 7.840 1.00 0.00 H new ATOM 223 N GLU A 14 -3.402 -11.088 2.612 1.00 0.00 N ATOM 224 CA GLU A 14 -2.046 -11.337 2.154 1.00 0.00 C ATOM 225 C GLU A 14 -1.610 -10.249 1.169 1.00 0.00 C ATOM 226 O GLU A 14 -0.468 -9.795 1.206 1.00 0.00 O ATOM 227 CB GLU A 14 -1.926 -12.726 1.525 1.00 0.00 C ATOM 228 CG GLU A 14 -2.150 -13.822 2.568 1.00 0.00 C ATOM 229 CD GLU A 14 -1.294 -15.053 2.264 1.00 0.00 C ATOM 230 OE1 GLU A 14 -0.058 -14.880 2.194 1.00 0.00 O ATOM 231 OE2 GLU A 14 -1.894 -16.138 2.108 1.00 0.00 O ATOM 0 H GLU A 14 -4.027 -11.892 2.553 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.381 -11.307 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.655 -12.829 0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.939 -12.842 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.905 -13.441 3.559 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.203 -14.102 2.585 1.00 0.00 H new ATOM 238 N ALA A 15 -2.544 -9.864 0.311 1.00 0.00 N ATOM 239 CA ALA A 15 -2.271 -8.839 -0.681 1.00 0.00 C ATOM 240 C ALA A 15 -1.692 -7.605 0.012 1.00 0.00 C ATOM 241 O ALA A 15 -0.605 -7.146 -0.334 1.00 0.00 O ATOM 242 CB ALA A 15 -3.552 -8.525 -1.457 1.00 0.00 C ATOM 0 H ALA A 15 -3.490 -10.244 0.283 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.531 -9.190 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.347 -7.756 -2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.906 -9.427 -1.956 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.317 -8.168 -0.767 1.00 0.00 H new ATOM 248 N PHE A 16 -2.445 -7.102 0.980 1.00 0.00 N ATOM 249 CA PHE A 16 -2.020 -5.929 1.726 1.00 0.00 C ATOM 250 C PHE A 16 -0.620 -6.128 2.309 1.00 0.00 C ATOM 251 O PHE A 16 0.149 -5.174 2.425 1.00 0.00 O ATOM 252 CB PHE A 16 -3.016 -5.744 2.873 1.00 0.00 C ATOM 253 CG PHE A 16 -2.834 -4.438 3.649 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.330 -3.275 3.148 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.178 -4.440 4.840 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.162 -2.063 3.869 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.009 -3.228 5.560 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.505 -2.065 5.060 1.00 0.00 C ATOM 0 H PHE A 16 -3.346 -7.485 1.265 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.990 -5.060 1.069 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.028 -5.778 2.471 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.919 -6.582 3.564 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.851 -3.273 2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.785 -5.364 5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.556 -1.139 3.471 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -1.486 -3.230 6.505 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.377 -1.143 5.608 1.00 0.00 H new ATOM 268 N SER A 17 -0.330 -7.372 2.659 1.00 0.00 N ATOM 269 CA SER A 17 0.964 -7.708 3.227 1.00 0.00 C ATOM 270 C SER A 17 2.080 -7.302 2.262 1.00 0.00 C ATOM 271 O SER A 17 3.025 -6.618 2.652 1.00 0.00 O ATOM 272 CB SER A 17 1.055 -9.201 3.547 1.00 0.00 C ATOM 273 OG SER A 17 -0.147 -9.697 4.130 1.00 0.00 O ATOM 0 H SER A 17 -0.970 -8.160 2.560 1.00 0.00 H new ATOM 0 HA SER A 17 1.081 -7.157 4.160 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.270 -9.755 2.633 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.887 -9.375 4.229 1.00 0.00 H new ATOM 0 HG SER A 17 0.040 -10.535 4.602 1.00 0.00 H new ATOM 279 N LEU A 18 1.934 -7.742 1.021 1.00 0.00 N ATOM 280 CA LEU A 18 2.918 -7.433 -0.003 1.00 0.00 C ATOM 281 C LEU A 18 3.419 -6.001 0.193 1.00 0.00 C ATOM 282 O LEU A 18 4.614 -5.778 0.383 1.00 0.00 O ATOM 283 CB LEU A 18 2.343 -7.698 -1.396 1.00 0.00 C ATOM 284 CG LEU A 18 2.900 -8.919 -2.130 1.00 0.00 C ATOM 285 CD1 LEU A 18 2.001 -10.140 -1.927 1.00 0.00 C ATOM 286 CD2 LEU A 18 3.124 -8.613 -3.613 1.00 0.00 C ATOM 0 H LEU A 18 1.149 -8.310 0.701 1.00 0.00 H new ATOM 0 HA LEU A 18 3.783 -8.089 0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.263 -7.815 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.518 -6.817 -2.013 1.00 0.00 H new ATOM 0 HG LEU A 18 3.872 -9.160 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.421 -10.993 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.937 -10.372 -0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.004 -9.926 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.520 -9.498 -4.111 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.177 -8.331 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.834 -7.792 -3.712 1.00 0.00 H new ATOM 298 N PHE A 19 2.481 -5.067 0.140 1.00 0.00 N ATOM 299 CA PHE A 19 2.812 -3.663 0.309 1.00 0.00 C ATOM 300 C PHE A 19 3.276 -3.377 1.739 1.00 0.00 C ATOM 301 O PHE A 19 4.281 -2.699 1.946 1.00 0.00 O ATOM 302 CB PHE A 19 1.537 -2.865 0.029 1.00 0.00 C ATOM 303 CG PHE A 19 1.178 -2.766 -1.454 1.00 0.00 C ATOM 304 CD1 PHE A 19 0.429 -3.739 -2.039 1.00 0.00 C ATOM 305 CD2 PHE A 19 1.606 -1.704 -2.188 1.00 0.00 C ATOM 306 CE1 PHE A 19 0.096 -3.647 -3.417 1.00 0.00 C ATOM 307 CE2 PHE A 19 1.273 -1.612 -3.566 1.00 0.00 C ATOM 308 CZ PHE A 19 0.524 -2.585 -4.151 1.00 0.00 C ATOM 0 H PHE A 19 1.491 -5.256 -0.018 1.00 0.00 H new ATOM 0 HA PHE A 19 3.620 -3.388 -0.368 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.707 -3.327 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.655 -1.859 0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.087 -4.581 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.199 -0.930 -1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.497 -4.421 -3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.615 -0.770 -4.149 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.269 -2.514 -5.198 1.00 0.00 H new ATOM 318 N ASP A 20 2.520 -3.908 2.689 1.00 0.00 N ATOM 319 CA ASP A 20 2.841 -3.719 4.093 1.00 0.00 C ATOM 320 C ASP A 20 3.956 -4.687 4.492 1.00 0.00 C ATOM 321 O ASP A 20 3.690 -5.836 4.840 1.00 0.00 O ATOM 322 CB ASP A 20 1.626 -4.006 4.979 1.00 0.00 C ATOM 323 CG ASP A 20 1.937 -4.176 6.467 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.833 -3.448 6.947 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.272 -5.031 7.091 1.00 0.00 O ATOM 0 H ASP A 20 1.686 -4.469 2.514 1.00 0.00 H new ATOM 0 HA ASP A 20 3.152 -2.684 4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.910 -3.192 4.863 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.139 -4.912 4.619 1.00 0.00 H new ATOM 330 N LYS A 21 5.181 -4.186 4.430 1.00 0.00 N ATOM 331 CA LYS A 21 6.338 -4.992 4.780 1.00 0.00 C ATOM 332 C LYS A 21 6.609 -4.862 6.280 1.00 0.00 C ATOM 333 O LYS A 21 7.641 -5.318 6.770 1.00 0.00 O ATOM 334 CB LYS A 21 7.536 -4.620 3.904 1.00 0.00 C ATOM 335 CG LYS A 21 7.902 -3.144 4.074 1.00 0.00 C ATOM 336 CD LYS A 21 9.412 -2.936 3.942 1.00 0.00 C ATOM 337 CE LYS A 21 9.898 -1.836 4.889 1.00 0.00 C ATOM 338 NZ LYS A 21 11.004 -1.071 4.270 1.00 0.00 N ATOM 0 H LYS A 21 5.397 -3.232 4.142 1.00 0.00 H new ATOM 0 HA LYS A 21 6.143 -6.046 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.391 -5.243 4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.304 -4.823 2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.382 -2.548 3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.567 -2.792 5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.932 -3.868 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.658 -2.671 2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.074 -1.165 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.234 -2.278 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.322 -0.329 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.796 -1.712 4.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.672 -0.634 3.387 1.00 0.00 H new ATOM 352 N ASP A 22 5.665 -4.237 6.968 1.00 0.00 N ATOM 353 CA ASP A 22 5.789 -4.041 8.402 1.00 0.00 C ATOM 354 C ASP A 22 4.841 -4.998 9.128 1.00 0.00 C ATOM 355 O ASP A 22 5.003 -5.252 10.320 1.00 0.00 O ATOM 356 CB ASP A 22 5.411 -2.612 8.798 1.00 0.00 C ATOM 357 CG ASP A 22 6.358 -1.526 8.282 1.00 0.00 C ATOM 358 OD1 ASP A 22 7.340 -1.904 7.606 1.00 0.00 O ATOM 359 OD2 ASP A 22 6.079 -0.344 8.574 1.00 0.00 O ATOM 0 H ASP A 22 4.810 -3.860 6.558 1.00 0.00 H new ATOM 0 HA ASP A 22 6.826 -4.230 8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.407 -2.402 8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.371 -2.551 9.886 1.00 0.00 H new ATOM 364 N GLY A 23 3.873 -5.503 8.377 1.00 0.00 N ATOM 365 CA GLY A 23 2.899 -6.426 8.934 1.00 0.00 C ATOM 366 C GLY A 23 2.170 -5.803 10.126 1.00 0.00 C ATOM 367 O GLY A 23 1.519 -6.505 10.897 1.00 0.00 O ATOM 0 H GLY A 23 3.743 -5.290 7.388 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.177 -6.704 8.167 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.399 -7.342 9.248 1.00 0.00 H new ATOM 371 N ASP A 24 2.304 -4.489 10.238 1.00 0.00 N ATOM 372 CA ASP A 24 1.666 -3.762 11.323 1.00 0.00 C ATOM 373 C ASP A 24 0.165 -3.656 11.047 1.00 0.00 C ATOM 374 O ASP A 24 -0.646 -3.744 11.967 1.00 0.00 O ATOM 375 CB ASP A 24 2.227 -2.344 11.440 1.00 0.00 C ATOM 376 CG ASP A 24 2.161 -1.514 10.156 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.828 -2.113 9.111 1.00 0.00 O ATOM 378 OD2 ASP A 24 2.445 -0.301 10.250 1.00 0.00 O ATOM 0 H ASP A 24 2.845 -3.910 9.596 1.00 0.00 H new ATOM 0 HA ASP A 24 1.857 -4.303 12.250 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.682 -1.817 12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.267 -2.406 11.761 1.00 0.00 H new ATOM 383 N GLY A 25 -0.158 -3.469 9.776 1.00 0.00 N ATOM 384 CA GLY A 25 -1.547 -3.350 9.367 1.00 0.00 C ATOM 385 C GLY A 25 -1.779 -2.058 8.580 1.00 0.00 C ATOM 386 O GLY A 25 -2.906 -1.758 8.190 1.00 0.00 O ATOM 0 H GLY A 25 0.518 -3.397 9.016 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.824 -4.208 8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.191 -3.365 10.246 1.00 0.00 H new ATOM 390 N THR A 26 -0.693 -1.328 8.371 1.00 0.00 N ATOM 391 CA THR A 26 -0.763 -0.075 7.639 1.00 0.00 C ATOM 392 C THR A 26 0.337 -0.016 6.578 1.00 0.00 C ATOM 393 O THR A 26 1.432 -0.536 6.784 1.00 0.00 O ATOM 394 CB THR A 26 -0.694 1.069 8.651 1.00 0.00 C ATOM 395 OG1 THR A 26 0.407 0.726 9.488 1.00 0.00 O ATOM 396 CG2 THR A 26 -1.893 1.084 9.601 1.00 0.00 C ATOM 0 H THR A 26 0.240 -1.581 8.696 1.00 0.00 H new ATOM 0 HA THR A 26 -1.702 0.012 7.093 1.00 0.00 H new ATOM 0 HB THR A 26 -0.639 2.020 8.120 1.00 0.00 H new ATOM 0 HG1 THR A 26 1.221 0.656 8.946 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.794 1.916 10.299 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.812 1.200 9.026 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.929 0.147 10.156 1.00 0.00 H new ATOM 404 N ILE A 27 0.008 0.624 5.465 1.00 0.00 N ATOM 405 CA ILE A 27 0.955 0.758 4.371 1.00 0.00 C ATOM 406 C ILE A 27 1.307 2.236 4.186 1.00 0.00 C ATOM 407 O ILE A 27 0.527 2.997 3.615 1.00 0.00 O ATOM 408 CB ILE A 27 0.410 0.093 3.106 1.00 0.00 C ATOM 409 CG1 ILE A 27 0.172 -1.402 3.331 1.00 0.00 C ATOM 410 CG2 ILE A 27 1.329 0.353 1.910 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.578 -2.022 2.151 1.00 0.00 C ATOM 0 H ILE A 27 -0.901 1.055 5.298 1.00 0.00 H new ATOM 0 HA ILE A 27 1.883 0.235 4.604 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.556 0.542 2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.127 -1.909 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.400 -1.549 4.247 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.918 -0.131 1.024 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.404 1.426 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.320 -0.051 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.734 -3.085 2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.543 -1.529 2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.008 -1.895 1.240 1.00 0.00 H new ATOM 423 N THR A 28 2.483 2.597 4.679 1.00 0.00 N ATOM 424 CA THR A 28 2.948 3.970 4.575 1.00 0.00 C ATOM 425 C THR A 28 3.428 4.264 3.153 1.00 0.00 C ATOM 426 O THR A 28 2.968 3.642 2.197 1.00 0.00 O ATOM 427 CB THR A 28 4.027 4.185 5.638 1.00 0.00 C ATOM 428 OG1 THR A 28 4.410 5.548 5.473 1.00 0.00 O ATOM 429 CG2 THR A 28 5.306 3.400 5.341 1.00 0.00 C ATOM 0 H THR A 28 3.127 1.963 5.151 1.00 0.00 H new ATOM 0 HA THR A 28 2.140 4.677 4.764 1.00 0.00 H new ATOM 0 HB THR A 28 3.639 3.891 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.388 5.616 5.479 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.039 3.588 6.126 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.079 2.335 5.304 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.713 3.717 4.381 1.00 0.00 H new ATOM 437 N THR A 29 4.348 5.212 3.058 1.00 0.00 N ATOM 438 CA THR A 29 4.896 5.597 1.768 1.00 0.00 C ATOM 439 C THR A 29 6.079 4.698 1.402 1.00 0.00 C ATOM 440 O THR A 29 6.175 4.221 0.273 1.00 0.00 O ATOM 441 CB THR A 29 5.258 7.082 1.832 1.00 0.00 C ATOM 442 OG1 THR A 29 5.793 7.253 3.141 1.00 0.00 O ATOM 443 CG2 THR A 29 4.024 7.986 1.811 1.00 0.00 C ATOM 0 H THR A 29 4.728 5.725 3.853 1.00 0.00 H new ATOM 0 HA THR A 29 4.165 5.460 0.971 1.00 0.00 H new ATOM 0 HB THR A 29 5.907 7.334 0.993 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.055 8.189 3.267 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.336 9.029 1.858 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.464 7.816 0.891 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.391 7.758 2.668 1.00 0.00 H new ATOM 451 N LYS A 30 6.951 4.495 2.379 1.00 0.00 N ATOM 452 CA LYS A 30 8.124 3.663 2.174 1.00 0.00 C ATOM 453 C LYS A 30 7.681 2.251 1.785 1.00 0.00 C ATOM 454 O LYS A 30 8.187 1.681 0.820 1.00 0.00 O ATOM 455 CB LYS A 30 9.033 3.704 3.405 1.00 0.00 C ATOM 456 CG LYS A 30 10.310 4.496 3.117 1.00 0.00 C ATOM 457 CD LYS A 30 10.923 5.036 4.410 1.00 0.00 C ATOM 458 CE LYS A 30 12.407 4.674 4.507 1.00 0.00 C ATOM 459 NZ LYS A 30 13.128 5.661 5.341 1.00 0.00 N ATOM 0 H LYS A 30 6.868 4.893 3.315 1.00 0.00 H new ATOM 0 HA LYS A 30 8.724 4.049 1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.500 4.158 4.240 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.291 2.688 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.031 3.857 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.085 5.323 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.806 6.119 4.447 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.389 4.628 5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.517 3.678 4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.846 4.642 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.133 5.400 5.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.038 6.606 4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.720 5.671 6.298 1.00 0.00 H new ATOM 473 N GLU A 31 6.740 1.727 2.557 1.00 0.00 N ATOM 474 CA GLU A 31 6.222 0.393 2.305 1.00 0.00 C ATOM 475 C GLU A 31 5.541 0.337 0.936 1.00 0.00 C ATOM 476 O GLU A 31 5.464 -0.724 0.320 1.00 0.00 O ATOM 477 CB GLU A 31 5.261 -0.041 3.414 1.00 0.00 C ATOM 478 CG GLU A 31 5.984 -0.141 4.758 1.00 0.00 C ATOM 479 CD GLU A 31 4.991 -0.373 5.899 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.401 -1.474 5.921 1.00 0.00 O ATOM 481 OE2 GLU A 31 4.846 0.556 6.722 1.00 0.00 O ATOM 0 H GLU A 31 6.323 2.202 3.357 1.00 0.00 H new ATOM 0 HA GLU A 31 7.059 -0.305 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.442 0.674 3.490 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.820 -1.005 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.705 -0.958 4.727 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.547 0.774 4.941 1.00 0.00 H new ATOM 488 N LEU A 32 5.065 1.494 0.500 1.00 0.00 N ATOM 489 CA LEU A 32 4.393 1.591 -0.784 1.00 0.00 C ATOM 490 C LEU A 32 5.437 1.747 -1.891 1.00 0.00 C ATOM 491 O LEU A 32 5.283 1.192 -2.978 1.00 0.00 O ATOM 492 CB LEU A 32 3.350 2.710 -0.760 1.00 0.00 C ATOM 493 CG LEU A 32 2.216 2.592 -1.781 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.924 2.117 -1.113 1.00 0.00 C ATOM 495 CD2 LEU A 32 2.020 3.908 -2.537 1.00 0.00 C ATOM 0 H LEU A 32 5.132 2.373 1.014 1.00 0.00 H new ATOM 0 HA LEU A 32 3.840 0.676 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.912 2.750 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.861 3.659 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 32 2.495 1.837 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.134 2.042 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.087 1.140 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.629 2.830 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.208 3.797 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.773 4.700 -1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.939 4.165 -3.064 1.00 0.00 H new ATOM 507 N GLY A 33 6.477 2.506 -1.577 1.00 0.00 N ATOM 508 CA GLY A 33 7.547 2.743 -2.531 1.00 0.00 C ATOM 509 C GLY A 33 8.521 1.563 -2.566 1.00 0.00 C ATOM 510 O GLY A 33 9.563 1.633 -3.216 1.00 0.00 O ATOM 0 H GLY A 33 6.601 2.965 -0.675 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.126 2.901 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.083 3.654 -2.263 1.00 0.00 H new ATOM 514 N THR A 34 8.148 0.507 -1.858 1.00 0.00 N ATOM 515 CA THR A 34 8.975 -0.685 -1.799 1.00 0.00 C ATOM 516 C THR A 34 8.561 -1.676 -2.889 1.00 0.00 C ATOM 517 O THR A 34 9.301 -1.898 -3.846 1.00 0.00 O ATOM 518 CB THR A 34 8.877 -1.261 -0.385 1.00 0.00 C ATOM 519 OG1 THR A 34 10.144 -0.969 0.197 1.00 0.00 O ATOM 520 CG2 THR A 34 8.806 -2.789 -0.379 1.00 0.00 C ATOM 0 H THR A 34 7.283 0.453 -1.320 1.00 0.00 H new ATOM 0 HA THR A 34 10.021 -0.450 -1.997 1.00 0.00 H new ATOM 0 HB THR A 34 7.996 -0.855 0.112 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.167 -1.307 1.117 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.738 -3.146 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.927 -3.115 -0.935 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.703 -3.197 -0.846 1.00 0.00 H new ATOM 528 N VAL A 35 7.378 -2.245 -2.707 1.00 0.00 N ATOM 529 CA VAL A 35 6.856 -3.207 -3.663 1.00 0.00 C ATOM 530 C VAL A 35 7.041 -2.663 -5.081 1.00 0.00 C ATOM 531 O VAL A 35 7.122 -3.431 -6.039 1.00 0.00 O ATOM 532 CB VAL A 35 5.398 -3.533 -3.334 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.640 -3.981 -4.585 1.00 0.00 C ATOM 534 CG2 VAL A 35 5.308 -4.590 -2.231 1.00 0.00 C ATOM 0 H VAL A 35 6.767 -2.058 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 35 7.408 -4.145 -3.600 1.00 0.00 H new ATOM 0 HB VAL A 35 4.927 -2.622 -2.965 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.606 -4.206 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.660 -3.184 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.113 -4.873 -4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.261 -4.803 -2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.804 -5.503 -2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.795 -4.218 -1.330 1.00 0.00 H new ATOM 544 N MET A 36 7.103 -1.343 -5.170 1.00 0.00 N ATOM 545 CA MET A 36 7.277 -0.687 -6.455 1.00 0.00 C ATOM 546 C MET A 36 8.573 -1.140 -7.131 1.00 0.00 C ATOM 547 O MET A 36 8.587 -1.419 -8.329 1.00 0.00 O ATOM 548 CB MET A 36 7.310 0.830 -6.254 1.00 0.00 C ATOM 549 CG MET A 36 5.941 1.354 -5.817 1.00 0.00 C ATOM 550 SD MET A 36 5.245 2.387 -7.096 1.00 0.00 S ATOM 551 CE MET A 36 3.908 1.340 -7.646 1.00 0.00 C ATOM 0 H MET A 36 7.036 -0.710 -4.373 1.00 0.00 H new ATOM 0 HA MET A 36 6.439 -0.960 -7.097 1.00 0.00 H new ATOM 0 HB2 MET A 36 8.058 1.085 -5.503 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.611 1.317 -7.182 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.272 0.519 -5.609 1.00 0.00 H new ATOM 0 HG3 MET A 36 6.038 1.922 -4.892 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.409 1.804 -8.496 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.305 0.369 -7.944 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.193 1.206 -6.834 1.00 0.00 H new ATOM 561 N ARG A 37 9.629 -1.200 -6.334 1.00 0.00 N ATOM 562 CA ARG A 37 10.926 -1.615 -6.840 1.00 0.00 C ATOM 563 C ARG A 37 10.965 -3.134 -7.020 1.00 0.00 C ATOM 564 O ARG A 37 11.976 -3.686 -7.452 1.00 0.00 O ATOM 565 CB ARG A 37 12.049 -1.193 -5.890 1.00 0.00 C ATOM 566 CG ARG A 37 12.204 -2.195 -4.744 1.00 0.00 C ATOM 567 CD ARG A 37 12.358 -1.475 -3.403 1.00 0.00 C ATOM 568 NE ARG A 37 11.803 -2.309 -2.314 1.00 0.00 N ATOM 569 CZ ARG A 37 12.505 -3.231 -1.641 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.794 -3.442 -1.940 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.919 -3.941 -0.667 1.00 0.00 N ATOM 0 H ARG A 37 9.613 -0.968 -5.341 1.00 0.00 H new ATOM 0 HA ARG A 37 11.077 -1.127 -7.803 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.987 -1.117 -6.441 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.836 -0.203 -5.486 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.335 -2.852 -4.710 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.074 -2.827 -4.924 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.411 -1.266 -3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.843 -0.515 -3.435 1.00 0.00 H new ATOM 0 HE ARG A 37 10.825 -2.174 -2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.241 -2.901 -2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.328 -4.144 -1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.938 -3.780 -0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.454 -4.643 -0.155 1.00 0.00 H new ATOM 585 N SER A 38 9.851 -3.766 -6.682 1.00 0.00 N ATOM 586 CA SER A 38 9.744 -5.210 -6.801 1.00 0.00 C ATOM 587 C SER A 38 9.099 -5.579 -8.139 1.00 0.00 C ATOM 588 O SER A 38 9.155 -6.732 -8.562 1.00 0.00 O ATOM 589 CB SER A 38 8.938 -5.801 -5.643 1.00 0.00 C ATOM 590 OG SER A 38 9.473 -5.428 -4.375 1.00 0.00 O ATOM 0 H SER A 38 9.014 -3.304 -6.326 1.00 0.00 H new ATOM 0 HA SER A 38 10.749 -5.631 -6.760 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.903 -5.465 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.927 -6.888 -5.726 1.00 0.00 H new ATOM 0 HG SER A 38 8.930 -5.824 -3.662 1.00 0.00 H new ATOM 596 N LEU A 39 8.502 -4.577 -8.767 1.00 0.00 N ATOM 597 CA LEU A 39 7.847 -4.781 -10.048 1.00 0.00 C ATOM 598 C LEU A 39 8.615 -4.026 -11.135 1.00 0.00 C ATOM 599 O LEU A 39 8.652 -4.456 -12.286 1.00 0.00 O ATOM 600 CB LEU A 39 6.368 -4.397 -9.961 1.00 0.00 C ATOM 601 CG LEU A 39 5.425 -5.141 -10.909 1.00 0.00 C ATOM 602 CD1 LEU A 39 4.534 -6.118 -10.141 1.00 0.00 C ATOM 603 CD2 LEU A 39 4.608 -4.159 -11.751 1.00 0.00 C ATOM 0 H LEU A 39 8.458 -3.622 -8.413 1.00 0.00 H new ATOM 0 HA LEU A 39 7.863 -5.836 -10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.029 -4.564 -8.939 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.278 -3.328 -10.156 1.00 0.00 H new ATOM 0 HG LEU A 39 6.029 -5.731 -11.598 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.874 -6.633 -10.838 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.156 -6.848 -9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.936 -5.570 -9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.946 -4.713 -12.416 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.014 -3.524 -11.094 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.282 -3.539 -12.343 1.00 0.00 H new ATOM 615 N GLY A 40 9.210 -2.913 -10.730 1.00 0.00 N ATOM 616 CA GLY A 40 9.975 -2.095 -11.655 1.00 0.00 C ATOM 617 C GLY A 40 9.571 -0.623 -11.548 1.00 0.00 C ATOM 618 O GLY A 40 9.405 0.054 -12.562 1.00 0.00 O ATOM 0 H GLY A 40 9.177 -2.559 -9.774 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.039 -2.200 -11.444 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.816 -2.446 -12.674 1.00 0.00 H new ATOM 622 N GLN A 41 9.423 -0.171 -10.311 1.00 0.00 N ATOM 623 CA GLN A 41 9.041 1.208 -10.059 1.00 0.00 C ATOM 624 C GLN A 41 9.928 1.813 -8.969 1.00 0.00 C ATOM 625 O GLN A 41 10.754 1.119 -8.379 1.00 0.00 O ATOM 626 CB GLN A 41 7.562 1.307 -9.680 1.00 0.00 C ATOM 627 CG GLN A 41 6.686 1.454 -10.926 1.00 0.00 C ATOM 628 CD GLN A 41 5.202 1.351 -10.568 1.00 0.00 C ATOM 629 OE1 GLN A 41 4.486 2.336 -10.489 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.782 0.107 -10.356 1.00 0.00 N ATOM 0 H GLN A 41 9.561 -0.735 -9.473 1.00 0.00 H new ATOM 0 HA GLN A 41 9.186 1.778 -10.977 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.265 0.417 -9.125 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.408 2.161 -9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.883 2.414 -11.402 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.944 0.681 -11.650 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.434 -0.673 -10.439 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.807 -0.067 -10.111 1.00 0.00 H new ATOM 639 N ASN A 42 9.726 3.102 -8.735 1.00 0.00 N ATOM 640 CA ASN A 42 10.497 3.809 -7.726 1.00 0.00 C ATOM 641 C ASN A 42 10.104 5.287 -7.733 1.00 0.00 C ATOM 642 O ASN A 42 10.926 6.150 -8.038 1.00 0.00 O ATOM 643 CB ASN A 42 11.997 3.717 -8.014 1.00 0.00 C ATOM 644 CG ASN A 42 12.814 3.915 -6.736 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.515 4.753 -5.901 1.00 0.00 O ATOM 646 ND2 ASN A 42 13.860 3.100 -6.631 1.00 0.00 N ATOM 0 H ASN A 42 9.040 3.675 -9.227 1.00 0.00 H new ATOM 0 HA ASN A 42 10.287 3.351 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.228 2.745 -8.451 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.277 4.472 -8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.469 3.154 -5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.053 2.421 -7.367 1.00 0.00 H new ATOM 653 N PRO A 43 8.814 5.541 -7.385 1.00 0.00 N ATOM 654 CA PRO A 43 8.302 6.900 -7.349 1.00 0.00 C ATOM 655 C PRO A 43 8.818 7.647 -6.117 1.00 0.00 C ATOM 656 O PRO A 43 9.233 7.028 -5.139 1.00 0.00 O ATOM 657 CB PRO A 43 6.789 6.751 -7.363 1.00 0.00 C ATOM 658 CG PRO A 43 6.508 5.319 -6.938 1.00 0.00 C ATOM 659 CD PRO A 43 7.813 4.544 -7.018 1.00 0.00 C ATOM 0 HA PRO A 43 8.637 7.499 -8.196 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.320 7.460 -6.681 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.386 6.950 -8.356 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.110 5.293 -5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.756 4.869 -7.587 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.053 4.074 -6.064 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.756 3.748 -7.761 1.00 0.00 H new ATOM 667 N THR A 44 8.774 8.969 -6.205 1.00 0.00 N ATOM 668 CA THR A 44 9.232 9.807 -5.110 1.00 0.00 C ATOM 669 C THR A 44 8.231 9.767 -3.954 1.00 0.00 C ATOM 670 O THR A 44 7.153 9.188 -4.080 1.00 0.00 O ATOM 671 CB THR A 44 9.469 11.215 -5.660 1.00 0.00 C ATOM 672 OG1 THR A 44 8.235 11.556 -6.286 1.00 0.00 O ATOM 673 CG2 THR A 44 10.485 11.233 -6.805 1.00 0.00 C ATOM 0 H THR A 44 8.428 9.480 -7.017 1.00 0.00 H new ATOM 0 HA THR A 44 10.172 9.441 -4.698 1.00 0.00 H new ATOM 0 HB THR A 44 9.816 11.865 -4.856 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.300 12.456 -6.669 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.616 12.256 -7.159 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.440 10.846 -6.450 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.123 10.610 -7.623 1.00 0.00 H new ATOM 681 N GLU A 45 8.624 10.390 -2.852 1.00 0.00 N ATOM 682 CA GLU A 45 7.775 10.433 -1.674 1.00 0.00 C ATOM 683 C GLU A 45 6.587 11.369 -1.909 1.00 0.00 C ATOM 684 O GLU A 45 5.599 11.320 -1.178 1.00 0.00 O ATOM 685 CB GLU A 45 8.572 10.858 -0.439 1.00 0.00 C ATOM 686 CG GLU A 45 7.675 11.577 0.571 1.00 0.00 C ATOM 687 CD GLU A 45 8.380 11.724 1.922 1.00 0.00 C ATOM 688 OE1 GLU A 45 8.712 10.671 2.507 1.00 0.00 O ATOM 689 OE2 GLU A 45 8.570 12.887 2.338 1.00 0.00 O ATOM 0 H GLU A 45 9.519 10.869 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 45 7.391 9.430 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.021 9.981 0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.389 11.515 -0.737 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.406 12.561 0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.747 11.020 0.700 1.00 0.00 H new ATOM 696 N ALA A 46 6.724 12.201 -2.932 1.00 0.00 N ATOM 697 CA ALA A 46 5.675 13.147 -3.272 1.00 0.00 C ATOM 698 C ALA A 46 4.557 12.416 -4.018 1.00 0.00 C ATOM 699 O ALA A 46 3.379 12.605 -3.718 1.00 0.00 O ATOM 700 CB ALA A 46 6.269 14.295 -4.091 1.00 0.00 C ATOM 0 H ALA A 46 7.545 12.239 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 46 5.241 13.580 -2.370 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.482 15.005 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.037 14.800 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.711 13.899 -5.005 1.00 0.00 H new ATOM 706 N GLU A 47 4.966 11.596 -4.975 1.00 0.00 N ATOM 707 CA GLU A 47 4.013 10.835 -5.766 1.00 0.00 C ATOM 708 C GLU A 47 3.166 9.940 -4.860 1.00 0.00 C ATOM 709 O GLU A 47 1.944 10.075 -4.815 1.00 0.00 O ATOM 710 CB GLU A 47 4.727 10.011 -6.839 1.00 0.00 C ATOM 711 CG GLU A 47 3.722 9.221 -7.682 1.00 0.00 C ATOM 712 CD GLU A 47 3.651 9.771 -9.108 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.736 10.010 -9.679 1.00 0.00 O ATOM 714 OE2 GLU A 47 2.512 9.941 -9.594 1.00 0.00 O ATOM 0 H GLU A 47 5.944 11.442 -5.221 1.00 0.00 H new ATOM 0 HA GLU A 47 3.350 11.535 -6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.308 10.671 -7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.431 9.325 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.010 8.170 -7.708 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.736 9.270 -7.220 1.00 0.00 H new ATOM 721 N LEU A 48 3.848 9.046 -4.160 1.00 0.00 N ATOM 722 CA LEU A 48 3.173 8.129 -3.257 1.00 0.00 C ATOM 723 C LEU A 48 2.100 8.887 -2.475 1.00 0.00 C ATOM 724 O LEU A 48 0.920 8.546 -2.542 1.00 0.00 O ATOM 725 CB LEU A 48 4.189 7.408 -2.368 1.00 0.00 C ATOM 726 CG LEU A 48 5.238 6.565 -3.096 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.545 6.512 -2.302 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.699 5.167 -3.407 1.00 0.00 C ATOM 0 H LEU A 48 4.861 8.937 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 48 2.664 7.346 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.706 8.153 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.645 6.761 -1.680 1.00 0.00 H new ATOM 0 HG LEU A 48 5.459 7.044 -4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.274 5.907 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.935 7.522 -2.175 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.359 6.069 -1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.464 4.589 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.432 4.665 -2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.816 5.250 -4.041 1.00 0.00 H new ATOM 740 N GLN A 49 2.548 9.902 -1.750 1.00 0.00 N ATOM 741 CA GLN A 49 1.640 10.712 -0.955 1.00 0.00 C ATOM 742 C GLN A 49 0.365 11.011 -1.746 1.00 0.00 C ATOM 743 O GLN A 49 -0.737 10.948 -1.202 1.00 0.00 O ATOM 744 CB GLN A 49 2.317 12.005 -0.497 1.00 0.00 C ATOM 745 CG GLN A 49 1.938 12.341 0.946 1.00 0.00 C ATOM 746 CD GLN A 49 2.882 11.654 1.935 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.093 11.662 1.785 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.262 11.061 2.951 1.00 0.00 N ATOM 0 H GLN A 49 3.527 10.182 -1.696 1.00 0.00 H new ATOM 0 HA GLN A 49 1.367 10.148 -0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.399 11.901 -0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.025 12.825 -1.154 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.974 13.420 1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.912 12.027 1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.245 11.093 3.016 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.804 10.575 3.665 1.00 0.00 H new ATOM 757 N ASP A 50 0.556 11.331 -3.018 1.00 0.00 N ATOM 758 CA ASP A 50 -0.565 11.640 -3.889 1.00 0.00 C ATOM 759 C ASP A 50 -1.396 10.375 -4.112 1.00 0.00 C ATOM 760 O ASP A 50 -2.624 10.433 -4.149 1.00 0.00 O ATOM 761 CB ASP A 50 -0.082 12.135 -5.254 1.00 0.00 C ATOM 762 CG ASP A 50 -0.412 13.596 -5.566 1.00 0.00 C ATOM 763 OD1 ASP A 50 -0.233 14.426 -4.649 1.00 0.00 O ATOM 764 OD2 ASP A 50 -0.837 13.849 -6.714 1.00 0.00 O ATOM 0 H ASP A 50 1.471 11.383 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.158 12.420 -3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.998 12.002 -5.310 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.521 11.506 -6.028 1.00 0.00 H new ATOM 769 N MET A 51 -0.693 9.261 -4.254 1.00 0.00 N ATOM 770 CA MET A 51 -1.350 7.984 -4.473 1.00 0.00 C ATOM 771 C MET A 51 -2.097 7.530 -3.217 1.00 0.00 C ATOM 772 O MET A 51 -3.301 7.283 -3.261 1.00 0.00 O ATOM 773 CB MET A 51 -0.308 6.931 -4.856 1.00 0.00 C ATOM 774 CG MET A 51 0.538 7.403 -6.040 1.00 0.00 C ATOM 775 SD MET A 51 2.015 6.410 -6.169 1.00 0.00 S ATOM 776 CE MET A 51 2.134 6.260 -7.944 1.00 0.00 C ATOM 0 H MET A 51 0.326 9.216 -4.222 1.00 0.00 H new ATOM 0 HA MET A 51 -2.072 8.102 -5.281 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.338 6.725 -4.002 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.807 5.996 -5.111 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.040 7.332 -6.962 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.805 8.452 -5.911 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.165 6.043 -8.222 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.488 5.451 -8.285 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.822 7.195 -8.410 1.00 0.00 H new ATOM 786 N ILE A 52 -1.351 7.433 -2.126 1.00 0.00 N ATOM 787 CA ILE A 52 -1.927 7.013 -0.860 1.00 0.00 C ATOM 788 C ILE A 52 -3.253 7.744 -0.641 1.00 0.00 C ATOM 789 O ILE A 52 -4.252 7.128 -0.272 1.00 0.00 O ATOM 790 CB ILE A 52 -0.922 7.208 0.277 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.205 6.175 0.196 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.622 7.187 1.637 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.982 6.108 1.512 1.00 0.00 C ATOM 0 H ILE A 52 -0.352 7.638 -2.093 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.150 5.946 -0.878 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.466 8.192 0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.211 5.195 -0.035 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.882 6.433 -0.618 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.885 7.328 2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.358 7.990 1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.122 6.228 1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.777 5.367 1.428 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.417 7.084 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.306 5.826 2.319 1.00 0.00 H new ATOM 805 N ASN A 53 -3.219 9.047 -0.876 1.00 0.00 N ATOM 806 CA ASN A 53 -4.406 9.869 -0.709 1.00 0.00 C ATOM 807 C ASN A 53 -5.573 9.232 -1.466 1.00 0.00 C ATOM 808 O ASN A 53 -6.695 9.190 -0.964 1.00 0.00 O ATOM 809 CB ASN A 53 -4.187 11.274 -1.273 1.00 0.00 C ATOM 810 CG ASN A 53 -3.876 12.271 -0.155 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.414 12.205 0.939 1.00 0.00 O ATOM 812 ND2 ASN A 53 -2.981 13.196 -0.488 1.00 0.00 N ATOM 0 H ASN A 53 -2.388 9.554 -1.181 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.621 9.938 0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.366 11.258 -1.990 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.077 11.595 -1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.706 13.907 0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.569 13.194 -1.421 1.00 0.00 H new ATOM 819 N GLU A 54 -5.268 8.752 -2.663 1.00 0.00 N ATOM 820 CA GLU A 54 -6.278 8.119 -3.495 1.00 0.00 C ATOM 821 C GLU A 54 -6.921 6.948 -2.750 1.00 0.00 C ATOM 822 O GLU A 54 -8.111 6.682 -2.913 1.00 0.00 O ATOM 823 CB GLU A 54 -5.682 7.661 -4.827 1.00 0.00 C ATOM 824 CG GLU A 54 -4.947 8.808 -5.523 1.00 0.00 C ATOM 825 CD GLU A 54 -4.944 8.618 -7.041 1.00 0.00 C ATOM 826 OE1 GLU A 54 -6.049 8.682 -7.623 1.00 0.00 O ATOM 827 OE2 GLU A 54 -3.838 8.412 -7.585 1.00 0.00 O ATOM 0 H GLU A 54 -4.336 8.789 -3.076 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.053 8.853 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.993 6.834 -4.656 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.475 7.287 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.425 9.755 -5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.921 8.862 -5.158 1.00 0.00 H new ATOM 834 N VAL A 55 -6.106 6.279 -1.948 1.00 0.00 N ATOM 835 CA VAL A 55 -6.581 5.142 -1.177 1.00 0.00 C ATOM 836 C VAL A 55 -6.585 5.505 0.309 1.00 0.00 C ATOM 837 O VAL A 55 -6.405 4.639 1.164 1.00 0.00 O ATOM 838 CB VAL A 55 -5.732 3.907 -1.489 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.445 2.989 -2.483 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.349 4.309 -2.007 1.00 0.00 C ATOM 0 H VAL A 55 -5.120 6.502 -1.815 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.606 4.894 -1.454 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.593 3.352 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.821 2.119 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.395 2.662 -2.060 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.629 3.530 -3.411 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.766 3.413 -2.221 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.459 4.897 -2.918 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.836 4.904 -1.251 1.00 0.00 H new ATOM 850 N ASP A 56 -6.793 6.786 0.572 1.00 0.00 N ATOM 851 CA ASP A 56 -6.824 7.275 1.940 1.00 0.00 C ATOM 852 C ASP A 56 -7.678 8.542 2.006 1.00 0.00 C ATOM 853 O ASP A 56 -7.225 9.621 1.625 1.00 0.00 O ATOM 854 CB ASP A 56 -5.418 7.625 2.431 1.00 0.00 C ATOM 855 CG ASP A 56 -5.370 8.563 3.639 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.915 8.163 4.690 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.790 9.659 3.484 1.00 0.00 O ATOM 0 H ASP A 56 -6.942 7.501 -0.140 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.241 6.489 2.570 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.898 6.702 2.686 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.867 8.085 1.611 1.00 0.00 H new ATOM 862 N ALA A 57 -8.898 8.371 2.492 1.00 0.00 N ATOM 863 CA ALA A 57 -9.819 9.488 2.612 1.00 0.00 C ATOM 864 C ALA A 57 -9.752 10.048 4.035 1.00 0.00 C ATOM 865 O ALA A 57 -10.288 11.120 4.309 1.00 0.00 O ATOM 866 CB ALA A 57 -11.229 9.031 2.232 1.00 0.00 C ATOM 0 H ALA A 57 -9.270 7.475 2.807 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.541 10.290 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.920 9.869 2.322 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.230 8.669 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.543 8.228 2.899 1.00 0.00 H new ATOM 872 N ASP A 58 -9.089 9.297 4.901 1.00 0.00 N ATOM 873 CA ASP A 58 -8.944 9.705 6.288 1.00 0.00 C ATOM 874 C ASP A 58 -7.876 10.796 6.386 1.00 0.00 C ATOM 875 O ASP A 58 -8.032 11.757 7.137 1.00 0.00 O ATOM 876 CB ASP A 58 -8.502 8.531 7.165 1.00 0.00 C ATOM 877 CG ASP A 58 -7.048 8.588 7.637 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.720 9.563 8.348 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.297 7.656 7.277 1.00 0.00 O ATOM 0 H ASP A 58 -8.646 8.408 4.669 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.911 10.070 6.634 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.151 8.486 8.040 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.652 7.605 6.609 1.00 0.00 H new ATOM 884 N GLY A 59 -6.814 10.611 5.615 1.00 0.00 N ATOM 885 CA GLY A 59 -5.721 11.567 5.605 1.00 0.00 C ATOM 886 C GLY A 59 -4.751 11.304 6.759 1.00 0.00 C ATOM 887 O GLY A 59 -4.155 12.234 7.298 1.00 0.00 O ATOM 0 H GLY A 59 -6.688 9.813 4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.188 11.505 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.118 12.579 5.682 1.00 0.00 H new ATOM 891 N ASN A 60 -4.624 10.031 7.104 1.00 0.00 N ATOM 892 CA ASN A 60 -3.737 9.633 8.184 1.00 0.00 C ATOM 893 C ASN A 60 -2.302 9.563 7.660 1.00 0.00 C ATOM 894 O ASN A 60 -1.351 9.568 8.440 1.00 0.00 O ATOM 895 CB ASN A 60 -4.112 8.251 8.723 1.00 0.00 C ATOM 896 CG ASN A 60 -3.845 7.164 7.680 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.912 7.388 6.482 1.00 0.00 O ATOM 898 ND2 ASN A 60 -3.541 5.978 8.199 1.00 0.00 N ATOM 0 H ASN A 60 -5.121 9.262 6.655 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.827 10.369 8.983 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.539 8.042 9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.165 8.240 9.004 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.347 5.187 7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.502 5.859 9.211 1.00 0.00 H new ATOM 905 N GLY A 61 -2.190 9.498 6.341 1.00 0.00 N ATOM 906 CA GLY A 61 -0.886 9.427 5.703 1.00 0.00 C ATOM 907 C GLY A 61 -0.531 7.984 5.341 1.00 0.00 C ATOM 908 O GLY A 61 0.193 7.742 4.377 1.00 0.00 O ATOM 0 H GLY A 61 -2.981 9.493 5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.883 10.043 4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.128 9.835 6.371 1.00 0.00 H new ATOM 912 N THR A 62 -1.058 7.062 6.133 1.00 0.00 N ATOM 913 CA THR A 62 -0.806 5.649 5.908 1.00 0.00 C ATOM 914 C THR A 62 -2.009 4.994 5.226 1.00 0.00 C ATOM 915 O THR A 62 -3.080 5.593 5.141 1.00 0.00 O ATOM 916 CB THR A 62 -0.449 5.012 7.253 1.00 0.00 C ATOM 917 OG1 THR A 62 0.285 6.026 7.933 1.00 0.00 O ATOM 918 CG2 THR A 62 0.549 3.862 7.110 1.00 0.00 C ATOM 0 H THR A 62 -1.659 7.266 6.932 1.00 0.00 H new ATOM 0 HA THR A 62 0.033 5.501 5.229 1.00 0.00 H new ATOM 0 HB THR A 62 -1.357 4.647 7.734 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.555 5.698 8.816 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.768 3.446 8.093 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.122 3.086 6.475 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.470 4.233 6.660 1.00 0.00 H new ATOM 926 N ILE A 63 -1.792 3.774 4.758 1.00 0.00 N ATOM 927 CA ILE A 63 -2.845 3.032 4.086 1.00 0.00 C ATOM 928 C ILE A 63 -3.198 1.794 4.913 1.00 0.00 C ATOM 929 O ILE A 63 -2.313 1.054 5.338 1.00 0.00 O ATOM 930 CB ILE A 63 -2.440 2.713 2.645 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.306 3.993 1.817 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.414 1.719 2.009 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.488 4.153 0.859 1.00 0.00 C ATOM 0 H ILE A 63 -0.902 3.281 4.831 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.749 3.636 4.013 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.460 2.237 2.663 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.252 4.856 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.375 3.968 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.103 1.509 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.416 0.793 2.584 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.417 2.145 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.368 5.070 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.524 3.301 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.415 4.202 1.430 1.00 0.00 H new ATOM 945 N ASP A 64 -4.494 1.609 5.117 1.00 0.00 N ATOM 946 CA ASP A 64 -4.976 0.474 5.887 1.00 0.00 C ATOM 947 C ASP A 64 -5.538 -0.582 4.932 1.00 0.00 C ATOM 948 O ASP A 64 -5.551 -0.382 3.719 1.00 0.00 O ATOM 949 CB ASP A 64 -6.096 0.892 6.842 1.00 0.00 C ATOM 950 CG ASP A 64 -5.758 2.069 7.758 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.879 1.879 8.627 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.387 3.133 7.570 1.00 0.00 O ATOM 0 H ASP A 64 -5.225 2.226 4.763 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.140 0.078 6.463 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.977 1.150 6.254 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.365 0.035 7.460 1.00 0.00 H new ATOM 957 N PHE A 65 -5.988 -1.682 5.517 1.00 0.00 N ATOM 958 CA PHE A 65 -6.549 -2.769 4.734 1.00 0.00 C ATOM 959 C PHE A 65 -7.852 -2.341 4.055 1.00 0.00 C ATOM 960 O PHE A 65 -8.065 -2.624 2.877 1.00 0.00 O ATOM 961 CB PHE A 65 -6.848 -3.913 5.706 1.00 0.00 C ATOM 962 CG PHE A 65 -7.393 -5.175 5.033 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.761 -5.694 3.947 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.510 -5.777 5.523 1.00 0.00 C ATOM 965 CE1 PHE A 65 -7.267 -6.865 3.323 1.00 0.00 C ATOM 966 CE2 PHE A 65 -9.017 -6.948 4.899 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.385 -7.467 3.812 1.00 0.00 C ATOM 0 H PHE A 65 -5.975 -1.844 6.524 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.846 -3.068 3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.935 -4.166 6.245 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.570 -3.568 6.446 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.874 -5.216 3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.011 -5.365 6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.765 -7.278 2.461 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.904 -7.426 5.287 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.771 -8.357 3.337 1.00 0.00 H new ATOM 977 N PRO A 66 -8.712 -1.646 4.847 1.00 0.00 N ATOM 978 CA PRO A 66 -9.987 -1.176 4.335 1.00 0.00 C ATOM 979 C PRO A 66 -9.798 0.036 3.421 1.00 0.00 C ATOM 980 O PRO A 66 -10.735 0.465 2.749 1.00 0.00 O ATOM 981 CB PRO A 66 -10.816 -0.863 5.571 1.00 0.00 C ATOM 982 CG PRO A 66 -9.824 -0.727 6.715 1.00 0.00 C ATOM 983 CD PRO A 66 -8.493 -1.292 6.247 1.00 0.00 C ATOM 0 HA PRO A 66 -10.488 -1.916 3.712 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.386 0.057 5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.535 -1.657 5.770 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.715 0.318 7.003 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.179 -1.265 7.594 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.693 -0.558 6.349 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.204 -2.163 6.835 1.00 0.00 H new ATOM 991 N GLU A 67 -8.578 0.554 3.424 1.00 0.00 N ATOM 992 CA GLU A 67 -8.253 1.708 2.602 1.00 0.00 C ATOM 993 C GLU A 67 -7.534 1.266 1.326 1.00 0.00 C ATOM 994 O GLU A 67 -7.633 1.927 0.293 1.00 0.00 O ATOM 995 CB GLU A 67 -7.411 2.718 3.384 1.00 0.00 C ATOM 996 CG GLU A 67 -7.919 2.860 4.821 1.00 0.00 C ATOM 997 CD GLU A 67 -8.876 4.047 4.950 1.00 0.00 C ATOM 998 OE1 GLU A 67 -10.070 3.849 4.637 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.391 5.124 5.358 1.00 0.00 O ATOM 0 H GLU A 67 -7.803 0.196 3.982 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.183 2.201 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.369 2.399 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.443 3.687 2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.427 1.944 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.075 2.994 5.497 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.827 0.151 1.440 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.092 -0.387 0.308 1.00 0.00 C ATOM 1008 C PHE A 68 -6.960 -1.353 -0.501 1.00 0.00 C ATOM 1009 O PHE A 68 -6.821 -1.447 -1.720 1.00 0.00 O ATOM 1010 CB PHE A 68 -4.894 -1.150 0.875 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.477 -2.363 0.040 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.225 -3.498 0.070 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.358 -2.306 -0.731 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.839 -4.624 -0.705 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -2.971 -3.432 -1.505 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.720 -4.567 -1.476 1.00 0.00 C ATOM 0 H PHE A 68 -6.748 -0.394 2.298 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.783 0.422 -0.354 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.047 -0.468 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.133 -1.482 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.113 -3.543 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.764 -1.404 -0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.434 -5.525 -0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.082 -3.387 -2.117 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.426 -5.423 -2.065 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.838 -2.045 0.210 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.729 -3.001 -0.427 1.00 0.00 C ATOM 1028 C LEU A 69 -9.252 -2.409 -1.737 1.00 0.00 C ATOM 1029 O LEU A 69 -9.287 -3.091 -2.760 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.836 -3.427 0.540 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.514 -4.619 1.444 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.439 -4.649 2.662 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.558 -5.931 0.658 1.00 0.00 C ATOM 0 H LEU A 69 -7.952 -1.963 1.220 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.190 -3.914 -0.682 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.088 -2.575 1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.726 -3.667 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.496 -4.501 1.816 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.189 -5.506 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.314 -3.731 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.474 -4.732 2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.326 -6.762 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.554 -6.070 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.826 -5.897 -0.149 1.00 0.00 H new ATOM 1045 N THR A 70 -9.645 -1.146 -1.664 1.00 0.00 N ATOM 1046 CA THR A 70 -10.164 -0.454 -2.832 1.00 0.00 C ATOM 1047 C THR A 70 -9.187 -0.578 -4.003 1.00 0.00 C ATOM 1048 O THR A 70 -9.591 -0.890 -5.123 1.00 0.00 O ATOM 1049 CB THR A 70 -10.455 0.994 -2.434 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.808 1.627 -3.661 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.199 1.739 -1.978 1.00 0.00 C ATOM 0 H THR A 70 -9.615 -0.583 -0.814 1.00 0.00 H new ATOM 0 HA THR A 70 -11.095 -0.904 -3.177 1.00 0.00 H new ATOM 0 HB THR A 70 -11.196 1.009 -1.635 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.014 2.571 -3.495 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.461 2.762 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.770 1.233 -1.113 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.470 1.754 -2.788 1.00 0.00 H new ATOM 1059 N MET A 71 -7.921 -0.328 -3.705 1.00 0.00 N ATOM 1060 CA MET A 71 -6.883 -0.408 -4.719 1.00 0.00 C ATOM 1061 C MET A 71 -7.014 -1.694 -5.537 1.00 0.00 C ATOM 1062 O MET A 71 -7.072 -1.650 -6.765 1.00 0.00 O ATOM 1063 CB MET A 71 -5.509 -0.367 -4.048 1.00 0.00 C ATOM 1064 CG MET A 71 -4.617 0.698 -4.689 1.00 0.00 C ATOM 1065 SD MET A 71 -3.159 -0.063 -5.382 1.00 0.00 S ATOM 1066 CE MET A 71 -2.086 1.360 -5.483 1.00 0.00 C ATOM 0 H MET A 71 -7.590 -0.070 -2.775 1.00 0.00 H new ATOM 0 HA MET A 71 -6.993 0.442 -5.393 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.626 -0.157 -2.985 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.031 -1.343 -4.129 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.168 1.224 -5.468 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.331 1.441 -3.944 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.124 1.061 -5.898 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.541 2.114 -6.126 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.938 1.775 -4.486 1.00 0.00 H new ATOM 1076 N MET A 72 -7.057 -2.810 -4.824 1.00 0.00 N ATOM 1077 CA MET A 72 -7.180 -4.106 -5.468 1.00 0.00 C ATOM 1078 C MET A 72 -8.386 -4.139 -6.409 1.00 0.00 C ATOM 1079 O MET A 72 -8.261 -4.523 -7.571 1.00 0.00 O ATOM 1080 CB MET A 72 -7.334 -5.194 -4.403 1.00 0.00 C ATOM 1081 CG MET A 72 -6.046 -5.355 -3.593 1.00 0.00 C ATOM 1082 SD MET A 72 -5.265 -6.910 -3.991 1.00 0.00 S ATOM 1083 CE MET A 72 -3.934 -6.332 -5.031 1.00 0.00 C ATOM 0 H MET A 72 -7.009 -2.843 -3.806 1.00 0.00 H new ATOM 0 HA MET A 72 -6.279 -4.285 -6.055 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.158 -4.941 -3.736 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.589 -6.141 -4.879 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.366 -4.531 -3.809 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.269 -5.313 -2.527 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.342 -7.182 -5.370 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.347 -5.810 -5.894 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.300 -5.650 -4.465 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.526 -3.730 -5.873 1.00 0.00 N ATOM 1094 CA ALA A 73 -10.753 -3.707 -6.650 1.00 0.00 C ATOM 1095 C ALA A 73 -10.468 -3.107 -8.028 1.00 0.00 C ATOM 1096 O ALA A 73 -10.823 -3.693 -9.050 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.827 -2.929 -5.886 1.00 0.00 C ATOM 0 H ALA A 73 -9.626 -3.412 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.130 -4.718 -6.802 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.748 -2.912 -6.469 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.014 -3.413 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.485 -1.908 -5.717 1.00 0.00 H new ATOM 1103 N ARG A 74 -9.830 -1.946 -8.012 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.493 -1.260 -9.248 1.00 0.00 C ATOM 1105 C ARG A 74 -8.091 -1.661 -9.712 1.00 0.00 C ATOM 1106 O ARG A 74 -7.273 -0.803 -10.040 1.00 0.00 O ATOM 1107 CB ARG A 74 -9.549 0.258 -9.068 1.00 0.00 C ATOM 1108 CG ARG A 74 -10.886 0.690 -8.463 1.00 0.00 C ATOM 1109 CD ARG A 74 -10.891 2.189 -8.158 1.00 0.00 C ATOM 1110 NE ARG A 74 -9.946 2.485 -7.058 1.00 0.00 N ATOM 1111 CZ ARG A 74 -8.649 2.770 -7.238 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -8.135 2.799 -8.475 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -7.866 3.025 -6.181 1.00 0.00 N ATOM 0 H ARG A 74 -9.537 -1.463 -7.163 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.226 -1.552 -10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.732 0.581 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -9.407 0.747 -10.032 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.695 0.453 -9.154 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.073 0.128 -7.548 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.612 2.751 -9.049 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -11.896 2.509 -7.881 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.304 2.471 -6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.731 2.604 -9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.148 3.016 -8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.257 3.002 -5.239 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.879 3.242 -6.318 1.00 0.00 H new ATOM 1127 N LYS A 75 -7.857 -2.965 -9.725 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.568 -3.489 -10.144 1.00 0.00 C ATOM 1129 C LYS A 75 -6.136 -2.796 -11.437 1.00 0.00 C ATOM 1130 O LYS A 75 -5.040 -2.242 -11.513 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.620 -5.015 -10.252 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.512 -5.661 -9.419 1.00 0.00 C ATOM 1133 CD LYS A 75 -4.810 -6.770 -10.206 1.00 0.00 C ATOM 1134 CE LYS A 75 -3.804 -6.185 -11.199 1.00 0.00 C ATOM 1135 NZ LYS A 75 -3.307 -7.237 -12.113 1.00 0.00 N ATOM 1136 OXT LYS A 75 -7.019 -2.849 -12.424 1.00 0.00 O ATOM 0 H LYS A 75 -8.538 -3.674 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.806 -3.271 -9.395 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.592 -5.374 -9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.516 -5.313 -11.295 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.786 -4.904 -9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.934 -6.072 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.298 -7.441 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.550 -7.366 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.274 -5.387 -11.774 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.968 -5.739 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.625 -6.823 -12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.841 -7.985 -11.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.105 -7.644 -12.641 1.00 0.00 H new TER 1150 LYS A 75 HETATM 1151 CE CE A 76 3.461 -0.590 7.715 1.00 0.00 CE HETATM 1152 CE CE A 77 -5.524 5.641 6.107 1.00 0.00 CE