USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 421 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 33 HIS : no HE2:sc= 1.02 K(o=2.3,f=-7!) USER MOD Set 1.2: A 49 SER OG : rot -161:sc= 1.28 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0816 (180deg=-0.536) USER MOD Single : A 1 MET N :NH3+ -178:sc= 1.17 (180deg=1.05) USER MOD Single : A 4 LYS NZ :NH3+ -119:sc= -1.14 (180deg=-2!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.0169 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0.673) USER MOD Single : A 26 THR OG1 : rot -40:sc= 0.537 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -151:sc= -2.02 (180deg=-2.86!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.4) USER MOD Single : A 50 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.2!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.586 9.808 11.201 1.00 0.00 N ATOM 2 CA MET A 1 -7.151 9.598 10.920 1.00 0.00 C ATOM 3 C MET A 1 -6.674 8.250 11.451 1.00 0.00 C ATOM 4 O MET A 1 -6.693 7.993 12.656 1.00 0.00 O ATOM 5 CB MET A 1 -6.305 10.720 11.531 1.00 0.00 C ATOM 6 CG MET A 1 -6.562 12.088 10.923 1.00 0.00 C ATOM 7 SD MET A 1 -5.459 13.358 11.578 1.00 0.00 S ATOM 8 CE MET A 1 -5.883 13.319 13.321 1.00 0.00 C ATOM 0 H1 MET A 1 -8.889 10.718 10.798 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.140 9.038 10.773 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.741 9.816 12.229 1.00 0.00 H new ATOM 0 HA MET A 1 -7.028 9.609 9.837 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.501 10.767 12.602 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.250 10.473 11.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.440 12.029 9.841 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.596 12.377 11.112 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.539 14.236 13.800 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.964 13.236 13.431 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.404 12.461 13.793 1.00 0.00 H new ATOM 18 N GLY A 2 -6.263 7.392 10.531 1.00 0.00 N ATOM 19 CA GLY A 2 -5.646 6.133 10.890 1.00 0.00 C ATOM 20 C GLY A 2 -4.211 6.098 10.418 1.00 0.00 C ATOM 21 O GLY A 2 -3.400 6.927 10.835 1.00 0.00 O ATOM 0 H GLY A 2 -6.348 7.549 9.527 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -5.684 5.997 11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -6.202 5.308 10.445 1.00 0.00 H new ATOM 25 N LEU A 3 -3.894 5.159 9.540 1.00 0.00 N ATOM 26 CA LEU A 3 -2.586 5.141 8.895 1.00 0.00 C ATOM 27 C LEU A 3 -2.439 6.368 8.004 1.00 0.00 C ATOM 28 O LEU A 3 -3.393 6.770 7.331 1.00 0.00 O ATOM 29 CB LEU A 3 -2.401 3.866 8.065 1.00 0.00 C ATOM 30 CG LEU A 3 -2.370 2.556 8.859 1.00 0.00 C ATOM 31 CD1 LEU A 3 -2.223 1.369 7.916 1.00 0.00 C ATOM 32 CD2 LEU A 3 -1.233 2.576 9.874 1.00 0.00 C ATOM 0 H LEU A 3 -4.518 4.403 9.258 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.818 5.157 9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.209 3.809 7.336 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.471 3.952 7.504 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.311 2.454 9.399 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.202 0.445 8.494 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.066 1.346 7.226 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.295 1.465 7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.225 1.638 10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.283 2.698 9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.377 3.406 10.565 1.00 0.00 H new ATOM 43 N LYS A 4 -1.261 6.969 8.018 1.00 0.00 N ATOM 44 CA LYS A 4 -1.004 8.167 7.235 1.00 0.00 C ATOM 45 C LYS A 4 -0.141 7.831 6.028 1.00 0.00 C ATOM 46 O LYS A 4 0.616 6.863 6.062 1.00 0.00 O ATOM 47 CB LYS A 4 -0.301 9.218 8.096 1.00 0.00 C ATOM 48 CG LYS A 4 -1.075 9.574 9.352 1.00 0.00 C ATOM 49 CD LYS A 4 -2.420 10.204 9.024 1.00 0.00 C ATOM 50 CE LYS A 4 -2.325 11.719 8.901 1.00 0.00 C ATOM 51 NZ LYS A 4 -1.694 12.151 7.624 1.00 0.00 N ATOM 0 H LYS A 4 -0.464 6.645 8.566 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.957 8.568 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.685 8.848 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.147 10.120 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.230 8.676 9.951 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.488 10.264 9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.798 9.787 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -3.140 9.948 9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.324 12.149 8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.748 12.112 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.828 12.688 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.456 11.314 7.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.357 12.752 7.095 1.00 0.00 H new ATOM 61 N TRP A 5 -0.250 8.633 4.971 1.00 0.00 N ATOM 62 CA TRP A 5 0.558 8.439 3.766 1.00 0.00 C ATOM 63 C TRP A 5 2.051 8.457 4.088 1.00 0.00 C ATOM 64 O TRP A 5 2.849 7.793 3.424 1.00 0.00 O ATOM 65 CB TRP A 5 0.263 9.526 2.733 1.00 0.00 C ATOM 66 CG TRP A 5 -1.063 9.394 2.050 1.00 0.00 C ATOM 67 CD1 TRP A 5 -2.022 10.355 1.950 1.00 0.00 C ATOM 68 CD2 TRP A 5 -1.575 8.243 1.364 1.00 0.00 C ATOM 69 NE1 TRP A 5 -3.091 9.879 1.236 1.00 0.00 N ATOM 70 CE2 TRP A 5 -2.844 8.585 0.868 1.00 0.00 C ATOM 71 CE3 TRP A 5 -1.084 6.959 1.118 1.00 0.00 C ATOM 72 CZ2 TRP A 5 -3.627 7.691 0.141 1.00 0.00 C ATOM 73 CZ3 TRP A 5 -1.860 6.073 0.398 1.00 0.00 C ATOM 74 CH2 TRP A 5 -3.120 6.442 -0.084 1.00 0.00 C ATOM 0 H TRP A 5 -0.891 9.425 4.923 1.00 0.00 H new ATOM 0 HA TRP A 5 0.293 7.464 3.358 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.308 10.498 3.225 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.049 9.514 1.978 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -1.951 11.347 2.371 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -3.936 10.406 1.014 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -0.112 6.664 1.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -4.600 7.975 -0.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.488 5.078 0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.703 5.726 -0.645 1.00 0.00 H new ATOM 84 N THR A 6 2.417 9.229 5.103 1.00 0.00 N ATOM 85 CA THR A 6 3.808 9.347 5.523 1.00 0.00 C ATOM 86 C THR A 6 4.331 8.015 6.068 1.00 0.00 C ATOM 87 O THR A 6 5.524 7.715 5.976 1.00 0.00 O ATOM 88 CB THR A 6 3.957 10.435 6.604 1.00 0.00 C ATOM 89 OG1 THR A 6 3.214 11.601 6.225 1.00 0.00 O ATOM 90 CG2 THR A 6 5.418 10.812 6.802 1.00 0.00 C ATOM 0 H THR A 6 1.765 9.787 5.654 1.00 0.00 H new ATOM 0 HA THR A 6 4.395 9.625 4.648 1.00 0.00 H new ATOM 0 HB THR A 6 3.570 10.037 7.542 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.310 12.289 6.916 1.00 0.00 H new ATOM 0 HG21 THR A 6 5.494 11.582 7.570 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.982 9.932 7.112 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.826 11.193 5.865 1.00 0.00 H new ATOM 98 N ASP A 7 3.425 7.208 6.601 1.00 0.00 N ATOM 99 CA ASP A 7 3.788 5.935 7.209 1.00 0.00 C ATOM 100 C ASP A 7 3.776 4.828 6.170 1.00 0.00 C ATOM 101 O ASP A 7 3.041 3.847 6.293 1.00 0.00 O ATOM 102 CB ASP A 7 2.828 5.588 8.349 1.00 0.00 C ATOM 103 CG ASP A 7 2.868 6.606 9.468 1.00 0.00 C ATOM 104 OD1 ASP A 7 3.959 6.842 10.026 1.00 0.00 O ATOM 105 OD2 ASP A 7 1.810 7.189 9.784 1.00 0.00 O ATOM 0 H ASP A 7 2.426 7.414 6.625 1.00 0.00 H new ATOM 0 HA ASP A 7 4.795 6.028 7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.813 5.522 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.081 4.605 8.747 1.00 0.00 H new ATOM 109 N SER A 8 4.615 4.984 5.158 1.00 0.00 N ATOM 110 CA SER A 8 4.659 4.059 4.036 1.00 0.00 C ATOM 111 C SER A 8 4.995 2.636 4.479 1.00 0.00 C ATOM 112 O SER A 8 4.455 1.675 3.937 1.00 0.00 O ATOM 113 CB SER A 8 5.668 4.553 3.003 1.00 0.00 C ATOM 114 OG SER A 8 6.866 4.981 3.630 1.00 0.00 O ATOM 0 H SER A 8 5.282 5.752 5.091 1.00 0.00 H new ATOM 0 HA SER A 8 3.666 4.026 3.587 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.889 3.755 2.294 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.237 5.376 2.433 1.00 0.00 H new ATOM 0 HG SER A 8 7.499 5.292 2.949 1.00 0.00 H new ATOM 119 N ARG A 9 5.860 2.500 5.480 1.00 0.00 N ATOM 120 CA ARG A 9 6.272 1.180 5.940 1.00 0.00 C ATOM 121 C ARG A 9 5.105 0.462 6.601 1.00 0.00 C ATOM 122 O ARG A 9 4.809 -0.686 6.273 1.00 0.00 O ATOM 123 CB ARG A 9 7.450 1.256 6.915 1.00 0.00 C ATOM 124 CG ARG A 9 7.778 -0.089 7.550 1.00 0.00 C ATOM 125 CD ARG A 9 8.984 -0.013 8.467 1.00 0.00 C ATOM 126 NE ARG A 9 9.184 -1.268 9.190 1.00 0.00 N ATOM 127 CZ ARG A 9 10.131 -2.159 8.894 1.00 0.00 C ATOM 128 NH1 ARG A 9 10.952 -1.950 7.870 1.00 0.00 N ATOM 129 NH2 ARG A 9 10.250 -3.263 9.619 1.00 0.00 N ATOM 0 H ARG A 9 6.285 3.279 5.983 1.00 0.00 H new ATOM 0 HA ARG A 9 6.597 0.619 5.064 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.329 1.628 6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.220 1.977 7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.916 -0.441 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.966 -0.822 6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.874 0.217 7.882 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.851 0.802 9.179 1.00 0.00 H new ATOM 0 HE ARG A 9 8.560 -1.475 9.970 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.859 -1.105 7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.675 -2.635 7.648 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.618 -3.430 10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.974 -3.945 9.394 1.00 0.00 H new ATOM 140 N GLU A 10 4.438 1.151 7.517 1.00 0.00 N ATOM 141 CA GLU A 10 3.309 0.568 8.231 1.00 0.00 C ATOM 142 C GLU A 10 2.189 0.212 7.262 1.00 0.00 C ATOM 143 O GLU A 10 1.465 -0.760 7.465 1.00 0.00 O ATOM 144 CB GLU A 10 2.804 1.519 9.320 1.00 0.00 C ATOM 145 CG GLU A 10 3.870 1.871 10.344 1.00 0.00 C ATOM 146 CD GLU A 10 3.313 2.569 11.567 1.00 0.00 C ATOM 147 OE1 GLU A 10 2.759 1.879 12.445 1.00 0.00 O ATOM 148 OE2 GLU A 10 3.443 3.805 11.668 1.00 0.00 O ATOM 0 H GLU A 10 4.658 2.111 7.783 1.00 0.00 H new ATOM 0 HA GLU A 10 3.647 -0.349 8.714 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.439 2.435 8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.956 1.061 9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.381 0.960 10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.617 2.512 9.876 1.00 0.00 H new ATOM 153 N ILE A 11 2.068 0.987 6.193 1.00 0.00 N ATOM 154 CA ILE A 11 1.091 0.696 5.154 1.00 0.00 C ATOM 155 C ILE A 11 1.547 -0.501 4.317 1.00 0.00 C ATOM 156 O ILE A 11 0.752 -1.387 3.997 1.00 0.00 O ATOM 157 CB ILE A 11 0.859 1.915 4.237 1.00 0.00 C ATOM 158 CG1 ILE A 11 0.311 3.097 5.041 1.00 0.00 C ATOM 159 CG2 ILE A 11 -0.089 1.552 3.108 1.00 0.00 C ATOM 160 CD1 ILE A 11 0.159 4.364 4.226 1.00 0.00 C ATOM 0 H ILE A 11 2.632 1.819 6.023 1.00 0.00 H new ATOM 0 HA ILE A 11 0.148 0.457 5.646 1.00 0.00 H new ATOM 0 HB ILE A 11 1.815 2.210 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.659 2.824 5.458 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.976 3.293 5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.244 2.421 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.340 0.741 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.045 1.233 3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.234 5.159 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.130 4.661 3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.529 4.185 3.400 1.00 0.00 H new ATOM 171 N GLY A 12 2.834 -0.526 3.982 1.00 0.00 N ATOM 172 CA GLY A 12 3.398 -1.639 3.241 1.00 0.00 C ATOM 173 C GLY A 12 3.234 -2.949 3.980 1.00 0.00 C ATOM 174 O GLY A 12 2.886 -3.972 3.384 1.00 0.00 O ATOM 0 H GLY A 12 3.500 0.211 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.914 -1.709 2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.457 -1.455 3.059 1.00 0.00 H new ATOM 178 N GLU A 13 3.468 -2.911 5.287 1.00 0.00 N ATOM 179 CA GLU A 13 3.276 -4.080 6.130 1.00 0.00 C ATOM 180 C GLU A 13 1.808 -4.475 6.166 1.00 0.00 C ATOM 181 O GLU A 13 1.484 -5.656 6.139 1.00 0.00 O ATOM 182 CB GLU A 13 3.784 -3.822 7.547 1.00 0.00 C ATOM 183 CG GLU A 13 5.276 -3.566 7.619 1.00 0.00 C ATOM 184 CD GLU A 13 5.766 -3.424 9.042 1.00 0.00 C ATOM 185 OE1 GLU A 13 5.704 -2.304 9.586 1.00 0.00 O ATOM 186 OE2 GLU A 13 6.196 -4.438 9.631 1.00 0.00 O ATOM 0 H GLU A 13 3.791 -2.081 5.784 1.00 0.00 H new ATOM 0 HA GLU A 13 3.852 -4.901 5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.256 -2.964 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.540 -4.680 8.173 1.00 0.00 H new ATOM 0 HG2 GLU A 13 5.807 -4.386 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.514 -2.659 7.063 1.00 0.00 H new ATOM 191 N ALA A 14 0.925 -3.478 6.215 1.00 0.00 N ATOM 192 CA ALA A 14 -0.515 -3.726 6.181 1.00 0.00 C ATOM 193 C ALA A 14 -0.900 -4.487 4.924 1.00 0.00 C ATOM 194 O ALA A 14 -1.677 -5.440 4.972 1.00 0.00 O ATOM 195 CB ALA A 14 -1.292 -2.419 6.241 1.00 0.00 C ATOM 0 H ALA A 14 1.181 -2.493 6.278 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.767 -4.328 7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.361 -2.630 6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.049 -1.893 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.023 -1.797 5.387 1.00 0.00 H new ATOM 201 N LEU A 15 -0.338 -4.062 3.802 1.00 0.00 N ATOM 202 CA LEU A 15 -0.632 -4.679 2.520 1.00 0.00 C ATOM 203 C LEU A 15 -0.139 -6.122 2.484 1.00 0.00 C ATOM 204 O LEU A 15 -0.801 -6.992 1.931 1.00 0.00 O ATOM 205 CB LEU A 15 -0.008 -3.874 1.377 1.00 0.00 C ATOM 206 CG LEU A 15 -0.471 -2.415 1.271 1.00 0.00 C ATOM 207 CD1 LEU A 15 0.040 -1.778 -0.009 1.00 0.00 C ATOM 208 CD2 LEU A 15 -1.987 -2.328 1.352 1.00 0.00 C ATOM 0 H LEU A 15 0.326 -3.289 3.755 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.714 -4.684 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.075 -3.886 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.231 -4.378 0.436 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.053 -1.862 2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.301 -0.744 -0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.130 -1.802 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.342 -2.330 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.296 -1.286 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.428 -2.899 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.325 -2.737 2.304 1.00 0.00 H new ATOM 219 N TYR A 16 1.013 -6.377 3.088 1.00 0.00 N ATOM 220 CA TYR A 16 1.552 -7.730 3.138 1.00 0.00 C ATOM 221 C TYR A 16 0.807 -8.581 4.166 1.00 0.00 C ATOM 222 O TYR A 16 0.549 -9.761 3.939 1.00 0.00 O ATOM 223 CB TYR A 16 3.051 -7.707 3.460 1.00 0.00 C ATOM 224 CG TYR A 16 3.646 -9.087 3.630 1.00 0.00 C ATOM 225 CD1 TYR A 16 3.814 -9.930 2.540 1.00 0.00 C ATOM 226 CD2 TYR A 16 4.024 -9.553 4.882 1.00 0.00 C ATOM 227 CE1 TYR A 16 4.342 -11.198 2.692 1.00 0.00 C ATOM 228 CE2 TYR A 16 4.550 -10.820 5.044 1.00 0.00 C ATOM 229 CZ TYR A 16 4.710 -11.637 3.946 1.00 0.00 C ATOM 230 OH TYR A 16 5.230 -12.903 4.107 1.00 0.00 O ATOM 0 H TYR A 16 1.589 -5.672 3.547 1.00 0.00 H new ATOM 0 HA TYR A 16 1.413 -8.178 2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.579 -7.187 2.661 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.211 -7.135 4.374 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.527 -9.589 1.556 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.905 -8.914 5.744 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.466 -11.841 1.833 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.834 -11.168 6.026 1.00 0.00 H new ATOM 0 HH TYR A 16 5.438 -13.053 5.053 1.00 0.00 H new ATOM 239 N ASP A 17 0.468 -7.978 5.294 1.00 0.00 N ATOM 240 CA ASP A 17 -0.225 -8.685 6.366 1.00 0.00 C ATOM 241 C ASP A 17 -1.633 -9.087 5.937 1.00 0.00 C ATOM 242 O ASP A 17 -2.060 -10.221 6.157 1.00 0.00 O ATOM 243 CB ASP A 17 -0.288 -7.815 7.624 1.00 0.00 C ATOM 244 CG ASP A 17 -1.010 -8.496 8.770 1.00 0.00 C ATOM 245 OD1 ASP A 17 -0.408 -9.377 9.420 1.00 0.00 O ATOM 246 OD2 ASP A 17 -2.179 -8.151 9.029 1.00 0.00 O ATOM 0 H ASP A 17 0.661 -6.997 5.494 1.00 0.00 H new ATOM 0 HA ASP A 17 0.337 -9.592 6.589 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.725 -7.562 7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.792 -6.878 7.388 1.00 0.00 H new ATOM 250 N ALA A 18 -2.338 -8.158 5.306 1.00 0.00 N ATOM 251 CA ALA A 18 -3.708 -8.399 4.872 1.00 0.00 C ATOM 252 C ALA A 18 -3.751 -9.133 3.535 1.00 0.00 C ATOM 253 O ALA A 18 -4.723 -9.823 3.231 1.00 0.00 O ATOM 254 CB ALA A 18 -4.471 -7.086 4.776 1.00 0.00 C ATOM 0 H ALA A 18 -1.983 -7.228 5.083 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.185 -9.035 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.493 -7.282 4.451 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.488 -6.603 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.980 -6.432 4.056 1.00 0.00 H new ATOM 260 N TYR A 19 -2.704 -8.978 2.729 1.00 0.00 N ATOM 261 CA TYR A 19 -2.649 -9.628 1.423 1.00 0.00 C ATOM 262 C TYR A 19 -1.309 -10.340 1.214 1.00 0.00 C ATOM 263 O TYR A 19 -0.526 -9.954 0.346 1.00 0.00 O ATOM 264 CB TYR A 19 -2.860 -8.603 0.299 1.00 0.00 C ATOM 265 CG TYR A 19 -4.115 -7.769 0.443 1.00 0.00 C ATOM 266 CD1 TYR A 19 -5.357 -8.286 0.101 1.00 0.00 C ATOM 267 CD2 TYR A 19 -4.053 -6.463 0.919 1.00 0.00 C ATOM 268 CE1 TYR A 19 -6.504 -7.526 0.233 1.00 0.00 C ATOM 269 CE2 TYR A 19 -5.194 -5.699 1.051 1.00 0.00 C ATOM 270 CZ TYR A 19 -6.417 -6.235 0.708 1.00 0.00 C ATOM 271 OH TYR A 19 -7.557 -5.477 0.848 1.00 0.00 O ATOM 0 H TYR A 19 -1.887 -8.411 2.955 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.449 -10.368 1.393 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.998 -7.937 0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.895 -9.129 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.428 -9.296 -0.274 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.096 -6.041 1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.464 -7.942 -0.035 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.130 -4.686 1.421 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.321 -4.592 1.196 1.00 0.00 H new ATOM 280 N PRO A 20 -1.022 -11.399 1.993 1.00 0.00 N ATOM 281 CA PRO A 20 0.217 -12.165 1.829 1.00 0.00 C ATOM 282 C PRO A 20 0.168 -13.039 0.582 1.00 0.00 C ATOM 283 O PRO A 20 1.202 -13.425 0.032 1.00 0.00 O ATOM 284 CB PRO A 20 0.278 -13.026 3.090 1.00 0.00 C ATOM 285 CG PRO A 20 -1.138 -13.172 3.531 1.00 0.00 C ATOM 286 CD PRO A 20 -1.858 -11.927 3.088 1.00 0.00 C ATOM 0 HA PRO A 20 1.090 -11.524 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 20 0.728 -13.997 2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.884 -12.552 3.862 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.592 -14.059 3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.196 -13.289 4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -2.868 -12.151 2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.949 -11.208 3.902 1.00 0.00 H new ATOM 291 N ASP A 21 -1.050 -13.333 0.139 1.00 0.00 N ATOM 292 CA ASP A 21 -1.276 -14.145 -1.049 1.00 0.00 C ATOM 293 C ASP A 21 -1.373 -13.269 -2.289 1.00 0.00 C ATOM 294 O ASP A 21 -1.913 -13.684 -3.315 1.00 0.00 O ATOM 295 CB ASP A 21 -2.562 -14.967 -0.901 1.00 0.00 C ATOM 296 CG ASP A 21 -2.492 -15.965 0.234 1.00 0.00 C ATOM 297 OD1 ASP A 21 -1.868 -17.031 0.054 1.00 0.00 O ATOM 298 OD2 ASP A 21 -3.067 -15.696 1.309 1.00 0.00 O ATOM 0 H ASP A 21 -1.906 -13.015 0.593 1.00 0.00 H new ATOM 0 HA ASP A 21 -0.429 -14.822 -1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.402 -14.292 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.759 -15.497 -1.833 1.00 0.00 H new ATOM 302 N LEU A 22 -0.865 -12.052 -2.191 1.00 0.00 N ATOM 303 CA LEU A 22 -0.938 -11.114 -3.294 1.00 0.00 C ATOM 304 C LEU A 22 0.463 -10.655 -3.680 1.00 0.00 C ATOM 305 O LEU A 22 1.147 -9.986 -2.905 1.00 0.00 O ATOM 306 CB LEU A 22 -1.812 -9.915 -2.905 1.00 0.00 C ATOM 307 CG LEU A 22 -2.642 -9.295 -4.037 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.553 -8.210 -3.489 1.00 0.00 C ATOM 309 CD2 LEU A 22 -1.748 -8.725 -5.129 1.00 0.00 C ATOM 0 H LEU A 22 -0.398 -11.692 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.390 -11.607 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.491 -10.227 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.168 -9.141 -2.487 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.252 -10.085 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.136 -7.779 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.227 -8.641 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.951 -7.431 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.366 -8.293 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.106 -7.952 -4.707 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.132 -9.521 -5.547 1.00 0.00 H new ATOM 320 N ASP A 23 0.885 -11.049 -4.873 1.00 0.00 N ATOM 321 CA ASP A 23 2.178 -10.648 -5.415 1.00 0.00 C ATOM 322 C ASP A 23 2.228 -9.137 -5.633 1.00 0.00 C ATOM 323 O ASP A 23 1.395 -8.580 -6.342 1.00 0.00 O ATOM 324 CB ASP A 23 2.435 -11.377 -6.737 1.00 0.00 C ATOM 325 CG ASP A 23 3.710 -10.928 -7.416 1.00 0.00 C ATOM 326 OD1 ASP A 23 4.775 -11.517 -7.143 1.00 0.00 O ATOM 327 OD2 ASP A 23 3.649 -9.990 -8.235 1.00 0.00 O ATOM 0 H ASP A 23 0.344 -11.653 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 23 2.954 -10.917 -4.698 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.486 -12.450 -6.551 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.593 -11.210 -7.409 1.00 0.00 H new ATOM 331 N PRO A 24 3.210 -8.456 -5.026 1.00 0.00 N ATOM 332 CA PRO A 24 3.320 -6.996 -5.102 1.00 0.00 C ATOM 333 C PRO A 24 3.865 -6.496 -6.442 1.00 0.00 C ATOM 334 O PRO A 24 3.835 -5.302 -6.723 1.00 0.00 O ATOM 335 CB PRO A 24 4.298 -6.666 -3.976 1.00 0.00 C ATOM 336 CG PRO A 24 5.157 -7.879 -3.857 1.00 0.00 C ATOM 337 CD PRO A 24 4.280 -9.052 -4.205 1.00 0.00 C ATOM 0 HA PRO A 24 2.345 -6.517 -5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.891 -5.782 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.773 -6.459 -3.043 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.011 -7.818 -4.531 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.555 -7.977 -2.847 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.831 -9.814 -4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.880 -9.532 -3.312 1.00 0.00 H new ATOM 342 N LYS A 25 4.356 -7.410 -7.270 1.00 0.00 N ATOM 343 CA LYS A 25 4.935 -7.039 -8.556 1.00 0.00 C ATOM 344 C LYS A 25 3.837 -6.860 -9.599 1.00 0.00 C ATOM 345 O LYS A 25 3.979 -6.084 -10.541 1.00 0.00 O ATOM 346 CB LYS A 25 5.931 -8.107 -9.020 1.00 0.00 C ATOM 347 CG LYS A 25 7.123 -8.286 -8.094 1.00 0.00 C ATOM 348 CD LYS A 25 8.152 -7.182 -8.281 1.00 0.00 C ATOM 349 CE LYS A 25 9.375 -7.400 -7.400 1.00 0.00 C ATOM 350 NZ LYS A 25 9.990 -8.737 -7.613 1.00 0.00 N ATOM 0 H LYS A 25 4.365 -8.411 -7.075 1.00 0.00 H new ATOM 0 HA LYS A 25 5.464 -6.094 -8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.409 -9.060 -9.112 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.293 -7.844 -10.014 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.782 -8.294 -7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.589 -9.253 -8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.458 -7.143 -9.326 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.700 -6.219 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.113 -6.625 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.090 -7.296 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.907 -8.779 -7.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.361 -9.473 -7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.132 -8.896 -8.631 1.00 0.00 H new ATOM 360 N THR A 26 2.737 -7.583 -9.417 1.00 0.00 N ATOM 361 CA THR A 26 1.601 -7.508 -10.327 1.00 0.00 C ATOM 362 C THR A 26 0.610 -6.424 -9.870 1.00 0.00 C ATOM 363 O THR A 26 -0.531 -6.351 -10.344 1.00 0.00 O ATOM 364 CB THR A 26 0.898 -8.889 -10.442 1.00 0.00 C ATOM 365 OG1 THR A 26 -0.118 -8.874 -11.457 1.00 0.00 O ATOM 366 CG2 THR A 26 0.286 -9.309 -9.114 1.00 0.00 C ATOM 0 H THR A 26 2.609 -8.232 -8.641 1.00 0.00 H new ATOM 0 HA THR A 26 1.971 -7.234 -11.315 1.00 0.00 H new ATOM 0 HB THR A 26 1.663 -9.614 -10.721 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.600 -8.022 -11.424 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.198 -10.279 -9.227 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.069 -9.380 -8.359 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.452 -8.569 -8.803 1.00 0.00 H new ATOM 374 N VAL A 27 1.058 -5.568 -8.959 1.00 0.00 N ATOM 375 CA VAL A 27 0.231 -4.482 -8.458 1.00 0.00 C ATOM 376 C VAL A 27 0.693 -3.150 -9.031 1.00 0.00 C ATOM 377 O VAL A 27 1.841 -2.750 -8.847 1.00 0.00 O ATOM 378 CB VAL A 27 0.256 -4.387 -6.915 1.00 0.00 C ATOM 379 CG1 VAL A 27 -0.719 -3.326 -6.442 1.00 0.00 C ATOM 380 CG2 VAL A 27 -0.062 -5.733 -6.279 1.00 0.00 C ATOM 0 H VAL A 27 1.993 -5.607 -8.553 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.789 -4.700 -8.776 1.00 0.00 H new ATOM 0 HB VAL A 27 1.261 -4.102 -6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.693 -3.267 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.439 -2.361 -6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.726 -3.586 -6.768 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.038 -5.637 -5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.054 -6.058 -6.592 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.678 -6.469 -6.595 1.00 0.00 H new ATOM 390 N ARG A 28 -0.193 -2.474 -9.742 1.00 0.00 N ATOM 391 CA ARG A 28 0.097 -1.136 -10.222 1.00 0.00 C ATOM 392 C ARG A 28 -0.408 -0.115 -9.214 1.00 0.00 C ATOM 393 O ARG A 28 -1.078 -0.484 -8.245 1.00 0.00 O ATOM 394 CB ARG A 28 -0.552 -0.889 -11.585 1.00 0.00 C ATOM 395 CG ARG A 28 -0.020 -1.789 -12.688 1.00 0.00 C ATOM 396 CD ARG A 28 -0.749 -1.543 -13.998 1.00 0.00 C ATOM 397 NE ARG A 28 -0.611 -0.158 -14.457 1.00 0.00 N ATOM 398 CZ ARG A 28 -1.376 0.396 -15.398 1.00 0.00 C ATOM 399 NH1 ARG A 28 -2.375 -0.292 -15.938 1.00 0.00 N ATOM 400 NH2 ARG A 28 -1.157 1.651 -15.774 1.00 0.00 N ATOM 0 H ARG A 28 -1.115 -2.828 -9.998 1.00 0.00 H new ATOM 0 HA ARG A 28 1.176 -1.035 -10.338 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.629 -1.035 -11.497 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.394 0.151 -11.869 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.047 -1.611 -12.823 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.134 -2.833 -12.396 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.359 -2.217 -14.761 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.806 -1.779 -13.874 1.00 0.00 H new ATOM 0 HE ARG A 28 0.115 0.418 -14.030 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.559 -1.248 -15.633 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.958 0.135 -16.658 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -0.405 2.189 -15.343 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.741 2.077 -16.494 1.00 0.00 H new ATOM 411 N PHE A 29 -0.105 1.152 -9.439 1.00 0.00 N ATOM 412 CA PHE A 29 -0.529 2.205 -8.525 1.00 0.00 C ATOM 413 C PHE A 29 -2.049 2.232 -8.405 1.00 0.00 C ATOM 414 O PHE A 29 -2.591 2.375 -7.310 1.00 0.00 O ATOM 415 CB PHE A 29 -0.005 3.567 -8.987 1.00 0.00 C ATOM 416 CG PHE A 29 1.495 3.638 -9.038 1.00 0.00 C ATOM 417 CD1 PHE A 29 2.236 3.758 -7.874 1.00 0.00 C ATOM 418 CD2 PHE A 29 2.163 3.577 -10.250 1.00 0.00 C ATOM 419 CE1 PHE A 29 3.615 3.814 -7.918 1.00 0.00 C ATOM 420 CE2 PHE A 29 3.541 3.635 -10.299 1.00 0.00 C ATOM 421 CZ PHE A 29 4.269 3.753 -9.131 1.00 0.00 C ATOM 0 H PHE A 29 0.431 1.478 -10.243 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.109 1.991 -7.542 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.407 3.787 -9.976 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.376 4.339 -8.313 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.730 3.808 -6.921 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.599 3.483 -11.166 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.181 3.906 -7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.050 3.588 -11.250 1.00 0.00 H new ATOM 0 HZ PHE A 29 5.347 3.797 -9.167 1.00 0.00 H new ATOM 430 N THR A 30 -2.727 2.064 -9.534 1.00 0.00 N ATOM 431 CA THR A 30 -4.181 2.069 -9.563 1.00 0.00 C ATOM 432 C THR A 30 -4.756 0.899 -8.757 1.00 0.00 C ATOM 433 O THR A 30 -5.743 1.064 -8.039 1.00 0.00 O ATOM 434 CB THR A 30 -4.722 2.040 -11.016 1.00 0.00 C ATOM 435 OG1 THR A 30 -6.154 2.124 -11.018 1.00 0.00 O ATOM 436 CG2 THR A 30 -4.282 0.783 -11.757 1.00 0.00 C ATOM 0 H THR A 30 -2.289 1.922 -10.444 1.00 0.00 H new ATOM 0 HA THR A 30 -4.508 3.000 -9.099 1.00 0.00 H new ATOM 0 HB THR A 30 -4.305 2.903 -11.535 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.481 2.106 -11.942 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.681 0.800 -12.771 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.193 0.746 -11.796 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.656 -0.097 -11.234 1.00 0.00 H new ATOM 444 N ASP A 31 -4.120 -0.272 -8.847 1.00 0.00 N ATOM 445 CA ASP A 31 -4.596 -1.452 -8.125 1.00 0.00 C ATOM 446 C ASP A 31 -4.422 -1.247 -6.636 1.00 0.00 C ATOM 447 O ASP A 31 -5.349 -1.443 -5.849 1.00 0.00 O ATOM 448 CB ASP A 31 -3.829 -2.719 -8.525 1.00 0.00 C ATOM 449 CG ASP A 31 -3.856 -3.004 -10.009 1.00 0.00 C ATOM 450 OD1 ASP A 31 -4.945 -3.283 -10.548 1.00 0.00 O ATOM 451 OD2 ASP A 31 -2.781 -2.961 -10.640 1.00 0.00 O ATOM 0 H ASP A 31 -3.282 -0.427 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.647 -1.582 -8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.793 -2.623 -8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.251 -3.571 -7.993 1.00 0.00 H new ATOM 455 N MET A 32 -3.219 -0.838 -6.260 1.00 0.00 N ATOM 456 CA MET A 32 -2.875 -0.640 -4.864 1.00 0.00 C ATOM 457 C MET A 32 -3.726 0.471 -4.265 1.00 0.00 C ATOM 458 O MET A 32 -4.112 0.406 -3.103 1.00 0.00 O ATOM 459 CB MET A 32 -1.393 -0.291 -4.730 1.00 0.00 C ATOM 460 CG MET A 32 -0.789 -0.712 -3.404 1.00 0.00 C ATOM 461 SD MET A 32 0.883 -0.083 -3.173 1.00 0.00 S ATOM 462 CE MET A 32 0.552 1.666 -3.006 1.00 0.00 C ATOM 0 H MET A 32 -2.460 -0.636 -6.911 1.00 0.00 H new ATOM 0 HA MET A 32 -3.071 -1.566 -4.323 1.00 0.00 H new ATOM 0 HB2 MET A 32 -0.841 -0.769 -5.539 1.00 0.00 H new ATOM 0 HB3 MET A 32 -1.269 0.785 -4.851 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.422 -0.356 -2.591 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.775 -1.800 -3.345 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.411 2.235 -3.363 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.327 1.928 -3.595 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.370 1.903 -1.958 1.00 0.00 H new ATOM 470 N HIS A 33 -4.037 1.475 -5.082 1.00 0.00 N ATOM 471 CA HIS A 33 -4.816 2.629 -4.641 1.00 0.00 C ATOM 472 C HIS A 33 -6.202 2.209 -4.162 1.00 0.00 C ATOM 473 O HIS A 33 -6.810 2.887 -3.339 1.00 0.00 O ATOM 474 CB HIS A 33 -4.951 3.656 -5.773 1.00 0.00 C ATOM 475 CG HIS A 33 -5.437 4.999 -5.314 1.00 0.00 C ATOM 476 ND1 HIS A 33 -6.748 5.411 -5.412 1.00 0.00 N ATOM 477 CD2 HIS A 33 -4.769 6.022 -4.737 1.00 0.00 C ATOM 478 CE1 HIS A 33 -6.862 6.629 -4.915 1.00 0.00 C ATOM 479 NE2 HIS A 33 -5.675 7.022 -4.498 1.00 0.00 N ATOM 0 H HIS A 33 -3.758 1.512 -6.062 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.283 3.085 -3.806 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.983 3.777 -6.260 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.639 3.268 -6.524 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.511 4.861 -5.807 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.714 6.047 -4.506 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -7.774 7.206 -4.860 1.00 0.00 H new ATOM 487 N GLN A 34 -6.696 1.091 -4.675 1.00 0.00 N ATOM 488 CA GLN A 34 -8.002 0.589 -4.273 1.00 0.00 C ATOM 489 C GLN A 34 -7.925 -0.012 -2.881 1.00 0.00 C ATOM 490 O GLN A 34 -8.561 0.468 -1.946 1.00 0.00 O ATOM 491 CB GLN A 34 -8.497 -0.470 -5.260 1.00 0.00 C ATOM 492 CG GLN A 34 -9.783 -1.153 -4.821 1.00 0.00 C ATOM 493 CD GLN A 34 -10.239 -2.230 -5.786 1.00 0.00 C ATOM 494 OE1 GLN A 34 -9.432 -2.841 -6.486 1.00 0.00 O ATOM 495 NE2 GLN A 34 -11.537 -2.486 -5.808 1.00 0.00 N ATOM 0 H GLN A 34 -6.215 0.517 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.703 1.424 -4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -8.656 -0.003 -6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.721 -1.224 -5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.636 -1.594 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -10.570 -0.405 -4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.172 -1.956 -5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.903 -3.214 -6.422 1.00 0.00 H new ATOM 502 N TRP A 35 -7.094 -1.033 -2.751 1.00 0.00 N ATOM 503 CA TRP A 35 -6.979 -1.776 -1.503 1.00 0.00 C ATOM 504 C TRP A 35 -6.469 -0.889 -0.375 1.00 0.00 C ATOM 505 O TRP A 35 -6.899 -1.020 0.771 1.00 0.00 O ATOM 506 CB TRP A 35 -6.040 -2.967 -1.686 1.00 0.00 C ATOM 507 CG TRP A 35 -6.344 -3.780 -2.905 1.00 0.00 C ATOM 508 CD1 TRP A 35 -7.573 -4.197 -3.330 1.00 0.00 C ATOM 509 CD2 TRP A 35 -5.398 -4.287 -3.854 1.00 0.00 C ATOM 510 NE1 TRP A 35 -7.449 -4.918 -4.491 1.00 0.00 N ATOM 511 CE2 TRP A 35 -6.126 -4.992 -4.830 1.00 0.00 C ATOM 512 CE3 TRP A 35 -4.007 -4.211 -3.975 1.00 0.00 C ATOM 513 CZ2 TRP A 35 -5.511 -5.615 -5.912 1.00 0.00 C ATOM 514 CZ3 TRP A 35 -3.400 -4.834 -5.049 1.00 0.00 C ATOM 515 CH2 TRP A 35 -4.151 -5.528 -6.005 1.00 0.00 C ATOM 0 H TRP A 35 -6.485 -1.369 -3.497 1.00 0.00 H new ATOM 0 HA TRP A 35 -7.973 -2.133 -1.234 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -5.013 -2.605 -1.746 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.101 -3.608 -0.806 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.506 -3.990 -2.826 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.219 -5.332 -5.016 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.419 -3.676 -3.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.089 -6.149 -6.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -2.326 -4.784 -5.153 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -3.645 -6.004 -6.832 1.00 0.00 H new ATOM 525 N ILE A 36 -5.559 0.018 -0.714 1.00 0.00 N ATOM 526 CA ILE A 36 -4.943 0.891 0.274 1.00 0.00 C ATOM 527 C ILE A 36 -5.941 1.956 0.746 1.00 0.00 C ATOM 528 O ILE A 36 -5.915 2.371 1.902 1.00 0.00 O ATOM 529 CB ILE A 36 -3.640 1.541 -0.294 1.00 0.00 C ATOM 530 CG1 ILE A 36 -2.631 1.861 0.821 1.00 0.00 C ATOM 531 CG2 ILE A 36 -3.940 2.797 -1.106 1.00 0.00 C ATOM 532 CD1 ILE A 36 -3.000 3.042 1.691 1.00 0.00 C ATOM 0 H ILE A 36 -5.232 0.167 -1.669 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.660 0.290 1.139 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.192 0.804 -0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.520 0.981 1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.658 2.052 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.008 3.218 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.588 2.542 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.439 3.530 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.230 3.191 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.080 3.937 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.956 2.850 2.179 1.00 0.00 H new ATOM 543 N CYS A 37 -6.858 2.352 -0.136 1.00 0.00 N ATOM 544 CA CYS A 37 -7.800 3.420 0.179 1.00 0.00 C ATOM 545 C CYS A 37 -8.781 2.977 1.257 1.00 0.00 C ATOM 546 O CYS A 37 -9.112 3.750 2.158 1.00 0.00 O ATOM 547 CB CYS A 37 -8.565 3.859 -1.074 1.00 0.00 C ATOM 548 SG CYS A 37 -9.607 5.321 -0.842 1.00 0.00 S ATOM 0 H CYS A 37 -6.967 1.951 -1.068 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.227 4.268 0.554 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.848 4.062 -1.870 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.190 3.032 -1.411 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.207 5.608 -1.959 1.00 0.00 H new ATOM 553 N ASP A 38 -9.237 1.735 1.179 1.00 0.00 N ATOM 554 CA ASP A 38 -10.197 1.231 2.147 1.00 0.00 C ATOM 555 C ASP A 38 -9.567 0.193 3.071 1.00 0.00 C ATOM 556 O ASP A 38 -10.251 -0.711 3.557 1.00 0.00 O ATOM 557 CB ASP A 38 -11.442 0.655 1.457 1.00 0.00 C ATOM 558 CG ASP A 38 -11.146 -0.488 0.502 1.00 0.00 C ATOM 559 OD1 ASP A 38 -10.955 -1.635 0.966 1.00 0.00 O ATOM 560 OD2 ASP A 38 -11.145 -0.249 -0.720 1.00 0.00 O ATOM 0 H ASP A 38 -8.960 1.064 0.462 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.511 2.078 2.757 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.139 0.307 2.219 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -11.943 1.453 0.908 1.00 0.00 H new ATOM 564 N LEU A 39 -8.261 0.328 3.312 1.00 0.00 N ATOM 565 CA LEU A 39 -7.586 -0.492 4.314 1.00 0.00 C ATOM 566 C LEU A 39 -8.273 -0.319 5.658 1.00 0.00 C ATOM 567 O LEU A 39 -8.661 0.787 6.034 1.00 0.00 O ATOM 568 CB LEU A 39 -6.111 -0.102 4.459 1.00 0.00 C ATOM 569 CG LEU A 39 -5.167 -0.628 3.384 1.00 0.00 C ATOM 570 CD1 LEU A 39 -3.766 -0.088 3.614 1.00 0.00 C ATOM 571 CD2 LEU A 39 -5.156 -2.145 3.383 1.00 0.00 C ATOM 0 H LEU A 39 -7.656 0.993 2.830 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.640 -1.530 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.044 0.986 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.757 -0.454 5.428 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.520 -0.288 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.098 -0.469 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.785 1.001 3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.409 -0.408 4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.477 -2.503 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.822 -2.507 4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.161 -2.516 3.184 1.00 0.00 H new ATOM 582 N GLU A 40 -8.403 -1.425 6.375 1.00 0.00 N ATOM 583 CA GLU A 40 -9.126 -1.464 7.640 1.00 0.00 C ATOM 584 C GLU A 40 -8.520 -0.502 8.662 1.00 0.00 C ATOM 585 O GLU A 40 -9.212 -0.031 9.565 1.00 0.00 O ATOM 586 CB GLU A 40 -9.113 -2.887 8.196 1.00 0.00 C ATOM 587 CG GLU A 40 -10.317 -3.223 9.057 1.00 0.00 C ATOM 588 CD GLU A 40 -11.613 -3.172 8.279 1.00 0.00 C ATOM 589 OE1 GLU A 40 -11.880 -4.116 7.504 1.00 0.00 O ATOM 590 OE2 GLU A 40 -12.365 -2.188 8.427 1.00 0.00 O ATOM 0 H GLU A 40 -8.010 -2.324 6.096 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.153 -1.150 7.452 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.065 -3.591 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -8.207 -3.028 8.785 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.190 -4.219 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.370 -2.524 9.892 1.00 0.00 H new ATOM 595 N ASP A 41 -7.230 -0.213 8.514 1.00 0.00 N ATOM 596 CA ASP A 41 -6.541 0.688 9.431 1.00 0.00 C ATOM 597 C ASP A 41 -6.158 1.999 8.756 1.00 0.00 C ATOM 598 O ASP A 41 -5.650 2.911 9.409 1.00 0.00 O ATOM 599 CB ASP A 41 -5.283 0.033 10.008 1.00 0.00 C ATOM 600 CG ASP A 41 -5.597 -1.037 11.033 1.00 0.00 C ATOM 601 OD1 ASP A 41 -5.915 -0.681 12.186 1.00 0.00 O ATOM 602 OD2 ASP A 41 -5.512 -2.236 10.697 1.00 0.00 O ATOM 0 H ASP A 41 -6.643 -0.589 7.770 1.00 0.00 H new ATOM 0 HA ASP A 41 -7.240 0.903 10.239 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.703 -0.406 9.197 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.658 0.799 10.468 1.00 0.00 H new ATOM 606 N PHE A 42 -6.395 2.109 7.455 1.00 0.00 N ATOM 607 CA PHE A 42 -6.020 3.321 6.739 1.00 0.00 C ATOM 608 C PHE A 42 -7.160 4.324 6.743 1.00 0.00 C ATOM 609 O PHE A 42 -8.319 3.967 6.527 1.00 0.00 O ATOM 610 CB PHE A 42 -5.603 3.031 5.298 1.00 0.00 C ATOM 611 CG PHE A 42 -5.191 4.267 4.549 1.00 0.00 C ATOM 612 CD1 PHE A 42 -3.925 4.797 4.710 1.00 0.00 C ATOM 613 CD2 PHE A 42 -6.079 4.904 3.697 1.00 0.00 C ATOM 614 CE1 PHE A 42 -3.547 5.940 4.034 1.00 0.00 C ATOM 615 CE2 PHE A 42 -5.708 6.046 3.018 1.00 0.00 C ATOM 616 CZ PHE A 42 -4.440 6.565 3.188 1.00 0.00 C ATOM 0 H PHE A 42 -6.836 1.389 6.883 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.162 3.742 7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -4.776 2.321 5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.431 2.554 4.774 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -3.223 4.312 5.372 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.072 4.502 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.554 6.344 4.167 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.408 6.533 2.355 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.147 7.460 2.659 1.00 0.00 H new ATOM 625 N ASP A 43 -6.812 5.577 6.972 1.00 0.00 N ATOM 626 CA ASP A 43 -7.786 6.653 7.029 1.00 0.00 C ATOM 627 C ASP A 43 -7.052 7.986 7.060 1.00 0.00 C ATOM 628 O ASP A 43 -6.760 8.514 8.130 1.00 0.00 O ATOM 629 CB ASP A 43 -8.676 6.486 8.268 1.00 0.00 C ATOM 630 CG ASP A 43 -9.717 7.574 8.408 1.00 0.00 C ATOM 631 OD1 ASP A 43 -10.527 7.758 7.474 1.00 0.00 O ATOM 632 OD2 ASP A 43 -9.747 8.231 9.463 1.00 0.00 O ATOM 0 H ASP A 43 -5.849 5.878 7.123 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.426 6.624 6.147 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.176 5.519 8.220 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.048 6.477 9.159 1.00 0.00 H new ATOM 636 N ASP A 44 -6.726 8.513 5.889 1.00 0.00 N ATOM 637 CA ASP A 44 -5.905 9.716 5.813 1.00 0.00 C ATOM 638 C ASP A 44 -6.448 10.699 4.778 1.00 0.00 C ATOM 639 O ASP A 44 -7.263 11.562 5.101 1.00 0.00 O ATOM 640 CB ASP A 44 -4.448 9.350 5.492 1.00 0.00 C ATOM 641 CG ASP A 44 -3.499 10.530 5.583 1.00 0.00 C ATOM 642 OD1 ASP A 44 -3.894 11.587 6.109 1.00 0.00 O ATOM 643 OD2 ASP A 44 -2.340 10.402 5.145 1.00 0.00 O ATOM 0 H ASP A 44 -7.013 8.133 4.987 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.940 10.205 6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.116 8.572 6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.399 8.930 4.487 1.00 0.00 H new ATOM 647 N ASP A 45 -6.022 10.552 3.529 1.00 0.00 N ATOM 648 CA ASP A 45 -6.389 11.503 2.487 1.00 0.00 C ATOM 649 C ASP A 45 -6.560 10.785 1.151 1.00 0.00 C ATOM 650 O ASP A 45 -5.596 10.286 0.584 1.00 0.00 O ATOM 651 CB ASP A 45 -5.308 12.580 2.365 1.00 0.00 C ATOM 652 CG ASP A 45 -5.761 13.779 1.562 1.00 0.00 C ATOM 653 OD1 ASP A 45 -6.025 13.629 0.351 1.00 0.00 O ATOM 654 OD2 ASP A 45 -5.855 14.880 2.145 1.00 0.00 O ATOM 0 H ASP A 45 -5.425 9.787 3.214 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.335 11.972 2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.014 12.907 3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.423 12.149 1.897 1.00 0.00 H new ATOM 658 N PRO A 46 -7.785 10.726 0.624 1.00 0.00 N ATOM 659 CA PRO A 46 -8.067 10.003 -0.618 1.00 0.00 C ATOM 660 C PRO A 46 -7.681 10.767 -1.884 1.00 0.00 C ATOM 661 O PRO A 46 -7.842 10.251 -2.991 1.00 0.00 O ATOM 662 CB PRO A 46 -9.579 9.809 -0.565 1.00 0.00 C ATOM 663 CG PRO A 46 -10.082 10.978 0.213 1.00 0.00 C ATOM 664 CD PRO A 46 -8.997 11.340 1.196 1.00 0.00 C ATOM 0 HA PRO A 46 -7.487 9.082 -0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.011 9.784 -1.566 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.841 8.868 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.302 11.817 -0.447 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.008 10.729 0.732 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.890 12.420 1.294 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -9.212 10.950 2.191 1.00 0.00 H new ATOM 669 N GLN A 47 -7.170 11.986 -1.743 1.00 0.00 N ATOM 670 CA GLN A 47 -6.887 12.801 -2.916 1.00 0.00 C ATOM 671 C GLN A 47 -5.386 13.023 -3.091 1.00 0.00 C ATOM 672 O GLN A 47 -4.880 13.011 -4.216 1.00 0.00 O ATOM 673 CB GLN A 47 -7.625 14.142 -2.802 1.00 0.00 C ATOM 674 CG GLN A 47 -7.905 14.821 -4.138 1.00 0.00 C ATOM 675 CD GLN A 47 -6.679 15.454 -4.772 1.00 0.00 C ATOM 676 OE1 GLN A 47 -5.777 15.926 -4.081 1.00 0.00 O ATOM 677 NE2 GLN A 47 -6.637 15.466 -6.098 1.00 0.00 N ATOM 0 H GLN A 47 -6.948 12.423 -0.848 1.00 0.00 H new ATOM 0 HA GLN A 47 -7.242 12.271 -3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.571 13.980 -2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.035 14.816 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.321 14.087 -4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.665 15.589 -3.993 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -7.405 15.065 -6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.837 15.877 -6.579 1.00 0.00 H new ATOM 684 N ALA A 48 -4.666 13.185 -1.987 1.00 0.00 N ATOM 685 CA ALA A 48 -3.235 13.473 -2.051 1.00 0.00 C ATOM 686 C ALA A 48 -2.391 12.210 -2.075 1.00 0.00 C ATOM 687 O ALA A 48 -1.281 12.179 -1.535 1.00 0.00 O ATOM 688 CB ALA A 48 -2.800 14.334 -0.891 1.00 0.00 C ATOM 0 H ALA A 48 -5.045 13.123 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.076 14.010 -2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.731 14.532 -0.966 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.346 15.277 -0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.009 13.816 0.045 1.00 0.00 H new ATOM 694 N SER A 49 -2.903 11.179 -2.707 1.00 0.00 N ATOM 695 CA SER A 49 -2.149 9.955 -2.898 1.00 0.00 C ATOM 696 C SER A 49 -1.229 10.102 -4.102 1.00 0.00 C ATOM 697 O SER A 49 -1.256 9.281 -5.020 1.00 0.00 O ATOM 698 CB SER A 49 -3.117 8.794 -3.095 1.00 0.00 C ATOM 699 OG SER A 49 -4.156 9.153 -3.996 1.00 0.00 O ATOM 0 H SER A 49 -3.844 11.161 -3.101 1.00 0.00 H new ATOM 0 HA SER A 49 -1.535 9.756 -2.019 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.579 7.927 -3.479 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.545 8.504 -2.135 1.00 0.00 H new ATOM 0 HG SER A 49 -4.914 8.542 -3.882 1.00 0.00 H new ATOM 704 N ASN A 50 -0.434 11.173 -4.098 1.00 0.00 N ATOM 705 CA ASN A 50 0.426 11.491 -5.238 1.00 0.00 C ATOM 706 C ASN A 50 1.406 10.357 -5.553 1.00 0.00 C ATOM 707 O ASN A 50 1.602 9.449 -4.737 1.00 0.00 O ATOM 708 CB ASN A 50 1.193 12.805 -5.027 1.00 0.00 C ATOM 709 CG ASN A 50 2.337 12.695 -4.035 1.00 0.00 C ATOM 710 OD1 ASN A 50 3.433 12.247 -4.382 1.00 0.00 O ATOM 711 ND2 ASN A 50 2.111 13.140 -2.811 1.00 0.00 N ATOM 0 H ASN A 50 -0.368 11.832 -3.322 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.238 11.614 -6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.587 13.143 -5.986 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.497 13.569 -4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.857 13.120 -2.115 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.191 13.503 -2.562 1.00 0.00 H new ATOM 717 N GLU A 51 2.031 10.424 -6.718 1.00 0.00 N ATOM 718 CA GLU A 51 2.832 9.317 -7.233 1.00 0.00 C ATOM 719 C GLU A 51 3.956 8.917 -6.275 1.00 0.00 C ATOM 720 O GLU A 51 4.195 7.725 -6.054 1.00 0.00 O ATOM 721 CB GLU A 51 3.398 9.686 -8.602 1.00 0.00 C ATOM 722 CG GLU A 51 2.319 10.094 -9.593 1.00 0.00 C ATOM 723 CD GLU A 51 2.864 10.434 -10.962 1.00 0.00 C ATOM 724 OE1 GLU A 51 3.314 11.582 -11.161 1.00 0.00 O ATOM 725 OE2 GLU A 51 2.830 9.557 -11.849 1.00 0.00 O ATOM 0 H GLU A 51 2.000 11.239 -7.331 1.00 0.00 H new ATOM 0 HA GLU A 51 2.178 8.450 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.109 10.504 -8.488 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.951 8.837 -9.003 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.597 9.283 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.781 10.956 -9.199 1.00 0.00 H new ATOM 730 N LYS A 52 4.617 9.907 -5.686 1.00 0.00 N ATOM 731 CA LYS A 52 5.752 9.657 -4.804 1.00 0.00 C ATOM 732 C LYS A 52 5.298 8.973 -3.511 1.00 0.00 C ATOM 733 O LYS A 52 6.055 8.224 -2.891 1.00 0.00 O ATOM 734 CB LYS A 52 6.482 10.975 -4.516 1.00 0.00 C ATOM 735 CG LYS A 52 7.649 10.846 -3.551 1.00 0.00 C ATOM 736 CD LYS A 52 8.592 12.039 -3.648 1.00 0.00 C ATOM 737 CE LYS A 52 7.889 13.353 -3.344 1.00 0.00 C ATOM 738 NZ LYS A 52 7.620 13.530 -1.893 1.00 0.00 N ATOM 0 H LYS A 52 4.386 10.893 -5.804 1.00 0.00 H new ATOM 0 HA LYS A 52 6.447 8.979 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.847 11.387 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.768 11.691 -4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.272 10.762 -2.532 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.198 9.929 -3.764 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.420 11.903 -2.953 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.020 12.081 -4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.502 14.181 -3.701 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.948 13.394 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.140 14.439 -1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.013 12.756 -1.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.519 13.519 -1.369 1.00 0.00 H new ATOM 748 N ILE A 53 4.053 9.220 -3.124 1.00 0.00 N ATOM 749 CA ILE A 53 3.468 8.559 -1.966 1.00 0.00 C ATOM 750 C ILE A 53 3.258 7.075 -2.250 1.00 0.00 C ATOM 751 O ILE A 53 3.767 6.213 -1.531 1.00 0.00 O ATOM 752 CB ILE A 53 2.115 9.196 -1.577 1.00 0.00 C ATOM 753 CG1 ILE A 53 2.322 10.596 -0.995 1.00 0.00 C ATOM 754 CG2 ILE A 53 1.370 8.312 -0.591 1.00 0.00 C ATOM 755 CD1 ILE A 53 3.050 10.605 0.331 1.00 0.00 C ATOM 0 H ILE A 53 3.429 9.874 -3.596 1.00 0.00 H new ATOM 0 HA ILE A 53 4.164 8.680 -1.136 1.00 0.00 H new ATOM 0 HB ILE A 53 1.511 9.288 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.883 11.197 -1.711 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.351 11.074 -0.869 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.420 8.778 -0.330 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.184 7.338 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.971 8.184 0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.159 11.632 0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.480 10.032 1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.036 10.157 0.208 1.00 0.00 H new ATOM 766 N LEU A 54 2.524 6.788 -3.320 1.00 0.00 N ATOM 767 CA LEU A 54 2.170 5.417 -3.668 1.00 0.00 C ATOM 768 C LEU A 54 3.408 4.597 -4.021 1.00 0.00 C ATOM 769 O LEU A 54 3.468 3.401 -3.734 1.00 0.00 O ATOM 770 CB LEU A 54 1.183 5.409 -4.838 1.00 0.00 C ATOM 771 CG LEU A 54 -0.147 6.116 -4.571 1.00 0.00 C ATOM 772 CD1 LEU A 54 -1.012 6.100 -5.820 1.00 0.00 C ATOM 773 CD2 LEU A 54 -0.878 5.455 -3.412 1.00 0.00 C ATOM 0 H LEU A 54 2.161 7.491 -3.964 1.00 0.00 H new ATOM 0 HA LEU A 54 1.700 4.960 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.660 5.879 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.978 4.374 -5.113 1.00 0.00 H new ATOM 0 HG LEU A 54 0.059 7.152 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.955 6.606 -5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.492 6.613 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.210 5.069 -6.112 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.822 5.971 -3.236 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.075 4.411 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.262 5.510 -2.515 1.00 0.00 H new ATOM 784 N GLU A 55 4.393 5.246 -4.628 1.00 0.00 N ATOM 785 CA GLU A 55 5.621 4.570 -5.027 1.00 0.00 C ATOM 786 C GLU A 55 6.348 4.004 -3.810 1.00 0.00 C ATOM 787 O GLU A 55 6.788 2.857 -3.821 1.00 0.00 O ATOM 788 CB GLU A 55 6.532 5.526 -5.795 1.00 0.00 C ATOM 789 CG GLU A 55 7.754 4.853 -6.390 1.00 0.00 C ATOM 790 CD GLU A 55 8.595 5.807 -7.206 1.00 0.00 C ATOM 791 OE1 GLU A 55 8.278 6.010 -8.398 1.00 0.00 O ATOM 792 OE2 GLU A 55 9.566 6.364 -6.662 1.00 0.00 O ATOM 0 H GLU A 55 4.366 6.240 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 55 5.356 3.741 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.960 5.995 -6.595 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.856 6.323 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.361 4.432 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.437 4.022 -7.020 1.00 0.00 H new ATOM 797 N ALA A 56 6.444 4.806 -2.753 1.00 0.00 N ATOM 798 CA ALA A 56 7.118 4.385 -1.532 1.00 0.00 C ATOM 799 C ALA A 56 6.400 3.202 -0.891 1.00 0.00 C ATOM 800 O ALA A 56 7.032 2.304 -0.336 1.00 0.00 O ATOM 801 CB ALA A 56 7.212 5.545 -0.555 1.00 0.00 C ATOM 0 H ALA A 56 6.063 5.751 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 56 8.127 4.065 -1.793 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.718 5.216 0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.776 6.359 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.210 5.893 -0.306 1.00 0.00 H new ATOM 807 N ILE A 57 5.076 3.198 -0.988 1.00 0.00 N ATOM 808 CA ILE A 57 4.271 2.119 -0.432 1.00 0.00 C ATOM 809 C ILE A 57 4.433 0.847 -1.264 1.00 0.00 C ATOM 810 O ILE A 57 4.500 -0.259 -0.728 1.00 0.00 O ATOM 811 CB ILE A 57 2.783 2.514 -0.369 1.00 0.00 C ATOM 812 CG1 ILE A 57 2.617 3.808 0.428 1.00 0.00 C ATOM 813 CG2 ILE A 57 1.955 1.397 0.251 1.00 0.00 C ATOM 814 CD1 ILE A 57 1.202 4.340 0.433 1.00 0.00 C ATOM 0 H ILE A 57 4.537 3.932 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 57 4.623 1.930 0.582 1.00 0.00 H new ATOM 0 HB ILE A 57 2.424 2.678 -1.385 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.934 3.634 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.280 4.567 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.908 1.697 0.286 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.054 0.494 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.310 1.200 1.263 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.161 5.259 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.887 4.546 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.536 3.599 0.875 1.00 0.00 H new ATOM 825 N LEU A 58 4.512 1.014 -2.576 1.00 0.00 N ATOM 826 CA LEU A 58 4.717 -0.110 -3.477 1.00 0.00 C ATOM 827 C LEU A 58 6.093 -0.731 -3.218 1.00 0.00 C ATOM 828 O LEU A 58 6.231 -1.953 -3.148 1.00 0.00 O ATOM 829 CB LEU A 58 4.577 0.364 -4.934 1.00 0.00 C ATOM 830 CG LEU A 58 4.368 -0.728 -5.997 1.00 0.00 C ATOM 831 CD1 LEU A 58 5.666 -1.455 -6.312 1.00 0.00 C ATOM 832 CD2 LEU A 58 3.301 -1.720 -5.545 1.00 0.00 C ATOM 0 H LEU A 58 4.437 1.919 -3.041 1.00 0.00 H new ATOM 0 HA LEU A 58 3.962 -0.875 -3.297 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.737 1.057 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.472 0.928 -5.196 1.00 0.00 H new ATOM 0 HG LEU A 58 4.029 -0.238 -6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.481 -2.219 -7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.400 -0.743 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.049 -1.925 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.168 -2.485 -6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.613 -2.190 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.359 -1.195 -5.389 1.00 0.00 H new ATOM 843 N LEU A 59 7.096 0.127 -3.043 1.00 0.00 N ATOM 844 CA LEU A 59 8.463 -0.316 -2.782 1.00 0.00 C ATOM 845 C LEU A 59 8.550 -1.130 -1.495 1.00 0.00 C ATOM 846 O LEU A 59 9.123 -2.221 -1.479 1.00 0.00 O ATOM 847 CB LEU A 59 9.408 0.887 -2.696 1.00 0.00 C ATOM 848 CG LEU A 59 9.606 1.663 -4.000 1.00 0.00 C ATOM 849 CD1 LEU A 59 10.500 2.872 -3.767 1.00 0.00 C ATOM 850 CD2 LEU A 59 10.199 0.758 -5.070 1.00 0.00 C ATOM 0 H LEU A 59 6.985 1.140 -3.078 1.00 0.00 H new ATOM 0 HA LEU A 59 8.765 -0.955 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 59 9.027 1.573 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.381 0.539 -2.349 1.00 0.00 H new ATOM 0 HG LEU A 59 8.634 2.015 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.631 3.413 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.039 3.529 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.472 2.541 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.334 1.324 -5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.164 0.379 -4.732 1.00 0.00 H new ATOM 0 HD23 LEU A 59 9.525 -0.079 -5.254 1.00 0.00 H new ATOM 861 N VAL A 60 7.971 -0.608 -0.417 1.00 0.00 N ATOM 862 CA VAL A 60 8.033 -1.292 0.869 1.00 0.00 C ATOM 863 C VAL A 60 7.262 -2.615 0.818 1.00 0.00 C ATOM 864 O VAL A 60 7.666 -3.592 1.442 1.00 0.00 O ATOM 865 CB VAL A 60 7.524 -0.404 2.034 1.00 0.00 C ATOM 866 CG1 VAL A 60 6.067 -0.036 1.855 1.00 0.00 C ATOM 867 CG2 VAL A 60 7.748 -1.091 3.376 1.00 0.00 C ATOM 0 H VAL A 60 7.460 0.275 -0.408 1.00 0.00 H new ATOM 0 HA VAL A 60 9.083 -1.506 1.066 1.00 0.00 H new ATOM 0 HB VAL A 60 8.102 0.520 2.021 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.744 0.586 2.689 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.943 0.514 0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.464 -0.943 1.824 1.00 0.00 H new ATOM 0 HG21 VAL A 60 7.383 -0.450 4.178 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.208 -2.038 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.813 -1.277 3.516 1.00 0.00 H new ATOM 877 N TRP A 61 6.179 -2.659 0.041 1.00 0.00 N ATOM 878 CA TRP A 61 5.423 -3.895 -0.128 1.00 0.00 C ATOM 879 C TRP A 61 6.306 -4.940 -0.803 1.00 0.00 C ATOM 880 O TRP A 61 6.324 -6.104 -0.404 1.00 0.00 O ATOM 881 CB TRP A 61 4.156 -3.655 -0.958 1.00 0.00 C ATOM 882 CG TRP A 61 3.165 -4.789 -0.903 1.00 0.00 C ATOM 883 CD1 TRP A 61 3.297 -5.974 -0.231 1.00 0.00 C ATOM 884 CD2 TRP A 61 1.881 -4.836 -1.537 1.00 0.00 C ATOM 885 NE1 TRP A 61 2.182 -6.751 -0.416 1.00 0.00 N ATOM 886 CE2 TRP A 61 1.298 -6.076 -1.209 1.00 0.00 C ATOM 887 CE3 TRP A 61 1.166 -3.954 -2.349 1.00 0.00 C ATOM 888 CZ2 TRP A 61 0.038 -6.450 -1.661 1.00 0.00 C ATOM 889 CZ3 TRP A 61 -0.087 -4.329 -2.796 1.00 0.00 C ATOM 890 CH2 TRP A 61 -0.640 -5.567 -2.451 1.00 0.00 C ATOM 0 H TRP A 61 5.810 -1.860 -0.475 1.00 0.00 H new ATOM 0 HA TRP A 61 5.117 -4.256 0.854 1.00 0.00 H new ATOM 0 HB2 TRP A 61 3.671 -2.744 -0.607 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.441 -3.485 -1.996 1.00 0.00 H new ATOM 0 HD1 TRP A 61 4.156 -6.257 0.360 1.00 0.00 H new ATOM 0 HE1 TRP A 61 2.037 -7.682 -0.025 1.00 0.00 H new ATOM 0 HE3 TRP A 61 1.584 -2.997 -2.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -0.390 -7.406 -1.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -0.650 -3.654 -3.423 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -1.622 -5.829 -2.817 1.00 0.00 H new ATOM 900 N LEU A 62 7.052 -4.508 -1.814 1.00 0.00 N ATOM 901 CA LEU A 62 7.997 -5.385 -2.494 1.00 0.00 C ATOM 902 C LEU A 62 8.992 -5.960 -1.498 1.00 0.00 C ATOM 903 O LEU A 62 9.139 -7.173 -1.383 1.00 0.00 O ATOM 904 CB LEU A 62 8.770 -4.623 -3.577 1.00 0.00 C ATOM 905 CG LEU A 62 7.931 -4.026 -4.706 1.00 0.00 C ATOM 906 CD1 LEU A 62 8.816 -3.244 -5.662 1.00 0.00 C ATOM 907 CD2 LEU A 62 7.182 -5.116 -5.453 1.00 0.00 C ATOM 0 H LEU A 62 7.020 -3.557 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 62 7.427 -6.190 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.326 -3.816 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.504 -5.299 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 62 7.200 -3.346 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.206 -2.824 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.312 -2.437 -5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.566 -3.909 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.591 -4.669 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.896 -5.821 -5.880 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.521 -5.641 -4.764 1.00 0.00 H new ATOM 918 N ASP A 63 9.645 -5.072 -0.761 1.00 0.00 N ATOM 919 CA ASP A 63 10.716 -5.456 0.155 1.00 0.00 C ATOM 920 C ASP A 63 10.206 -6.350 1.289 1.00 0.00 C ATOM 921 O ASP A 63 10.915 -7.244 1.745 1.00 0.00 O ATOM 922 CB ASP A 63 11.379 -4.198 0.724 1.00 0.00 C ATOM 923 CG ASP A 63 12.595 -4.504 1.579 1.00 0.00 C ATOM 924 OD1 ASP A 63 13.535 -5.160 1.080 1.00 0.00 O ATOM 925 OD2 ASP A 63 12.623 -4.078 2.751 1.00 0.00 O ATOM 0 H ASP A 63 9.451 -4.071 -0.779 1.00 0.00 H new ATOM 0 HA ASP A 63 11.449 -6.035 -0.406 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.674 -3.546 -0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 63 10.651 -3.648 1.321 1.00 0.00 H new ATOM 929 N GLU A 64 8.978 -6.117 1.735 1.00 0.00 N ATOM 930 CA GLU A 64 8.398 -6.914 2.813 1.00 0.00 C ATOM 931 C GLU A 64 7.928 -8.280 2.311 1.00 0.00 C ATOM 932 O GLU A 64 8.007 -9.276 3.032 1.00 0.00 O ATOM 933 CB GLU A 64 7.225 -6.176 3.465 1.00 0.00 C ATOM 934 CG GLU A 64 7.629 -4.923 4.227 1.00 0.00 C ATOM 935 CD GLU A 64 8.691 -5.195 5.274 1.00 0.00 C ATOM 936 OE1 GLU A 64 8.427 -5.988 6.204 1.00 0.00 O ATOM 937 OE2 GLU A 64 9.798 -4.629 5.166 1.00 0.00 O ATOM 0 H GLU A 64 8.366 -5.387 1.371 1.00 0.00 H new ATOM 0 HA GLU A 64 9.181 -7.070 3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.506 -5.903 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.716 -6.856 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.000 -4.178 3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.750 -4.496 4.709 1.00 0.00 H new ATOM 942 N ALA A 65 7.448 -8.332 1.076 1.00 0.00 N ATOM 943 CA ALA A 65 6.866 -9.559 0.539 1.00 0.00 C ATOM 944 C ALA A 65 7.910 -10.451 -0.123 1.00 0.00 C ATOM 945 O ALA A 65 7.854 -11.674 -0.002 1.00 0.00 O ATOM 946 CB ALA A 65 5.758 -9.233 -0.450 1.00 0.00 C ATOM 0 H ALA A 65 7.449 -7.544 0.428 1.00 0.00 H new ATOM 0 HA ALA A 65 6.449 -10.111 1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.335 -10.159 -0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.978 -8.661 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.166 -8.645 -1.272 1.00 0.00 H new ATOM 952 N GLU A 66 8.855 -9.836 -0.822 1.00 0.00 N ATOM 953 CA GLU A 66 9.860 -10.576 -1.571 1.00 0.00 C ATOM 954 C GLU A 66 10.846 -11.253 -0.621 1.00 0.00 C ATOM 955 O GLU A 66 11.666 -10.544 -0.004 1.00 0.00 O ATOM 956 CB GLU A 66 10.595 -9.636 -2.532 1.00 0.00 C ATOM 957 CG GLU A 66 11.520 -10.341 -3.509 1.00 0.00 C ATOM 958 CD GLU A 66 12.212 -9.371 -4.442 1.00 0.00 C ATOM 959 OE1 GLU A 66 13.306 -8.883 -4.090 1.00 0.00 O ATOM 960 OE2 GLU A 66 11.669 -9.093 -5.533 1.00 0.00 O ATOM 961 OXT GLU A 66 10.801 -12.493 -0.499 1.00 0.00 O ATOM 0 H GLU A 66 8.946 -8.822 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 66 9.363 -11.352 -2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.859 -9.063 -3.096 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.177 -8.922 -1.949 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.269 -10.906 -2.954 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.947 -11.060 -4.095 1.00 0.00 H new TER 966 GLU A 66