USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -154:sc= -16.1! (180deg=-17!) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.0123 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 180:sc= -3.08! USER MOD Single : A 20 HIS : no HE2:sc= -2.59! C(o=-2.6!,f=-5.1!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -170:sc= -0.25 USER MOD Single : A 53 THR OG1 : rot 29:sc= -0.151 USER MOD Single : A 57 HIS : no HE2:sc= -16.8! C(o=-17!,f=-20!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc=0.000505 USER MOD Single : A 87 GLN : amide:sc= -0.157 K(o=-0.16,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 36 N MET A 1 13.971 4.853 -7.591 1.00 0.00 N ATOM 37 CA MET A 1 12.647 4.273 -7.743 1.00 0.00 C ATOM 38 C MET A 1 12.142 4.429 -9.178 1.00 0.00 C ATOM 39 O MET A 1 12.330 5.476 -9.797 1.00 0.00 O ATOM 40 CB MET A 1 11.675 4.959 -6.781 1.00 0.00 C ATOM 41 CG MET A 1 11.538 4.165 -5.481 1.00 0.00 C ATOM 42 SD MET A 1 9.883 4.337 -4.833 1.00 0.00 S ATOM 43 CE MET A 1 8.974 3.400 -6.051 1.00 0.00 C ATOM 0 H1 MET A 1 14.020 5.377 -6.694 1.00 0.00 H new ATOM 0 H2 MET A 1 14.684 4.096 -7.589 1.00 0.00 H new ATOM 0 H3 MET A 1 14.158 5.502 -8.381 1.00 0.00 H new ATOM 0 HA MET A 1 12.708 3.209 -7.513 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.027 5.967 -6.560 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.699 5.059 -7.255 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.759 3.113 -5.662 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.263 4.521 -4.749 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.946 3.759 -6.093 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.441 3.523 -7.028 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.979 2.345 -5.777 1.00 0.00 H new ATOM 53 N ASP A 2 11.509 3.372 -9.667 1.00 0.00 N ATOM 54 CA ASP A 2 10.975 3.379 -11.018 1.00 0.00 C ATOM 55 C ASP A 2 9.698 2.537 -11.062 1.00 0.00 C ATOM 56 O ASP A 2 9.518 1.634 -10.246 1.00 0.00 O ATOM 57 CB ASP A 2 11.973 2.776 -12.008 1.00 0.00 C ATOM 58 CG ASP A 2 13.415 3.262 -11.850 1.00 0.00 C ATOM 59 OD1 ASP A 2 13.737 4.296 -12.474 1.00 0.00 O ATOM 60 OD2 ASP A 2 14.163 2.589 -11.109 1.00 0.00 O ATOM 0 H ASP A 2 11.354 2.506 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 2 10.773 4.414 -11.295 1.00 0.00 H new ATOM 0 HB2 ASP A 2 11.957 1.691 -11.901 1.00 0.00 H new ATOM 0 HB3 ASP A 2 11.638 3.001 -13.021 1.00 0.00 H new ATOM 65 N LEU A 3 8.845 2.862 -12.022 1.00 0.00 N ATOM 66 CA LEU A 3 7.591 2.146 -12.182 1.00 0.00 C ATOM 67 C LEU A 3 7.881 0.662 -12.412 1.00 0.00 C ATOM 68 O LEU A 3 7.262 -0.199 -11.789 1.00 0.00 O ATOM 69 CB LEU A 3 6.746 2.786 -13.286 1.00 0.00 C ATOM 70 CG LEU A 3 5.766 3.872 -12.837 1.00 0.00 C ATOM 71 CD1 LEU A 3 4.482 3.254 -12.278 1.00 0.00 C ATOM 72 CD2 LEU A 3 6.425 4.826 -11.839 1.00 0.00 C ATOM 0 H LEU A 3 8.998 3.611 -12.697 1.00 0.00 H new ATOM 0 HA LEU A 3 6.994 2.217 -11.273 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.419 3.216 -14.028 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.181 1.999 -13.786 1.00 0.00 H new ATOM 0 HG LEU A 3 5.486 4.462 -13.710 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.802 4.047 -11.966 1.00 0.00 H new ATOM 0 HD12 LEU A 3 4.004 2.649 -13.048 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.724 2.625 -11.421 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.707 5.588 -11.536 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.752 4.267 -10.963 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.286 5.304 -12.307 1.00 0.00 H new ATOM 84 N GLU A 4 8.823 0.408 -13.308 1.00 0.00 N ATOM 85 CA GLU A 4 9.203 -0.958 -13.628 1.00 0.00 C ATOM 86 C GLU A 4 9.638 -1.698 -12.362 1.00 0.00 C ATOM 87 O GLU A 4 9.244 -2.842 -12.141 1.00 0.00 O ATOM 88 CB GLU A 4 10.308 -0.986 -14.686 1.00 0.00 C ATOM 89 CG GLU A 4 9.752 -1.405 -16.048 1.00 0.00 C ATOM 90 CD GLU A 4 10.402 -2.704 -16.530 1.00 0.00 C ATOM 91 OE1 GLU A 4 9.954 -3.771 -16.060 1.00 0.00 O ATOM 92 OE2 GLU A 4 11.333 -2.599 -17.357 1.00 0.00 O ATOM 0 H GLU A 4 9.335 1.125 -13.823 1.00 0.00 H new ATOM 0 HA GLU A 4 8.334 -1.468 -14.044 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.767 -0.000 -14.764 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.092 -1.679 -14.380 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.672 -1.538 -15.979 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.929 -0.614 -16.776 1.00 0.00 H new ATOM 99 N THR A 5 10.445 -1.015 -11.563 1.00 0.00 N ATOM 100 CA THR A 5 10.938 -1.594 -10.325 1.00 0.00 C ATOM 101 C THR A 5 9.804 -1.717 -9.305 1.00 0.00 C ATOM 102 O THR A 5 9.777 -2.657 -8.511 1.00 0.00 O ATOM 103 CB THR A 5 12.106 -0.736 -9.833 1.00 0.00 C ATOM 104 OG1 THR A 5 13.263 -1.446 -10.266 1.00 0.00 O ATOM 105 CG2 THR A 5 12.223 -0.726 -8.308 1.00 0.00 C ATOM 0 H THR A 5 10.770 -0.066 -11.749 1.00 0.00 H new ATOM 0 HA THR A 5 11.304 -2.609 -10.482 1.00 0.00 H new ATOM 0 HB THR A 5 11.984 0.285 -10.194 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.068 -0.959 -9.991 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.067 -0.103 -8.012 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.306 -0.325 -7.875 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.379 -1.743 -7.948 1.00 0.00 H new ATOM 113 N LEU A 6 8.894 -0.755 -9.360 1.00 0.00 N ATOM 114 CA LEU A 6 7.760 -0.744 -8.452 1.00 0.00 C ATOM 115 C LEU A 6 6.964 -2.040 -8.621 1.00 0.00 C ATOM 116 O LEU A 6 6.447 -2.586 -7.648 1.00 0.00 O ATOM 117 CB LEU A 6 6.925 0.522 -8.653 1.00 0.00 C ATOM 118 CG LEU A 6 7.355 1.745 -7.840 1.00 0.00 C ATOM 119 CD1 LEU A 6 7.341 3.009 -8.703 1.00 0.00 C ATOM 120 CD2 LEU A 6 6.495 1.899 -6.584 1.00 0.00 C ATOM 0 H LEU A 6 8.919 0.022 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 6 8.101 -0.712 -7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.950 0.786 -9.710 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.888 0.293 -8.406 1.00 0.00 H new ATOM 0 HG LEU A 6 8.382 1.592 -7.509 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.650 3.864 -8.101 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.029 2.886 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.334 3.179 -9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.822 2.776 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.450 2.020 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.599 1.011 -5.960 1.00 0.00 H new ATOM 132 N ARG A 7 6.891 -2.493 -9.864 1.00 0.00 N ATOM 133 CA ARG A 7 6.166 -3.714 -10.173 1.00 0.00 C ATOM 134 C ARG A 7 6.920 -4.931 -9.631 1.00 0.00 C ATOM 135 O ARG A 7 6.313 -5.845 -9.076 1.00 0.00 O ATOM 136 CB ARG A 7 5.973 -3.873 -11.682 1.00 0.00 C ATOM 137 CG ARG A 7 5.917 -2.510 -12.374 1.00 0.00 C ATOM 138 CD ARG A 7 4.833 -2.487 -13.454 1.00 0.00 C ATOM 139 NE ARG A 7 5.456 -2.455 -14.796 1.00 0.00 N ATOM 140 CZ ARG A 7 5.962 -3.530 -15.415 1.00 0.00 C ATOM 141 NH1 ARG A 7 5.922 -4.729 -14.817 1.00 0.00 N ATOM 142 NH2 ARG A 7 6.508 -3.407 -16.633 1.00 0.00 N ATOM 0 H ARG A 7 7.322 -2.037 -10.668 1.00 0.00 H new ATOM 0 HA ARG A 7 5.187 -3.648 -9.698 1.00 0.00 H new ATOM 0 HB2 ARG A 7 6.791 -4.462 -12.097 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.053 -4.423 -11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 7 5.718 -1.732 -11.637 1.00 0.00 H new ATOM 0 HG3 ARG A 7 6.885 -2.285 -12.821 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.196 -3.367 -13.361 1.00 0.00 H new ATOM 0 HD3 ARG A 7 4.193 -1.615 -13.320 1.00 0.00 H new ATOM 0 HE ARG A 7 5.503 -1.558 -15.280 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.506 -4.823 -13.890 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.307 -5.547 -15.289 1.00 0.00 H new ATOM 0 HH21 ARG A 7 6.538 -2.495 -17.089 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.893 -4.225 -17.104 1.00 0.00 H new ATOM 156 N ALA A 8 8.232 -4.902 -9.811 1.00 0.00 N ATOM 157 CA ALA A 8 9.076 -5.990 -9.348 1.00 0.00 C ATOM 158 C ALA A 8 8.917 -6.143 -7.834 1.00 0.00 C ATOM 159 O ALA A 8 8.656 -7.239 -7.341 1.00 0.00 O ATOM 160 CB ALA A 8 10.525 -5.724 -9.759 1.00 0.00 C ATOM 0 H ALA A 8 8.732 -4.141 -10.272 1.00 0.00 H new ATOM 0 HA ALA A 8 8.776 -6.931 -9.808 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.158 -6.541 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.588 -5.653 -10.845 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.863 -4.788 -9.314 1.00 0.00 H new ATOM 166 N ARG A 9 9.082 -5.027 -7.138 1.00 0.00 N ATOM 167 CA ARG A 9 8.961 -5.023 -5.690 1.00 0.00 C ATOM 168 C ARG A 9 7.507 -5.263 -5.279 1.00 0.00 C ATOM 169 O ARG A 9 7.243 -5.915 -4.269 1.00 0.00 O ATOM 170 CB ARG A 9 9.437 -3.694 -5.101 1.00 0.00 C ATOM 171 CG ARG A 9 8.871 -2.511 -5.889 1.00 0.00 C ATOM 172 CD ARG A 9 8.063 -1.583 -4.979 1.00 0.00 C ATOM 173 NE ARG A 9 7.093 -2.371 -4.186 1.00 0.00 N ATOM 174 CZ ARG A 9 5.958 -1.873 -3.676 1.00 0.00 C ATOM 175 NH1 ARG A 9 5.644 -0.586 -3.874 1.00 0.00 N ATOM 176 NH2 ARG A 9 5.138 -2.662 -2.969 1.00 0.00 N ATOM 0 H ARG A 9 9.298 -4.120 -7.550 1.00 0.00 H new ATOM 0 HA ARG A 9 9.589 -5.825 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.127 -3.623 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.526 -3.656 -5.113 1.00 0.00 H new ATOM 0 HG2 ARG A 9 9.686 -1.954 -6.351 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.237 -2.877 -6.696 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.733 -1.039 -4.313 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.537 -0.840 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 9 7.301 -3.355 -4.017 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.268 0.014 -4.413 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.780 -0.206 -3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.377 -3.642 -2.819 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.274 -2.283 -2.581 1.00 0.00 H new ATOM 190 N ARG A 10 6.601 -4.724 -6.082 1.00 0.00 N ATOM 191 CA ARG A 10 5.181 -4.871 -5.813 1.00 0.00 C ATOM 192 C ARG A 10 4.782 -6.348 -5.860 1.00 0.00 C ATOM 193 O ARG A 10 3.897 -6.779 -5.123 1.00 0.00 O ATOM 194 CB ARG A 10 4.344 -4.092 -6.830 1.00 0.00 C ATOM 195 CG ARG A 10 3.849 -2.772 -6.236 1.00 0.00 C ATOM 196 CD ARG A 10 3.670 -1.713 -7.327 1.00 0.00 C ATOM 197 NE ARG A 10 3.334 -0.409 -6.714 1.00 0.00 N ATOM 198 CZ ARG A 10 2.083 0.014 -6.485 1.00 0.00 C ATOM 199 NH1 ARG A 10 1.042 -0.763 -6.816 1.00 0.00 N ATOM 200 NH2 ARG A 10 1.873 1.213 -5.925 1.00 0.00 N ATOM 0 H ARG A 10 6.823 -4.185 -6.919 1.00 0.00 H new ATOM 0 HA ARG A 10 4.989 -4.470 -4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.940 -3.893 -7.721 1.00 0.00 H new ATOM 0 HB3 ARG A 10 3.492 -4.696 -7.144 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.902 -2.933 -5.722 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.560 -2.415 -5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 10 4.585 -1.624 -7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.880 -2.016 -8.014 1.00 0.00 H new ATOM 0 HE ARG A 10 4.103 0.207 -6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.202 -1.676 -7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.090 -0.441 -6.642 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.665 1.804 -5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.921 1.535 -5.751 1.00 0.00 H new ATOM 214 N GLU A 11 5.455 -7.082 -6.734 1.00 0.00 N ATOM 215 CA GLU A 11 5.182 -8.501 -6.887 1.00 0.00 C ATOM 216 C GLU A 11 5.660 -9.269 -5.653 1.00 0.00 C ATOM 217 O GLU A 11 4.926 -10.090 -5.105 1.00 0.00 O ATOM 218 CB GLU A 11 5.829 -9.050 -8.159 1.00 0.00 C ATOM 219 CG GLU A 11 4.771 -9.382 -9.214 1.00 0.00 C ATOM 220 CD GLU A 11 5.415 -9.613 -10.583 1.00 0.00 C ATOM 221 OE1 GLU A 11 6.368 -8.867 -10.894 1.00 0.00 O ATOM 222 OE2 GLU A 11 4.938 -10.529 -11.287 1.00 0.00 O ATOM 0 H GLU A 11 6.189 -6.721 -7.343 1.00 0.00 H new ATOM 0 HA GLU A 11 4.104 -8.636 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.530 -8.318 -8.560 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.404 -9.945 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.219 -10.272 -8.913 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.050 -8.567 -9.280 1.00 0.00 H new ATOM 229 N ALA A 12 6.888 -8.975 -5.252 1.00 0.00 N ATOM 230 CA ALA A 12 7.473 -9.628 -4.092 1.00 0.00 C ATOM 231 C ALA A 12 6.792 -9.111 -2.824 1.00 0.00 C ATOM 232 O ALA A 12 6.597 -9.863 -1.869 1.00 0.00 O ATOM 233 CB ALA A 12 8.984 -9.390 -4.081 1.00 0.00 C ATOM 0 H ALA A 12 7.494 -8.294 -5.709 1.00 0.00 H new ATOM 0 HA ALA A 12 7.313 -10.705 -4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.423 -9.879 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 12 9.424 -9.801 -4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.183 -8.319 -4.034 1.00 0.00 H new ATOM 239 N VAL A 13 6.448 -7.832 -2.854 1.00 0.00 N ATOM 240 CA VAL A 13 5.792 -7.206 -1.718 1.00 0.00 C ATOM 241 C VAL A 13 4.394 -7.803 -1.549 1.00 0.00 C ATOM 242 O VAL A 13 3.923 -7.982 -0.427 1.00 0.00 O ATOM 243 CB VAL A 13 5.777 -5.687 -1.896 1.00 0.00 C ATOM 244 CG1 VAL A 13 4.801 -5.031 -0.916 1.00 0.00 C ATOM 245 CG2 VAL A 13 7.182 -5.102 -1.743 1.00 0.00 C ATOM 0 H VAL A 13 6.611 -7.212 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 13 6.343 -7.407 -0.799 1.00 0.00 H new ATOM 0 HB VAL A 13 5.434 -5.472 -2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.809 -3.951 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.796 -5.414 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 13 5.102 -5.260 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.142 -4.021 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.566 -5.333 -0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.840 -5.535 -2.496 1.00 0.00 H new ATOM 255 N LEU A 14 3.769 -8.095 -2.681 1.00 0.00 N ATOM 256 CA LEU A 14 2.434 -8.668 -2.672 1.00 0.00 C ATOM 257 C LEU A 14 2.447 -9.969 -1.868 1.00 0.00 C ATOM 258 O LEU A 14 1.548 -10.217 -1.066 1.00 0.00 O ATOM 259 CB LEU A 14 1.913 -8.833 -4.101 1.00 0.00 C ATOM 260 CG LEU A 14 1.157 -7.636 -4.682 1.00 0.00 C ATOM 261 CD1 LEU A 14 -0.350 -7.898 -4.706 1.00 0.00 C ATOM 262 CD2 LEU A 14 1.504 -6.350 -3.929 1.00 0.00 C ATOM 0 H LEU A 14 4.163 -7.945 -3.610 1.00 0.00 H new ATOM 0 HA LEU A 14 1.734 -7.995 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.759 -9.054 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.255 -9.701 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 14 1.476 -7.500 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.863 -7.032 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.557 -8.774 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.705 -8.075 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.953 -5.515 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.232 -6.459 -2.879 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.574 -6.159 -4.009 1.00 0.00 H new ATOM 274 N SER A 15 3.478 -10.766 -2.110 1.00 0.00 N ATOM 275 CA SER A 15 3.620 -12.036 -1.418 1.00 0.00 C ATOM 276 C SER A 15 3.924 -11.795 0.062 1.00 0.00 C ATOM 277 O SER A 15 3.481 -12.554 0.922 1.00 0.00 O ATOM 278 CB SER A 15 4.719 -12.889 -2.054 1.00 0.00 C ATOM 279 OG SER A 15 4.222 -14.141 -2.520 1.00 0.00 O ATOM 0 H SER A 15 4.222 -10.557 -2.775 1.00 0.00 H new ATOM 0 HA SER A 15 2.679 -12.580 -1.505 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.165 -12.344 -2.886 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.511 -13.062 -1.325 1.00 0.00 H new ATOM 0 HG SER A 15 4.954 -14.655 -2.921 1.00 0.00 H new ATOM 285 N LEU A 16 4.678 -10.734 0.313 1.00 0.00 N ATOM 286 CA LEU A 16 5.046 -10.383 1.674 1.00 0.00 C ATOM 287 C LEU A 16 3.844 -9.747 2.375 1.00 0.00 C ATOM 288 O LEU A 16 3.586 -10.023 3.545 1.00 0.00 O ATOM 289 CB LEU A 16 6.298 -9.504 1.680 1.00 0.00 C ATOM 290 CG LEU A 16 6.325 -8.383 2.721 1.00 0.00 C ATOM 291 CD1 LEU A 16 7.712 -7.742 2.801 1.00 0.00 C ATOM 292 CD2 LEU A 16 5.232 -7.349 2.442 1.00 0.00 C ATOM 0 H LEU A 16 5.044 -10.107 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 16 5.309 -11.276 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.166 -10.143 1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.409 -9.058 0.692 1.00 0.00 H new ATOM 0 HG LEU A 16 6.115 -8.819 3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.704 -6.948 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.446 -8.497 3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.976 -7.323 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.273 -6.563 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.387 -6.913 1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.256 -7.833 2.475 1.00 0.00 H new ATOM 304 N CYS A 17 3.141 -8.907 1.629 1.00 0.00 N ATOM 305 CA CYS A 17 1.973 -8.229 2.165 1.00 0.00 C ATOM 306 C CYS A 17 0.994 -9.289 2.673 1.00 0.00 C ATOM 307 O CYS A 17 0.366 -9.110 3.716 1.00 0.00 O ATOM 308 CB CYS A 17 1.328 -7.308 1.127 1.00 0.00 C ATOM 309 SG CYS A 17 1.799 -5.570 1.455 1.00 0.00 S ATOM 0 H CYS A 17 3.358 -8.681 0.658 1.00 0.00 H new ATOM 0 HA CYS A 17 2.271 -7.584 2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.646 -7.597 0.125 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.243 -7.412 1.160 1.00 0.00 H new ATOM 0 HG CYS A 17 1.248 -4.796 0.567 1.00 0.00 H new ATOM 315 N ALA A 18 0.893 -10.370 1.913 1.00 0.00 N ATOM 316 CA ALA A 18 0.001 -11.458 2.274 1.00 0.00 C ATOM 317 C ALA A 18 0.485 -12.098 3.577 1.00 0.00 C ATOM 318 O ALA A 18 -0.322 -12.557 4.384 1.00 0.00 O ATOM 319 CB ALA A 18 -0.069 -12.464 1.123 1.00 0.00 C ATOM 0 H ALA A 18 1.415 -10.515 1.049 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.009 -11.085 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.738 -13.281 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.445 -11.968 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.927 -12.861 0.926 1.00 0.00 H new ATOM 325 N ARG A 19 1.799 -12.107 3.742 1.00 0.00 N ATOM 326 CA ARG A 19 2.400 -12.682 4.934 1.00 0.00 C ATOM 327 C ARG A 19 2.055 -11.838 6.163 1.00 0.00 C ATOM 328 O ARG A 19 1.815 -12.377 7.242 1.00 0.00 O ATOM 329 CB ARG A 19 3.921 -12.771 4.796 1.00 0.00 C ATOM 330 CG ARG A 19 4.359 -14.200 4.468 1.00 0.00 C ATOM 331 CD ARG A 19 4.533 -14.387 2.959 1.00 0.00 C ATOM 332 NE ARG A 19 5.561 -15.417 2.692 1.00 0.00 N ATOM 333 CZ ARG A 19 5.876 -15.865 1.469 1.00 0.00 C ATOM 334 NH1 ARG A 19 5.244 -15.376 0.393 1.00 0.00 N ATOM 335 NH2 ARG A 19 6.823 -16.802 1.321 1.00 0.00 N ATOM 0 H ARG A 19 2.465 -11.725 3.070 1.00 0.00 H new ATOM 0 HA ARG A 19 1.998 -13.688 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.259 -12.094 4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.394 -12.446 5.723 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.297 -14.422 4.976 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.618 -14.906 4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.585 -14.682 2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.824 -13.443 2.498 1.00 0.00 H new ATOM 0 HE ARG A 19 6.061 -15.811 3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.523 -14.663 0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.484 -15.717 -0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 19 7.304 -17.174 2.140 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.062 -17.143 0.390 1.00 0.00 H new ATOM 349 N HIS A 20 2.041 -10.529 5.957 1.00 0.00 N ATOM 350 CA HIS A 20 1.729 -9.606 7.035 1.00 0.00 C ATOM 351 C HIS A 20 0.240 -9.697 7.374 1.00 0.00 C ATOM 352 O HIS A 20 -0.157 -9.457 8.513 1.00 0.00 O ATOM 353 CB HIS A 20 2.170 -8.185 6.678 1.00 0.00 C ATOM 354 CG HIS A 20 3.657 -7.954 6.802 1.00 0.00 C ATOM 355 ND1 HIS A 20 4.233 -7.364 7.914 1.00 0.00 N ATOM 356 CD2 HIS A 20 4.678 -8.239 5.945 1.00 0.00 C ATOM 357 CE1 HIS A 20 5.543 -7.302 7.722 1.00 0.00 C ATOM 358 NE2 HIS A 20 5.816 -7.844 6.501 1.00 0.00 N ATOM 0 H HIS A 20 2.241 -10.086 5.060 1.00 0.00 H new ATOM 0 HA HIS A 20 2.287 -9.884 7.929 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.863 -7.966 5.655 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.648 -7.480 7.325 1.00 0.00 H new ATOM 0 HD1 HIS A 20 3.734 -7.033 8.740 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.578 -8.707 4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.267 -6.894 8.412 1.00 0.00 H new ATOM 366 N GLY A 21 -0.544 -10.045 6.364 1.00 0.00 N ATOM 367 CA GLY A 21 -1.981 -10.171 6.541 1.00 0.00 C ATOM 368 C GLY A 21 -2.736 -9.415 5.446 1.00 0.00 C ATOM 369 O GLY A 21 -3.933 -9.626 5.254 1.00 0.00 O ATOM 0 H GLY A 21 -0.211 -10.244 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.263 -11.224 6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.266 -9.783 7.519 1.00 0.00 H new ATOM 373 N ALA A 22 -2.006 -8.551 4.756 1.00 0.00 N ATOM 374 CA ALA A 22 -2.593 -7.763 3.685 1.00 0.00 C ATOM 375 C ALA A 22 -3.125 -8.701 2.601 1.00 0.00 C ATOM 376 O ALA A 22 -2.353 -9.397 1.943 1.00 0.00 O ATOM 377 CB ALA A 22 -1.552 -6.780 3.146 1.00 0.00 C ATOM 0 H ALA A 22 -1.014 -8.379 4.918 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.434 -7.177 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.992 -6.189 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.227 -6.118 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.694 -7.332 2.762 1.00 0.00 H new ATOM 383 N VAL A 23 -4.441 -8.690 2.447 1.00 0.00 N ATOM 384 CA VAL A 23 -5.087 -9.531 1.453 1.00 0.00 C ATOM 385 C VAL A 23 -5.457 -8.682 0.236 1.00 0.00 C ATOM 386 O VAL A 23 -5.254 -9.101 -0.903 1.00 0.00 O ATOM 387 CB VAL A 23 -6.290 -10.244 2.073 1.00 0.00 C ATOM 388 CG1 VAL A 23 -5.845 -11.230 3.156 1.00 0.00 C ATOM 389 CG2 VAL A 23 -7.298 -9.236 2.629 1.00 0.00 C ATOM 0 H VAL A 23 -5.078 -8.111 2.994 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.406 -10.310 1.111 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.785 -10.813 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.719 -11.723 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.184 -11.978 2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.315 -10.692 3.942 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.143 -9.769 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.819 -8.628 3.396 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.651 -8.592 1.823 1.00 0.00 H new ATOM 399 N ARG A 24 -5.993 -7.503 0.517 1.00 0.00 N ATOM 400 CA ARG A 24 -6.394 -6.592 -0.541 1.00 0.00 C ATOM 401 C ARG A 24 -5.309 -5.538 -0.773 1.00 0.00 C ATOM 402 O ARG A 24 -5.417 -4.413 -0.287 1.00 0.00 O ATOM 403 CB ARG A 24 -7.710 -5.892 -0.196 1.00 0.00 C ATOM 404 CG ARG A 24 -8.909 -6.775 -0.547 1.00 0.00 C ATOM 405 CD ARG A 24 -10.102 -6.465 0.360 1.00 0.00 C ATOM 406 NE ARG A 24 -10.804 -5.255 -0.123 1.00 0.00 N ATOM 407 CZ ARG A 24 -11.970 -4.816 0.371 1.00 0.00 C ATOM 408 NH1 ARG A 24 -12.571 -5.484 1.364 1.00 0.00 N ATOM 409 NH2 ARG A 24 -12.534 -3.708 -0.129 1.00 0.00 N ATOM 0 H ARG A 24 -6.159 -7.158 1.462 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.535 -7.179 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.730 -5.651 0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.777 -4.949 -0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.189 -6.617 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.634 -7.825 -0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.788 -7.312 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.761 -6.313 1.384 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.374 -4.722 -0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.141 -6.327 1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.458 -5.150 1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.076 -3.199 -0.885 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.421 -3.373 0.247 1.00 0.00 H new ATOM 423 N VAL A 25 -4.287 -5.940 -1.515 1.00 0.00 N ATOM 424 CA VAL A 25 -3.184 -5.044 -1.817 1.00 0.00 C ATOM 425 C VAL A 25 -3.503 -4.260 -3.091 1.00 0.00 C ATOM 426 O VAL A 25 -3.421 -4.800 -4.193 1.00 0.00 O ATOM 427 CB VAL A 25 -1.878 -5.836 -1.913 1.00 0.00 C ATOM 428 CG1 VAL A 25 -0.666 -4.917 -1.747 1.00 0.00 C ATOM 429 CG2 VAL A 25 -1.850 -6.972 -0.889 1.00 0.00 C ATOM 0 H VAL A 25 -4.200 -6.874 -1.916 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.051 -4.319 -1.014 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.827 -6.280 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.249 -5.505 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.674 -4.160 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.709 -4.431 -0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.912 -7.519 -0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.935 -6.558 0.116 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.684 -7.649 -1.074 1.00 0.00 H new ATOM 439 N ARG A 26 -3.859 -2.998 -2.898 1.00 0.00 N ATOM 440 CA ARG A 26 -4.191 -2.135 -4.019 1.00 0.00 C ATOM 441 C ARG A 26 -3.573 -0.749 -3.822 1.00 0.00 C ATOM 442 O ARG A 26 -3.305 -0.339 -2.693 1.00 0.00 O ATOM 443 CB ARG A 26 -5.706 -1.992 -4.174 1.00 0.00 C ATOM 444 CG ARG A 26 -6.256 -3.027 -5.158 1.00 0.00 C ATOM 445 CD ARG A 26 -7.722 -2.742 -5.491 1.00 0.00 C ATOM 446 NE ARG A 26 -8.406 -3.996 -5.879 1.00 0.00 N ATOM 447 CZ ARG A 26 -8.971 -4.844 -5.009 1.00 0.00 C ATOM 448 NH1 ARG A 26 -8.936 -4.578 -3.696 1.00 0.00 N ATOM 449 NH2 ARG A 26 -9.570 -5.958 -5.451 1.00 0.00 N ATOM 0 H ARG A 26 -3.925 -2.553 -1.983 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.786 -2.593 -4.922 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -6.188 -2.115 -3.204 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.946 -0.988 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.663 -3.016 -6.072 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.164 -4.025 -4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.220 -2.298 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.785 -2.018 -6.303 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.450 -4.229 -6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -8.479 -3.730 -3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.366 -5.223 -3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -9.596 -6.161 -6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.000 -6.603 -4.788 1.00 0.00 H new ATOM 463 N VAL A 27 -3.363 -0.066 -4.938 1.00 0.00 N ATOM 464 CA VAL A 27 -2.781 1.265 -4.902 1.00 0.00 C ATOM 465 C VAL A 27 -3.861 2.298 -5.232 1.00 0.00 C ATOM 466 O VAL A 27 -4.518 2.204 -6.268 1.00 0.00 O ATOM 467 CB VAL A 27 -1.578 1.336 -5.844 1.00 0.00 C ATOM 468 CG1 VAL A 27 -1.925 0.763 -7.220 1.00 0.00 C ATOM 469 CG2 VAL A 27 -1.057 2.769 -5.962 1.00 0.00 C ATOM 0 H VAL A 27 -3.585 -0.409 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.408 1.492 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.782 0.725 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.053 0.825 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.225 -0.279 -7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.744 1.334 -7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.202 2.791 -6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.845 3.412 -6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.752 3.127 -4.979 1.00 0.00 H new ATOM 479 N PHE A 28 -4.010 3.259 -4.333 1.00 0.00 N ATOM 480 CA PHE A 28 -4.999 4.309 -4.516 1.00 0.00 C ATOM 481 C PHE A 28 -4.345 5.691 -4.470 1.00 0.00 C ATOM 482 O PHE A 28 -3.443 5.929 -3.668 1.00 0.00 O ATOM 483 CB PHE A 28 -5.996 4.190 -3.362 1.00 0.00 C ATOM 484 CG PHE A 28 -5.529 4.853 -2.065 1.00 0.00 C ATOM 485 CD1 PHE A 28 -4.802 4.142 -1.161 1.00 0.00 C ATOM 486 CD2 PHE A 28 -5.840 6.153 -1.816 1.00 0.00 C ATOM 487 CE1 PHE A 28 -4.368 4.758 0.042 1.00 0.00 C ATOM 488 CE2 PHE A 28 -5.406 6.769 -0.612 1.00 0.00 C ATOM 489 CZ PHE A 28 -4.680 6.058 0.292 1.00 0.00 C ATOM 0 H PHE A 28 -3.463 3.333 -3.475 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.485 4.199 -5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.943 4.637 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.189 3.135 -3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.555 3.109 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.417 6.717 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.790 4.194 0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.652 7.802 -0.414 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.351 6.526 1.208 1.00 0.00 H new ATOM 499 N GLY A 29 -4.826 6.567 -5.340 1.00 0.00 N ATOM 500 CA GLY A 29 -4.300 7.920 -5.408 1.00 0.00 C ATOM 501 C GLY A 29 -3.583 8.163 -6.738 1.00 0.00 C ATOM 502 O GLY A 29 -3.922 7.553 -7.751 1.00 0.00 O ATOM 0 H GLY A 29 -5.574 6.366 -6.004 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.113 8.636 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.609 8.087 -4.582 1.00 0.00 H new ATOM 506 N SER A 30 -2.604 9.055 -6.691 1.00 0.00 N ATOM 507 CA SER A 30 -1.836 9.386 -7.879 1.00 0.00 C ATOM 508 C SER A 30 -0.899 8.230 -8.235 1.00 0.00 C ATOM 509 O SER A 30 -0.695 7.931 -9.411 1.00 0.00 O ATOM 510 CB SER A 30 -1.036 10.674 -7.676 1.00 0.00 C ATOM 511 OG SER A 30 -1.453 11.707 -8.566 1.00 0.00 O ATOM 0 H SER A 30 -2.325 9.558 -5.849 1.00 0.00 H new ATOM 0 HA SER A 30 -2.532 9.548 -8.702 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.151 11.014 -6.647 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.024 10.470 -7.828 1.00 0.00 H new ATOM 0 HG SER A 30 -0.920 12.513 -8.404 1.00 0.00 H new ATOM 517 N VAL A 31 -0.354 7.610 -7.198 1.00 0.00 N ATOM 518 CA VAL A 31 0.556 6.494 -7.387 1.00 0.00 C ATOM 519 C VAL A 31 -0.157 5.387 -8.167 1.00 0.00 C ATOM 520 O VAL A 31 0.466 4.680 -8.958 1.00 0.00 O ATOM 521 CB VAL A 31 1.093 6.022 -6.035 1.00 0.00 C ATOM 522 CG1 VAL A 31 1.943 4.760 -6.192 1.00 0.00 C ATOM 523 CG2 VAL A 31 1.884 7.133 -5.341 1.00 0.00 C ATOM 0 H VAL A 31 -0.526 7.860 -6.224 1.00 0.00 H new ATOM 0 HA VAL A 31 1.421 6.801 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 31 0.239 5.774 -5.404 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.312 4.446 -5.216 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.336 3.964 -6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.787 4.969 -6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.255 6.771 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.726 7.426 -5.968 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.236 7.994 -5.178 1.00 0.00 H new ATOM 533 N ALA A 32 -1.452 5.271 -7.916 1.00 0.00 N ATOM 534 CA ALA A 32 -2.256 4.262 -8.585 1.00 0.00 C ATOM 535 C ALA A 32 -2.179 4.474 -10.098 1.00 0.00 C ATOM 536 O ALA A 32 -2.274 3.520 -10.868 1.00 0.00 O ATOM 537 CB ALA A 32 -3.692 4.322 -8.060 1.00 0.00 C ATOM 0 H ALA A 32 -1.965 5.859 -7.259 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.873 3.264 -8.373 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.295 3.565 -8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.695 4.135 -6.986 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.111 5.309 -8.257 1.00 0.00 H new ATOM 543 N ARG A 33 -2.007 5.732 -10.479 1.00 0.00 N ATOM 544 CA ARG A 33 -1.916 6.082 -11.886 1.00 0.00 C ATOM 545 C ARG A 33 -0.453 6.113 -12.331 1.00 0.00 C ATOM 546 O ARG A 33 -0.165 6.147 -13.527 1.00 0.00 O ATOM 547 CB ARG A 33 -2.553 7.446 -12.156 1.00 0.00 C ATOM 548 CG ARG A 33 -4.005 7.292 -12.613 1.00 0.00 C ATOM 549 CD ARG A 33 -4.152 7.629 -14.098 1.00 0.00 C ATOM 550 NE ARG A 33 -4.799 6.504 -14.810 1.00 0.00 N ATOM 551 CZ ARG A 33 -4.169 5.373 -15.158 1.00 0.00 C ATOM 552 NH1 ARG A 33 -2.873 5.210 -14.860 1.00 0.00 N ATOM 553 NH2 ARG A 33 -4.836 4.406 -15.802 1.00 0.00 N ATOM 0 H ARG A 33 -1.928 6.521 -9.837 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.456 5.323 -12.452 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.515 8.054 -11.252 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.982 7.973 -12.920 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.340 6.270 -12.434 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.647 7.946 -12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.746 8.535 -14.217 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.173 7.830 -14.532 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.786 6.595 -15.051 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.366 5.946 -14.369 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.393 4.350 -15.125 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.823 4.530 -16.027 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.357 3.545 -16.067 1.00 0.00 H new ATOM 567 N GLY A 34 0.433 6.100 -11.346 1.00 0.00 N ATOM 568 CA GLY A 34 1.860 6.126 -11.622 1.00 0.00 C ATOM 569 C GLY A 34 2.443 7.516 -11.361 1.00 0.00 C ATOM 570 O GLY A 34 3.434 7.903 -11.978 1.00 0.00 O ATOM 0 H GLY A 34 0.191 6.072 -10.356 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.368 5.391 -10.998 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.039 5.841 -12.659 1.00 0.00 H new ATOM 574 N GLU A 35 1.803 8.229 -10.445 1.00 0.00 N ATOM 575 CA GLU A 35 2.247 9.568 -10.095 1.00 0.00 C ATOM 576 C GLU A 35 2.633 9.629 -8.616 1.00 0.00 C ATOM 577 O GLU A 35 1.903 9.134 -7.759 1.00 0.00 O ATOM 578 CB GLU A 35 1.171 10.605 -10.424 1.00 0.00 C ATOM 579 CG GLU A 35 0.998 10.755 -11.937 1.00 0.00 C ATOM 580 CD GLU A 35 -0.465 11.019 -12.298 1.00 0.00 C ATOM 581 OE1 GLU A 35 -1.081 11.851 -11.598 1.00 0.00 O ATOM 582 OE2 GLU A 35 -0.934 10.383 -13.267 1.00 0.00 O ATOM 0 H GLU A 35 0.981 7.905 -9.935 1.00 0.00 H new ATOM 0 HA GLU A 35 3.129 9.805 -10.691 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.224 10.307 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.442 11.567 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.619 11.575 -12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.342 9.850 -12.437 1.00 0.00 H new ATOM 589 N ALA A 36 3.781 10.240 -8.362 1.00 0.00 N ATOM 590 CA ALA A 36 4.273 10.372 -7.001 1.00 0.00 C ATOM 591 C ALA A 36 5.114 11.645 -6.889 1.00 0.00 C ATOM 592 O ALA A 36 6.305 11.636 -7.198 1.00 0.00 O ATOM 593 CB ALA A 36 5.061 9.117 -6.619 1.00 0.00 C ATOM 0 H ALA A 36 4.384 10.649 -9.075 1.00 0.00 H new ATOM 0 HA ALA A 36 3.443 10.462 -6.300 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.430 9.216 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.411 8.245 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.904 8.995 -7.299 1.00 0.00 H new ATOM 599 N ARG A 37 4.462 12.710 -6.447 1.00 0.00 N ATOM 600 CA ARG A 37 5.135 13.988 -6.290 1.00 0.00 C ATOM 601 C ARG A 37 6.535 13.783 -5.709 1.00 0.00 C ATOM 602 O ARG A 37 6.824 12.737 -5.131 1.00 0.00 O ATOM 603 CB ARG A 37 4.341 14.920 -5.373 1.00 0.00 C ATOM 604 CG ARG A 37 4.092 16.272 -6.045 1.00 0.00 C ATOM 605 CD ARG A 37 2.595 16.525 -6.230 1.00 0.00 C ATOM 606 NE ARG A 37 2.328 17.001 -7.606 1.00 0.00 N ATOM 607 CZ ARG A 37 1.109 17.055 -8.158 1.00 0.00 C ATOM 608 NH1 ARG A 37 0.037 16.665 -7.456 1.00 0.00 N ATOM 609 NH2 ARG A 37 0.961 17.501 -9.414 1.00 0.00 N ATOM 0 H ARG A 37 3.474 12.714 -6.193 1.00 0.00 H new ATOM 0 HA ARG A 37 5.211 14.446 -7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 37 3.388 14.457 -5.116 1.00 0.00 H new ATOM 0 HB3 ARG A 37 4.885 15.069 -4.440 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.527 17.068 -5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.591 16.298 -7.014 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.037 15.609 -6.039 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.251 17.265 -5.507 1.00 0.00 H new ATOM 0 HE ARG A 37 3.122 17.307 -8.169 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.149 16.327 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.891 16.706 -7.877 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.777 17.799 -9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.033 17.542 -9.835 1.00 0.00 H new ATOM 623 N GLU A 38 7.368 14.799 -5.883 1.00 0.00 N ATOM 624 CA GLU A 38 8.731 14.744 -5.383 1.00 0.00 C ATOM 625 C GLU A 38 8.761 15.063 -3.887 1.00 0.00 C ATOM 626 O GLU A 38 9.819 15.021 -3.261 1.00 0.00 O ATOM 627 CB GLU A 38 9.641 15.694 -6.164 1.00 0.00 C ATOM 628 CG GLU A 38 9.582 15.399 -7.664 1.00 0.00 C ATOM 629 CD GLU A 38 10.696 14.435 -8.077 1.00 0.00 C ATOM 630 OE1 GLU A 38 11.809 14.936 -8.350 1.00 0.00 O ATOM 631 OE2 GLU A 38 10.411 13.219 -8.111 1.00 0.00 O ATOM 0 H GLU A 38 7.125 15.665 -6.364 1.00 0.00 H new ATOM 0 HA GLU A 38 9.109 13.732 -5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.340 16.725 -5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 38 10.667 15.594 -5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.612 14.969 -7.916 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.674 16.329 -8.225 1.00 0.00 H new ATOM 638 N ASP A 39 7.587 15.373 -3.357 1.00 0.00 N ATOM 639 CA ASP A 39 7.466 15.699 -1.946 1.00 0.00 C ATOM 640 C ASP A 39 6.227 15.008 -1.372 1.00 0.00 C ATOM 641 O ASP A 39 5.739 15.384 -0.308 1.00 0.00 O ATOM 642 CB ASP A 39 7.304 17.206 -1.740 1.00 0.00 C ATOM 643 CG ASP A 39 8.469 17.890 -1.022 1.00 0.00 C ATOM 644 OD1 ASP A 39 9.553 17.963 -1.641 1.00 0.00 O ATOM 645 OD2 ASP A 39 8.251 18.323 0.130 1.00 0.00 O ATOM 0 H ASP A 39 6.711 15.405 -3.879 1.00 0.00 H new ATOM 0 HA ASP A 39 8.373 15.362 -1.444 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.169 17.678 -2.713 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.392 17.384 -1.171 1.00 0.00 H new ATOM 650 N SER A 40 5.754 14.009 -2.103 1.00 0.00 N ATOM 651 CA SER A 40 4.581 13.263 -1.680 1.00 0.00 C ATOM 652 C SER A 40 5.002 11.907 -1.110 1.00 0.00 C ATOM 653 O SER A 40 6.168 11.526 -1.200 1.00 0.00 O ATOM 654 CB SER A 40 3.603 13.070 -2.841 1.00 0.00 C ATOM 655 OG SER A 40 2.615 14.096 -2.883 1.00 0.00 O ATOM 0 H SER A 40 6.162 13.699 -2.985 1.00 0.00 H new ATOM 0 HA SER A 40 4.073 13.835 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.154 13.059 -3.781 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.115 12.100 -2.746 1.00 0.00 H new ATOM 0 HG SER A 40 1.922 13.856 -3.533 1.00 0.00 H new ATOM 661 N ASP A 41 4.029 11.215 -0.535 1.00 0.00 N ATOM 662 CA ASP A 41 4.284 9.909 0.049 1.00 0.00 C ATOM 663 C ASP A 41 3.512 8.845 -0.733 1.00 0.00 C ATOM 664 O ASP A 41 2.544 9.158 -1.424 1.00 0.00 O ATOM 665 CB ASP A 41 3.816 9.857 1.505 1.00 0.00 C ATOM 666 CG ASP A 41 2.483 10.556 1.782 1.00 0.00 C ATOM 667 OD1 ASP A 41 1.612 10.490 0.888 1.00 0.00 O ATOM 668 OD2 ASP A 41 2.366 11.141 2.880 1.00 0.00 O ATOM 0 H ASP A 41 3.063 11.534 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 41 5.358 9.725 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.731 8.813 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.583 10.309 2.134 1.00 0.00 H new ATOM 673 N LEU A 42 3.971 7.609 -0.599 1.00 0.00 N ATOM 674 CA LEU A 42 3.336 6.497 -1.285 1.00 0.00 C ATOM 675 C LEU A 42 2.093 6.064 -0.504 1.00 0.00 C ATOM 676 O LEU A 42 2.196 5.622 0.639 1.00 0.00 O ATOM 677 CB LEU A 42 4.340 5.366 -1.517 1.00 0.00 C ATOM 678 CG LEU A 42 3.747 4.011 -1.907 1.00 0.00 C ATOM 679 CD1 LEU A 42 3.212 3.273 -0.677 1.00 0.00 C ATOM 680 CD2 LEU A 42 2.678 4.171 -2.989 1.00 0.00 C ATOM 0 H LEU A 42 4.775 7.354 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 42 3.001 6.803 -2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.032 5.676 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.926 5.235 -0.607 1.00 0.00 H new ATOM 0 HG LEU A 42 4.543 3.398 -2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.796 2.313 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.025 3.108 0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.434 3.872 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.273 3.193 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.876 4.809 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.122 4.626 -3.875 1.00 0.00 H new ATOM 692 N ASP A 43 0.946 6.206 -1.153 1.00 0.00 N ATOM 693 CA ASP A 43 -0.315 5.835 -0.534 1.00 0.00 C ATOM 694 C ASP A 43 -0.739 4.455 -1.039 1.00 0.00 C ATOM 695 O ASP A 43 -0.923 4.258 -2.239 1.00 0.00 O ATOM 696 CB ASP A 43 -1.419 6.831 -0.895 1.00 0.00 C ATOM 697 CG ASP A 43 -1.194 8.257 -0.389 1.00 0.00 C ATOM 698 OD1 ASP A 43 -0.273 8.427 0.439 1.00 0.00 O ATOM 699 OD2 ASP A 43 -1.947 9.145 -0.843 1.00 0.00 O ATOM 0 H ASP A 43 0.864 6.573 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.172 5.831 0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.522 6.859 -1.980 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.364 6.464 -0.494 1.00 0.00 H new ATOM 704 N LEU A 44 -0.883 3.534 -0.097 1.00 0.00 N ATOM 705 CA LEU A 44 -1.283 2.178 -0.431 1.00 0.00 C ATOM 706 C LEU A 44 -2.353 1.708 0.556 1.00 0.00 C ATOM 707 O LEU A 44 -2.146 1.747 1.768 1.00 0.00 O ATOM 708 CB LEU A 44 -0.061 1.259 -0.496 1.00 0.00 C ATOM 709 CG LEU A 44 0.193 0.573 -1.840 1.00 0.00 C ATOM 710 CD1 LEU A 44 0.414 1.604 -2.948 1.00 0.00 C ATOM 711 CD2 LEU A 44 1.353 -0.419 -1.739 1.00 0.00 C ATOM 0 H LEU A 44 -0.730 3.701 0.898 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.730 2.147 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.822 1.843 -0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.170 0.489 0.268 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.696 0.001 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.592 1.090 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.470 2.235 -3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.277 2.222 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.512 -0.892 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.258 0.109 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.116 -1.182 -0.997 1.00 0.00 H new ATOM 723 N LEU A 45 -3.475 1.274 0.001 1.00 0.00 N ATOM 724 CA LEU A 45 -4.579 0.798 0.817 1.00 0.00 C ATOM 725 C LEU A 45 -4.549 -0.731 0.865 1.00 0.00 C ATOM 726 O LEU A 45 -4.791 -1.393 -0.143 1.00 0.00 O ATOM 727 CB LEU A 45 -5.905 1.371 0.313 1.00 0.00 C ATOM 728 CG LEU A 45 -7.146 1.009 1.131 1.00 0.00 C ATOM 729 CD1 LEU A 45 -7.901 -0.160 0.495 1.00 0.00 C ATOM 730 CD2 LEU A 45 -6.779 0.728 2.589 1.00 0.00 C ATOM 0 H LEU A 45 -3.643 1.242 -1.004 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.475 1.153 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.820 2.457 0.281 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.058 1.033 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.819 1.867 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.779 -0.397 1.097 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.215 0.114 -0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.248 -1.032 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.679 0.473 3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.077 -0.104 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.319 1.615 3.026 1.00 0.00 H new ATOM 742 N VAL A 46 -4.249 -1.248 2.048 1.00 0.00 N ATOM 743 CA VAL A 46 -4.184 -2.687 2.241 1.00 0.00 C ATOM 744 C VAL A 46 -5.150 -3.092 3.356 1.00 0.00 C ATOM 745 O VAL A 46 -5.513 -2.270 4.197 1.00 0.00 O ATOM 746 CB VAL A 46 -2.740 -3.113 2.517 1.00 0.00 C ATOM 747 CG1 VAL A 46 -2.008 -3.444 1.215 1.00 0.00 C ATOM 748 CG2 VAL A 46 -1.993 -2.038 3.308 1.00 0.00 C ATOM 0 H VAL A 46 -4.048 -0.696 2.882 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.496 -3.208 1.336 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.768 -4.017 3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.984 -3.744 1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.522 -4.260 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.996 -2.565 0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.970 -2.366 3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.980 -1.109 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.496 -1.872 4.261 1.00 0.00 H new ATOM 758 N ALA A 47 -5.539 -4.358 3.328 1.00 0.00 N ATOM 759 CA ALA A 47 -6.456 -4.882 4.326 1.00 0.00 C ATOM 760 C ALA A 47 -5.868 -6.156 4.934 1.00 0.00 C ATOM 761 O ALA A 47 -5.600 -7.122 4.221 1.00 0.00 O ATOM 762 CB ALA A 47 -7.826 -5.119 3.686 1.00 0.00 C ATOM 0 H ALA A 47 -5.236 -5.037 2.630 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.594 -4.165 5.135 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.514 -5.512 4.434 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.213 -4.178 3.296 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.728 -5.836 2.871 1.00 0.00 H new ATOM 768 N PHE A 48 -5.683 -6.117 6.245 1.00 0.00 N ATOM 769 CA PHE A 48 -5.131 -7.257 6.957 1.00 0.00 C ATOM 770 C PHE A 48 -6.243 -8.177 7.466 1.00 0.00 C ATOM 771 O PHE A 48 -7.269 -7.705 7.954 1.00 0.00 O ATOM 772 CB PHE A 48 -4.355 -6.704 8.154 1.00 0.00 C ATOM 773 CG PHE A 48 -3.361 -5.598 7.794 1.00 0.00 C ATOM 774 CD1 PHE A 48 -3.790 -4.313 7.668 1.00 0.00 C ATOM 775 CD2 PHE A 48 -2.049 -5.899 7.600 1.00 0.00 C ATOM 776 CE1 PHE A 48 -2.868 -3.287 7.334 1.00 0.00 C ATOM 777 CE2 PHE A 48 -1.127 -4.872 7.266 1.00 0.00 C ATOM 778 CZ PHE A 48 -1.556 -3.588 7.140 1.00 0.00 C ATOM 0 H PHE A 48 -5.906 -5.314 6.833 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.492 -7.838 6.291 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.064 -6.317 8.886 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.816 -7.521 8.633 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.832 -4.074 7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -1.708 -6.919 7.700 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.208 -2.267 7.234 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.085 -5.111 7.112 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.855 -2.807 6.886 1.00 0.00 H new ATOM 788 N GLU A 49 -6.002 -9.473 7.335 1.00 0.00 N ATOM 789 CA GLU A 49 -6.970 -10.463 7.776 1.00 0.00 C ATOM 790 C GLU A 49 -7.340 -10.228 9.242 1.00 0.00 C ATOM 791 O GLU A 49 -7.104 -9.147 9.780 1.00 0.00 O ATOM 792 CB GLU A 49 -6.439 -11.882 7.565 1.00 0.00 C ATOM 793 CG GLU A 49 -5.988 -12.089 6.118 1.00 0.00 C ATOM 794 CD GLU A 49 -5.710 -13.567 5.837 1.00 0.00 C ATOM 795 OE1 GLU A 49 -4.813 -14.114 6.514 1.00 0.00 O ATOM 796 OE2 GLU A 49 -6.400 -14.116 4.951 1.00 0.00 O ATOM 0 H GLU A 49 -5.150 -9.861 6.930 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.871 -10.355 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.603 -12.065 8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.215 -12.605 7.815 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.758 -11.724 5.438 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.089 -11.503 5.926 1.00 0.00 H new ATOM 803 N GLU A 50 -7.913 -11.258 9.847 1.00 0.00 N ATOM 804 CA GLU A 50 -8.317 -11.177 11.241 1.00 0.00 C ATOM 805 C GLU A 50 -7.327 -11.938 12.125 1.00 0.00 C ATOM 806 O GLU A 50 -7.506 -12.014 13.340 1.00 0.00 O ATOM 807 CB GLU A 50 -9.740 -11.705 11.430 1.00 0.00 C ATOM 808 CG GLU A 50 -10.699 -11.072 10.421 1.00 0.00 C ATOM 809 CD GLU A 50 -11.884 -11.997 10.134 1.00 0.00 C ATOM 810 OE1 GLU A 50 -12.722 -12.146 11.049 1.00 0.00 O ATOM 811 OE2 GLU A 50 -11.923 -12.535 9.006 1.00 0.00 O ATOM 0 H GLU A 50 -8.107 -12.153 9.398 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.311 -10.129 11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.748 -12.789 11.314 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.079 -11.491 12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.062 -10.120 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.167 -10.858 9.494 1.00 0.00 H new ATOM 818 N GLY A 51 -6.305 -12.482 11.482 1.00 0.00 N ATOM 819 CA GLY A 51 -5.286 -13.234 12.195 1.00 0.00 C ATOM 820 C GLY A 51 -3.908 -12.594 12.019 1.00 0.00 C ATOM 821 O GLY A 51 -2.916 -13.293 11.819 1.00 0.00 O ATOM 0 H GLY A 51 -6.160 -12.417 10.474 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.537 -13.279 13.255 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.264 -14.260 11.829 1.00 0.00 H new ATOM 825 N ARG A 52 -3.890 -11.272 12.100 1.00 0.00 N ATOM 826 CA ARG A 52 -2.649 -10.530 11.952 1.00 0.00 C ATOM 827 C ARG A 52 -2.483 -9.538 13.105 1.00 0.00 C ATOM 828 O ARG A 52 -3.446 -8.891 13.516 1.00 0.00 O ATOM 829 CB ARG A 52 -2.618 -9.769 10.625 1.00 0.00 C ATOM 830 CG ARG A 52 -4.034 -9.508 10.109 1.00 0.00 C ATOM 831 CD ARG A 52 -4.724 -8.415 10.928 1.00 0.00 C ATOM 832 NE ARG A 52 -5.780 -9.009 11.777 1.00 0.00 N ATOM 833 CZ ARG A 52 -6.227 -8.460 12.915 1.00 0.00 C ATOM 834 NH1 ARG A 52 -5.713 -7.301 13.346 1.00 0.00 N ATOM 835 NH2 ARG A 52 -7.189 -9.070 13.621 1.00 0.00 N ATOM 0 H ARG A 52 -4.715 -10.695 12.266 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.829 -11.248 11.965 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.095 -8.822 10.757 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.058 -10.342 9.886 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.994 -9.211 9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.618 -10.427 10.158 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.993 -7.899 11.550 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.158 -7.669 10.262 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.194 -9.892 11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.981 -6.836 12.808 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.053 -6.883 14.212 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.581 -9.952 13.292 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.529 -8.652 14.487 1.00 0.00 H new ATOM 849 N THR A 53 -1.256 -9.449 13.595 1.00 0.00 N ATOM 850 CA THR A 53 -0.951 -8.547 14.693 1.00 0.00 C ATOM 851 C THR A 53 -0.553 -7.170 14.157 1.00 0.00 C ATOM 852 O THR A 53 0.002 -7.062 13.064 1.00 0.00 O ATOM 853 CB THR A 53 0.131 -9.200 15.556 1.00 0.00 C ATOM 854 OG1 THR A 53 1.118 -9.618 14.617 1.00 0.00 O ATOM 855 CG2 THR A 53 -0.344 -10.503 16.203 1.00 0.00 C ATOM 0 H THR A 53 -0.460 -9.987 13.252 1.00 0.00 H new ATOM 0 HA THR A 53 -1.827 -8.376 15.319 1.00 0.00 H new ATOM 0 HB THR A 53 0.446 -8.503 16.333 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.096 -9.028 13.835 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.461 -10.925 16.804 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.205 -10.300 16.840 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.627 -11.213 15.426 1.00 0.00 H new ATOM 863 N LEU A 54 -0.850 -6.153 14.951 1.00 0.00 N ATOM 864 CA LEU A 54 -0.530 -4.787 14.570 1.00 0.00 C ATOM 865 C LEU A 54 0.974 -4.674 14.312 1.00 0.00 C ATOM 866 O LEU A 54 1.408 -3.853 13.505 1.00 0.00 O ATOM 867 CB LEU A 54 -1.049 -3.803 15.620 1.00 0.00 C ATOM 868 CG LEU A 54 -2.063 -2.768 15.126 1.00 0.00 C ATOM 869 CD1 LEU A 54 -1.405 -1.766 14.176 1.00 0.00 C ATOM 870 CD2 LEU A 54 -3.276 -3.450 14.489 1.00 0.00 C ATOM 0 H LEU A 54 -1.309 -6.247 15.857 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.035 -4.522 13.641 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.506 -4.373 16.429 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.197 -3.273 16.045 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.424 -2.206 15.987 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.147 -1.042 13.840 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.600 -1.246 14.696 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.998 -2.295 13.314 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.981 -2.693 14.146 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.951 -4.053 13.641 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.761 -4.091 15.225 1.00 0.00 H new ATOM 882 N LEU A 55 1.727 -5.511 15.011 1.00 0.00 N ATOM 883 CA LEU A 55 3.172 -5.515 14.867 1.00 0.00 C ATOM 884 C LEU A 55 3.533 -5.711 13.393 1.00 0.00 C ATOM 885 O LEU A 55 4.433 -5.049 12.877 1.00 0.00 O ATOM 886 CB LEU A 55 3.801 -6.555 15.797 1.00 0.00 C ATOM 887 CG LEU A 55 4.966 -6.066 16.659 1.00 0.00 C ATOM 888 CD1 LEU A 55 4.729 -6.390 18.136 1.00 0.00 C ATOM 889 CD2 LEU A 55 6.296 -6.631 16.155 1.00 0.00 C ATOM 0 H LEU A 55 1.363 -6.191 15.679 1.00 0.00 H new ATOM 0 HA LEU A 55 3.587 -4.555 15.173 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.024 -6.941 16.457 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.149 -7.392 15.191 1.00 0.00 H new ATOM 0 HG LEU A 55 5.023 -4.981 16.572 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.572 -6.032 18.727 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.815 -5.901 18.474 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.631 -7.468 18.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.108 -6.268 16.785 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.266 -7.720 16.193 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.462 -6.308 15.127 1.00 0.00 H new ATOM 901 N ASP A 56 2.812 -6.622 12.756 1.00 0.00 N ATOM 902 CA ASP A 56 3.045 -6.913 11.352 1.00 0.00 C ATOM 903 C ASP A 56 2.596 -5.719 10.507 1.00 0.00 C ATOM 904 O ASP A 56 3.227 -5.392 9.503 1.00 0.00 O ATOM 905 CB ASP A 56 2.245 -8.137 10.903 1.00 0.00 C ATOM 906 CG ASP A 56 2.669 -9.458 11.548 1.00 0.00 C ATOM 907 OD1 ASP A 56 3.852 -9.821 11.374 1.00 0.00 O ATOM 908 OD2 ASP A 56 1.800 -10.076 12.201 1.00 0.00 O ATOM 0 H ASP A 56 2.066 -7.168 13.187 1.00 0.00 H new ATOM 0 HA ASP A 56 4.109 -7.110 11.220 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.191 -7.964 11.123 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.333 -8.233 9.821 1.00 0.00 H new ATOM 913 N HIS A 57 1.509 -5.100 10.944 1.00 0.00 N ATOM 914 CA HIS A 57 0.969 -3.950 10.241 1.00 0.00 C ATOM 915 C HIS A 57 2.027 -2.848 10.169 1.00 0.00 C ATOM 916 O HIS A 57 2.316 -2.328 9.092 1.00 0.00 O ATOM 917 CB HIS A 57 -0.334 -3.479 10.890 1.00 0.00 C ATOM 918 CG HIS A 57 -1.495 -4.425 10.695 1.00 0.00 C ATOM 919 ND1 HIS A 57 -2.811 -3.998 10.651 1.00 0.00 N ATOM 920 CD2 HIS A 57 -1.524 -5.779 10.531 1.00 0.00 C ATOM 921 CE1 HIS A 57 -3.588 -5.055 10.469 1.00 0.00 C ATOM 922 NE2 HIS A 57 -2.788 -6.158 10.396 1.00 0.00 N ATOM 0 H HIS A 57 0.988 -5.374 11.777 1.00 0.00 H new ATOM 0 HA HIS A 57 0.717 -4.231 9.218 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.167 -3.341 11.958 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.600 -2.504 10.481 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.128 -3.033 10.743 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.664 -6.432 10.514 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -4.665 -5.046 10.392 1.00 0.00 H new ATOM 930 N ALA A 58 2.578 -2.524 11.330 1.00 0.00 N ATOM 931 CA ALA A 58 3.599 -1.493 11.412 1.00 0.00 C ATOM 932 C ALA A 58 4.861 -1.972 10.692 1.00 0.00 C ATOM 933 O ALA A 58 5.537 -1.188 10.029 1.00 0.00 O ATOM 934 CB ALA A 58 3.860 -1.149 12.880 1.00 0.00 C ATOM 0 H ALA A 58 2.337 -2.957 12.221 1.00 0.00 H new ATOM 0 HA ALA A 58 3.264 -0.581 10.918 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.626 -0.376 12.942 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.940 -0.786 13.338 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.201 -2.040 13.407 1.00 0.00 H new ATOM 940 N ARG A 59 5.139 -3.258 10.847 1.00 0.00 N ATOM 941 CA ARG A 59 6.308 -3.852 10.220 1.00 0.00 C ATOM 942 C ARG A 59 6.156 -3.842 8.698 1.00 0.00 C ATOM 943 O ARG A 59 7.139 -3.691 7.973 1.00 0.00 O ATOM 944 CB ARG A 59 6.518 -5.291 10.696 1.00 0.00 C ATOM 945 CG ARG A 59 7.320 -5.326 11.998 1.00 0.00 C ATOM 946 CD ARG A 59 8.097 -6.638 12.128 1.00 0.00 C ATOM 947 NE ARG A 59 9.119 -6.518 13.192 1.00 0.00 N ATOM 948 CZ ARG A 59 10.355 -6.040 12.995 1.00 0.00 C ATOM 949 NH1 ARG A 59 10.730 -5.633 11.775 1.00 0.00 N ATOM 950 NH2 ARG A 59 11.216 -5.967 14.020 1.00 0.00 N ATOM 0 H ARG A 59 4.575 -3.905 11.398 1.00 0.00 H new ATOM 0 HA ARG A 59 7.176 -3.257 10.506 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.552 -5.773 10.847 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.041 -5.860 9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.013 -4.485 12.025 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.646 -5.212 12.847 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.413 -7.454 12.360 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.575 -6.883 11.179 1.00 0.00 H new ATOM 0 HE ARG A 59 8.867 -6.818 14.134 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.074 -5.687 10.995 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.671 -5.269 11.626 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.930 -6.275 14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.157 -5.603 13.871 1.00 0.00 H new ATOM 964 N LEU A 60 4.917 -4.006 8.258 1.00 0.00 N ATOM 965 CA LEU A 60 4.624 -4.018 6.834 1.00 0.00 C ATOM 966 C LEU A 60 5.103 -2.706 6.208 1.00 0.00 C ATOM 967 O LEU A 60 5.640 -2.702 5.102 1.00 0.00 O ATOM 968 CB LEU A 60 3.141 -4.308 6.595 1.00 0.00 C ATOM 969 CG LEU A 60 2.805 -5.069 5.311 1.00 0.00 C ATOM 970 CD1 LEU A 60 1.317 -4.947 4.975 1.00 0.00 C ATOM 971 CD2 LEU A 60 3.693 -4.609 4.153 1.00 0.00 C ATOM 0 H LEU A 60 4.105 -4.132 8.862 1.00 0.00 H new ATOM 0 HA LEU A 60 5.166 -4.824 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.762 -4.879 7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.603 -3.360 6.583 1.00 0.00 H new ATOM 0 HG LEU A 60 3.013 -6.126 5.476 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.105 -5.497 4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.725 -5.360 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.060 -3.897 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.434 -5.166 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.540 -3.544 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.739 -4.789 4.402 1.00 0.00 H new ATOM 983 N LYS A 61 4.890 -1.625 6.943 1.00 0.00 N ATOM 984 CA LYS A 61 5.293 -0.310 6.474 1.00 0.00 C ATOM 985 C LYS A 61 6.818 -0.255 6.372 1.00 0.00 C ATOM 986 O LYS A 61 7.361 0.175 5.355 1.00 0.00 O ATOM 987 CB LYS A 61 4.696 0.783 7.363 1.00 0.00 C ATOM 988 CG LYS A 61 5.163 2.170 6.916 1.00 0.00 C ATOM 989 CD LYS A 61 6.613 2.421 7.333 1.00 0.00 C ATOM 990 CE LYS A 61 6.828 3.888 7.712 1.00 0.00 C ATOM 991 NZ LYS A 61 6.318 4.150 9.077 1.00 0.00 N ATOM 0 H LYS A 61 4.444 -1.633 7.860 1.00 0.00 H new ATOM 0 HA LYS A 61 4.899 -0.125 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.608 0.733 7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.988 0.614 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.072 2.257 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.518 2.933 7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.868 1.782 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.282 2.151 6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.889 4.131 7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.318 4.533 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.471 5.150 9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.301 3.937 9.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.823 3.548 9.758 1.00 0.00 H new ATOM 1005 N LEU A 62 7.467 -0.696 7.440 1.00 0.00 N ATOM 1006 CA LEU A 62 8.919 -0.703 7.483 1.00 0.00 C ATOM 1007 C LEU A 62 9.452 -1.704 6.456 1.00 0.00 C ATOM 1008 O LEU A 62 10.531 -1.513 5.899 1.00 0.00 O ATOM 1009 CB LEU A 62 9.412 -0.963 8.908 1.00 0.00 C ATOM 1010 CG LEU A 62 10.021 -2.342 9.166 1.00 0.00 C ATOM 1011 CD1 LEU A 62 11.488 -2.383 8.733 1.00 0.00 C ATOM 1012 CD2 LEU A 62 9.844 -2.755 10.629 1.00 0.00 C ATOM 0 H LEU A 62 7.014 -1.051 8.282 1.00 0.00 H new ATOM 0 HA LEU A 62 9.312 0.276 7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.156 -0.207 9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.575 -0.824 9.592 1.00 0.00 H new ATOM 0 HG LEU A 62 9.485 -3.071 8.558 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.897 -3.374 8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 62 11.559 -2.163 7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.054 -1.640 9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.286 -3.739 10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.338 -2.029 11.274 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.782 -2.792 10.871 1.00 0.00 H new ATOM 1024 N ALA A 63 8.670 -2.751 6.238 1.00 0.00 N ATOM 1025 CA ALA A 63 9.049 -3.783 5.288 1.00 0.00 C ATOM 1026 C ALA A 63 8.970 -3.218 3.869 1.00 0.00 C ATOM 1027 O ALA A 63 9.824 -3.509 3.032 1.00 0.00 O ATOM 1028 CB ALA A 63 8.151 -5.007 5.478 1.00 0.00 C ATOM 0 H ALA A 63 7.776 -2.907 6.703 1.00 0.00 H new ATOM 0 HA ALA A 63 10.077 -4.103 5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.435 -5.781 4.765 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.265 -5.388 6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.111 -4.725 5.312 1.00 0.00 H new ATOM 1034 N LEU A 64 7.938 -2.419 3.640 1.00 0.00 N ATOM 1035 CA LEU A 64 7.737 -1.810 2.336 1.00 0.00 C ATOM 1036 C LEU A 64 8.787 -0.718 2.121 1.00 0.00 C ATOM 1037 O LEU A 64 9.248 -0.508 1.000 1.00 0.00 O ATOM 1038 CB LEU A 64 6.296 -1.315 2.193 1.00 0.00 C ATOM 1039 CG LEU A 64 5.230 -2.398 2.014 1.00 0.00 C ATOM 1040 CD1 LEU A 64 4.444 -2.184 0.718 1.00 0.00 C ATOM 1041 CD2 LEU A 64 5.849 -3.795 2.085 1.00 0.00 C ATOM 0 H LEU A 64 7.232 -2.179 4.336 1.00 0.00 H new ATOM 0 HA LEU A 64 7.877 -2.547 1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.045 -0.728 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.248 -0.640 1.338 1.00 0.00 H new ATOM 0 HG LEU A 64 4.521 -2.319 2.838 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.693 -2.967 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.953 -1.211 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.126 -2.221 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.069 -4.545 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.593 -3.904 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.327 -3.933 3.055 1.00 0.00 H new ATOM 1053 N GLU A 65 9.134 -0.052 3.212 1.00 0.00 N ATOM 1054 CA GLU A 65 10.121 1.013 3.157 1.00 0.00 C ATOM 1055 C GLU A 65 11.504 0.439 2.843 1.00 0.00 C ATOM 1056 O GLU A 65 12.349 1.125 2.270 1.00 0.00 O ATOM 1057 CB GLU A 65 10.142 1.810 4.463 1.00 0.00 C ATOM 1058 CG GLU A 65 9.109 2.938 4.434 1.00 0.00 C ATOM 1059 CD GLU A 65 9.372 3.952 5.549 1.00 0.00 C ATOM 1060 OE1 GLU A 65 10.065 3.565 6.515 1.00 0.00 O ATOM 1061 OE2 GLU A 65 8.875 5.090 5.411 1.00 0.00 O ATOM 0 H GLU A 65 8.749 -0.229 4.140 1.00 0.00 H new ATOM 0 HA GLU A 65 9.843 1.698 2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.936 1.145 5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 65 11.136 2.227 4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.140 3.440 3.467 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.108 2.522 4.545 1.00 0.00 H new ATOM 1068 N GLY A 66 11.692 -0.813 3.231 1.00 0.00 N ATOM 1069 CA GLY A 66 12.958 -1.487 2.998 1.00 0.00 C ATOM 1070 C GLY A 66 13.133 -1.828 1.517 1.00 0.00 C ATOM 1071 O GLY A 66 14.161 -1.510 0.920 1.00 0.00 O ATOM 0 H GLY A 66 10.989 -1.379 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.779 -0.850 3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.003 -2.399 3.593 1.00 0.00 H new ATOM 1075 N LEU A 67 12.113 -2.470 0.966 1.00 0.00 N ATOM 1076 CA LEU A 67 12.142 -2.857 -0.435 1.00 0.00 C ATOM 1077 C LEU A 67 12.184 -1.600 -1.306 1.00 0.00 C ATOM 1078 O LEU A 67 12.944 -1.535 -2.271 1.00 0.00 O ATOM 1079 CB LEU A 67 10.972 -3.789 -0.756 1.00 0.00 C ATOM 1080 CG LEU A 67 11.233 -5.285 -0.563 1.00 0.00 C ATOM 1081 CD1 LEU A 67 9.928 -6.040 -0.302 1.00 0.00 C ATOM 1082 CD2 LEU A 67 12.003 -5.865 -1.751 1.00 0.00 C ATOM 0 H LEU A 67 11.262 -2.732 1.464 1.00 0.00 H new ATOM 0 HA LEU A 67 13.044 -3.427 -0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.125 -3.505 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.675 -3.623 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 67 11.860 -5.411 0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.142 -7.100 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.455 -5.649 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.256 -5.909 -1.150 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.175 -6.929 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.423 -5.727 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.960 -5.353 -1.849 1.00 0.00 H new ATOM 1094 N LEU A 68 11.359 -0.633 -0.934 1.00 0.00 N ATOM 1095 CA LEU A 68 11.292 0.618 -1.670 1.00 0.00 C ATOM 1096 C LEU A 68 12.429 1.534 -1.213 1.00 0.00 C ATOM 1097 O LEU A 68 12.735 2.526 -1.873 1.00 0.00 O ATOM 1098 CB LEU A 68 9.904 1.247 -1.534 1.00 0.00 C ATOM 1099 CG LEU A 68 8.798 0.620 -2.386 1.00 0.00 C ATOM 1100 CD1 LEU A 68 7.445 0.706 -1.677 1.00 0.00 C ATOM 1101 CD2 LEU A 68 8.756 1.249 -3.780 1.00 0.00 C ATOM 0 H LEU A 68 10.731 -0.690 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 68 11.433 0.440 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.604 1.194 -0.488 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.979 2.304 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 68 9.026 -0.438 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.676 0.253 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.498 0.175 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.196 1.751 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.961 0.785 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.564 2.318 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.712 1.092 -4.279 1.00 0.00 H new ATOM 1113 N GLY A 69 13.024 1.169 -0.087 1.00 0.00 N ATOM 1114 CA GLY A 69 14.121 1.946 0.466 1.00 0.00 C ATOM 1115 C GLY A 69 13.798 3.441 0.445 1.00 0.00 C ATOM 1116 O GLY A 69 14.702 4.276 0.486 1.00 0.00 O ATOM 0 H GLY A 69 12.767 0.346 0.458 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.318 1.627 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.029 1.758 -0.107 1.00 0.00 H new ATOM 1120 N VAL A 70 12.508 3.735 0.383 1.00 0.00 N ATOM 1121 CA VAL A 70 12.055 5.115 0.356 1.00 0.00 C ATOM 1122 C VAL A 70 10.785 5.247 1.200 1.00 0.00 C ATOM 1123 O VAL A 70 10.075 4.266 1.416 1.00 0.00 O ATOM 1124 CB VAL A 70 11.863 5.576 -1.090 1.00 0.00 C ATOM 1125 CG1 VAL A 70 13.158 5.425 -1.890 1.00 0.00 C ATOM 1126 CG2 VAL A 70 10.714 4.818 -1.758 1.00 0.00 C ATOM 0 H VAL A 70 11.762 3.041 0.351 1.00 0.00 H new ATOM 0 HA VAL A 70 12.806 5.772 0.794 1.00 0.00 H new ATOM 0 HB VAL A 70 11.602 6.634 -1.073 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.994 5.760 -2.914 1.00 0.00 H new ATOM 0 HG12 VAL A 70 13.941 6.029 -1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 70 13.463 4.379 -1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 70 10.598 5.164 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.934 3.750 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.791 4.999 -1.208 1.00 0.00 H new ATOM 1136 N ARG A 71 10.537 6.467 1.652 1.00 0.00 N ATOM 1137 CA ARG A 71 9.365 6.740 2.467 1.00 0.00 C ATOM 1138 C ARG A 71 8.129 6.077 1.856 1.00 0.00 C ATOM 1139 O ARG A 71 7.797 6.323 0.698 1.00 0.00 O ATOM 1140 CB ARG A 71 9.120 8.245 2.592 1.00 0.00 C ATOM 1141 CG ARG A 71 10.317 8.944 3.239 1.00 0.00 C ATOM 1142 CD ARG A 71 9.877 10.203 3.989 1.00 0.00 C ATOM 1143 NE ARG A 71 9.832 9.936 5.444 1.00 0.00 N ATOM 1144 CZ ARG A 71 9.429 10.828 6.359 1.00 0.00 C ATOM 1145 NH1 ARG A 71 9.035 12.050 5.976 1.00 0.00 N ATOM 1146 NH2 ARG A 71 9.421 10.497 7.658 1.00 0.00 N ATOM 0 H ARG A 71 11.128 7.278 1.469 1.00 0.00 H new ATOM 0 HA ARG A 71 9.548 6.330 3.460 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.936 8.670 1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.225 8.423 3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 71 10.813 8.260 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 71 11.046 9.209 2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 71 10.568 11.020 3.782 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.895 10.520 3.639 1.00 0.00 H new ATOM 0 HE ARG A 71 10.126 9.016 5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.042 12.302 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.728 12.729 6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.722 9.567 7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.114 11.175 8.355 1.00 0.00 H new ATOM 1160 N VAL A 72 7.481 5.249 2.663 1.00 0.00 N ATOM 1161 CA VAL A 72 6.289 4.549 2.217 1.00 0.00 C ATOM 1162 C VAL A 72 5.210 4.649 3.297 1.00 0.00 C ATOM 1163 O VAL A 72 5.503 4.528 4.486 1.00 0.00 O ATOM 1164 CB VAL A 72 6.636 3.105 1.850 1.00 0.00 C ATOM 1165 CG1 VAL A 72 5.370 2.279 1.617 1.00 0.00 C ATOM 1166 CG2 VAL A 72 7.556 3.056 0.629 1.00 0.00 C ATOM 0 H VAL A 72 7.760 5.048 3.623 1.00 0.00 H new ATOM 0 HA VAL A 72 5.890 5.012 1.315 1.00 0.00 H new ATOM 0 HB VAL A 72 7.172 2.665 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.645 1.257 1.358 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.767 2.273 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.794 2.718 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.787 2.018 0.389 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.058 3.522 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.479 3.592 0.847 1.00 0.00 H new ATOM 1176 N ASP A 73 3.984 4.868 2.845 1.00 0.00 N ATOM 1177 CA ASP A 73 2.860 4.985 3.759 1.00 0.00 C ATOM 1178 C ASP A 73 1.814 3.924 3.411 1.00 0.00 C ATOM 1179 O ASP A 73 1.443 3.769 2.249 1.00 0.00 O ATOM 1180 CB ASP A 73 2.196 6.359 3.642 1.00 0.00 C ATOM 1181 CG ASP A 73 0.802 6.459 4.263 1.00 0.00 C ATOM 1182 OD1 ASP A 73 0.459 5.540 5.039 1.00 0.00 O ATOM 1183 OD2 ASP A 73 0.110 7.451 3.949 1.00 0.00 O ATOM 0 H ASP A 73 3.744 4.967 1.859 1.00 0.00 H new ATOM 0 HA ASP A 73 3.234 4.850 4.774 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.842 7.099 4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.127 6.624 2.587 1.00 0.00 H new ATOM 1188 N ILE A 74 1.366 3.221 4.441 1.00 0.00 N ATOM 1189 CA ILE A 74 0.370 2.179 4.260 1.00 0.00 C ATOM 1190 C ILE A 74 -0.892 2.544 5.043 1.00 0.00 C ATOM 1191 O ILE A 74 -0.810 3.136 6.118 1.00 0.00 O ATOM 1192 CB ILE A 74 0.950 0.812 4.631 1.00 0.00 C ATOM 1193 CG1 ILE A 74 2.122 0.448 3.717 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -0.137 -0.264 4.626 1.00 0.00 C ATOM 1195 CD1 ILE A 74 2.722 -0.904 4.108 1.00 0.00 C ATOM 0 H ILE A 74 1.675 3.353 5.404 1.00 0.00 H new ATOM 0 HA ILE A 74 0.084 2.104 3.211 1.00 0.00 H new ATOM 0 HB ILE A 74 1.340 0.870 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 74 1.783 0.414 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.888 1.221 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 74 0.302 -1.226 4.893 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.909 -0.004 5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.579 -0.330 3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.553 -1.139 3.443 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.081 -0.859 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.960 -1.678 4.024 1.00 0.00 H new ATOM 1207 N VAL A 75 -2.031 2.176 4.474 1.00 0.00 N ATOM 1208 CA VAL A 75 -3.309 2.458 5.106 1.00 0.00 C ATOM 1209 C VAL A 75 -4.097 1.155 5.254 1.00 0.00 C ATOM 1210 O VAL A 75 -4.004 0.269 4.406 1.00 0.00 O ATOM 1211 CB VAL A 75 -4.062 3.525 4.309 1.00 0.00 C ATOM 1212 CG1 VAL A 75 -5.529 3.596 4.738 1.00 0.00 C ATOM 1213 CG2 VAL A 75 -3.385 4.890 4.446 1.00 0.00 C ATOM 0 H VAL A 75 -2.095 1.685 3.582 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.160 2.864 6.107 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.034 3.240 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.042 4.362 4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.005 2.631 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.587 3.846 5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.940 5.631 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.368 5.184 5.495 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.364 4.829 4.070 1.00 0.00 H new ATOM 1223 N SER A 76 -4.856 1.080 6.337 1.00 0.00 N ATOM 1224 CA SER A 76 -5.660 -0.099 6.608 1.00 0.00 C ATOM 1225 C SER A 76 -7.132 0.191 6.307 1.00 0.00 C ATOM 1226 O SER A 76 -7.687 1.174 6.796 1.00 0.00 O ATOM 1227 CB SER A 76 -5.495 -0.558 8.058 1.00 0.00 C ATOM 1228 OG SER A 76 -5.444 0.541 8.963 1.00 0.00 O ATOM 0 H SER A 76 -4.931 1.817 7.038 1.00 0.00 H new ATOM 0 HA SER A 76 -5.315 -0.904 5.960 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.324 -1.212 8.328 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.582 -1.146 8.150 1.00 0.00 H new ATOM 0 HG SER A 76 -5.340 0.207 9.878 1.00 0.00 H new ATOM 1234 N GLU A 77 -7.722 -0.682 5.504 1.00 0.00 N ATOM 1235 CA GLU A 77 -9.119 -0.532 5.132 1.00 0.00 C ATOM 1236 C GLU A 77 -9.976 -0.285 6.376 1.00 0.00 C ATOM 1237 O GLU A 77 -10.929 0.492 6.334 1.00 0.00 O ATOM 1238 CB GLU A 77 -9.615 -1.755 4.359 1.00 0.00 C ATOM 1239 CG GLU A 77 -9.467 -1.547 2.851 1.00 0.00 C ATOM 1240 CD GLU A 77 -9.876 -2.805 2.081 1.00 0.00 C ATOM 1241 OE1 GLU A 77 -10.963 -3.336 2.397 1.00 0.00 O ATOM 1242 OE2 GLU A 77 -9.092 -3.207 1.194 1.00 0.00 O ATOM 0 H GLU A 77 -7.258 -1.496 5.100 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.209 0.333 4.475 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.051 -2.636 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.660 -1.944 4.603 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.084 -0.706 2.534 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.434 -1.292 2.615 1.00 0.00 H new ATOM 1249 N ARG A 78 -9.605 -0.960 7.454 1.00 0.00 N ATOM 1250 CA ARG A 78 -10.328 -0.823 8.708 1.00 0.00 C ATOM 1251 C ARG A 78 -10.155 0.590 9.268 1.00 0.00 C ATOM 1252 O ARG A 78 -11.135 1.249 9.612 1.00 0.00 O ATOM 1253 CB ARG A 78 -9.835 -1.838 9.741 1.00 0.00 C ATOM 1254 CG ARG A 78 -10.961 -2.786 10.158 1.00 0.00 C ATOM 1255 CD ARG A 78 -10.780 -3.248 11.606 1.00 0.00 C ATOM 1256 NE ARG A 78 -12.028 -3.022 12.369 1.00 0.00 N ATOM 1257 CZ ARG A 78 -12.160 -3.257 13.681 1.00 0.00 C ATOM 1258 NH1 ARG A 78 -11.120 -3.727 14.385 1.00 0.00 N ATOM 1259 NH2 ARG A 78 -13.330 -3.023 14.290 1.00 0.00 N ATOM 0 H ARG A 78 -8.814 -1.603 7.486 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.383 -1.011 8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.007 -2.412 9.326 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.452 -1.314 10.617 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.923 -2.284 10.050 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.977 -3.651 9.496 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.516 -4.305 11.629 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.957 -2.704 12.070 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.839 -2.665 11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.229 -3.905 13.921 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.220 -3.906 15.384 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.121 -2.666 13.755 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.430 -3.202 15.289 1.00 0.00 H new ATOM 1273 N GLY A 79 -8.902 1.013 9.344 1.00 0.00 N ATOM 1274 CA GLY A 79 -8.588 2.335 9.858 1.00 0.00 C ATOM 1275 C GLY A 79 -9.147 3.426 8.942 1.00 0.00 C ATOM 1276 O GLY A 79 -9.303 4.573 9.359 1.00 0.00 O ATOM 0 H GLY A 79 -8.092 0.463 9.058 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.003 2.448 10.859 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.507 2.448 9.946 1.00 0.00 H new ATOM 1280 N LEU A 80 -9.434 3.030 7.710 1.00 0.00 N ATOM 1281 CA LEU A 80 -9.972 3.959 6.731 1.00 0.00 C ATOM 1282 C LEU A 80 -11.369 4.404 7.171 1.00 0.00 C ATOM 1283 O LEU A 80 -11.828 4.040 8.253 1.00 0.00 O ATOM 1284 CB LEU A 80 -9.936 3.344 5.331 1.00 0.00 C ATOM 1285 CG LEU A 80 -8.914 3.943 4.362 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -8.969 3.240 3.004 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -9.103 5.455 4.232 1.00 0.00 C ATOM 0 H LEU A 80 -9.304 2.078 7.368 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.353 4.855 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.733 2.278 5.429 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.927 3.440 4.888 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.917 3.777 4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.233 3.685 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -8.748 2.180 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.965 3.353 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.364 5.856 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.105 5.666 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.975 5.923 5.208 1.00 0.00 H new ATOM 1299 N ALA A 81 -12.005 5.184 6.310 1.00 0.00 N ATOM 1300 CA ALA A 81 -13.340 5.683 6.596 1.00 0.00 C ATOM 1301 C ALA A 81 -14.340 5.021 5.646 1.00 0.00 C ATOM 1302 O ALA A 81 -13.948 4.400 4.660 1.00 0.00 O ATOM 1303 CB ALA A 81 -13.350 7.208 6.484 1.00 0.00 C ATOM 0 H ALA A 81 -11.621 5.483 5.414 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.635 5.430 7.614 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.351 7.582 6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.644 7.630 7.199 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.062 7.501 5.474 1.00 0.00 H new ATOM 1309 N PRO A 82 -15.647 5.181 5.986 1.00 0.00 N ATOM 1310 CA PRO A 82 -16.707 4.607 5.175 1.00 0.00 C ATOM 1311 C PRO A 82 -16.909 5.409 3.888 1.00 0.00 C ATOM 1312 O PRO A 82 -17.047 4.834 2.810 1.00 0.00 O ATOM 1313 CB PRO A 82 -17.934 4.607 6.073 1.00 0.00 C ATOM 1314 CG PRO A 82 -17.637 5.601 7.184 1.00 0.00 C ATOM 1315 CD PRO A 82 -16.149 5.910 7.148 1.00 0.00 C ATOM 0 HA PRO A 82 -16.477 3.597 4.837 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.825 4.898 5.517 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -18.121 3.613 6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.219 6.512 7.047 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -17.917 5.186 8.152 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -15.969 6.981 7.052 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.655 5.585 8.063 1.00 0.00 H new ATOM 1323 N ARG A 83 -16.919 6.724 4.044 1.00 0.00 N ATOM 1324 CA ARG A 83 -17.101 7.611 2.907 1.00 0.00 C ATOM 1325 C ARG A 83 -15.796 7.737 2.118 1.00 0.00 C ATOM 1326 O ARG A 83 -15.815 8.016 0.920 1.00 0.00 O ATOM 1327 CB ARG A 83 -17.551 9.002 3.360 1.00 0.00 C ATOM 1328 CG ARG A 83 -16.442 9.709 4.141 1.00 0.00 C ATOM 1329 CD ARG A 83 -16.798 11.177 4.391 1.00 0.00 C ATOM 1330 NE ARG A 83 -16.303 11.599 5.720 1.00 0.00 N ATOM 1331 CZ ARG A 83 -16.732 11.082 6.880 1.00 0.00 C ATOM 1332 NH1 ARG A 83 -17.666 10.122 6.881 1.00 0.00 N ATOM 1333 NH2 ARG A 83 -16.226 11.526 8.038 1.00 0.00 N ATOM 0 H ARG A 83 -16.804 7.197 4.940 1.00 0.00 H new ATOM 0 HA ARG A 83 -17.874 7.180 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -17.827 9.600 2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -18.441 8.915 3.983 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -16.283 9.202 5.093 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.506 9.647 3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.359 11.803 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -17.878 11.312 4.337 1.00 0.00 H new ATOM 0 HE ARG A 83 -15.591 12.329 5.756 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.051 9.784 5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -17.992 9.729 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.515 12.257 8.037 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.552 11.133 8.921 1.00 0.00 H new ATOM 1347 N LEU A 84 -14.693 7.525 2.821 1.00 0.00 N ATOM 1348 CA LEU A 84 -13.382 7.611 2.202 1.00 0.00 C ATOM 1349 C LEU A 84 -13.057 6.281 1.519 1.00 0.00 C ATOM 1350 O LEU A 84 -12.591 6.261 0.381 1.00 0.00 O ATOM 1351 CB LEU A 84 -12.333 8.050 3.226 1.00 0.00 C ATOM 1352 CG LEU A 84 -12.332 9.536 3.591 1.00 0.00 C ATOM 1353 CD1 LEU A 84 -11.184 9.865 4.547 1.00 0.00 C ATOM 1354 CD2 LEU A 84 -12.300 10.409 2.335 1.00 0.00 C ATOM 0 H LEU A 84 -14.681 7.294 3.814 1.00 0.00 H new ATOM 0 HA LEU A 84 -13.376 8.377 1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.481 7.472 4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.347 7.790 2.841 1.00 0.00 H new ATOM 0 HG LEU A 84 -13.261 9.760 4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.206 10.927 4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.293 9.281 5.461 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.234 9.621 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -12.300 11.460 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.399 10.189 1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -13.178 10.200 1.724 1.00 0.00 H new ATOM 1366 N ARG A 85 -13.315 5.202 2.244 1.00 0.00 N ATOM 1367 CA ARG A 85 -13.055 3.871 1.722 1.00 0.00 C ATOM 1368 C ARG A 85 -13.730 3.694 0.361 1.00 0.00 C ATOM 1369 O ARG A 85 -13.091 3.274 -0.603 1.00 0.00 O ATOM 1370 CB ARG A 85 -13.567 2.795 2.681 1.00 0.00 C ATOM 1371 CG ARG A 85 -13.538 1.414 2.022 1.00 0.00 C ATOM 1372 CD ARG A 85 -13.654 0.304 3.069 1.00 0.00 C ATOM 1373 NE ARG A 85 -14.242 -0.909 2.457 1.00 0.00 N ATOM 1374 CZ ARG A 85 -15.523 -1.015 2.081 1.00 0.00 C ATOM 1375 NH1 ARG A 85 -16.359 0.019 2.251 1.00 0.00 N ATOM 1376 NH2 ARG A 85 -15.969 -2.154 1.534 1.00 0.00 N ATOM 0 H ARG A 85 -13.701 5.222 3.188 1.00 0.00 H new ATOM 0 HA ARG A 85 -11.976 3.762 1.613 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -12.954 2.785 3.582 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.585 3.033 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.356 1.331 1.307 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -12.611 1.294 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -12.670 0.075 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -14.275 0.640 3.900 1.00 0.00 H new ATOM 0 HE ARG A 85 -13.633 -1.715 2.313 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -16.019 0.886 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -17.335 -0.062 1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -15.333 -2.941 1.404 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -16.945 -2.234 1.248 1.00 0.00 H new ATOM 1390 N GLU A 86 -15.013 4.022 0.324 1.00 0.00 N ATOM 1391 CA GLU A 86 -15.782 3.904 -0.903 1.00 0.00 C ATOM 1392 C GLU A 86 -15.106 4.688 -2.030 1.00 0.00 C ATOM 1393 O GLU A 86 -15.045 4.221 -3.166 1.00 0.00 O ATOM 1394 CB GLU A 86 -17.223 4.374 -0.695 1.00 0.00 C ATOM 1395 CG GLU A 86 -18.170 3.690 -1.683 1.00 0.00 C ATOM 1396 CD GLU A 86 -17.927 4.186 -3.110 1.00 0.00 C ATOM 1397 OE1 GLU A 86 -18.150 5.394 -3.337 1.00 0.00 O ATOM 1398 OE2 GLU A 86 -17.522 3.345 -3.941 1.00 0.00 O ATOM 0 H GLU A 86 -15.540 4.370 1.125 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.816 2.852 -1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.537 4.156 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -17.279 5.455 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -18.027 2.610 -1.640 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -19.203 3.887 -1.397 1.00 0.00 H new ATOM 1405 N GLN A 87 -14.615 5.867 -1.675 1.00 0.00 N ATOM 1406 CA GLN A 87 -13.947 6.720 -2.642 1.00 0.00 C ATOM 1407 C GLN A 87 -12.578 6.140 -3.005 1.00 0.00 C ATOM 1408 O GLN A 87 -12.149 6.225 -4.155 1.00 0.00 O ATOM 1409 CB GLN A 87 -13.813 8.149 -2.113 1.00 0.00 C ATOM 1410 CG GLN A 87 -15.016 9.001 -2.524 1.00 0.00 C ATOM 1411 CD GLN A 87 -14.568 10.249 -3.289 1.00 0.00 C ATOM 1412 OE1 GLN A 87 -13.576 10.250 -3.999 1.00 0.00 O ATOM 1413 NE2 GLN A 87 -15.353 11.307 -3.105 1.00 0.00 N ATOM 0 H GLN A 87 -14.667 6.251 -0.731 1.00 0.00 H new ATOM 0 HA GLN A 87 -14.556 6.757 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.729 8.132 -1.026 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.897 8.598 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.689 8.411 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.578 9.295 -1.637 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -16.169 11.237 -2.497 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.139 12.188 -3.572 1.00 0.00 H new ATOM 1422 N VAL A 88 -11.931 5.564 -2.003 1.00 0.00 N ATOM 1423 CA VAL A 88 -10.620 4.970 -2.203 1.00 0.00 C ATOM 1424 C VAL A 88 -10.743 3.779 -3.155 1.00 0.00 C ATOM 1425 O VAL A 88 -9.999 3.679 -4.129 1.00 0.00 O ATOM 1426 CB VAL A 88 -10.005 4.594 -0.853 1.00 0.00 C ATOM 1427 CG1 VAL A 88 -8.610 3.992 -1.034 1.00 0.00 C ATOM 1428 CG2 VAL A 88 -9.963 5.802 0.086 1.00 0.00 C ATOM 0 H VAL A 88 -12.290 5.496 -1.051 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.943 5.688 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.640 3.836 -0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.196 3.734 -0.059 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -8.678 3.094 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.961 4.718 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.522 5.508 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.362 6.592 -0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.976 6.168 0.253 1.00 0.00 H new ATOM 1438 N LEU A 89 -11.690 2.907 -2.841 1.00 0.00 N ATOM 1439 CA LEU A 89 -11.920 1.727 -3.657 1.00 0.00 C ATOM 1440 C LEU A 89 -12.208 2.156 -5.097 1.00 0.00 C ATOM 1441 O LEU A 89 -11.968 1.397 -6.035 1.00 0.00 O ATOM 1442 CB LEU A 89 -13.020 0.858 -3.044 1.00 0.00 C ATOM 1443 CG LEU A 89 -12.832 0.476 -1.574 1.00 0.00 C ATOM 1444 CD1 LEU A 89 -14.181 0.266 -0.885 1.00 0.00 C ATOM 1445 CD2 LEU A 89 -11.922 -0.747 -1.437 1.00 0.00 C ATOM 0 H LEU A 89 -12.307 2.994 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.027 1.102 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.969 1.384 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.101 -0.058 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 89 -12.337 1.304 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.018 -0.005 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -14.762 1.187 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.725 -0.534 -1.387 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -11.805 -0.997 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.366 -1.592 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -10.946 -0.524 -1.867 1.00 0.00 H new ATOM 1457 N ARG A 90 -12.716 3.372 -5.228 1.00 0.00 N ATOM 1458 CA ARG A 90 -13.039 3.912 -6.538 1.00 0.00 C ATOM 1459 C ARG A 90 -11.757 4.227 -7.312 1.00 0.00 C ATOM 1460 O ARG A 90 -11.768 4.282 -8.541 1.00 0.00 O ATOM 1461 CB ARG A 90 -13.880 5.184 -6.418 1.00 0.00 C ATOM 1462 CG ARG A 90 -15.334 4.919 -6.810 1.00 0.00 C ATOM 1463 CD ARG A 90 -16.249 6.041 -6.315 1.00 0.00 C ATOM 1464 NE ARG A 90 -16.178 7.197 -7.237 1.00 0.00 N ATOM 1465 CZ ARG A 90 -16.888 8.323 -7.087 1.00 0.00 C ATOM 1466 NH1 ARG A 90 -17.728 8.452 -6.050 1.00 0.00 N ATOM 1467 NH2 ARG A 90 -16.759 9.320 -7.973 1.00 0.00 N ATOM 0 H ARG A 90 -12.912 3.999 -4.448 1.00 0.00 H new ATOM 0 HA ARG A 90 -13.616 3.159 -7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -13.838 5.557 -5.395 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -13.463 5.962 -7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.412 4.833 -7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -15.660 3.967 -6.390 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -17.276 5.681 -6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -15.953 6.347 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 90 -15.549 7.132 -8.037 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -17.826 7.693 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -18.269 9.309 -5.935 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.120 9.222 -8.762 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -17.300 10.177 -7.858 1.00 0.00 H new ATOM 1481 N GLU A 91 -10.684 4.426 -6.561 1.00 0.00 N ATOM 1482 CA GLU A 91 -9.397 4.734 -7.162 1.00 0.00 C ATOM 1483 C GLU A 91 -8.458 3.531 -7.051 1.00 0.00 C ATOM 1484 O GLU A 91 -7.782 3.175 -8.015 1.00 0.00 O ATOM 1485 CB GLU A 91 -8.775 5.975 -6.520 1.00 0.00 C ATOM 1486 CG GLU A 91 -9.703 7.185 -6.654 1.00 0.00 C ATOM 1487 CD GLU A 91 -9.325 8.032 -7.871 1.00 0.00 C ATOM 1488 OE1 GLU A 91 -8.124 8.027 -8.216 1.00 0.00 O ATOM 1489 OE2 GLU A 91 -10.247 8.667 -8.428 1.00 0.00 O ATOM 0 H GLU A 91 -10.679 4.380 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.554 4.952 -8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.573 5.782 -5.466 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.817 6.192 -6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.735 6.848 -6.747 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.647 7.793 -5.751 1.00 0.00 H new ATOM 1496 N ALA A 92 -8.446 2.937 -5.866 1.00 0.00 N ATOM 1497 CA ALA A 92 -7.601 1.781 -5.617 1.00 0.00 C ATOM 1498 C ALA A 92 -7.620 0.867 -6.844 1.00 0.00 C ATOM 1499 O ALA A 92 -8.679 0.609 -7.414 1.00 0.00 O ATOM 1500 CB ALA A 92 -8.074 1.067 -4.350 1.00 0.00 C ATOM 0 H ALA A 92 -9.008 3.235 -5.068 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.568 2.088 -5.452 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.441 0.200 -4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.013 1.750 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -9.106 0.741 -4.480 1.00 0.00 H new ATOM 1506 N ILE A 93 -6.435 0.403 -7.214 1.00 0.00 N ATOM 1507 CA ILE A 93 -6.302 -0.477 -8.363 1.00 0.00 C ATOM 1508 C ILE A 93 -5.370 -1.636 -8.006 1.00 0.00 C ATOM 1509 O ILE A 93 -4.442 -1.471 -7.215 1.00 0.00 O ATOM 1510 CB ILE A 93 -5.857 0.314 -9.595 1.00 0.00 C ATOM 1511 CG1 ILE A 93 -4.386 0.721 -9.483 1.00 0.00 C ATOM 1512 CG2 ILE A 93 -6.769 1.519 -9.832 1.00 0.00 C ATOM 1513 CD1 ILE A 93 -3.800 1.044 -10.859 1.00 0.00 C ATOM 0 H ILE A 93 -5.559 0.620 -6.739 1.00 0.00 H new ATOM 0 HA ILE A 93 -7.267 -0.912 -8.624 1.00 0.00 H new ATOM 0 HB ILE A 93 -5.946 -0.333 -10.467 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -4.294 1.590 -8.832 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.816 -0.085 -9.021 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -6.431 2.064 -10.713 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.792 1.176 -9.988 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.735 2.177 -8.964 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.754 1.330 -10.751 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.871 0.165 -11.500 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.357 1.867 -11.308 1.00 0.00 H new ATOM 1525 N PRO A 94 -5.655 -2.814 -8.623 1.00 0.00 N ATOM 1526 CA PRO A 94 -4.853 -4.001 -8.379 1.00 0.00 C ATOM 1527 C PRO A 94 -3.507 -3.910 -9.100 1.00 0.00 C ATOM 1528 O PRO A 94 -3.440 -3.461 -10.243 1.00 0.00 O ATOM 1529 CB PRO A 94 -5.709 -5.160 -8.862 1.00 0.00 C ATOM 1530 CG PRO A 94 -6.756 -4.552 -9.780 1.00 0.00 C ATOM 1531 CD PRO A 94 -6.746 -3.047 -9.565 1.00 0.00 C ATOM 0 HA PRO A 94 -4.595 -4.126 -7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.105 -5.897 -9.392 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -6.177 -5.676 -8.023 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.536 -4.791 -10.821 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.741 -4.963 -9.560 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.581 -2.514 -10.502 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -7.697 -2.698 -9.163 1.00 0.00 H new ATOM 1539 N LEU A 95 -2.467 -4.344 -8.402 1.00 0.00 N ATOM 1540 CA LEU A 95 -1.127 -4.318 -8.961 1.00 0.00 C ATOM 1541 C LEU A 95 -0.709 -5.740 -9.341 1.00 0.00 C ATOM 1542 O LEU A 95 -1.466 -6.459 -9.992 1.00 0.00 O ATOM 1543 CB LEU A 95 -0.158 -3.629 -7.997 1.00 0.00 C ATOM 1544 CG LEU A 95 1.262 -4.198 -7.955 1.00 0.00 C ATOM 1545 CD1 LEU A 95 1.258 -5.647 -7.466 1.00 0.00 C ATOM 1546 CD2 LEU A 95 1.952 -4.052 -9.312 1.00 0.00 C ATOM 0 H LEU A 95 -2.526 -4.716 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.107 -3.725 -9.875 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.098 -2.574 -8.265 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.578 -3.679 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 95 1.841 -3.618 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.279 -6.027 -7.446 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.834 -5.691 -6.463 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.657 -6.257 -8.141 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.959 -4.464 -9.254 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.383 -4.590 -10.070 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.007 -2.997 -9.581 1.00 0.00 H new