USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 595 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -0.0627 (180deg=-0.526) USER MOD Single : A 21 ASN : amide:sc= -3.53! C(o=-3.5!,f=-7!) USER MOD Single : A 25 LYS NZ :NH3+ 168:sc= 0.239 (180deg=-0.48!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -0.0202 (180deg=-0.338) USER MOD Single : A 37 THR OG1 : rot 130:sc= -1.94! USER MOD Single : A 40 SER OG : rot 41:sc= 0.0684 USER MOD Single : A 42 THR OG1 : rot -170:sc= 0.0601 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -3.16! C(o=-3.2!,f=-5.7!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 150:sc= -5.62! (180deg=-7.28!) USER MOD Single : A 55 THR OG1 : rot -22:sc= -2.63! USER MOD Single : A 62 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 64 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.41) USER MOD Single : A 67 THR OG1 : rot 93:sc= 1.19 USER MOD Single : A 73 ASN : amide:sc= -1.3 K(o=-1.3,f=-1.9) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= -0.163 (180deg=-0.308) USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= 0.0732 (180deg=0.0168) USER MOD ----------------------------------------------------------------- ATOM 85 N ASP A 7 -1.118 -10.763 -0.020 1.00 16.66 N ATOM 86 CA ASP A 7 -1.797 -12.069 -0.239 1.00 16.66 C ATOM 87 C ASP A 7 -2.777 -12.325 0.906 1.00 16.66 C ATOM 88 O ASP A 7 -3.888 -12.774 0.699 1.00 16.66 O ATOM 89 CB ASP A 7 -0.756 -13.189 -0.281 1.00 16.66 C ATOM 90 CG ASP A 7 0.023 -13.110 -1.596 1.00 16.66 C ATOM 91 OD1 ASP A 7 -0.434 -12.419 -2.491 1.00 50.00 O ATOM 92 OD2 ASP A 7 1.062 -13.742 -1.684 1.00 50.00 O ATOM 0 HA ASP A 7 -2.337 -12.045 -1.185 1.00 16.66 H new ATOM 0 HB2 ASP A 7 -0.074 -13.098 0.564 1.00 16.66 H new ATOM 0 HB3 ASP A 7 -1.246 -14.159 -0.193 1.00 16.66 H new ATOM 97 N LYS A 8 -2.376 -12.037 2.111 1.00 16.66 N ATOM 98 CA LYS A 8 -3.283 -12.256 3.271 1.00 16.66 C ATOM 99 C LYS A 8 -4.616 -11.561 3.005 1.00 16.66 C ATOM 100 O LYS A 8 -5.667 -12.049 3.368 1.00 16.66 O ATOM 101 CB LYS A 8 -2.646 -11.675 4.532 1.00 16.66 C ATOM 102 CG LYS A 8 -1.728 -12.723 5.161 1.00 16.66 C ATOM 103 CD LYS A 8 -1.557 -12.421 6.650 1.00 16.66 C ATOM 104 CE LYS A 8 -0.391 -13.243 7.206 1.00 50.00 C ATOM 105 NZ LYS A 8 0.251 -12.498 8.325 1.00 50.00 N ATOM 0 H LYS A 8 -1.458 -11.659 2.344 1.00 16.66 H new ATOM 0 HA LYS A 8 -3.449 -13.324 3.410 1.00 16.66 H new ATOM 0 HB2 LYS A 8 -2.078 -10.777 4.286 1.00 16.66 H new ATOM 0 HB3 LYS A 8 -3.419 -11.379 5.241 1.00 16.66 H new ATOM 0 HG2 LYS A 8 -2.150 -13.719 5.027 1.00 16.66 H new ATOM 0 HG3 LYS A 8 -0.758 -12.718 4.664 1.00 16.66 H new ATOM 0 HD2 LYS A 8 -1.369 -11.357 6.797 1.00 16.66 H new ATOM 0 HD3 LYS A 8 -2.474 -12.660 7.188 1.00 16.66 H new ATOM 0 HE2 LYS A 8 -0.749 -14.211 7.557 1.00 50.00 H new ATOM 0 HE3 LYS A 8 0.338 -13.439 6.420 1.00 50.00 H new ATOM 0 HZ1 LYS A 8 1.043 -13.055 8.704 1.00 50.00 H new ATOM 0 HZ2 LYS A 8 0.606 -11.585 7.976 1.00 50.00 H new ATOM 0 HZ3 LYS A 8 -0.447 -12.333 9.078 1.00 50.00 H new ATOM 119 N ALA A 9 -4.581 -10.426 2.366 1.00 16.66 N ATOM 120 CA ALA A 9 -5.846 -9.703 2.069 1.00 16.66 C ATOM 121 C ALA A 9 -6.753 -10.623 1.260 1.00 16.66 C ATOM 122 O ALA A 9 -7.928 -10.757 1.536 1.00 16.66 O ATOM 123 CB ALA A 9 -5.540 -8.441 1.261 1.00 16.66 C ATOM 0 H ALA A 9 -3.731 -9.968 2.037 1.00 16.66 H new ATOM 0 HA ALA A 9 -6.339 -9.417 2.998 1.00 16.66 H new ATOM 0 HB1 ALA A 9 -6.469 -7.913 1.045 1.00 16.66 H new ATOM 0 HB2 ALA A 9 -4.879 -7.792 1.836 1.00 16.66 H new ATOM 0 HB3 ALA A 9 -5.053 -8.717 0.326 1.00 16.66 H new ATOM 129 N GLU A 10 -6.210 -11.267 0.269 1.00 16.66 N ATOM 130 CA GLU A 10 -7.035 -12.191 -0.557 1.00 16.66 C ATOM 131 C GLU A 10 -7.471 -13.373 0.309 1.00 16.66 C ATOM 132 O GLU A 10 -8.614 -13.784 0.291 1.00 16.66 O ATOM 133 CB GLU A 10 -6.208 -12.701 -1.740 1.00 16.66 C ATOM 134 CG GLU A 10 -5.597 -11.513 -2.485 1.00 16.66 C ATOM 135 CD GLU A 10 -5.053 -11.983 -3.836 1.00 16.66 C ATOM 136 OE1 GLU A 10 -4.875 -13.180 -3.997 1.00 16.66 O ATOM 137 OE2 GLU A 10 -4.823 -11.140 -4.686 1.00 16.66 O ATOM 0 H GLU A 10 -5.230 -11.195 -0.006 1.00 16.66 H new ATOM 0 HA GLU A 10 -7.912 -11.665 -0.935 1.00 16.66 H new ATOM 0 HB2 GLU A 10 -5.420 -13.366 -1.387 1.00 16.66 H new ATOM 0 HB3 GLU A 10 -6.838 -13.282 -2.414 1.00 16.66 H new ATOM 0 HG2 GLU A 10 -6.349 -10.738 -2.633 1.00 16.66 H new ATOM 0 HG3 GLU A 10 -4.796 -11.071 -1.892 1.00 16.66 H new ATOM 144 N ARG A 11 -6.565 -13.914 1.071 1.00 16.66 N ATOM 145 CA ARG A 11 -6.913 -15.066 1.949 1.00 16.66 C ATOM 146 C ARG A 11 -7.928 -14.617 2.998 1.00 16.66 C ATOM 147 O ARG A 11 -8.848 -15.335 3.339 1.00 16.66 O ATOM 148 CB ARG A 11 -5.649 -15.564 2.651 1.00 16.66 C ATOM 149 CG ARG A 11 -4.774 -16.322 1.651 1.00 16.66 C ATOM 150 CD ARG A 11 -3.645 -17.032 2.398 1.00 50.00 C ATOM 151 NE ARG A 11 -2.679 -16.017 2.890 1.00 50.00 N ATOM 152 CZ ARG A 11 -1.621 -16.387 3.560 1.00 50.00 C ATOM 153 NH1 ARG A 11 -1.503 -17.622 3.967 1.00 50.00 N ATOM 154 NH2 ARG A 11 -0.681 -15.521 3.824 1.00 50.00 N ATOM 0 H ARG A 11 -5.594 -13.607 1.125 1.00 16.66 H new ATOM 0 HA ARG A 11 -7.341 -15.868 1.347 1.00 16.66 H new ATOM 0 HB2 ARG A 11 -5.097 -14.722 3.069 1.00 16.66 H new ATOM 0 HB3 ARG A 11 -5.915 -16.215 3.484 1.00 16.66 H new ATOM 0 HG2 ARG A 11 -5.375 -17.048 1.103 1.00 16.66 H new ATOM 0 HG3 ARG A 11 -4.360 -15.631 0.916 1.00 16.66 H new ATOM 0 HD2 ARG A 11 -4.048 -17.605 3.233 1.00 50.00 H new ATOM 0 HD3 ARG A 11 -3.144 -17.740 1.738 1.00 50.00 H new ATOM 0 HE ARG A 11 -2.842 -15.028 2.704 1.00 50.00 H new ATOM 0 HH11 ARG A 11 -2.238 -18.299 3.762 1.00 50.00 H new ATOM 0 HH12 ARG A 11 -0.676 -17.910 4.490 1.00 50.00 H new ATOM 0 HH21 ARG A 11 -0.773 -14.556 3.507 1.00 50.00 H new ATOM 0 HH22 ARG A 11 0.146 -15.809 4.347 1.00 50.00 H new ATOM 168 N GLU A 12 -7.769 -13.430 3.511 1.00 16.66 N ATOM 169 CA GLU A 12 -8.719 -12.922 4.537 1.00 16.66 C ATOM 170 C GLU A 12 -10.100 -12.740 3.907 1.00 16.66 C ATOM 171 O GLU A 12 -11.110 -13.077 4.491 1.00 16.66 O ATOM 172 CB GLU A 12 -8.218 -11.580 5.071 1.00 16.66 C ATOM 173 CG GLU A 12 -7.237 -11.822 6.220 1.00 16.66 C ATOM 174 CD GLU A 12 -7.034 -10.520 6.999 1.00 16.66 C ATOM 175 OE1 GLU A 12 -7.707 -9.552 6.684 1.00 50.00 O ATOM 176 OE2 GLU A 12 -6.208 -10.513 7.898 1.00 50.00 O ATOM 0 H GLU A 12 -7.018 -12.787 3.262 1.00 16.66 H new ATOM 0 HA GLU A 12 -8.788 -13.637 5.357 1.00 16.66 H new ATOM 0 HB2 GLU A 12 -7.730 -11.019 4.274 1.00 16.66 H new ATOM 0 HB3 GLU A 12 -9.058 -10.978 5.417 1.00 16.66 H new ATOM 0 HG2 GLU A 12 -7.620 -12.599 6.882 1.00 16.66 H new ATOM 0 HG3 GLU A 12 -6.283 -12.177 5.830 1.00 16.66 H new ATOM 183 N ARG A 13 -10.151 -12.210 2.718 1.00 16.66 N ATOM 184 CA ARG A 13 -11.464 -12.010 2.049 1.00 16.66 C ATOM 185 C ARG A 13 -12.079 -13.371 1.732 1.00 16.66 C ATOM 186 O ARG A 13 -13.265 -13.583 1.888 1.00 16.66 O ATOM 187 CB ARG A 13 -11.263 -11.226 0.751 1.00 16.66 C ATOM 188 CG ARG A 13 -10.667 -9.855 1.073 1.00 16.66 C ATOM 189 CD ARG A 13 -10.149 -9.209 -0.214 1.00 16.66 C ATOM 190 NE ARG A 13 -11.292 -8.635 -0.977 1.00 50.00 N ATOM 191 CZ ARG A 13 -11.214 -7.425 -1.459 1.00 50.00 C ATOM 192 NH1 ARG A 13 -11.979 -6.481 -0.983 1.00 50.00 N ATOM 193 NH2 ARG A 13 -10.370 -7.158 -2.419 1.00 50.00 N ATOM 0 H ARG A 13 -9.339 -11.907 2.180 1.00 16.66 H new ATOM 0 HA ARG A 13 -12.129 -11.452 2.708 1.00 16.66 H new ATOM 0 HB2 ARG A 13 -10.601 -11.774 0.081 1.00 16.66 H new ATOM 0 HB3 ARG A 13 -12.215 -11.108 0.233 1.00 16.66 H new ATOM 0 HG2 ARG A 13 -11.422 -9.218 1.534 1.00 16.66 H new ATOM 0 HG3 ARG A 13 -9.855 -9.959 1.793 1.00 16.66 H new ATOM 0 HD2 ARG A 13 -9.428 -8.427 0.024 1.00 16.66 H new ATOM 0 HD3 ARG A 13 -9.628 -9.949 -0.821 1.00 16.66 H new ATOM 0 HE ARG A 13 -12.136 -9.188 -1.123 1.00 50.00 H new ATOM 0 HH11 ARG A 13 -12.639 -6.689 -0.233 1.00 50.00 H new ATOM 0 HH12 ARG A 13 -11.917 -5.535 -1.361 1.00 50.00 H new ATOM 0 HH21 ARG A 13 -9.772 -7.895 -2.792 1.00 50.00 H new ATOM 0 HH22 ARG A 13 -10.309 -6.212 -2.796 1.00 50.00 H new ATOM 207 N ILE A 14 -11.274 -14.301 1.300 1.00 16.66 N ATOM 208 CA ILE A 14 -11.804 -15.654 0.985 1.00 16.66 C ATOM 209 C ILE A 14 -12.195 -16.350 2.288 1.00 16.66 C ATOM 210 O ILE A 14 -13.261 -16.926 2.403 1.00 16.66 O ATOM 211 CB ILE A 14 -10.725 -16.471 0.272 1.00 50.00 C ATOM 212 CG1 ILE A 14 -10.249 -15.713 -0.967 1.00 50.00 C ATOM 213 CG2 ILE A 14 -11.303 -17.824 -0.146 1.00 50.00 C ATOM 214 CD1 ILE A 14 -8.853 -16.200 -1.359 1.00 50.00 C ATOM 0 H ILE A 14 -10.272 -14.181 1.152 1.00 16.66 H new ATOM 0 HA ILE A 14 -12.676 -15.568 0.337 1.00 16.66 H new ATOM 0 HB ILE A 14 -9.883 -16.630 0.946 1.00 50.00 H new ATOM 0 HG12 ILE A 14 -10.945 -15.869 -1.791 1.00 50.00 H new ATOM 0 HG13 ILE A 14 -10.229 -14.642 -0.765 1.00 50.00 H new ATOM 0 HG21 ILE A 14 -10.535 -18.407 -0.654 1.00 50.00 H new ATOM 0 HG22 ILE A 14 -11.642 -18.364 0.738 1.00 50.00 H new ATOM 0 HG23 ILE A 14 -12.145 -17.667 -0.820 1.00 50.00 H new ATOM 0 HD11 ILE A 14 -8.514 -15.659 -2.243 1.00 50.00 H new ATOM 0 HD12 ILE A 14 -8.161 -16.021 -0.536 1.00 50.00 H new ATOM 0 HD13 ILE A 14 -8.888 -17.267 -1.578 1.00 50.00 H new ATOM 226 N PHE A 15 -11.344 -16.295 3.277 1.00 16.66 N ATOM 227 CA PHE A 15 -11.678 -16.946 4.571 1.00 16.66 C ATOM 228 C PHE A 15 -12.918 -16.276 5.157 1.00 16.66 C ATOM 229 O PHE A 15 -13.752 -16.913 5.769 1.00 16.66 O ATOM 230 CB PHE A 15 -10.507 -16.801 5.545 1.00 16.66 C ATOM 231 CG PHE A 15 -10.869 -17.472 6.850 1.00 16.66 C ATOM 232 CD1 PHE A 15 -10.603 -18.834 7.033 1.00 16.66 C ATOM 233 CD2 PHE A 15 -11.479 -16.736 7.874 1.00 16.66 C ATOM 234 CE1 PHE A 15 -10.946 -19.461 8.236 1.00 16.66 C ATOM 235 CE2 PHE A 15 -11.822 -17.363 9.079 1.00 16.66 C ATOM 236 CZ PHE A 15 -11.556 -18.727 9.260 1.00 16.66 C ATOM 0 H PHE A 15 -10.437 -15.829 3.243 1.00 16.66 H new ATOM 0 HA PHE A 15 -11.872 -18.006 4.407 1.00 16.66 H new ATOM 0 HB2 PHE A 15 -9.609 -17.254 5.125 1.00 16.66 H new ATOM 0 HB3 PHE A 15 -10.284 -15.747 5.712 1.00 16.66 H new ATOM 0 HD1 PHE A 15 -10.132 -19.402 6.244 1.00 16.66 H new ATOM 0 HD2 PHE A 15 -11.685 -15.685 7.735 1.00 16.66 H new ATOM 0 HE1 PHE A 15 -10.740 -20.512 8.375 1.00 16.66 H new ATOM 0 HE2 PHE A 15 -12.291 -16.795 9.869 1.00 16.66 H new ATOM 0 HZ PHE A 15 -11.821 -19.211 10.188 1.00 16.66 H new ATOM 246 N LYS A 16 -13.050 -14.993 4.967 1.00 16.66 N ATOM 247 CA LYS A 16 -14.242 -14.279 5.504 1.00 16.66 C ATOM 248 C LYS A 16 -15.492 -14.767 4.770 1.00 16.66 C ATOM 249 O LYS A 16 -16.575 -14.792 5.319 1.00 16.66 O ATOM 250 CB LYS A 16 -14.076 -12.773 5.290 1.00 50.00 C ATOM 251 CG LYS A 16 -13.162 -12.200 6.374 1.00 50.00 C ATOM 252 CD LYS A 16 -13.094 -10.679 6.233 1.00 50.00 C ATOM 253 CE LYS A 16 -12.043 -10.123 7.195 1.00 50.00 C ATOM 254 NZ LYS A 16 -12.356 -10.568 8.583 1.00 50.00 N ATOM 0 H LYS A 16 -12.384 -14.408 4.463 1.00 16.66 H new ATOM 0 HA LYS A 16 -14.341 -14.481 6.570 1.00 16.66 H new ATOM 0 HB2 LYS A 16 -13.654 -12.580 4.304 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -15.048 -12.281 5.322 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -13.539 -12.468 7.361 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -12.164 -12.629 6.287 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -12.842 -10.409 5.207 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -14.068 -10.239 6.448 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -11.051 -10.469 6.906 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -12.028 -9.034 7.145 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -11.849 -9.966 9.263 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -13.380 -10.492 8.749 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -12.057 -11.557 8.706 1.00 50.00 H new ATOM 268 N ARG A 17 -15.348 -15.162 3.534 1.00 16.66 N ATOM 269 CA ARG A 17 -16.525 -15.657 2.769 1.00 16.66 C ATOM 270 C ARG A 17 -16.977 -16.995 3.354 1.00 16.66 C ATOM 271 O ARG A 17 -18.154 -17.283 3.441 1.00 16.66 O ATOM 272 CB ARG A 17 -16.138 -15.850 1.302 1.00 16.66 C ATOM 273 CG ARG A 17 -16.004 -14.485 0.626 1.00 16.66 C ATOM 274 CD ARG A 17 -15.950 -14.673 -0.890 1.00 50.00 C ATOM 275 NE ARG A 17 -15.437 -13.429 -1.529 1.00 50.00 N ATOM 276 CZ ARG A 17 -14.463 -13.494 -2.396 1.00 50.00 C ATOM 277 NH1 ARG A 17 -13.483 -14.335 -2.214 1.00 50.00 N ATOM 278 NH2 ARG A 17 -14.472 -12.718 -3.445 1.00 50.00 N ATOM 0 H ARG A 17 -14.466 -15.163 3.022 1.00 16.66 H new ATOM 0 HA ARG A 17 -17.336 -14.932 2.837 1.00 16.66 H new ATOM 0 HB2 ARG A 17 -15.197 -16.396 1.232 1.00 16.66 H new ATOM 0 HB3 ARG A 17 -16.893 -16.448 0.791 1.00 16.66 H new ATOM 0 HG2 ARG A 17 -16.848 -13.849 0.895 1.00 16.66 H new ATOM 0 HG3 ARG A 17 -15.102 -13.982 0.974 1.00 16.66 H new ATOM 0 HD2 ARG A 17 -15.304 -15.515 -1.140 1.00 50.00 H new ATOM 0 HD3 ARG A 17 -16.943 -14.908 -1.273 1.00 50.00 H new ATOM 0 HE ARG A 17 -15.847 -12.526 -1.289 1.00 50.00 H new ATOM 0 HH11 ARG A 17 -13.477 -14.942 -1.394 1.00 50.00 H new ATOM 0 HH12 ARG A 17 -12.722 -14.386 -2.891 1.00 50.00 H new ATOM 0 HH21 ARG A 17 -15.240 -12.061 -3.587 1.00 50.00 H new ATOM 0 HH22 ARG A 17 -13.712 -12.768 -4.123 1.00 50.00 H new ATOM 292 N PHE A 18 -16.045 -17.813 3.757 1.00 16.66 N ATOM 293 CA PHE A 18 -16.414 -19.135 4.338 1.00 16.66 C ATOM 294 C PHE A 18 -17.087 -18.926 5.694 1.00 16.66 C ATOM 295 O PHE A 18 -18.152 -19.448 5.955 1.00 16.66 O ATOM 296 CB PHE A 18 -15.155 -19.986 4.512 1.00 16.66 C ATOM 297 CG PHE A 18 -14.731 -20.533 3.170 1.00 16.66 C ATOM 298 CD1 PHE A 18 -15.350 -21.678 2.655 1.00 16.66 C ATOM 299 CD2 PHE A 18 -13.719 -19.895 2.442 1.00 16.66 C ATOM 300 CE1 PHE A 18 -14.958 -22.185 1.410 1.00 16.66 C ATOM 301 CE2 PHE A 18 -13.328 -20.402 1.198 1.00 16.66 C ATOM 302 CZ PHE A 18 -13.947 -21.547 0.681 1.00 16.66 C ATOM 0 H PHE A 18 -15.044 -17.624 3.709 1.00 16.66 H new ATOM 0 HA PHE A 18 -17.105 -19.647 3.668 1.00 16.66 H new ATOM 0 HB2 PHE A 18 -14.353 -19.386 4.942 1.00 16.66 H new ATOM 0 HB3 PHE A 18 -15.348 -20.804 5.206 1.00 16.66 H new ATOM 0 HD1 PHE A 18 -16.130 -22.170 3.218 1.00 16.66 H new ATOM 0 HD2 PHE A 18 -13.241 -19.012 2.840 1.00 16.66 H new ATOM 0 HE1 PHE A 18 -15.435 -23.068 1.012 1.00 16.66 H new ATOM 0 HE2 PHE A 18 -12.548 -19.910 0.636 1.00 16.66 H new ATOM 0 HZ PHE A 18 -13.645 -21.938 -0.279 1.00 16.66 H new ATOM 312 N ASP A 19 -16.480 -18.161 6.555 1.00 16.66 N ATOM 313 CA ASP A 19 -17.095 -17.917 7.889 1.00 16.66 C ATOM 314 C ASP A 19 -18.517 -17.384 7.683 1.00 16.66 C ATOM 315 O ASP A 19 -18.715 -16.239 7.327 1.00 16.66 O ATOM 316 CB ASP A 19 -16.255 -16.893 8.660 1.00 16.66 C ATOM 317 CG ASP A 19 -16.517 -17.055 10.153 1.00 16.66 C ATOM 318 OD1 ASP A 19 -17.307 -17.911 10.496 1.00 16.66 O ATOM 319 OD2 ASP A 19 -15.918 -16.325 10.926 1.00 16.66 O ATOM 0 H ASP A 19 -15.587 -17.695 6.394 1.00 16.66 H new ATOM 0 HA ASP A 19 -17.131 -18.843 8.462 1.00 16.66 H new ATOM 0 HB2 ASP A 19 -15.196 -17.038 8.446 1.00 16.66 H new ATOM 0 HB3 ASP A 19 -16.509 -15.882 8.341 1.00 16.66 H new ATOM 324 N ALA A 20 -19.508 -18.216 7.877 1.00 16.66 N ATOM 325 CA ALA A 20 -20.919 -17.774 7.664 1.00 16.66 C ATOM 326 C ALA A 20 -21.328 -16.708 8.685 1.00 16.66 C ATOM 327 O ALA A 20 -21.827 -15.660 8.323 1.00 16.66 O ATOM 328 CB ALA A 20 -21.848 -18.982 7.800 1.00 50.00 C ATOM 0 H ALA A 20 -19.400 -19.186 8.175 1.00 16.66 H new ATOM 0 HA ALA A 20 -20.997 -17.341 6.667 1.00 16.66 H new ATOM 0 HB1 ALA A 20 -22.880 -18.667 7.646 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -21.582 -19.731 7.054 1.00 50.00 H new ATOM 0 HB3 ALA A 20 -21.745 -19.410 8.797 1.00 50.00 H new ATOM 334 N ASN A 21 -21.140 -16.955 9.954 1.00 16.66 N ATOM 335 CA ASN A 21 -21.545 -15.932 10.962 1.00 16.66 C ATOM 336 C ASN A 21 -20.393 -14.954 11.191 1.00 16.66 C ATOM 337 O ASN A 21 -20.595 -13.826 11.596 1.00 16.66 O ATOM 338 CB ASN A 21 -21.943 -16.614 12.278 1.00 16.66 C ATOM 339 CG ASN A 21 -20.736 -17.296 12.926 1.00 16.66 C ATOM 340 OD1 ASN A 21 -19.819 -17.707 12.245 1.00 16.66 O ATOM 341 ND2 ASN A 21 -20.729 -17.427 14.224 1.00 16.66 N ATOM 0 H ASN A 21 -20.729 -17.808 10.333 1.00 16.66 H new ATOM 0 HA ASN A 21 -22.407 -15.380 10.588 1.00 16.66 H new ATOM 0 HB2 ASN A 21 -22.360 -15.876 12.963 1.00 16.66 H new ATOM 0 HB3 ASN A 21 -22.724 -17.351 12.089 1.00 16.66 H new ATOM 0 HD21 ASN A 21 -19.942 -17.882 14.686 1.00 16.66 H new ATOM 0 HD22 ASN A 21 -21.510 -17.074 14.776 1.00 16.66 H new ATOM 348 N GLY A 22 -19.189 -15.369 10.918 1.00 16.66 N ATOM 349 CA GLY A 22 -18.028 -14.454 11.100 1.00 16.66 C ATOM 350 C GLY A 22 -17.553 -14.493 12.553 1.00 16.66 C ATOM 351 O GLY A 22 -17.216 -13.479 13.131 1.00 16.66 O ATOM 0 H GLY A 22 -18.958 -16.302 10.577 1.00 16.66 H new ATOM 0 HA2 GLY A 22 -17.216 -14.748 10.435 1.00 16.66 H new ATOM 0 HA3 GLY A 22 -18.310 -13.437 10.828 1.00 16.66 H new ATOM 355 N ASP A 23 -17.506 -15.653 13.147 1.00 16.66 N ATOM 356 CA ASP A 23 -17.032 -15.737 14.557 1.00 16.66 C ATOM 357 C ASP A 23 -15.545 -16.102 14.570 1.00 16.66 C ATOM 358 O ASP A 23 -14.956 -16.313 15.612 1.00 16.66 O ATOM 359 CB ASP A 23 -17.844 -16.781 15.335 1.00 16.66 C ATOM 360 CG ASP A 23 -17.679 -18.166 14.706 1.00 16.66 C ATOM 361 OD1 ASP A 23 -17.257 -18.235 13.567 1.00 16.66 O ATOM 362 OD2 ASP A 23 -17.991 -19.136 15.377 1.00 16.66 O ATOM 0 H ASP A 23 -17.773 -16.541 12.721 1.00 16.66 H new ATOM 0 HA ASP A 23 -17.171 -14.770 15.040 1.00 16.66 H new ATOM 0 HB2 ASP A 23 -17.515 -16.805 16.374 1.00 16.66 H new ATOM 0 HB3 ASP A 23 -18.897 -16.501 15.340 1.00 16.66 H new ATOM 367 N GLY A 24 -14.929 -16.158 13.417 1.00 16.66 N ATOM 368 CA GLY A 24 -13.475 -16.484 13.358 1.00 16.66 C ATOM 369 C GLY A 24 -13.272 -17.982 13.118 1.00 16.66 C ATOM 370 O GLY A 24 -12.168 -18.433 12.886 1.00 16.66 O ATOM 0 H GLY A 24 -15.372 -15.992 12.513 1.00 16.66 H new ATOM 0 HA2 GLY A 24 -13.000 -15.914 12.559 1.00 16.66 H new ATOM 0 HA3 GLY A 24 -12.992 -16.190 14.290 1.00 16.66 H new ATOM 374 N LYS A 25 -14.316 -18.762 13.181 1.00 16.66 N ATOM 375 CA LYS A 25 -14.154 -20.228 12.966 1.00 16.66 C ATOM 376 C LYS A 25 -15.168 -20.715 11.930 1.00 16.66 C ATOM 377 O LYS A 25 -16.309 -20.281 11.898 1.00 16.66 O ATOM 378 CB LYS A 25 -14.375 -20.969 14.290 1.00 50.00 C ATOM 379 CG LYS A 25 -15.850 -20.892 14.678 1.00 50.00 C ATOM 380 CD LYS A 25 -16.109 -21.820 15.868 1.00 50.00 C ATOM 381 CE LYS A 25 -17.616 -21.978 16.073 1.00 50.00 C ATOM 382 NZ LYS A 25 -18.274 -22.206 14.755 1.00 50.00 N ATOM 0 H LYS A 25 -15.269 -18.450 13.371 1.00 16.66 H new ATOM 0 HA LYS A 25 -13.146 -20.428 12.602 1.00 16.66 H new ATOM 0 HB2 LYS A 25 -14.068 -22.010 14.192 1.00 50.00 H new ATOM 0 HB3 LYS A 25 -13.759 -20.528 15.073 1.00 50.00 H new ATOM 0 HG2 LYS A 25 -16.117 -19.867 14.936 1.00 50.00 H new ATOM 0 HG3 LYS A 25 -16.476 -21.181 13.834 1.00 50.00 H new ATOM 0 HD2 LYS A 25 -15.651 -22.793 15.690 1.00 50.00 H new ATOM 0 HD3 LYS A 25 -15.650 -21.411 16.768 1.00 50.00 H new ATOM 0 HE2 LYS A 25 -17.817 -22.815 16.742 1.00 50.00 H new ATOM 0 HE3 LYS A 25 -18.025 -21.086 16.547 1.00 50.00 H new ATOM 0 HZ1 LYS A 25 -19.256 -22.514 14.906 1.00 50.00 H new ATOM 0 HZ2 LYS A 25 -18.268 -21.322 14.207 1.00 50.00 H new ATOM 0 HZ3 LYS A 25 -17.757 -22.941 14.232 1.00 50.00 H new ATOM 396 N ILE A 26 -14.757 -21.626 11.090 1.00 16.66 N ATOM 397 CA ILE A 26 -15.679 -22.164 10.053 1.00 16.66 C ATOM 398 C ILE A 26 -15.981 -23.632 10.355 1.00 16.66 C ATOM 399 O ILE A 26 -15.097 -24.412 10.650 1.00 16.66 O ATOM 400 CB ILE A 26 -15.020 -22.053 8.678 1.00 16.66 C ATOM 401 CG1 ILE A 26 -14.294 -20.712 8.566 1.00 16.66 C ATOM 402 CG2 ILE A 26 -16.094 -22.144 7.592 1.00 16.66 C ATOM 403 CD1 ILE A 26 -13.751 -20.548 7.146 1.00 16.66 C ATOM 0 H ILE A 26 -13.817 -22.022 11.079 1.00 16.66 H new ATOM 0 HA ILE A 26 -16.607 -21.592 10.059 1.00 16.66 H new ATOM 0 HB ILE A 26 -14.303 -22.864 8.551 1.00 16.66 H new ATOM 0 HG12 ILE A 26 -14.976 -19.895 8.803 1.00 16.66 H new ATOM 0 HG13 ILE A 26 -13.478 -20.666 9.287 1.00 16.66 H new ATOM 0 HG21 ILE A 26 -15.627 -22.065 6.610 1.00 16.66 H new ATOM 0 HG22 ILE A 26 -16.612 -23.100 7.672 1.00 16.66 H new ATOM 0 HG23 ILE A 26 -16.810 -21.332 7.719 1.00 16.66 H new ATOM 0 HD11 ILE A 26 -13.233 -19.593 7.063 1.00 16.66 H new ATOM 0 HD12 ILE A 26 -13.056 -21.358 6.926 1.00 16.66 H new ATOM 0 HD13 ILE A 26 -14.577 -20.576 6.435 1.00 16.66 H new ATOM 415 N SER A 27 -17.224 -24.013 10.279 1.00 16.66 N ATOM 416 CA SER A 27 -17.591 -25.427 10.552 1.00 16.66 C ATOM 417 C SER A 27 -17.929 -26.109 9.227 1.00 16.66 C ATOM 418 O SER A 27 -18.098 -25.459 8.215 1.00 16.66 O ATOM 419 CB SER A 27 -18.812 -25.470 11.474 1.00 50.00 C ATOM 420 OG SER A 27 -19.990 -25.271 10.709 1.00 50.00 O ATOM 0 H SER A 27 -18.005 -23.402 10.038 1.00 16.66 H new ATOM 0 HA SER A 27 -16.760 -25.941 11.035 1.00 16.66 H new ATOM 0 HB2 SER A 27 -18.858 -26.429 11.989 1.00 50.00 H new ATOM 0 HB3 SER A 27 -18.729 -24.700 12.241 1.00 50.00 H new ATOM 0 HG SER A 27 -20.772 -25.300 11.299 1.00 50.00 H new ATOM 426 N ALA A 28 -18.031 -27.406 9.218 1.00 16.66 N ATOM 427 CA ALA A 28 -18.360 -28.102 7.946 1.00 16.66 C ATOM 428 C ALA A 28 -19.578 -27.434 7.315 1.00 16.66 C ATOM 429 O ALA A 28 -19.608 -27.162 6.133 1.00 16.66 O ATOM 430 CB ALA A 28 -18.666 -29.575 8.228 1.00 50.00 C ATOM 0 H ALA A 28 -17.902 -28.011 10.029 1.00 16.66 H new ATOM 0 HA ALA A 28 -17.513 -28.040 7.263 1.00 16.66 H new ATOM 0 HB1 ALA A 28 -18.907 -30.082 7.294 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -17.795 -30.047 8.683 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -19.514 -29.647 8.909 1.00 50.00 H new ATOM 436 N ALA A 29 -20.585 -27.167 8.095 1.00 16.66 N ATOM 437 CA ALA A 29 -21.801 -26.515 7.543 1.00 16.66 C ATOM 438 C ALA A 29 -21.419 -25.183 6.900 1.00 16.66 C ATOM 439 O ALA A 29 -21.945 -24.806 5.871 1.00 16.66 O ATOM 440 CB ALA A 29 -22.808 -26.270 8.668 1.00 50.00 C ATOM 0 H ALA A 29 -20.618 -27.373 9.093 1.00 16.66 H new ATOM 0 HA ALA A 29 -22.250 -27.165 6.792 1.00 16.66 H new ATOM 0 HB1 ALA A 29 -23.699 -25.792 8.261 1.00 50.00 H new ATOM 0 HB2 ALA A 29 -23.083 -27.221 9.124 1.00 50.00 H new ATOM 0 HB3 ALA A 29 -22.361 -25.622 9.422 1.00 50.00 H new ATOM 446 N GLU A 30 -20.508 -24.464 7.495 1.00 16.66 N ATOM 447 CA GLU A 30 -20.100 -23.160 6.908 1.00 16.66 C ATOM 448 C GLU A 30 -19.185 -23.410 5.711 1.00 16.66 C ATOM 449 O GLU A 30 -19.434 -22.938 4.619 1.00 16.66 O ATOM 450 CB GLU A 30 -19.363 -22.326 7.960 1.00 16.66 C ATOM 451 CG GLU A 30 -20.320 -21.996 9.111 1.00 16.66 C ATOM 452 CD GLU A 30 -19.608 -21.109 10.137 1.00 16.66 C ATOM 453 OE1 GLU A 30 -18.590 -21.524 10.643 1.00 16.66 O ATOM 454 OE2 GLU A 30 -20.094 -20.030 10.401 1.00 16.66 O ATOM 0 H GLU A 30 -20.031 -24.723 8.359 1.00 16.66 H new ATOM 0 HA GLU A 30 -20.985 -22.615 6.581 1.00 16.66 H new ATOM 0 HB2 GLU A 30 -18.500 -22.875 8.336 1.00 16.66 H new ATOM 0 HB3 GLU A 30 -18.985 -21.407 7.512 1.00 16.66 H new ATOM 0 HG2 GLU A 30 -21.204 -21.487 8.727 1.00 16.66 H new ATOM 0 HG3 GLU A 30 -20.663 -22.915 9.586 1.00 16.66 H new ATOM 461 N LEU A 31 -18.132 -24.151 5.901 1.00 16.66 N ATOM 462 CA LEU A 31 -17.209 -24.427 4.765 1.00 16.66 C ATOM 463 C LEU A 31 -17.967 -25.201 3.688 1.00 16.66 C ATOM 464 O LEU A 31 -17.839 -24.936 2.510 1.00 16.66 O ATOM 465 CB LEU A 31 -16.023 -25.260 5.259 1.00 16.66 C ATOM 466 CG LEU A 31 -15.211 -25.755 4.061 1.00 16.66 C ATOM 467 CD1 LEU A 31 -14.481 -24.575 3.416 1.00 16.66 C ATOM 468 CD2 LEU A 31 -14.187 -26.791 4.531 1.00 16.66 C ATOM 0 H LEU A 31 -17.870 -24.577 6.790 1.00 16.66 H new ATOM 0 HA LEU A 31 -16.839 -23.488 4.353 1.00 16.66 H new ATOM 0 HB2 LEU A 31 -15.393 -24.661 5.916 1.00 16.66 H new ATOM 0 HB3 LEU A 31 -16.379 -26.107 5.845 1.00 16.66 H new ATOM 0 HG LEU A 31 -15.881 -26.210 3.332 1.00 16.66 H new ATOM 0 HD11 LEU A 31 -13.902 -24.928 2.562 1.00 16.66 H new ATOM 0 HD12 LEU A 31 -15.209 -23.836 3.081 1.00 16.66 H new ATOM 0 HD13 LEU A 31 -13.811 -24.119 4.145 1.00 16.66 H new ATOM 0 HD21 LEU A 31 -13.608 -27.144 3.677 1.00 16.66 H new ATOM 0 HD22 LEU A 31 -13.517 -26.336 5.260 1.00 16.66 H new ATOM 0 HD23 LEU A 31 -14.705 -27.632 4.991 1.00 16.66 H new ATOM 480 N GLY A 32 -18.762 -26.153 4.088 1.00 16.66 N ATOM 481 CA GLY A 32 -19.538 -26.940 3.094 1.00 16.66 C ATOM 482 C GLY A 32 -20.517 -26.015 2.375 1.00 16.66 C ATOM 483 O GLY A 32 -20.658 -26.061 1.168 1.00 16.66 O ATOM 0 H GLY A 32 -18.907 -26.419 5.062 1.00 16.66 H new ATOM 0 HA2 GLY A 32 -18.864 -27.406 2.375 1.00 16.66 H new ATOM 0 HA3 GLY A 32 -20.079 -27.745 3.592 1.00 16.66 H new ATOM 487 N GLU A 33 -21.198 -25.177 3.105 1.00 16.66 N ATOM 488 CA GLU A 33 -22.171 -24.253 2.464 1.00 16.66 C ATOM 489 C GLU A 33 -21.457 -23.394 1.426 1.00 16.66 C ATOM 490 O GLU A 33 -21.948 -23.189 0.334 1.00 16.66 O ATOM 491 CB GLU A 33 -22.798 -23.354 3.530 1.00 50.00 C ATOM 492 CG GLU A 33 -24.093 -23.992 4.038 1.00 50.00 C ATOM 493 CD GLU A 33 -24.819 -23.010 4.959 1.00 50.00 C ATOM 494 OE1 GLU A 33 -24.349 -21.891 5.088 1.00 50.00 O ATOM 495 OE2 GLU A 33 -25.833 -23.393 5.520 1.00 50.00 O ATOM 0 H GLU A 33 -21.122 -25.093 4.119 1.00 16.66 H new ATOM 0 HA GLU A 33 -22.952 -24.834 1.973 1.00 16.66 H new ATOM 0 HB2 GLU A 33 -22.102 -23.212 4.356 1.00 50.00 H new ATOM 0 HB3 GLU A 33 -23.005 -22.368 3.114 1.00 50.00 H new ATOM 0 HG2 GLU A 33 -24.733 -24.260 3.197 1.00 50.00 H new ATOM 0 HG3 GLU A 33 -23.870 -24.914 4.575 1.00 50.00 H new ATOM 502 N ALA A 34 -20.295 -22.900 1.746 1.00 16.66 N ATOM 503 CA ALA A 34 -19.555 -22.069 0.759 1.00 16.66 C ATOM 504 C ALA A 34 -18.993 -22.990 -0.319 1.00 16.66 C ATOM 505 O ALA A 34 -19.001 -22.674 -1.493 1.00 16.66 O ATOM 506 CB ALA A 34 -18.410 -21.335 1.458 1.00 50.00 C ATOM 0 H ALA A 34 -19.828 -23.035 2.643 1.00 16.66 H new ATOM 0 HA ALA A 34 -20.223 -21.333 0.313 1.00 16.66 H new ATOM 0 HB1 ALA A 34 -17.870 -20.727 0.732 1.00 50.00 H new ATOM 0 HB2 ALA A 34 -18.814 -20.692 2.240 1.00 50.00 H new ATOM 0 HB3 ALA A 34 -17.729 -22.062 1.901 1.00 50.00 H new ATOM 512 N LEU A 35 -18.508 -24.131 0.078 1.00 99.99 N ATOM 513 CA LEU A 35 -17.943 -25.089 -0.908 1.00 99.99 C ATOM 514 C LEU A 35 -19.028 -25.498 -1.904 1.00 99.99 C ATOM 515 O LEU A 35 -18.755 -25.757 -3.060 1.00 99.99 O ATOM 516 CB LEU A 35 -17.431 -26.327 -0.174 1.00 99.99 C ATOM 517 CG LEU A 35 -15.989 -26.093 0.279 1.00 99.99 C ATOM 518 CD1 LEU A 35 -15.447 -27.365 0.933 1.00 99.99 C ATOM 519 CD2 LEU A 35 -15.126 -25.734 -0.932 1.00 99.99 C ATOM 0 H LEU A 35 -18.479 -24.443 1.049 1.00 99.99 H new ATOM 0 HA LEU A 35 -17.120 -24.617 -1.445 1.00 99.99 H new ATOM 0 HB2 LEU A 35 -18.064 -26.539 0.688 1.00 99.99 H new ATOM 0 HB3 LEU A 35 -17.481 -27.197 -0.828 1.00 99.99 H new ATOM 0 HG LEU A 35 -15.962 -25.275 0.999 1.00 99.99 H new ATOM 0 HD11 LEU A 35 -14.419 -27.199 1.256 1.00 99.99 H new ATOM 0 HD12 LEU A 35 -16.062 -27.621 1.796 1.00 99.99 H new ATOM 0 HD13 LEU A 35 -15.473 -28.184 0.214 1.00 99.99 H new ATOM 0 HD21 LEU A 35 -14.098 -25.567 -0.610 1.00 99.99 H new ATOM 0 HD22 LEU A 35 -15.152 -26.551 -1.653 1.00 99.99 H new ATOM 0 HD23 LEU A 35 -15.512 -24.827 -1.398 1.00 99.99 H new ATOM 531 N LYS A 36 -20.258 -25.560 -1.472 1.00 99.99 N ATOM 532 CA LYS A 36 -21.352 -25.956 -2.405 1.00 99.99 C ATOM 533 C LYS A 36 -21.206 -25.184 -3.718 1.00 99.99 C ATOM 534 O LYS A 36 -21.664 -25.617 -4.757 1.00 99.99 O ATOM 535 CB LYS A 36 -22.705 -25.629 -1.771 1.00 99.99 C ATOM 536 CG LYS A 36 -23.372 -26.922 -1.296 1.00 99.99 C ATOM 537 CD LYS A 36 -24.668 -26.584 -0.558 1.00 99.99 C ATOM 538 CE LYS A 36 -24.752 -27.408 0.729 1.00 99.99 C ATOM 539 NZ LYS A 36 -25.511 -26.645 1.759 1.00 99.99 N ATOM 0 H LYS A 36 -20.552 -25.355 -0.517 1.00 99.99 H new ATOM 0 HA LYS A 36 -21.292 -27.026 -2.603 1.00 99.99 H new ATOM 0 HB2 LYS A 36 -22.570 -24.947 -0.931 1.00 99.99 H new ATOM 0 HB3 LYS A 36 -23.344 -25.122 -2.494 1.00 99.99 H new ATOM 0 HG2 LYS A 36 -23.584 -27.569 -2.147 1.00 99.99 H new ATOM 0 HG3 LYS A 36 -22.698 -27.471 -0.638 1.00 99.99 H new ATOM 0 HD2 LYS A 36 -24.699 -25.520 -0.324 1.00 99.99 H new ATOM 0 HD3 LYS A 36 -25.527 -26.795 -1.195 1.00 99.99 H new ATOM 0 HE2 LYS A 36 -25.243 -28.361 0.532 1.00 99.99 H new ATOM 0 HE3 LYS A 36 -23.750 -27.635 1.094 1.00 99.99 H new ATOM 0 HZ1 LYS A 36 -25.226 -26.964 2.707 1.00 99.99 H new ATOM 0 HZ2 LYS A 36 -25.307 -25.630 1.659 1.00 99.99 H new ATOM 0 HZ3 LYS A 36 -26.530 -26.808 1.630 1.00 99.99 H new ATOM 553 N THR A 37 -20.573 -24.044 -3.680 1.00 99.99 N ATOM 554 CA THR A 37 -20.399 -23.248 -4.926 1.00 99.99 C ATOM 555 C THR A 37 -19.802 -24.139 -6.014 1.00 99.99 C ATOM 556 O THR A 37 -19.937 -23.874 -7.192 1.00 99.99 O ATOM 557 CB THR A 37 -19.459 -22.072 -4.650 1.00 99.99 C ATOM 558 OG1 THR A 37 -19.519 -21.156 -5.736 1.00 99.99 O ATOM 559 CG2 THR A 37 -18.027 -22.584 -4.489 1.00 99.99 C ATOM 0 H THR A 37 -20.169 -23.630 -2.840 1.00 99.99 H new ATOM 0 HA THR A 37 -21.365 -22.868 -5.258 1.00 99.99 H new ATOM 0 HB THR A 37 -19.765 -21.570 -3.732 1.00 99.99 H new ATOM 0 HG1 THR A 37 -19.666 -20.250 -5.392 1.00 99.99 H new ATOM 0 HG21 THR A 37 -17.360 -21.744 -4.293 1.00 99.99 H new ATOM 0 HG22 THR A 37 -17.983 -23.285 -3.656 1.00 99.99 H new ATOM 0 HG23 THR A 37 -17.716 -23.088 -5.404 1.00 99.99 H new ATOM 567 N LEU A 38 -19.143 -25.195 -5.627 1.00 16.66 N ATOM 568 CA LEU A 38 -18.539 -26.107 -6.638 1.00 16.66 C ATOM 569 C LEU A 38 -19.641 -26.670 -7.536 1.00 16.66 C ATOM 570 O LEU A 38 -19.439 -26.915 -8.708 1.00 16.66 O ATOM 571 CB LEU A 38 -17.822 -27.257 -5.928 1.00 50.00 C ATOM 572 CG LEU A 38 -16.554 -26.731 -5.252 1.00 50.00 C ATOM 573 CD1 LEU A 38 -15.711 -27.912 -4.765 1.00 50.00 C ATOM 574 CD2 LEU A 38 -15.744 -25.907 -6.254 1.00 50.00 C ATOM 0 H LEU A 38 -18.996 -25.466 -4.655 1.00 16.66 H new ATOM 0 HA LEU A 38 -17.822 -25.553 -7.244 1.00 16.66 H new ATOM 0 HB2 LEU A 38 -18.482 -27.708 -5.186 1.00 50.00 H new ATOM 0 HB3 LEU A 38 -17.567 -28.038 -6.645 1.00 50.00 H new ATOM 0 HG LEU A 38 -16.828 -26.103 -4.404 1.00 50.00 H new ATOM 0 HD11 LEU A 38 -14.807 -27.540 -4.283 1.00 50.00 H new ATOM 0 HD12 LEU A 38 -16.287 -28.500 -4.051 1.00 50.00 H new ATOM 0 HD13 LEU A 38 -15.438 -28.539 -5.614 1.00 50.00 H new ATOM 0 HD21 LEU A 38 -14.841 -25.533 -5.772 1.00 50.00 H new ATOM 0 HD22 LEU A 38 -15.469 -26.534 -7.102 1.00 50.00 H new ATOM 0 HD23 LEU A 38 -16.344 -25.067 -6.603 1.00 50.00 H new ATOM 586 N GLY A 39 -20.808 -26.876 -6.991 1.00 16.66 N ATOM 587 CA GLY A 39 -21.928 -27.421 -7.808 1.00 16.66 C ATOM 588 C GLY A 39 -21.671 -28.900 -8.112 1.00 16.66 C ATOM 589 O GLY A 39 -22.426 -29.537 -8.819 1.00 16.66 O ATOM 0 H GLY A 39 -21.034 -26.690 -6.014 1.00 16.66 H new ATOM 0 HA2 GLY A 39 -22.871 -27.308 -7.272 1.00 16.66 H new ATOM 0 HA3 GLY A 39 -22.020 -26.859 -8.737 1.00 16.66 H new ATOM 593 N SER A 40 -20.609 -29.451 -7.587 1.00 16.66 N ATOM 594 CA SER A 40 -20.310 -30.886 -7.852 1.00 16.66 C ATOM 595 C SER A 40 -19.449 -31.448 -6.720 1.00 16.66 C ATOM 596 O SER A 40 -18.334 -31.881 -6.935 1.00 16.66 O ATOM 597 CB SER A 40 -19.554 -31.008 -9.175 1.00 16.66 C ATOM 598 OG SER A 40 -20.438 -31.476 -10.184 1.00 16.66 O ATOM 0 H SER A 40 -19.938 -28.970 -6.988 1.00 16.66 H new ATOM 0 HA SER A 40 -21.242 -31.448 -7.909 1.00 16.66 H new ATOM 0 HB2 SER A 40 -19.139 -30.041 -9.460 1.00 16.66 H new ATOM 0 HB3 SER A 40 -18.715 -31.695 -9.065 1.00 16.66 H new ATOM 0 HG SER A 40 -21.309 -31.039 -10.084 1.00 16.66 H new ATOM 604 N ILE A 41 -19.953 -31.449 -5.517 1.00 16.66 N ATOM 605 CA ILE A 41 -19.157 -31.988 -4.379 1.00 16.66 C ATOM 606 C ILE A 41 -20.096 -32.653 -3.366 1.00 16.66 C ATOM 607 O ILE A 41 -21.302 -32.601 -3.494 1.00 16.66 O ATOM 608 CB ILE A 41 -18.388 -30.845 -3.705 1.00 16.66 C ATOM 609 CG1 ILE A 41 -17.249 -31.424 -2.862 1.00 16.66 C ATOM 610 CG2 ILE A 41 -19.329 -30.041 -2.803 1.00 50.00 C ATOM 611 CD1 ILE A 41 -16.164 -30.362 -2.674 1.00 16.66 C ATOM 0 H ILE A 41 -20.880 -31.101 -5.273 1.00 16.66 H new ATOM 0 HA ILE A 41 -18.447 -32.728 -4.749 1.00 16.66 H new ATOM 0 HB ILE A 41 -17.980 -30.188 -4.473 1.00 16.66 H new ATOM 0 HG12 ILE A 41 -17.628 -31.748 -1.893 1.00 16.66 H new ATOM 0 HG13 ILE A 41 -16.831 -32.304 -3.351 1.00 16.66 H new ATOM 0 HG21 ILE A 41 -18.775 -29.231 -2.328 1.00 50.00 H new ATOM 0 HG22 ILE A 41 -20.139 -29.624 -3.402 1.00 50.00 H new ATOM 0 HG23 ILE A 41 -19.744 -30.695 -2.036 1.00 50.00 H new ATOM 0 HD11 ILE A 41 -15.352 -30.773 -2.074 1.00 16.66 H new ATOM 0 HD12 ILE A 41 -15.778 -30.060 -3.648 1.00 16.66 H new ATOM 0 HD13 ILE A 41 -16.587 -29.495 -2.166 1.00 16.66 H new ATOM 623 N THR A 42 -19.546 -33.274 -2.359 1.00 16.66 N ATOM 624 CA THR A 42 -20.400 -33.939 -1.335 1.00 16.66 C ATOM 625 C THR A 42 -20.038 -33.387 0.039 1.00 16.66 C ATOM 626 O THR A 42 -19.000 -32.782 0.219 1.00 16.66 O ATOM 627 CB THR A 42 -20.162 -35.461 -1.347 1.00 16.66 C ATOM 628 OG1 THR A 42 -19.414 -35.836 -0.198 1.00 16.66 O ATOM 629 CG2 THR A 42 -19.389 -35.867 -2.604 1.00 16.66 C ATOM 0 H THR A 42 -18.541 -33.350 -2.201 1.00 16.66 H new ATOM 0 HA THR A 42 -21.449 -33.744 -1.559 1.00 16.66 H new ATOM 0 HB THR A 42 -21.128 -35.966 -1.341 1.00 16.66 H new ATOM 0 HG1 THR A 42 -19.128 -36.769 -0.284 1.00 16.66 H new ATOM 0 HG21 THR A 42 -19.228 -36.945 -2.600 1.00 16.66 H new ATOM 0 HG22 THR A 42 -19.962 -35.589 -3.489 1.00 16.66 H new ATOM 0 HG23 THR A 42 -18.426 -35.356 -2.620 1.00 16.66 H new ATOM 637 N PRO A 43 -20.900 -33.620 1.034 1.00 16.66 N ATOM 638 CA PRO A 43 -20.652 -33.162 2.399 1.00 16.66 C ATOM 639 C PRO A 43 -19.501 -33.949 3.019 1.00 16.66 C ATOM 640 O PRO A 43 -18.745 -33.444 3.825 1.00 16.66 O ATOM 641 CB PRO A 43 -21.962 -33.469 3.126 1.00 50.00 C ATOM 642 CG PRO A 43 -22.574 -34.581 2.340 1.00 50.00 C ATOM 643 CD PRO A 43 -22.175 -34.347 0.909 1.00 50.00 C ATOM 0 HA PRO A 43 -20.374 -32.109 2.453 1.00 16.66 H new ATOM 0 HB2 PRO A 43 -21.782 -33.765 4.159 1.00 50.00 H new ATOM 0 HB3 PRO A 43 -22.615 -32.596 3.154 1.00 50.00 H new ATOM 0 HG2 PRO A 43 -22.217 -35.549 2.691 1.00 50.00 H new ATOM 0 HG3 PRO A 43 -23.659 -34.583 2.447 1.00 50.00 H new ATOM 0 HD2 PRO A 43 -22.053 -35.284 0.366 1.00 50.00 H new ATOM 0 HD3 PRO A 43 -22.922 -33.762 0.372 1.00 50.00 H new ATOM 651 N ASP A 44 -19.373 -35.193 2.646 1.00 16.66 N ATOM 652 CA ASP A 44 -18.282 -36.037 3.206 1.00 16.66 C ATOM 653 C ASP A 44 -16.924 -35.529 2.720 1.00 16.66 C ATOM 654 O ASP A 44 -15.909 -35.772 3.343 1.00 16.66 O ATOM 655 CB ASP A 44 -18.475 -37.484 2.748 1.00 50.00 C ATOM 656 CG ASP A 44 -19.799 -38.021 3.297 1.00 50.00 C ATOM 657 OD1 ASP A 44 -20.372 -37.365 4.151 1.00 50.00 O ATOM 658 OD2 ASP A 44 -20.216 -39.077 2.853 1.00 50.00 O ATOM 0 H ASP A 44 -19.980 -35.662 1.974 1.00 16.66 H new ATOM 0 HA ASP A 44 -18.314 -35.986 4.294 1.00 16.66 H new ATOM 0 HB2 ASP A 44 -18.473 -37.535 1.659 1.00 50.00 H new ATOM 0 HB3 ASP A 44 -17.647 -38.101 3.098 1.00 50.00 H new ATOM 663 N GLU A 45 -16.884 -34.825 1.621 1.00 16.66 N ATOM 664 CA GLU A 45 -15.580 -34.311 1.125 1.00 16.66 C ATOM 665 C GLU A 45 -15.249 -33.027 1.874 1.00 16.66 C ATOM 666 O GLU A 45 -14.117 -32.776 2.238 1.00 16.66 O ATOM 667 CB GLU A 45 -15.678 -34.022 -0.375 1.00 16.66 C ATOM 668 CG GLU A 45 -15.798 -35.340 -1.142 1.00 16.66 C ATOM 669 CD GLU A 45 -15.595 -35.080 -2.636 1.00 16.66 C ATOM 670 OE1 GLU A 45 -15.396 -33.931 -2.995 1.00 16.66 O ATOM 671 OE2 GLU A 45 -15.642 -36.034 -3.395 1.00 16.66 O ATOM 0 H GLU A 45 -17.694 -34.586 1.050 1.00 16.66 H new ATOM 0 HA GLU A 45 -14.798 -35.052 1.292 1.00 16.66 H new ATOM 0 HB2 GLU A 45 -16.543 -33.390 -0.579 1.00 16.66 H new ATOM 0 HB3 GLU A 45 -14.797 -33.474 -0.709 1.00 16.66 H new ATOM 0 HG2 GLU A 45 -15.055 -36.052 -0.782 1.00 16.66 H new ATOM 0 HG3 GLU A 45 -16.777 -35.786 -0.969 1.00 16.66 H new ATOM 678 N VAL A 46 -16.239 -32.216 2.119 1.00 16.66 N ATOM 679 CA VAL A 46 -15.994 -30.950 2.858 1.00 16.66 C ATOM 680 C VAL A 46 -15.619 -31.287 4.300 1.00 16.66 C ATOM 681 O VAL A 46 -14.774 -30.652 4.902 1.00 16.66 O ATOM 682 CB VAL A 46 -17.260 -30.093 2.841 1.00 50.00 C ATOM 683 CG1 VAL A 46 -17.121 -28.955 3.854 1.00 50.00 C ATOM 684 CG2 VAL A 46 -17.456 -29.510 1.440 1.00 50.00 C ATOM 0 H VAL A 46 -17.207 -32.376 1.839 1.00 16.66 H new ATOM 0 HA VAL A 46 -15.184 -30.395 2.386 1.00 16.66 H new ATOM 0 HB VAL A 46 -18.121 -30.707 3.105 1.00 50.00 H new ATOM 0 HG11 VAL A 46 -18.024 -28.344 3.841 1.00 50.00 H new ATOM 0 HG12 VAL A 46 -16.978 -29.371 4.851 1.00 50.00 H new ATOM 0 HG13 VAL A 46 -16.262 -28.338 3.592 1.00 50.00 H new ATOM 0 HG21 VAL A 46 -18.358 -28.898 1.423 1.00 50.00 H new ATOM 0 HG22 VAL A 46 -16.595 -28.895 1.178 1.00 50.00 H new ATOM 0 HG23 VAL A 46 -17.555 -30.321 0.719 1.00 50.00 H new ATOM 694 N LYS A 47 -16.237 -32.292 4.853 1.00 16.66 N ATOM 695 CA LYS A 47 -15.916 -32.687 6.251 1.00 16.66 C ATOM 696 C LYS A 47 -14.480 -33.208 6.299 1.00 16.66 C ATOM 697 O LYS A 47 -13.735 -32.929 7.217 1.00 16.66 O ATOM 698 CB LYS A 47 -16.875 -33.789 6.707 1.00 16.66 C ATOM 699 CG LYS A 47 -16.500 -34.239 8.120 1.00 16.66 C ATOM 700 CD LYS A 47 -17.501 -35.290 8.604 1.00 16.66 C ATOM 701 CE LYS A 47 -17.134 -36.654 8.014 1.00 50.00 C ATOM 702 NZ LYS A 47 -18.293 -37.192 7.248 1.00 50.00 N ATOM 0 H LYS A 47 -16.952 -32.858 4.396 1.00 16.66 H new ATOM 0 HA LYS A 47 -16.021 -31.826 6.911 1.00 16.66 H new ATOM 0 HB2 LYS A 47 -17.901 -33.422 6.691 1.00 16.66 H new ATOM 0 HB3 LYS A 47 -16.828 -34.634 6.020 1.00 16.66 H new ATOM 0 HG2 LYS A 47 -15.491 -34.652 8.126 1.00 16.66 H new ATOM 0 HG3 LYS A 47 -16.498 -33.384 8.797 1.00 16.66 H new ATOM 0 HD2 LYS A 47 -17.495 -35.339 9.693 1.00 16.66 H new ATOM 0 HD3 LYS A 47 -18.511 -35.012 8.303 1.00 16.66 H new ATOM 0 HE2 LYS A 47 -16.266 -36.558 7.362 1.00 50.00 H new ATOM 0 HE3 LYS A 47 -16.859 -37.345 8.811 1.00 50.00 H new ATOM 0 HZ1 LYS A 47 -18.044 -38.119 6.847 1.00 50.00 H new ATOM 0 HZ2 LYS A 47 -19.110 -37.298 7.883 1.00 50.00 H new ATOM 0 HZ3 LYS A 47 -18.535 -36.536 6.479 1.00 50.00 H new ATOM 716 N HIS A 48 -14.086 -33.957 5.306 1.00 16.66 N ATOM 717 CA HIS A 48 -12.696 -34.491 5.282 1.00 16.66 C ATOM 718 C HIS A 48 -11.714 -33.326 5.170 1.00 16.66 C ATOM 719 O HIS A 48 -10.671 -33.316 5.796 1.00 16.66 O ATOM 720 CB HIS A 48 -12.526 -35.421 4.079 1.00 16.66 C ATOM 721 CG HIS A 48 -11.105 -35.913 4.025 1.00 16.66 C ATOM 722 ND1 HIS A 48 -10.791 -37.261 3.956 1.00 16.66 N ATOM 723 CD2 HIS A 48 -9.903 -35.248 4.030 1.00 16.66 C ATOM 724 CE1 HIS A 48 -9.450 -37.364 3.924 1.00 50.00 C ATOM 725 NE2 HIS A 48 -8.860 -36.167 3.967 1.00 50.00 N ATOM 0 H HIS A 48 -14.667 -34.222 4.511 1.00 16.66 H new ATOM 0 HA HIS A 48 -12.501 -35.049 6.198 1.00 16.66 H new ATOM 0 HB2 HIS A 48 -13.212 -36.265 4.158 1.00 16.66 H new ATOM 0 HB3 HIS A 48 -12.775 -34.893 3.159 1.00 16.66 H new ATOM 0 HD2 HIS A 48 -9.785 -34.175 4.076 1.00 16.66 H new ATOM 0 HE1 HIS A 48 -8.916 -38.301 3.870 1.00 50.00 H new ATOM 0 HE2 HIS A 48 -7.860 -35.969 3.956 1.00 50.00 H new ATOM 733 N MET A 49 -12.039 -32.334 4.384 1.00 16.66 N ATOM 734 CA MET A 49 -11.127 -31.172 4.246 1.00 16.66 C ATOM 735 C MET A 49 -10.876 -30.585 5.631 1.00 16.66 C ATOM 736 O MET A 49 -9.764 -30.252 5.989 1.00 16.66 O ATOM 737 CB MET A 49 -11.779 -30.120 3.349 1.00 16.66 C ATOM 738 CG MET A 49 -11.552 -30.490 1.882 1.00 16.66 C ATOM 739 SD MET A 49 -11.783 -29.023 0.848 1.00 16.66 S ATOM 740 CE MET A 49 -12.412 -29.876 -0.619 1.00 16.66 C ATOM 0 H MET A 49 -12.897 -32.282 3.834 1.00 16.66 H new ATOM 0 HA MET A 49 -10.183 -31.484 3.800 1.00 16.66 H new ATOM 0 HB2 MET A 49 -12.847 -30.059 3.559 1.00 16.66 H new ATOM 0 HB3 MET A 49 -11.357 -29.137 3.557 1.00 16.66 H new ATOM 0 HG2 MET A 49 -10.546 -30.888 1.748 1.00 16.66 H new ATOM 0 HG3 MET A 49 -12.248 -31.273 1.581 1.00 16.66 H new ATOM 0 HE1 MET A 49 -12.626 -29.147 -1.400 1.00 16.66 H new ATOM 0 HE2 MET A 49 -11.664 -30.583 -0.977 1.00 16.66 H new ATOM 0 HE3 MET A 49 -13.326 -30.413 -0.364 1.00 16.66 H new ATOM 750 N MET A 50 -11.909 -30.469 6.416 1.00 16.66 N ATOM 751 CA MET A 50 -11.747 -29.919 7.784 1.00 16.66 C ATOM 752 C MET A 50 -10.810 -30.828 8.576 1.00 16.66 C ATOM 753 O MET A 50 -9.875 -30.383 9.205 1.00 16.66 O ATOM 754 CB MET A 50 -13.111 -29.868 8.467 1.00 16.66 C ATOM 755 CG MET A 50 -13.956 -28.763 7.831 1.00 16.66 C ATOM 756 SD MET A 50 -15.453 -28.510 8.812 1.00 16.66 S ATOM 757 CE MET A 50 -14.650 -27.801 10.271 1.00 50.00 C ATOM 0 H MET A 50 -12.862 -30.733 6.165 1.00 16.66 H new ATOM 0 HA MET A 50 -11.328 -28.914 7.737 1.00 16.66 H new ATOM 0 HB2 MET A 50 -13.616 -30.829 8.369 1.00 16.66 H new ATOM 0 HB3 MET A 50 -12.989 -29.680 9.534 1.00 16.66 H new ATOM 0 HG2 MET A 50 -13.383 -27.837 7.777 1.00 16.66 H new ATOM 0 HG3 MET A 50 -14.220 -29.035 6.809 1.00 16.66 H new ATOM 0 HE1 MET A 50 -15.333 -27.106 10.761 1.00 50.00 H new ATOM 0 HE2 MET A 50 -14.385 -28.599 10.964 1.00 50.00 H new ATOM 0 HE3 MET A 50 -13.748 -27.270 9.968 1.00 50.00 H new ATOM 767 N ALA A 51 -11.051 -32.104 8.539 1.00 16.66 N ATOM 768 CA ALA A 51 -10.171 -33.050 9.279 1.00 16.66 C ATOM 769 C ALA A 51 -8.722 -32.831 8.844 1.00 16.66 C ATOM 770 O ALA A 51 -7.791 -33.167 9.550 1.00 16.66 O ATOM 771 CB ALA A 51 -10.587 -34.488 8.963 1.00 50.00 C ATOM 0 H ALA A 51 -11.821 -32.536 8.028 1.00 16.66 H new ATOM 0 HA ALA A 51 -10.263 -32.875 10.351 1.00 16.66 H new ATOM 0 HB1 ALA A 51 -9.943 -35.181 9.505 1.00 50.00 H new ATOM 0 HB2 ALA A 51 -11.622 -34.642 9.267 1.00 50.00 H new ATOM 0 HB3 ALA A 51 -10.493 -34.667 7.892 1.00 50.00 H new ATOM 777 N GLU A 52 -8.525 -32.264 7.685 1.00 16.66 N ATOM 778 CA GLU A 52 -7.137 -32.018 7.200 1.00 16.66 C ATOM 779 C GLU A 52 -6.760 -30.561 7.470 1.00 16.66 C ATOM 780 O GLU A 52 -5.636 -30.249 7.806 1.00 16.66 O ATOM 781 CB GLU A 52 -7.064 -32.296 5.698 1.00 16.66 C ATOM 782 CG GLU A 52 -6.881 -33.797 5.465 1.00 16.66 C ATOM 783 CD GLU A 52 -6.513 -34.046 4.002 1.00 16.66 C ATOM 784 OE1 GLU A 52 -6.480 -33.087 3.248 1.00 16.66 O ATOM 785 OE2 GLU A 52 -6.270 -35.192 3.658 1.00 16.66 O ATOM 0 H GLU A 52 -9.266 -31.960 7.053 1.00 16.66 H new ATOM 0 HA GLU A 52 -6.444 -32.677 7.723 1.00 16.66 H new ATOM 0 HB2 GLU A 52 -7.974 -31.950 5.209 1.00 16.66 H new ATOM 0 HB3 GLU A 52 -6.234 -31.745 5.255 1.00 16.66 H new ATOM 0 HG2 GLU A 52 -6.099 -34.184 6.118 1.00 16.66 H new ATOM 0 HG3 GLU A 52 -7.799 -34.329 5.716 1.00 16.66 H new ATOM 792 N ILE A 53 -7.699 -29.669 7.328 1.00 16.66 N ATOM 793 CA ILE A 53 -7.411 -28.230 7.577 1.00 16.66 C ATOM 794 C ILE A 53 -7.442 -27.953 9.080 1.00 16.66 C ATOM 795 O ILE A 53 -6.710 -27.126 9.588 1.00 16.66 O ATOM 796 CB ILE A 53 -8.479 -27.388 6.885 1.00 16.66 C ATOM 797 CG1 ILE A 53 -8.438 -27.656 5.381 1.00 16.66 C ATOM 798 CG2 ILE A 53 -8.209 -25.909 7.155 1.00 16.66 C ATOM 799 CD1 ILE A 53 -9.584 -26.909 4.699 1.00 50.00 C ATOM 0 H ILE A 53 -8.658 -29.876 7.049 1.00 16.66 H new ATOM 0 HA ILE A 53 -6.425 -27.978 7.186 1.00 16.66 H new ATOM 0 HB ILE A 53 -9.464 -27.651 7.271 1.00 16.66 H new ATOM 0 HG12 ILE A 53 -7.482 -27.332 4.969 1.00 16.66 H new ATOM 0 HG13 ILE A 53 -8.522 -28.726 5.189 1.00 16.66 H new ATOM 0 HG21 ILE A 53 -8.970 -25.304 6.662 1.00 16.66 H new ATOM 0 HG22 ILE A 53 -8.238 -25.724 8.229 1.00 16.66 H new ATOM 0 HG23 ILE A 53 -7.226 -25.642 6.767 1.00 16.66 H new ATOM 0 HD11 ILE A 53 -9.555 -27.100 3.626 1.00 50.00 H new ATOM 0 HD12 ILE A 53 -10.535 -27.255 5.104 1.00 50.00 H new ATOM 0 HD13 ILE A 53 -9.480 -25.839 4.880 1.00 50.00 H new ATOM 811 N ASP A 54 -8.284 -28.643 9.795 1.00 16.66 N ATOM 812 CA ASP A 54 -8.377 -28.444 11.264 1.00 16.66 C ATOM 813 C ASP A 54 -7.018 -28.755 11.899 1.00 16.66 C ATOM 814 O ASP A 54 -6.649 -29.899 12.071 1.00 16.66 O ATOM 815 CB ASP A 54 -9.443 -29.399 11.803 1.00 16.66 C ATOM 816 CG ASP A 54 -10.042 -28.846 13.096 1.00 16.66 C ATOM 817 OD1 ASP A 54 -9.703 -27.734 13.456 1.00 16.66 O ATOM 818 OD2 ASP A 54 -10.842 -29.542 13.700 1.00 16.66 O ATOM 0 H ASP A 54 -8.920 -29.346 9.417 1.00 16.66 H new ATOM 0 HA ASP A 54 -8.647 -27.415 11.502 1.00 16.66 H new ATOM 0 HB2 ASP A 54 -10.228 -29.536 11.059 1.00 16.66 H new ATOM 0 HB3 ASP A 54 -9.004 -30.379 11.987 1.00 16.66 H new ATOM 823 N THR A 55 -6.262 -27.742 12.229 1.00 16.66 N ATOM 824 CA THR A 55 -4.916 -27.974 12.829 1.00 16.66 C ATOM 825 C THR A 55 -5.041 -28.446 14.279 1.00 16.66 C ATOM 826 O THR A 55 -4.403 -29.397 14.686 1.00 16.66 O ATOM 827 CB THR A 55 -4.116 -26.670 12.798 1.00 50.00 C ATOM 828 OG1 THR A 55 -4.800 -25.680 13.552 1.00 50.00 O ATOM 829 CG2 THR A 55 -3.958 -26.199 11.352 1.00 50.00 C ATOM 0 H THR A 55 -6.519 -26.762 12.109 1.00 16.66 H new ATOM 0 HA THR A 55 -4.408 -28.745 12.250 1.00 16.66 H new ATOM 0 HB THR A 55 -3.129 -26.838 13.230 1.00 50.00 H new ATOM 0 HG1 THR A 55 -5.749 -25.915 13.615 1.00 50.00 H new ATOM 0 HG21 THR A 55 -3.388 -25.270 11.332 1.00 50.00 H new ATOM 0 HG22 THR A 55 -3.431 -26.960 10.777 1.00 50.00 H new ATOM 0 HG23 THR A 55 -4.942 -26.030 10.915 1.00 50.00 H new ATOM 837 N ASP A 56 -5.845 -27.790 15.062 1.00 16.66 N ATOM 838 CA ASP A 56 -5.989 -28.210 16.487 1.00 16.66 C ATOM 839 C ASP A 56 -7.044 -29.314 16.595 1.00 16.66 C ATOM 840 O ASP A 56 -6.948 -30.196 17.425 1.00 16.66 O ATOM 841 CB ASP A 56 -6.391 -27.007 17.346 1.00 16.66 C ATOM 842 CG ASP A 56 -7.863 -26.673 17.116 1.00 16.66 C ATOM 843 OD1 ASP A 56 -8.284 -26.694 15.974 1.00 16.66 O ATOM 844 OD2 ASP A 56 -8.541 -26.393 18.090 1.00 16.66 O ATOM 0 H ASP A 56 -6.407 -26.986 14.783 1.00 16.66 H new ATOM 0 HA ASP A 56 -5.035 -28.595 16.848 1.00 16.66 H new ATOM 0 HB2 ASP A 56 -6.220 -27.228 18.400 1.00 16.66 H new ATOM 0 HB3 ASP A 56 -5.770 -26.147 17.096 1.00 16.66 H new ATOM 849 N GLY A 57 -8.034 -29.290 15.749 1.00 16.66 N ATOM 850 CA GLY A 57 -9.073 -30.358 15.791 1.00 16.66 C ATOM 851 C GLY A 57 -10.282 -29.916 16.624 1.00 16.66 C ATOM 852 O GLY A 57 -10.980 -30.735 17.188 1.00 16.66 O ATOM 0 H GLY A 57 -8.170 -28.579 15.031 1.00 16.66 H new ATOM 0 HA2 GLY A 57 -9.394 -30.598 14.777 1.00 16.66 H new ATOM 0 HA3 GLY A 57 -8.648 -31.268 16.215 1.00 16.66 H new ATOM 856 N ASP A 58 -10.549 -28.640 16.707 1.00 16.66 N ATOM 857 CA ASP A 58 -11.729 -28.193 17.504 1.00 16.66 C ATOM 858 C ASP A 58 -12.996 -28.337 16.658 1.00 16.66 C ATOM 859 O ASP A 58 -14.094 -28.106 17.123 1.00 16.66 O ATOM 860 CB ASP A 58 -11.559 -26.733 17.932 1.00 50.00 C ATOM 861 CG ASP A 58 -11.705 -25.820 16.715 1.00 50.00 C ATOM 862 OD1 ASP A 58 -11.135 -26.141 15.688 1.00 50.00 O ATOM 863 OD2 ASP A 58 -12.382 -24.812 16.833 1.00 50.00 O ATOM 0 H ASP A 58 -10.010 -27.896 16.264 1.00 16.66 H new ATOM 0 HA ASP A 58 -11.811 -28.813 18.397 1.00 16.66 H new ATOM 0 HB2 ASP A 58 -12.305 -26.475 18.684 1.00 50.00 H new ATOM 0 HB3 ASP A 58 -10.581 -26.590 18.391 1.00 50.00 H new ATOM 868 N GLY A 59 -12.854 -28.728 15.418 1.00 16.66 N ATOM 869 CA GLY A 59 -14.052 -28.897 14.547 1.00 16.66 C ATOM 870 C GLY A 59 -14.226 -27.672 13.647 1.00 16.66 C ATOM 871 O GLY A 59 -15.092 -27.638 12.796 1.00 16.66 O ATOM 0 H GLY A 59 -11.961 -28.937 14.972 1.00 16.66 H new ATOM 0 HA2 GLY A 59 -13.944 -29.794 13.937 1.00 16.66 H new ATOM 0 HA3 GLY A 59 -14.941 -29.035 15.162 1.00 16.66 H new ATOM 875 N PHE A 60 -13.423 -26.659 13.830 1.00 16.66 N ATOM 876 CA PHE A 60 -13.568 -25.443 12.981 1.00 16.66 C ATOM 877 C PHE A 60 -12.209 -24.981 12.449 1.00 16.66 C ATOM 878 O PHE A 60 -11.162 -25.222 13.038 1.00 16.66 O ATOM 879 CB PHE A 60 -14.180 -24.310 13.803 1.00 50.00 C ATOM 880 CG PHE A 60 -15.416 -24.803 14.508 1.00 50.00 C ATOM 881 CD1 PHE A 60 -16.626 -24.896 13.814 1.00 50.00 C ATOM 882 CD2 PHE A 60 -15.353 -25.162 15.858 1.00 50.00 C ATOM 883 CE1 PHE A 60 -17.775 -25.350 14.469 1.00 50.00 C ATOM 884 CE2 PHE A 60 -16.501 -25.617 16.514 1.00 50.00 C ATOM 885 CZ PHE A 60 -17.714 -25.711 15.820 1.00 50.00 C ATOM 0 H PHE A 60 -12.678 -26.621 14.526 1.00 16.66 H new ATOM 0 HA PHE A 60 -14.214 -25.694 12.140 1.00 16.66 H new ATOM 0 HB2 PHE A 60 -13.456 -23.944 14.531 1.00 50.00 H new ATOM 0 HB3 PHE A 60 -14.430 -23.471 13.154 1.00 50.00 H new ATOM 0 HD1 PHE A 60 -16.673 -24.617 12.772 1.00 50.00 H new ATOM 0 HD2 PHE A 60 -14.418 -25.088 16.394 1.00 50.00 H new ATOM 0 HE1 PHE A 60 -18.710 -25.422 13.932 1.00 50.00 H new ATOM 0 HE2 PHE A 60 -16.452 -25.896 17.556 1.00 50.00 H new ATOM 0 HZ PHE A 60 -18.601 -26.062 16.327 1.00 50.00 H new ATOM 895 N ILE A 61 -12.225 -24.291 11.341 1.00 16.66 N ATOM 896 CA ILE A 61 -10.965 -23.775 10.761 1.00 16.66 C ATOM 897 C ILE A 61 -10.896 -22.268 11.021 1.00 16.66 C ATOM 898 O ILE A 61 -11.822 -21.539 10.726 1.00 16.66 O ATOM 899 CB ILE A 61 -10.952 -24.035 9.254 1.00 16.66 C ATOM 900 CG1 ILE A 61 -11.261 -25.512 8.983 1.00 16.66 C ATOM 901 CG2 ILE A 61 -9.573 -23.688 8.691 1.00 16.66 C ATOM 902 CD1 ILE A 61 -10.287 -26.398 9.765 1.00 16.66 C ATOM 0 H ILE A 61 -13.067 -24.064 10.813 1.00 16.66 H new ATOM 0 HA ILE A 61 -10.109 -24.275 11.215 1.00 16.66 H new ATOM 0 HB ILE A 61 -11.708 -23.415 8.772 1.00 16.66 H new ATOM 0 HG12 ILE A 61 -12.287 -25.738 9.275 1.00 16.66 H new ATOM 0 HG13 ILE A 61 -11.180 -25.720 7.916 1.00 16.66 H new ATOM 0 HG21 ILE A 61 -9.562 -23.873 7.617 1.00 16.66 H new ATOM 0 HG22 ILE A 61 -9.357 -22.637 8.881 1.00 16.66 H new ATOM 0 HG23 ILE A 61 -8.817 -24.307 9.174 1.00 16.66 H new ATOM 0 HD11 ILE A 61 -10.511 -27.446 9.569 1.00 16.66 H new ATOM 0 HD12 ILE A 61 -9.266 -26.180 9.452 1.00 16.66 H new ATOM 0 HD13 ILE A 61 -10.390 -26.199 10.832 1.00 16.66 H new ATOM 914 N SER A 62 -9.813 -21.795 11.564 1.00 16.66 N ATOM 915 CA SER A 62 -9.693 -20.338 11.834 1.00 16.66 C ATOM 916 C SER A 62 -8.912 -19.689 10.696 1.00 16.66 C ATOM 917 O SER A 62 -8.283 -20.361 9.903 1.00 16.66 O ATOM 918 CB SER A 62 -8.951 -20.119 13.154 1.00 16.66 C ATOM 919 OG SER A 62 -8.248 -21.303 13.503 1.00 16.66 O ATOM 0 H SER A 62 -9.004 -22.355 11.833 1.00 16.66 H new ATOM 0 HA SER A 62 -10.685 -19.892 11.904 1.00 16.66 H new ATOM 0 HB2 SER A 62 -8.256 -19.285 13.059 1.00 16.66 H new ATOM 0 HB3 SER A 62 -9.657 -19.857 13.942 1.00 16.66 H new ATOM 0 HG SER A 62 -7.771 -21.163 14.348 1.00 16.66 H new ATOM 925 N PHE A 63 -8.941 -18.391 10.603 1.00 16.66 N ATOM 926 CA PHE A 63 -8.191 -17.726 9.510 1.00 16.66 C ATOM 927 C PHE A 63 -6.745 -18.204 9.554 1.00 16.66 C ATOM 928 O PHE A 63 -6.144 -18.508 8.542 1.00 16.66 O ATOM 929 CB PHE A 63 -8.229 -16.211 9.691 1.00 16.66 C ATOM 930 CG PHE A 63 -7.491 -15.573 8.544 1.00 16.66 C ATOM 931 CD1 PHE A 63 -7.896 -15.831 7.231 1.00 16.66 C ATOM 932 CD2 PHE A 63 -6.398 -14.735 8.790 1.00 16.66 C ATOM 933 CE1 PHE A 63 -7.212 -15.250 6.160 1.00 16.66 C ATOM 934 CE2 PHE A 63 -5.712 -14.153 7.719 1.00 16.66 C ATOM 935 CZ PHE A 63 -6.118 -14.411 6.403 1.00 16.66 C ATOM 0 H PHE A 63 -9.448 -17.768 11.232 1.00 16.66 H new ATOM 0 HA PHE A 63 -8.645 -17.976 8.551 1.00 16.66 H new ATOM 0 HB2 PHE A 63 -9.260 -15.859 9.720 1.00 16.66 H new ATOM 0 HB3 PHE A 63 -7.770 -15.931 10.639 1.00 16.66 H new ATOM 0 HD1 PHE A 63 -8.739 -16.480 7.044 1.00 16.66 H new ATOM 0 HD2 PHE A 63 -6.085 -14.538 9.805 1.00 16.66 H new ATOM 0 HE1 PHE A 63 -7.527 -15.448 5.146 1.00 16.66 H new ATOM 0 HE2 PHE A 63 -4.869 -13.504 7.906 1.00 16.66 H new ATOM 0 HZ PHE A 63 -5.587 -13.963 5.576 1.00 16.66 H new ATOM 945 N GLN A 64 -6.188 -18.281 10.727 1.00 16.66 N ATOM 946 CA GLN A 64 -4.785 -18.748 10.861 1.00 16.66 C ATOM 947 C GLN A 64 -4.670 -20.160 10.282 1.00 16.66 C ATOM 948 O GLN A 64 -3.772 -20.459 9.521 1.00 16.66 O ATOM 949 CB GLN A 64 -4.410 -18.766 12.341 1.00 16.66 C ATOM 950 CG GLN A 64 -2.913 -19.051 12.488 1.00 16.66 C ATOM 951 CD GLN A 64 -2.112 -17.855 11.971 1.00 50.00 C ATOM 952 OE1 GLN A 64 -2.357 -16.730 12.359 1.00 50.00 O ATOM 953 NE2 GLN A 64 -1.157 -18.051 11.103 1.00 50.00 N ATOM 0 H GLN A 64 -6.648 -18.039 11.604 1.00 16.66 H new ATOM 0 HA GLN A 64 -4.113 -18.080 10.322 1.00 16.66 H new ATOM 0 HB2 GLN A 64 -4.655 -17.808 12.800 1.00 16.66 H new ATOM 0 HB3 GLN A 64 -4.989 -19.528 12.864 1.00 16.66 H new ATOM 0 HG2 GLN A 64 -2.669 -19.241 13.533 1.00 16.66 H new ATOM 0 HG3 GLN A 64 -2.647 -19.949 11.930 1.00 16.66 H new ATOM 0 HE21 GLN A 64 -0.950 -18.995 10.777 1.00 50.00 H new ATOM 0 HE22 GLN A 64 -0.617 -17.260 10.751 1.00 50.00 H new ATOM 962 N GLU A 65 -5.580 -21.029 10.634 1.00 16.66 N ATOM 963 CA GLU A 65 -5.533 -22.418 10.101 1.00 16.66 C ATOM 964 C GLU A 65 -5.725 -22.378 8.587 1.00 16.66 C ATOM 965 O GLU A 65 -4.998 -23.000 7.837 1.00 16.66 O ATOM 966 CB GLU A 65 -6.657 -23.241 10.730 1.00 16.66 C ATOM 967 CG GLU A 65 -6.212 -23.772 12.096 1.00 16.66 C ATOM 968 CD GLU A 65 -7.372 -24.526 12.756 1.00 16.66 C ATOM 969 OE1 GLU A 65 -8.502 -24.236 12.435 1.00 16.66 O ATOM 970 OE2 GLU A 65 -7.110 -25.382 13.572 1.00 16.66 O ATOM 0 H GLU A 65 -6.354 -20.835 11.269 1.00 16.66 H new ATOM 0 HA GLU A 65 -4.571 -22.872 10.340 1.00 16.66 H new ATOM 0 HB2 GLU A 65 -7.550 -22.627 10.842 1.00 16.66 H new ATOM 0 HB3 GLU A 65 -6.921 -24.072 10.076 1.00 16.66 H new ATOM 0 HG2 GLU A 65 -5.354 -24.434 11.978 1.00 16.66 H new ATOM 0 HG3 GLU A 65 -5.892 -22.947 12.732 1.00 16.66 H new ATOM 977 N PHE A 66 -6.700 -21.642 8.133 1.00 16.66 N ATOM 978 CA PHE A 66 -6.948 -21.548 6.669 1.00 16.66 C ATOM 979 C PHE A 66 -5.764 -20.847 6.003 1.00 16.66 C ATOM 980 O PHE A 66 -5.452 -21.088 4.853 1.00 16.66 O ATOM 981 CB PHE A 66 -8.226 -20.744 6.422 1.00 16.66 C ATOM 982 CG PHE A 66 -8.485 -20.648 4.938 1.00 16.66 C ATOM 983 CD1 PHE A 66 -7.773 -19.724 4.161 1.00 16.66 C ATOM 984 CD2 PHE A 66 -9.436 -21.481 4.337 1.00 16.66 C ATOM 985 CE1 PHE A 66 -8.014 -19.634 2.785 1.00 16.66 C ATOM 986 CE2 PHE A 66 -9.676 -21.392 2.961 1.00 16.66 C ATOM 987 CZ PHE A 66 -8.965 -20.468 2.185 1.00 16.66 C ATOM 0 H PHE A 66 -7.338 -21.100 8.716 1.00 16.66 H new ATOM 0 HA PHE A 66 -7.063 -22.547 6.249 1.00 16.66 H new ATOM 0 HB2 PHE A 66 -9.070 -21.222 6.919 1.00 16.66 H new ATOM 0 HB3 PHE A 66 -8.128 -19.746 6.850 1.00 16.66 H new ATOM 0 HD1 PHE A 66 -7.039 -19.082 4.624 1.00 16.66 H new ATOM 0 HD2 PHE A 66 -9.985 -22.193 4.936 1.00 16.66 H new ATOM 0 HE1 PHE A 66 -7.466 -18.921 2.186 1.00 16.66 H new ATOM 0 HE2 PHE A 66 -10.409 -22.036 2.498 1.00 16.66 H new ATOM 0 HZ PHE A 66 -9.150 -20.399 1.123 1.00 16.66 H new ATOM 997 N THR A 67 -5.101 -19.981 6.721 1.00 16.66 N ATOM 998 CA THR A 67 -3.933 -19.266 6.135 1.00 16.66 C ATOM 999 C THR A 67 -2.781 -20.253 5.940 1.00 16.66 C ATOM 1000 O THR A 67 -2.193 -20.335 4.880 1.00 16.66 O ATOM 1001 CB THR A 67 -3.494 -18.148 7.083 1.00 50.00 C ATOM 1002 OG1 THR A 67 -4.536 -17.189 7.198 1.00 50.00 O ATOM 1003 CG2 THR A 67 -2.236 -17.473 6.534 1.00 50.00 C ATOM 0 H THR A 67 -5.318 -19.738 7.688 1.00 16.66 H new ATOM 0 HA THR A 67 -4.211 -18.837 5.172 1.00 16.66 H new ATOM 0 HB THR A 67 -3.278 -18.570 8.065 1.00 50.00 H new ATOM 0 HG1 THR A 67 -5.100 -17.409 7.969 1.00 50.00 H new ATOM 0 HG21 THR A 67 -1.925 -16.677 7.211 1.00 50.00 H new ATOM 0 HG22 THR A 67 -1.436 -18.209 6.448 1.00 50.00 H new ATOM 0 HG23 THR A 67 -2.449 -17.051 5.552 1.00 50.00 H new ATOM 1011 N ASP A 68 -2.454 -21.004 6.955 1.00 25.00 N ATOM 1012 CA ASP A 68 -1.341 -21.987 6.828 1.00 25.00 C ATOM 1013 C ASP A 68 -1.709 -23.038 5.779 1.00 25.00 C ATOM 1014 O ASP A 68 -0.870 -23.510 5.038 1.00 25.00 O ATOM 1015 CB ASP A 68 -1.103 -22.668 8.176 1.00 25.00 C ATOM 1016 CG ASP A 68 -0.753 -21.612 9.226 1.00 25.00 C ATOM 1017 OD1 ASP A 68 -0.463 -20.492 8.836 1.00 50.00 O ATOM 1018 OD2 ASP A 68 -0.780 -21.940 10.400 1.00 50.00 O ATOM 0 H ASP A 68 -2.909 -20.980 7.867 1.00 25.00 H new ATOM 0 HA ASP A 68 -0.432 -21.470 6.521 1.00 25.00 H new ATOM 0 HB2 ASP A 68 -1.994 -23.217 8.480 1.00 25.00 H new ATOM 0 HB3 ASP A 68 -0.294 -23.394 8.091 1.00 25.00 H new ATOM 1023 N PHE A 69 -2.959 -23.403 5.709 1.00 25.00 N ATOM 1024 CA PHE A 69 -3.386 -24.416 4.711 1.00 25.00 C ATOM 1025 C PHE A 69 -3.436 -23.746 3.333 1.00 25.00 C ATOM 1026 O PHE A 69 -3.026 -24.313 2.339 1.00 25.00 O ATOM 1027 CB PHE A 69 -4.768 -24.958 5.128 1.00 25.00 C ATOM 1028 CG PHE A 69 -5.616 -25.259 3.916 1.00 25.00 C ATOM 1029 CD1 PHE A 69 -6.185 -24.207 3.195 1.00 25.00 C ATOM 1030 CD2 PHE A 69 -5.824 -26.582 3.514 1.00 25.00 C ATOM 1031 CE1 PHE A 69 -6.968 -24.476 2.067 1.00 50.00 C ATOM 1032 CE2 PHE A 69 -6.606 -26.853 2.387 1.00 50.00 C ATOM 1033 CZ PHE A 69 -7.179 -25.800 1.662 1.00 50.00 C ATOM 0 H PHE A 69 -3.704 -23.040 6.304 1.00 25.00 H new ATOM 0 HA PHE A 69 -2.688 -25.252 4.663 1.00 25.00 H new ATOM 0 HB2 PHE A 69 -4.644 -25.862 5.724 1.00 25.00 H new ATOM 0 HB3 PHE A 69 -5.274 -24.228 5.759 1.00 25.00 H new ATOM 0 HD1 PHE A 69 -6.021 -23.186 3.508 1.00 25.00 H new ATOM 0 HD2 PHE A 69 -5.381 -27.393 4.073 1.00 25.00 H new ATOM 0 HE1 PHE A 69 -7.409 -23.663 1.509 1.00 50.00 H new ATOM 0 HE2 PHE A 69 -6.768 -27.874 2.075 1.00 50.00 H new ATOM 0 HZ PHE A 69 -7.783 -26.009 0.791 1.00 50.00 H new ATOM 1043 N GLY A 70 -3.930 -22.541 3.273 1.00 16.66 N ATOM 1044 CA GLY A 70 -4.000 -21.829 1.967 1.00 16.66 C ATOM 1045 C GLY A 70 -2.584 -21.673 1.408 1.00 16.66 C ATOM 1046 O GLY A 70 -2.376 -21.650 0.212 1.00 16.66 O ATOM 0 H GLY A 70 -4.288 -22.018 4.072 1.00 16.66 H new ATOM 0 HA2 GLY A 70 -4.622 -22.387 1.267 1.00 16.66 H new ATOM 0 HA3 GLY A 70 -4.464 -20.851 2.096 1.00 16.66 H new ATOM 1050 N ARG A 71 -1.610 -21.576 2.270 1.00 25.00 N ATOM 1051 CA ARG A 71 -0.207 -21.433 1.796 1.00 25.00 C ATOM 1052 C ARG A 71 0.212 -22.726 1.099 1.00 25.00 C ATOM 1053 O ARG A 71 0.917 -22.714 0.109 1.00 25.00 O ATOM 1054 CB ARG A 71 0.713 -21.175 2.990 1.00 50.00 C ATOM 1055 CG ARG A 71 0.470 -19.761 3.516 1.00 50.00 C ATOM 1056 CD ARG A 71 1.288 -19.544 4.789 1.00 50.00 C ATOM 1057 NE ARG A 71 2.711 -19.332 4.418 1.00 50.00 N ATOM 1058 CZ ARG A 71 3.583 -19.000 5.329 1.00 50.00 C ATOM 1059 NH1 ARG A 71 3.444 -19.435 6.553 1.00 50.00 N ATOM 1060 NH2 ARG A 71 4.592 -18.235 5.019 1.00 50.00 N ATOM 0 H ARG A 71 -1.726 -21.590 3.283 1.00 25.00 H new ATOM 0 HA ARG A 71 -0.134 -20.597 1.101 1.00 25.00 H new ATOM 0 HB2 ARG A 71 0.522 -21.906 3.776 1.00 50.00 H new ATOM 0 HB3 ARG A 71 1.755 -21.291 2.693 1.00 50.00 H new ATOM 0 HG2 ARG A 71 0.751 -19.027 2.761 1.00 50.00 H new ATOM 0 HG3 ARG A 71 -0.590 -19.615 3.723 1.00 50.00 H new ATOM 0 HD2 ARG A 71 0.909 -18.682 5.338 1.00 50.00 H new ATOM 0 HD3 ARG A 71 1.195 -20.407 5.448 1.00 50.00 H new ATOM 0 HE ARG A 71 3.007 -19.446 3.448 1.00 50.00 H new ATOM 0 HH11 ARG A 71 2.654 -20.033 6.795 1.00 50.00 H new ATOM 0 HH12 ARG A 71 4.125 -19.176 7.267 1.00 50.00 H new ATOM 0 HH21 ARG A 71 4.700 -17.896 4.063 1.00 50.00 H new ATOM 0 HH22 ARG A 71 5.274 -17.976 5.732 1.00 50.00 H new ATOM 1074 N ALA A 72 -0.228 -23.839 1.610 1.00 25.00 N ATOM 1075 CA ALA A 72 0.128 -25.142 0.985 1.00 25.00 C ATOM 1076 C ALA A 72 -0.523 -25.230 -0.396 1.00 25.00 C ATOM 1077 O ALA A 72 -0.124 -26.015 -1.234 1.00 25.00 O ATOM 1078 CB ALA A 72 -0.383 -26.284 1.867 1.00 50.00 C ATOM 0 H ALA A 72 -0.821 -23.904 2.437 1.00 25.00 H new ATOM 0 HA ALA A 72 1.211 -25.220 0.884 1.00 25.00 H new ATOM 0 HB1 ALA A 72 -0.124 -27.240 1.411 1.00 50.00 H new ATOM 0 HB2 ALA A 72 0.076 -26.216 2.853 1.00 50.00 H new ATOM 0 HB3 ALA A 72 -1.466 -26.211 1.965 1.00 50.00 H new ATOM 1084 N ASN A 73 -1.524 -24.428 -0.638 1.00 25.00 N ATOM 1085 CA ASN A 73 -2.204 -24.458 -1.963 1.00 25.00 C ATOM 1086 C ASN A 73 -2.664 -23.045 -2.328 1.00 25.00 C ATOM 1087 O ASN A 73 -3.816 -22.815 -2.634 1.00 25.00 O ATOM 1088 CB ASN A 73 -3.419 -25.387 -1.893 1.00 25.00 C ATOM 1089 CG ASN A 73 -3.026 -26.688 -1.190 1.00 25.00 C ATOM 1090 OD1 ASN A 73 -2.289 -27.487 -1.733 1.00 50.00 O ATOM 1091 ND2 ASN A 73 -3.493 -26.936 0.002 1.00 50.00 N ATOM 0 H ASN A 73 -1.901 -23.752 0.027 1.00 25.00 H new ATOM 0 HA ASN A 73 -1.511 -24.824 -2.720 1.00 25.00 H new ATOM 0 HB2 ASN A 73 -4.232 -24.901 -1.353 1.00 25.00 H new ATOM 0 HB3 ASN A 73 -3.786 -25.600 -2.897 1.00 25.00 H new ATOM 0 HD21 ASN A 73 -3.240 -27.801 0.479 1.00 50.00 H new ATOM 0 HD22 ASN A 73 -4.112 -26.265 0.457 1.00 50.00 H new ATOM 1098 N ARG A 74 -1.768 -22.095 -2.297 1.00 25.00 N ATOM 1099 CA ARG A 74 -2.154 -20.698 -2.642 1.00 25.00 C ATOM 1100 C ARG A 74 -2.921 -20.713 -3.959 1.00 25.00 C ATOM 1101 O ARG A 74 -3.854 -19.962 -4.160 1.00 25.00 O ATOM 1102 CB ARG A 74 -0.897 -19.839 -2.790 1.00 25.00 C ATOM 1103 CG ARG A 74 -0.133 -20.266 -4.046 1.00 25.00 C ATOM 1104 CD ARG A 74 1.202 -19.522 -4.108 1.00 25.00 C ATOM 1105 NE ARG A 74 0.954 -18.054 -4.066 1.00 25.00 N ATOM 1106 CZ ARG A 74 1.907 -17.241 -3.697 1.00 50.00 C ATOM 1107 NH1 ARG A 74 2.658 -17.539 -2.674 1.00 50.00 N ATOM 1108 NH2 ARG A 74 2.106 -16.130 -4.351 1.00 50.00 N ATOM 0 H ARG A 74 -0.788 -22.226 -2.048 1.00 25.00 H new ATOM 0 HA ARG A 74 -2.779 -20.280 -1.853 1.00 25.00 H new ATOM 0 HB2 ARG A 74 -1.169 -18.786 -2.857 1.00 25.00 H new ATOM 0 HB3 ARG A 74 -0.263 -19.949 -1.910 1.00 25.00 H new ATOM 0 HG2 ARG A 74 0.039 -21.342 -4.032 1.00 25.00 H new ATOM 0 HG3 ARG A 74 -0.724 -20.049 -4.936 1.00 25.00 H new ATOM 0 HD2 ARG A 74 1.835 -19.819 -3.272 1.00 25.00 H new ATOM 0 HD3 ARG A 74 1.736 -19.786 -5.021 1.00 25.00 H new ATOM 0 HE ARG A 74 0.040 -17.684 -4.325 1.00 25.00 H new ATOM 0 HH11 ARG A 74 2.501 -18.407 -2.162 1.00 50.00 H new ATOM 0 HH12 ARG A 74 3.402 -16.904 -2.386 1.00 50.00 H new ATOM 0 HH21 ARG A 74 1.517 -15.896 -5.150 1.00 50.00 H new ATOM 0 HH22 ARG A 74 2.850 -15.495 -4.063 1.00 50.00 H new ATOM 1122 N GLY A 75 -2.533 -21.572 -4.855 1.00 25.00 N ATOM 1123 CA GLY A 75 -3.229 -21.657 -6.165 1.00 25.00 C ATOM 1124 C GLY A 75 -4.692 -22.044 -5.939 1.00 25.00 C ATOM 1125 O GLY A 75 -5.538 -21.836 -6.785 1.00 25.00 O ATOM 0 H GLY A 75 -1.758 -22.224 -4.735 1.00 25.00 H new ATOM 0 HA2 GLY A 75 -3.170 -20.700 -6.683 1.00 25.00 H new ATOM 0 HA3 GLY A 75 -2.740 -22.395 -6.802 1.00 25.00 H new ATOM 1129 N LEU A 76 -4.993 -22.604 -4.801 1.00 25.00 N ATOM 1130 CA LEU A 76 -6.399 -23.002 -4.517 1.00 25.00 C ATOM 1131 C LEU A 76 -7.203 -21.766 -4.122 1.00 25.00 C ATOM 1132 O LEU A 76 -8.317 -21.565 -4.565 1.00 25.00 O ATOM 1133 CB LEU A 76 -6.425 -24.009 -3.365 1.00 25.00 C ATOM 1134 CG LEU A 76 -6.036 -25.394 -3.882 1.00 25.00 C ATOM 1135 CD1 LEU A 76 -6.084 -26.399 -2.729 1.00 50.00 C ATOM 1136 CD2 LEU A 76 -7.018 -25.825 -4.974 1.00 50.00 C ATOM 0 H LEU A 76 -4.326 -22.803 -4.055 1.00 25.00 H new ATOM 0 HA LEU A 76 -6.834 -23.456 -5.407 1.00 25.00 H new ATOM 0 HB2 LEU A 76 -5.736 -23.696 -2.580 1.00 25.00 H new ATOM 0 HB3 LEU A 76 -7.420 -24.042 -2.921 1.00 25.00 H new ATOM 0 HG LEU A 76 -5.027 -25.359 -4.293 1.00 25.00 H new ATOM 0 HD11 LEU A 76 -5.807 -27.387 -3.096 1.00 50.00 H new ATOM 0 HD12 LEU A 76 -5.386 -26.092 -1.950 1.00 50.00 H new ATOM 0 HD13 LEU A 76 -7.093 -26.434 -2.319 1.00 50.00 H new ATOM 0 HD21 LEU A 76 -6.741 -26.813 -5.343 1.00 50.00 H new ATOM 0 HD22 LEU A 76 -8.027 -25.861 -4.563 1.00 50.00 H new ATOM 0 HD23 LEU A 76 -6.986 -25.109 -5.795 1.00 50.00 H new ATOM 1148 N LEU A 77 -6.650 -20.946 -3.276 1.00 25.00 N ATOM 1149 CA LEU A 77 -7.381 -19.727 -2.830 1.00 25.00 C ATOM 1150 C LEU A 77 -7.460 -18.713 -3.972 1.00 25.00 C ATOM 1151 O LEU A 77 -8.342 -17.879 -4.009 1.00 25.00 O ATOM 1152 CB LEU A 77 -6.651 -19.102 -1.639 1.00 25.00 C ATOM 1153 CG LEU A 77 -6.119 -20.205 -0.718 1.00 25.00 C ATOM 1154 CD1 LEU A 77 -5.760 -19.602 0.641 1.00 50.00 C ATOM 1155 CD2 LEU A 77 -7.190 -21.282 -0.526 1.00 50.00 C ATOM 0 H LEU A 77 -5.721 -21.066 -2.872 1.00 25.00 H new ATOM 0 HA LEU A 77 -8.392 -20.006 -2.534 1.00 25.00 H new ATOM 0 HB2 LEU A 77 -5.827 -18.481 -1.991 1.00 25.00 H new ATOM 0 HB3 LEU A 77 -7.328 -18.450 -1.087 1.00 25.00 H new ATOM 0 HG LEU A 77 -5.233 -20.653 -1.168 1.00 25.00 H new ATOM 0 HD11 LEU A 77 -5.381 -20.385 1.298 1.00 50.00 H new ATOM 0 HD12 LEU A 77 -4.994 -18.837 0.509 1.00 50.00 H new ATOM 0 HD13 LEU A 77 -6.648 -19.153 1.086 1.00 50.00 H new ATOM 0 HD21 LEU A 77 -6.806 -22.064 0.130 1.00 50.00 H new ATOM 0 HD22 LEU A 77 -8.078 -20.836 -0.078 1.00 50.00 H new ATOM 0 HD23 LEU A 77 -7.449 -21.714 -1.493 1.00 50.00 H new ATOM 1167 N LYS A 78 -6.555 -18.775 -4.910 1.00 25.00 N ATOM 1168 CA LYS A 78 -6.601 -17.810 -6.043 1.00 25.00 C ATOM 1169 C LYS A 78 -7.643 -18.283 -7.058 1.00 25.00 C ATOM 1170 O LYS A 78 -8.244 -17.496 -7.761 1.00 25.00 O ATOM 1171 CB LYS A 78 -5.228 -17.742 -6.713 1.00 25.00 C ATOM 1172 CG LYS A 78 -4.967 -19.039 -7.479 1.00 25.00 C ATOM 1173 CD LYS A 78 -3.686 -18.894 -8.304 1.00 50.00 C ATOM 1174 CE LYS A 78 -2.515 -18.567 -7.375 1.00 50.00 C ATOM 1175 NZ LYS A 78 -1.320 -19.355 -7.787 1.00 50.00 N ATOM 0 H LYS A 78 -5.790 -19.449 -4.941 1.00 25.00 H new ATOM 0 HA LYS A 78 -6.869 -16.820 -5.674 1.00 25.00 H new ATOM 0 HB2 LYS A 78 -5.186 -16.891 -7.393 1.00 25.00 H new ATOM 0 HB3 LYS A 78 -4.453 -17.589 -5.962 1.00 25.00 H new ATOM 0 HG2 LYS A 78 -4.872 -19.872 -6.783 1.00 25.00 H new ATOM 0 HG3 LYS A 78 -5.810 -19.264 -8.132 1.00 25.00 H new ATOM 0 HD2 LYS A 78 -3.485 -19.817 -8.849 1.00 50.00 H new ATOM 0 HD3 LYS A 78 -3.806 -18.105 -9.046 1.00 50.00 H new ATOM 0 HE2 LYS A 78 -2.292 -17.501 -7.415 1.00 50.00 H new ATOM 0 HE3 LYS A 78 -2.779 -18.799 -6.343 1.00 50.00 H new ATOM 0 HZ1 LYS A 78 -0.656 -19.421 -6.990 1.00 50.00 H new ATOM 0 HZ2 LYS A 78 -1.616 -20.311 -8.071 1.00 50.00 H new ATOM 0 HZ3 LYS A 78 -0.853 -18.884 -8.588 1.00 50.00 H new ATOM 1189 N ASP A 79 -7.860 -19.567 -7.133 1.00 25.00 N ATOM 1190 CA ASP A 79 -8.862 -20.103 -8.092 1.00 25.00 C ATOM 1191 C ASP A 79 -10.238 -20.109 -7.432 1.00 25.00 C ATOM 1192 O ASP A 79 -11.226 -19.716 -8.019 1.00 25.00 O ATOM 1193 CB ASP A 79 -8.477 -21.530 -8.470 1.00 25.00 C ATOM 1194 CG ASP A 79 -7.426 -21.500 -9.583 1.00 25.00 C ATOM 1195 OD1 ASP A 79 -7.336 -20.489 -10.258 1.00 50.00 O ATOM 1196 OD2 ASP A 79 -6.730 -22.490 -9.740 1.00 50.00 O ATOM 0 H ASP A 79 -7.383 -20.270 -6.568 1.00 25.00 H new ATOM 0 HA ASP A 79 -8.888 -19.480 -8.986 1.00 25.00 H new ATOM 0 HB2 ASP A 79 -8.084 -22.054 -7.599 1.00 25.00 H new ATOM 0 HB3 ASP A 79 -9.358 -22.079 -8.802 1.00 25.00 H new ATOM 1201 N VAL A 80 -10.305 -20.552 -6.209 1.00 25.00 N ATOM 1202 CA VAL A 80 -11.611 -20.585 -5.498 1.00 25.00 C ATOM 1203 C VAL A 80 -12.180 -19.173 -5.443 1.00 25.00 C ATOM 1204 O VAL A 80 -13.346 -18.941 -5.694 1.00 25.00 O ATOM 1205 CB VAL A 80 -11.399 -21.107 -4.074 1.00 50.00 C ATOM 1206 CG1 VAL A 80 -10.770 -20.014 -3.204 1.00 50.00 C ATOM 1207 CG2 VAL A 80 -12.747 -21.519 -3.479 1.00 50.00 C ATOM 0 H VAL A 80 -9.509 -20.894 -5.670 1.00 25.00 H new ATOM 0 HA VAL A 80 -12.304 -21.241 -6.024 1.00 25.00 H new ATOM 0 HB VAL A 80 -10.731 -21.968 -4.103 1.00 50.00 H new ATOM 0 HG11 VAL A 80 -10.623 -20.394 -2.193 1.00 50.00 H new ATOM 0 HG12 VAL A 80 -9.808 -19.722 -3.626 1.00 50.00 H new ATOM 0 HG13 VAL A 80 -11.431 -19.148 -3.174 1.00 50.00 H new ATOM 0 HG21 VAL A 80 -12.599 -21.891 -2.465 1.00 50.00 H new ATOM 0 HG22 VAL A 80 -13.413 -20.657 -3.455 1.00 50.00 H new ATOM 0 HG23 VAL A 80 -13.191 -22.303 -4.092 1.00 50.00 H new ATOM 1217 N ALA A 81 -11.350 -18.229 -5.117 1.00 25.00 N ATOM 1218 CA ALA A 81 -11.816 -16.817 -5.039 1.00 25.00 C ATOM 1219 C ALA A 81 -12.562 -16.457 -6.323 1.00 25.00 C ATOM 1220 O ALA A 81 -13.581 -15.795 -6.297 1.00 25.00 O ATOM 1221 CB ALA A 81 -10.610 -15.890 -4.871 1.00 50.00 C ATOM 0 H ALA A 81 -10.364 -18.372 -4.900 1.00 25.00 H new ATOM 0 HA ALA A 81 -12.484 -16.700 -4.186 1.00 25.00 H new ATOM 0 HB1 ALA A 81 -10.951 -14.856 -4.814 1.00 50.00 H new ATOM 0 HB2 ALA A 81 -10.078 -16.148 -3.955 1.00 50.00 H new ATOM 0 HB3 ALA A 81 -9.941 -16.005 -5.724 1.00 50.00 H new ATOM 1227 N LYS A 82 -12.062 -16.887 -7.446 1.00 25.00 N ATOM 1228 CA LYS A 82 -12.738 -16.570 -8.735 1.00 25.00 C ATOM 1229 C LYS A 82 -14.161 -17.129 -8.716 1.00 25.00 C ATOM 1230 O LYS A 82 -15.066 -16.571 -9.303 1.00 25.00 O ATOM 1231 CB LYS A 82 -11.957 -17.201 -9.890 1.00 25.00 C ATOM 1232 CG LYS A 82 -10.606 -16.497 -10.039 1.00 25.00 C ATOM 1233 CD LYS A 82 -9.912 -16.987 -11.312 1.00 25.00 C ATOM 1234 CE LYS A 82 -8.480 -16.451 -11.351 1.00 50.00 C ATOM 1235 NZ LYS A 82 -7.524 -17.592 -11.424 1.00 50.00 N ATOM 0 H LYS A 82 -11.213 -17.446 -7.528 1.00 25.00 H new ATOM 0 HA LYS A 82 -12.774 -15.489 -8.869 1.00 25.00 H new ATOM 0 HB2 LYS A 82 -11.806 -18.264 -9.703 1.00 25.00 H new ATOM 0 HB3 LYS A 82 -12.526 -17.118 -10.816 1.00 25.00 H new ATOM 0 HG2 LYS A 82 -10.750 -15.417 -10.083 1.00 25.00 H new ATOM 0 HG3 LYS A 82 -9.980 -16.700 -9.170 1.00 25.00 H new ATOM 0 HD2 LYS A 82 -9.905 -18.077 -11.338 1.00 25.00 H new ATOM 0 HD3 LYS A 82 -10.462 -16.651 -12.191 1.00 25.00 H new ATOM 0 HE2 LYS A 82 -8.349 -15.797 -12.213 1.00 50.00 H new ATOM 0 HE3 LYS A 82 -8.280 -15.852 -10.463 1.00 50.00 H new ATOM 0 HZ1 LYS A 82 -6.586 -17.281 -11.099 1.00 50.00 H new ATOM 0 HZ2 LYS A 82 -7.861 -18.367 -10.818 1.00 50.00 H new ATOM 0 HZ3 LYS A 82 -7.456 -17.926 -12.407 1.00 50.00 H new ATOM 1249 N ILE A 83 -14.366 -18.228 -8.044 1.00 25.00 N ATOM 1250 CA ILE A 83 -15.730 -18.823 -7.987 1.00 25.00 C ATOM 1251 C ILE A 83 -16.706 -17.794 -7.417 1.00 25.00 C ATOM 1252 O ILE A 83 -17.867 -17.755 -7.778 1.00 25.00 O ATOM 1253 CB ILE A 83 -15.710 -20.059 -7.087 1.00 50.00 C ATOM 1254 CG1 ILE A 83 -14.921 -21.176 -7.771 1.00 50.00 C ATOM 1255 CG2 ILE A 83 -17.144 -20.529 -6.835 1.00 50.00 C ATOM 1256 CD1 ILE A 83 -15.019 -22.455 -6.937 1.00 50.00 C ATOM 0 H ILE A 83 -13.647 -18.740 -7.532 1.00 25.00 H new ATOM 0 HA ILE A 83 -16.046 -19.110 -8.990 1.00 25.00 H new ATOM 0 HB ILE A 83 -15.237 -19.809 -6.138 1.00 50.00 H new ATOM 0 HG12 ILE A 83 -15.313 -21.352 -8.773 1.00 50.00 H new ATOM 0 HG13 ILE A 83 -13.878 -20.882 -7.884 1.00 50.00 H new ATOM 0 HG21 ILE A 83 -17.131 -21.410 -6.193 1.00 50.00 H new ATOM 0 HG22 ILE A 83 -17.707 -19.733 -6.347 1.00 50.00 H new ATOM 0 HG23 ILE A 83 -17.617 -20.779 -7.785 1.00 50.00 H new ATOM 0 HD11 ILE A 83 -14.457 -23.251 -7.425 1.00 50.00 H new ATOM 0 HD12 ILE A 83 -14.606 -22.275 -5.944 1.00 50.00 H new ATOM 0 HD13 ILE A 83 -16.064 -22.752 -6.847 1.00 50.00 H new ATOM 1268 N PHE A 84 -16.243 -16.960 -6.530 1.00 25.00 N ATOM 1269 CA PHE A 84 -17.139 -15.931 -5.933 1.00 25.00 C ATOM 1270 C PHE A 84 -16.842 -14.569 -6.562 1.00 25.00 C ATOM 1271 O PHE A 84 -15.978 -14.512 -7.421 1.00 25.00 O ATOM 1272 CB PHE A 84 -16.896 -15.860 -4.424 1.00 50.00 C ATOM 1273 CG PHE A 84 -17.290 -17.172 -3.789 1.00 50.00 C ATOM 1274 CD1 PHE A 84 -16.578 -18.339 -4.093 1.00 50.00 C ATOM 1275 CD2 PHE A 84 -18.367 -17.223 -2.895 1.00 50.00 C ATOM 1276 CE1 PHE A 84 -16.944 -19.556 -3.506 1.00 50.00 C ATOM 1277 CE2 PHE A 84 -18.733 -18.439 -2.307 1.00 50.00 C ATOM 1278 CZ PHE A 84 -18.020 -19.606 -2.612 1.00 50.00 C ATOM 1279 OXT PHE A 84 -17.482 -13.606 -6.174 1.00 99.99 O ATOM 0 H PHE A 84 -15.281 -16.946 -6.192 1.00 25.00 H new ATOM 0 HA PHE A 84 -18.178 -16.199 -6.123 1.00 25.00 H new ATOM 0 HB2 PHE A 84 -15.846 -15.647 -4.223 1.00 50.00 H new ATOM 0 HB3 PHE A 84 -17.475 -15.045 -3.989 1.00 50.00 H new ATOM 0 HD1 PHE A 84 -15.746 -18.300 -4.781 1.00 50.00 H new ATOM 0 HD2 PHE A 84 -18.916 -16.323 -2.659 1.00 50.00 H new ATOM 0 HE1 PHE A 84 -16.396 -20.456 -3.743 1.00 50.00 H new ATOM 0 HE2 PHE A 84 -19.564 -18.478 -1.619 1.00 50.00 H new ATOM 0 HZ PHE A 84 -18.301 -20.544 -2.157 1.00 50.00 H new