USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 GLN : amide:sc= 0.597 K(o=0.08,f=-2.6) USER MOD Set 1.2: A 23 GLN : amide:sc= -0.516 K(o=0.08,f=-2.3) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc=-0.000359 X(o=-0.00036,f=-0.084) USER MOD Single : A 24 SER OG : rot -28:sc= 0.0385 USER MOD Single : A 25 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0118) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 1.16 K(o=1.2,f=-0.7) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 95:sc= 0.307 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0264 X(o=-0.026,f=-0.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot -87:sc= 0.804 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.0237 K(o=0.024,f=-6.7!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -152:sc= 1.25 (180deg=0.99) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.163 2.106 -9.842 1.00 0.00 N ATOM 152 CA GLU A 13 -7.925 2.841 -9.601 1.00 0.00 C ATOM 153 C GLU A 13 -7.204 2.325 -8.357 1.00 0.00 C ATOM 154 O GLU A 13 -6.012 2.009 -8.425 1.00 0.00 O ATOM 155 CB GLU A 13 -8.208 4.341 -9.471 1.00 0.00 C ATOM 156 CG GLU A 13 -8.436 5.025 -10.825 1.00 0.00 C ATOM 157 CD GLU A 13 -9.028 6.422 -10.644 1.00 0.00 C ATOM 158 OE1 GLU A 13 -10.058 6.542 -9.938 1.00 0.00 O ATOM 159 OE2 GLU A 13 -8.507 7.398 -11.234 1.00 0.00 O ATOM 0 HA GLU A 13 -7.271 2.680 -10.458 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.087 4.487 -8.843 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.371 4.821 -8.964 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.491 5.094 -11.364 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.107 4.419 -11.434 1.00 0.00 H new ATOM 166 N VAL A 14 -7.949 2.229 -7.250 1.00 0.00 N ATOM 167 CA VAL A 14 -7.518 1.709 -5.960 1.00 0.00 C ATOM 168 C VAL A 14 -6.895 0.332 -6.159 1.00 0.00 C ATOM 169 O VAL A 14 -5.699 0.178 -5.929 1.00 0.00 O ATOM 170 CB VAL A 14 -8.722 1.754 -4.988 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.546 0.985 -3.681 1.00 0.00 C ATOM 172 CG2 VAL A 14 -8.966 3.200 -4.556 1.00 0.00 C ATOM 0 H VAL A 14 -8.923 2.531 -7.236 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.737 2.317 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.534 1.297 -5.553 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.448 1.084 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.369 -0.068 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.695 1.390 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.813 3.237 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.078 3.585 -4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.181 3.810 -5.433 1.00 0.00 H new ATOM 182 N GLY A 15 -7.667 -0.656 -6.615 1.00 0.00 N ATOM 183 CA GLY A 15 -7.193 -2.017 -6.814 1.00 0.00 C ATOM 184 C GLY A 15 -5.918 -2.088 -7.648 1.00 0.00 C ATOM 185 O GLY A 15 -5.002 -2.845 -7.318 1.00 0.00 O ATOM 0 H GLY A 15 -8.649 -0.527 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.012 -2.478 -5.843 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.973 -2.600 -7.303 1.00 0.00 H new ATOM 189 N LYS A 16 -5.835 -1.282 -8.709 1.00 0.00 N ATOM 190 CA LYS A 16 -4.683 -1.276 -9.595 1.00 0.00 C ATOM 191 C LYS A 16 -3.444 -0.797 -8.848 1.00 0.00 C ATOM 192 O LYS A 16 -2.411 -1.466 -8.895 1.00 0.00 O ATOM 193 CB LYS A 16 -4.990 -0.407 -10.827 1.00 0.00 C ATOM 194 CG LYS A 16 -3.977 -0.590 -11.966 1.00 0.00 C ATOM 195 CD LYS A 16 -4.190 -1.949 -12.661 1.00 0.00 C ATOM 196 CE LYS A 16 -3.131 -2.251 -13.723 1.00 0.00 C ATOM 197 NZ LYS A 16 -3.309 -3.601 -14.300 1.00 0.00 N ATOM 0 H LYS A 16 -6.565 -0.620 -8.972 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.476 -2.289 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.987 -0.649 -11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.006 0.641 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.085 0.217 -12.691 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.962 -0.531 -11.572 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.180 -2.740 -11.911 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.176 -1.963 -13.125 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.187 -1.505 -14.516 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.138 -2.172 -13.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.574 -3.772 -15.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.231 -4.314 -13.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.247 -3.668 -14.744 1.00 0.00 H new ATOM 211 N VAL A 17 -3.530 0.346 -8.166 1.00 0.00 N ATOM 212 CA VAL A 17 -2.406 0.934 -7.441 1.00 0.00 C ATOM 213 C VAL A 17 -2.019 0.046 -6.261 1.00 0.00 C ATOM 214 O VAL A 17 -0.832 -0.066 -5.964 1.00 0.00 O ATOM 215 CB VAL A 17 -2.763 2.378 -7.025 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.767 3.000 -6.035 1.00 0.00 C ATOM 217 CG2 VAL A 17 -2.827 3.241 -8.299 1.00 0.00 C ATOM 0 H VAL A 17 -4.389 0.893 -8.102 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.527 0.992 -8.083 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.722 2.343 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.083 4.014 -5.789 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.735 2.400 -5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.775 3.029 -6.486 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.078 4.267 -8.031 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.859 3.223 -8.800 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.589 2.844 -8.969 1.00 0.00 H new ATOM 227 N ILE A 18 -2.985 -0.623 -5.629 1.00 0.00 N ATOM 228 CA ILE A 18 -2.741 -1.605 -4.586 1.00 0.00 C ATOM 229 C ILE A 18 -1.807 -2.674 -5.141 1.00 0.00 C ATOM 230 O ILE A 18 -0.737 -2.887 -4.564 1.00 0.00 O ATOM 231 CB ILE A 18 -4.081 -2.158 -4.046 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.716 -1.064 -3.170 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.931 -3.466 -3.252 1.00 0.00 C ATOM 234 CD1 ILE A 18 -6.175 -1.296 -2.791 1.00 0.00 C ATOM 0 H ILE A 18 -3.975 -0.491 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.246 -1.155 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.716 -2.409 -4.895 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.131 -0.969 -2.255 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.642 -0.112 -3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.910 -3.795 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.497 -4.233 -3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -3.279 -3.298 -2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.527 -0.469 -2.174 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.780 -1.357 -3.695 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.262 -2.228 -2.232 1.00 0.00 H new ATOM 246 N GLN A 19 -2.212 -3.333 -6.231 1.00 0.00 N ATOM 247 CA GLN A 19 -1.450 -4.387 -6.867 1.00 0.00 C ATOM 248 C GLN A 19 -0.070 -3.876 -7.301 1.00 0.00 C ATOM 249 O GLN A 19 0.932 -4.519 -6.990 1.00 0.00 O ATOM 250 CB GLN A 19 -2.277 -4.930 -8.039 1.00 0.00 C ATOM 251 CG GLN A 19 -1.730 -6.262 -8.567 1.00 0.00 C ATOM 252 CD GLN A 19 -1.530 -6.252 -10.080 1.00 0.00 C ATOM 253 OE1 GLN A 19 -0.873 -5.363 -10.617 1.00 0.00 O ATOM 254 NE2 GLN A 19 -2.083 -7.207 -10.809 1.00 0.00 N ATOM 0 H GLN A 19 -3.098 -3.137 -6.697 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.259 -5.201 -6.168 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.311 -5.065 -7.720 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.285 -4.197 -8.846 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.780 -6.480 -8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.417 -7.065 -8.300 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.627 -7.942 -10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.965 -7.208 -11.822 1.00 0.00 H new ATOM 263 N GLN A 20 0.011 -2.716 -7.967 1.00 0.00 N ATOM 264 CA GLN A 20 1.277 -2.161 -8.405 1.00 0.00 C ATOM 265 C GLN A 20 2.210 -1.892 -7.237 1.00 0.00 C ATOM 266 O GLN A 20 3.352 -2.329 -7.261 1.00 0.00 O ATOM 267 CB GLN A 20 1.057 -0.871 -9.210 1.00 0.00 C ATOM 268 CG GLN A 20 1.431 -1.078 -10.672 1.00 0.00 C ATOM 269 CD GLN A 20 2.935 -1.290 -10.861 1.00 0.00 C ATOM 270 OE1 GLN A 20 3.442 -2.403 -10.755 1.00 0.00 O ATOM 271 NE2 GLN A 20 3.704 -0.253 -11.125 1.00 0.00 N ATOM 0 H GLN A 20 -0.800 -2.147 -8.211 1.00 0.00 H new ATOM 0 HA GLN A 20 1.749 -2.905 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.014 -0.564 -9.136 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.657 -0.065 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.892 -1.941 -11.064 1.00 0.00 H new ATOM 0 HG3 GLN A 20 1.112 -0.212 -11.253 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.294 0.676 -11.215 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.710 -0.380 -11.239 1.00 0.00 H new ATOM 280 N GLY A 21 1.771 -1.155 -6.223 1.00 0.00 N ATOM 281 CA GLY A 21 2.674 -0.783 -5.155 1.00 0.00 C ATOM 282 C GLY A 21 3.035 -1.949 -4.251 1.00 0.00 C ATOM 283 O GLY A 21 4.121 -1.928 -3.671 1.00 0.00 O ATOM 0 H GLY A 21 0.816 -0.812 -6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.585 -0.368 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.216 0.005 -4.557 1.00 0.00 H new ATOM 287 N ARG A 22 2.188 -2.983 -4.147 1.00 0.00 N ATOM 288 CA ARG A 22 2.630 -4.260 -3.655 1.00 0.00 C ATOM 289 C ARG A 22 3.820 -4.756 -4.458 1.00 0.00 C ATOM 290 O ARG A 22 4.923 -4.884 -3.924 1.00 0.00 O ATOM 291 CB ARG A 22 1.488 -5.269 -3.818 1.00 0.00 C ATOM 292 CG ARG A 22 0.687 -5.418 -2.565 1.00 0.00 C ATOM 293 CD ARG A 22 0.075 -6.799 -2.450 1.00 0.00 C ATOM 294 NE ARG A 22 -0.711 -7.255 -3.613 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.308 -7.977 -4.668 1.00 0.00 C ATOM 296 NH1 ARG A 22 0.938 -8.445 -4.759 1.00 0.00 N ATOM 297 NH2 ARG A 22 -1.175 -8.231 -5.637 1.00 0.00 N ATOM 0 H ARG A 22 1.201 -2.943 -4.400 1.00 0.00 H new ATOM 0 HA ARG A 22 2.918 -4.156 -2.609 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.835 -4.949 -4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.898 -6.238 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.325 -5.230 -1.701 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.103 -4.667 -2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.876 -7.517 -2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.569 -6.818 -1.571 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.694 -6.984 -3.614 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.609 -8.256 -4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.219 -8.992 -5.573 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.130 -7.879 -5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.887 -8.779 -6.448 1.00 0.00 H new ATOM 311 N GLN A 23 3.565 -5.079 -5.727 1.00 0.00 N ATOM 312 CA GLN A 23 4.493 -5.801 -6.570 1.00 0.00 C ATOM 313 C GLN A 23 5.787 -5.008 -6.744 1.00 0.00 C ATOM 314 O GLN A 23 6.868 -5.590 -6.745 1.00 0.00 O ATOM 315 CB GLN A 23 3.776 -6.207 -7.870 1.00 0.00 C ATOM 316 CG GLN A 23 3.883 -5.266 -9.077 1.00 0.00 C ATOM 317 CD GLN A 23 5.268 -5.255 -9.722 1.00 0.00 C ATOM 318 OE1 GLN A 23 6.027 -6.219 -9.648 1.00 0.00 O ATOM 319 NE2 GLN A 23 5.657 -4.152 -10.327 1.00 0.00 N ATOM 0 H GLN A 23 2.692 -4.838 -6.196 1.00 0.00 H new ATOM 0 HA GLN A 23 4.815 -6.733 -6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.159 -7.182 -8.172 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.718 -6.337 -7.641 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.146 -5.561 -9.824 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.630 -4.254 -8.762 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.025 -3.353 -10.387 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.590 -4.096 -10.736 1.00 0.00 H new ATOM 328 N SER A 24 5.696 -3.677 -6.784 1.00 0.00 N ATOM 329 CA SER A 24 6.833 -2.789 -6.958 1.00 0.00 C ATOM 330 C SER A 24 7.741 -2.785 -5.718 1.00 0.00 C ATOM 331 O SER A 24 8.849 -2.252 -5.773 1.00 0.00 O ATOM 332 CB SER A 24 6.284 -1.398 -7.302 1.00 0.00 C ATOM 333 OG SER A 24 7.296 -0.503 -7.721 1.00 0.00 O ATOM 0 H SER A 24 4.809 -3.182 -6.694 1.00 0.00 H new ATOM 0 HA SER A 24 7.470 -3.134 -7.772 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.537 -1.491 -8.090 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.777 -0.985 -6.430 1.00 0.00 H new ATOM 0 HG SER A 24 8.147 -0.753 -7.304 1.00 0.00 H new ATOM 339 N LYS A 25 7.308 -3.379 -4.605 1.00 0.00 N ATOM 340 CA LYS A 25 8.083 -3.583 -3.387 1.00 0.00 C ATOM 341 C LYS A 25 8.226 -5.084 -3.091 1.00 0.00 C ATOM 342 O LYS A 25 8.710 -5.431 -2.013 1.00 0.00 O ATOM 343 CB LYS A 25 7.416 -2.810 -2.238 1.00 0.00 C ATOM 344 CG LYS A 25 7.377 -1.291 -2.483 1.00 0.00 C ATOM 345 CD LYS A 25 6.633 -0.543 -1.367 1.00 0.00 C ATOM 346 CE LYS A 25 7.408 -0.475 -0.043 1.00 0.00 C ATOM 347 NZ LYS A 25 8.577 0.426 -0.128 1.00 0.00 N ATOM 0 H LYS A 25 6.360 -3.748 -4.528 1.00 0.00 H new ATOM 0 HA LYS A 25 9.095 -3.196 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.399 -3.177 -2.102 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.954 -3.010 -1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.396 -0.910 -2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.892 -1.091 -3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.417 0.471 -1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.674 -1.031 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.743 -0.131 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.741 -1.475 0.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.031 0.495 0.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.258 0.047 -0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.266 1.371 -0.432 1.00 0.00 H new ATOM 361 N GLY A 26 7.793 -5.961 -4.004 1.00 0.00 N ATOM 362 CA GLY A 26 7.797 -7.413 -3.876 1.00 0.00 C ATOM 363 C GLY A 26 6.788 -7.955 -2.860 1.00 0.00 C ATOM 364 O GLY A 26 6.723 -9.166 -2.646 1.00 0.00 O ATOM 0 H GLY A 26 7.411 -5.655 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.587 -7.853 -4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.797 -7.739 -3.588 1.00 0.00 H new ATOM 368 N LEU A 27 5.987 -7.086 -2.241 1.00 0.00 N ATOM 369 CA LEU A 27 5.036 -7.433 -1.194 1.00 0.00 C ATOM 370 C LEU A 27 3.955 -8.289 -1.819 1.00 0.00 C ATOM 371 O LEU A 27 3.250 -7.859 -2.740 1.00 0.00 O ATOM 372 CB LEU A 27 4.417 -6.162 -0.587 1.00 0.00 C ATOM 373 CG LEU A 27 5.432 -5.183 0.030 1.00 0.00 C ATOM 374 CD1 LEU A 27 4.806 -3.791 0.151 1.00 0.00 C ATOM 375 CD2 LEU A 27 5.922 -5.675 1.395 1.00 0.00 C ATOM 0 H LEU A 27 5.986 -6.091 -2.465 1.00 0.00 H new ATOM 0 HA LEU A 27 5.539 -7.975 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.856 -5.641 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.701 -6.454 0.182 1.00 0.00 H new ATOM 0 HG LEU A 27 6.298 -5.127 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.530 -3.103 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.518 -3.434 -0.838 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.924 -3.843 0.789 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.637 -4.961 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.074 -5.768 2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.404 -6.646 1.280 1.00 0.00 H new ATOM 387 N THR A 28 3.816 -9.513 -1.320 1.00 0.00 N ATOM 388 CA THR A 28 2.661 -10.302 -1.683 1.00 0.00 C ATOM 389 C THR A 28 1.406 -9.732 -1.009 1.00 0.00 C ATOM 390 O THR A 28 1.483 -8.823 -0.175 1.00 0.00 O ATOM 391 CB THR A 28 2.933 -11.785 -1.433 1.00 0.00 C ATOM 392 OG1 THR A 28 1.980 -12.511 -2.157 1.00 0.00 O ATOM 393 CG2 THR A 28 2.825 -12.162 0.032 1.00 0.00 C ATOM 0 H THR A 28 4.472 -9.964 -0.682 1.00 0.00 H new ATOM 0 HA THR A 28 2.462 -10.236 -2.753 1.00 0.00 H new ATOM 0 HB THR A 28 3.953 -12.008 -1.746 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.127 -13.470 -2.020 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.028 -13.226 0.150 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.550 -11.588 0.610 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.819 -11.943 0.391 1.00 0.00 H new ATOM 401 N GLN A 29 0.234 -10.268 -1.349 1.00 0.00 N ATOM 402 CA GLN A 29 -1.014 -9.896 -0.703 1.00 0.00 C ATOM 403 C GLN A 29 -0.875 -10.042 0.812 1.00 0.00 C ATOM 404 O GLN A 29 -1.111 -9.066 1.531 1.00 0.00 O ATOM 405 CB GLN A 29 -2.172 -10.725 -1.273 1.00 0.00 C ATOM 406 CG GLN A 29 -2.809 -10.038 -2.478 1.00 0.00 C ATOM 407 CD GLN A 29 -4.017 -10.804 -3.009 1.00 0.00 C ATOM 408 OE1 GLN A 29 -4.403 -11.861 -2.516 1.00 0.00 O ATOM 409 NE2 GLN A 29 -4.672 -10.278 -4.020 1.00 0.00 N ATOM 0 H GLN A 29 0.128 -10.971 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.242 -8.850 -0.909 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -1.807 -11.710 -1.565 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.925 -10.880 -0.500 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.115 -9.030 -2.199 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.068 -9.938 -3.271 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.355 -9.401 -4.432 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -5.498 -10.747 -4.392 1.00 0.00 H new ATOM 418 N LYS A 30 -0.490 -11.221 1.306 1.00 0.00 N ATOM 419 CA LYS A 30 -0.296 -11.464 2.733 1.00 0.00 C ATOM 420 C LYS A 30 0.743 -10.530 3.341 1.00 0.00 C ATOM 421 O LYS A 30 0.680 -10.250 4.534 1.00 0.00 O ATOM 422 CB LYS A 30 0.058 -12.932 2.981 1.00 0.00 C ATOM 423 CG LYS A 30 -0.828 -13.493 4.102 1.00 0.00 C ATOM 424 CD LYS A 30 -0.536 -14.975 4.292 1.00 0.00 C ATOM 425 CE LYS A 30 -1.212 -15.794 3.184 1.00 0.00 C ATOM 426 NZ LYS A 30 -0.883 -17.226 3.285 1.00 0.00 N ATOM 0 H LYS A 30 -0.304 -12.037 0.722 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.239 -11.247 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.084 -13.510 2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.109 -13.022 3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.642 -12.954 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.880 -13.348 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.540 -15.146 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.896 -15.302 5.267 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.293 -15.664 3.244 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.899 -15.417 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.358 -17.746 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.146 -17.352 3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.204 -17.592 4.204 1.00 0.00 H new ATOM 440 N ASP A 31 1.711 -10.038 2.568 1.00 0.00 N ATOM 441 CA ASP A 31 2.637 -9.023 3.096 1.00 0.00 C ATOM 442 C ASP A 31 1.926 -7.700 3.325 1.00 0.00 C ATOM 443 O ASP A 31 2.192 -7.025 4.316 1.00 0.00 O ATOM 444 CB ASP A 31 3.879 -8.844 2.221 1.00 0.00 C ATOM 445 CG ASP A 31 4.773 -10.081 2.225 1.00 0.00 C ATOM 446 OD1 ASP A 31 4.664 -10.921 3.152 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.484 -10.288 1.215 1.00 0.00 O ATOM 0 H ASP A 31 1.877 -10.313 1.600 1.00 0.00 H new ATOM 0 HA ASP A 31 2.989 -9.391 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.572 -8.624 1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.449 -7.985 2.575 1.00 0.00 H new ATOM 452 N LEU A 32 0.976 -7.342 2.465 1.00 0.00 N ATOM 453 CA LEU A 32 0.227 -6.100 2.567 1.00 0.00 C ATOM 454 C LEU A 32 -0.697 -6.119 3.779 1.00 0.00 C ATOM 455 O LEU A 32 -0.699 -5.189 4.583 1.00 0.00 O ATOM 456 CB LEU A 32 -0.567 -5.901 1.269 1.00 0.00 C ATOM 457 CG LEU A 32 -0.682 -4.441 0.826 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.484 -3.576 1.802 1.00 0.00 C ATOM 459 CD2 LEU A 32 0.720 -3.861 0.583 1.00 0.00 C ATOM 0 H LEU A 32 0.704 -7.917 1.668 1.00 0.00 H new ATOM 0 HA LEU A 32 0.915 -5.266 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.092 -6.475 0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.569 -6.309 1.402 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.245 -4.427 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.528 -2.553 1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.495 -3.973 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.001 -3.586 2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.634 -2.821 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.300 -3.914 1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.222 -4.436 -0.195 1.00 0.00 H new ATOM 471 N ALA A 33 -1.456 -7.205 3.923 1.00 0.00 N ATOM 472 CA ALA A 33 -2.315 -7.446 5.070 1.00 0.00 C ATOM 473 C ALA A 33 -1.507 -7.301 6.356 1.00 0.00 C ATOM 474 O ALA A 33 -1.878 -6.540 7.245 1.00 0.00 O ATOM 475 CB ALA A 33 -2.919 -8.840 4.942 1.00 0.00 C ATOM 0 H ALA A 33 -1.488 -7.953 3.230 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.124 -6.716 5.104 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.567 -9.036 5.796 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.502 -8.901 4.023 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.120 -9.581 4.915 1.00 0.00 H new ATOM 481 N THR A 34 -0.378 -7.994 6.449 1.00 0.00 N ATOM 482 CA THR A 34 0.480 -7.964 7.623 1.00 0.00 C ATOM 483 C THR A 34 1.139 -6.585 7.808 1.00 0.00 C ATOM 484 O THR A 34 1.320 -6.163 8.953 1.00 0.00 O ATOM 485 CB THR A 34 1.445 -9.151 7.494 1.00 0.00 C ATOM 486 OG1 THR A 34 0.638 -10.319 7.509 1.00 0.00 O ATOM 487 CG2 THR A 34 2.462 -9.257 8.631 1.00 0.00 C ATOM 0 H THR A 34 -0.031 -8.598 5.704 1.00 0.00 H new ATOM 0 HA THR A 34 -0.081 -8.086 8.550 1.00 0.00 H new ATOM 0 HB THR A 34 2.025 -9.021 6.580 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.444 -10.594 6.589 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.105 -10.121 8.464 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.070 -8.353 8.661 1.00 0.00 H new ATOM 0 HG23 THR A 34 1.937 -9.373 9.579 1.00 0.00 H new ATOM 495 N LYS A 35 1.412 -5.818 6.743 1.00 0.00 N ATOM 496 CA LYS A 35 1.843 -4.424 6.839 1.00 0.00 C ATOM 497 C LYS A 35 0.794 -3.571 7.548 1.00 0.00 C ATOM 498 O LYS A 35 1.149 -2.846 8.475 1.00 0.00 O ATOM 499 CB LYS A 35 2.169 -3.845 5.448 1.00 0.00 C ATOM 500 CG LYS A 35 3.671 -3.884 5.151 1.00 0.00 C ATOM 501 CD LYS A 35 4.005 -3.213 3.814 1.00 0.00 C ATOM 502 CE LYS A 35 5.486 -2.820 3.713 1.00 0.00 C ATOM 503 NZ LYS A 35 5.814 -1.563 4.424 1.00 0.00 N ATOM 0 H LYS A 35 1.338 -6.155 5.783 1.00 0.00 H new ATOM 0 HA LYS A 35 2.755 -4.402 7.435 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.633 -4.410 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.814 -2.816 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.213 -3.384 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.011 -4.919 5.133 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.755 -3.890 2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.386 -2.324 3.692 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.096 -3.627 4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.755 -2.714 2.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.828 -1.357 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.257 -0.782 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.588 -1.666 5.434 1.00 0.00 H new ATOM 517 N ILE A 36 -0.481 -3.642 7.155 1.00 0.00 N ATOM 518 CA ILE A 36 -1.523 -2.790 7.743 1.00 0.00 C ATOM 519 C ILE A 36 -2.134 -3.393 9.016 1.00 0.00 C ATOM 520 O ILE A 36 -2.908 -2.725 9.698 1.00 0.00 O ATOM 521 CB ILE A 36 -2.592 -2.417 6.700 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.443 -3.604 6.222 1.00 0.00 C ATOM 523 CG2 ILE A 36 -1.940 -1.675 5.522 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.676 -3.135 5.441 1.00 0.00 C ATOM 0 H ILE A 36 -0.818 -4.279 6.433 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.038 -1.866 8.058 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.297 -1.753 7.199 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.838 -4.256 5.591 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.759 -4.196 7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.703 -1.415 4.789 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.461 -0.766 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.193 -2.318 5.056 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.254 -4.001 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.294 -2.504 6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.358 -2.565 4.568 1.00 0.00 H new ATOM 536 N ASN A 37 -1.744 -4.625 9.338 1.00 0.00 N ATOM 537 CA ASN A 37 -2.269 -5.508 10.366 1.00 0.00 C ATOM 538 C ASN A 37 -3.758 -5.818 10.171 1.00 0.00 C ATOM 539 O ASN A 37 -4.605 -5.452 10.985 1.00 0.00 O ATOM 540 CB ASN A 37 -1.911 -5.027 11.780 1.00 0.00 C ATOM 541 CG ASN A 37 -1.933 -6.209 12.735 1.00 0.00 C ATOM 542 OD1 ASN A 37 -1.191 -7.165 12.536 1.00 0.00 O ATOM 543 ND2 ASN A 37 -2.707 -6.172 13.800 1.00 0.00 N ATOM 0 H ASN A 37 -0.977 -5.069 8.833 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.766 -6.468 10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.924 -4.564 11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.620 -4.267 12.108 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.693 -6.943 14.468 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.321 -5.373 13.957 1.00 0.00 H new ATOM 550 N GLU A 38 -4.062 -6.511 9.072 1.00 0.00 N ATOM 551 CA GLU A 38 -5.383 -6.997 8.678 1.00 0.00 C ATOM 552 C GLU A 38 -5.292 -8.459 8.221 1.00 0.00 C ATOM 553 O GLU A 38 -4.207 -9.058 8.200 1.00 0.00 O ATOM 554 CB GLU A 38 -5.948 -6.114 7.554 1.00 0.00 C ATOM 555 CG GLU A 38 -6.581 -4.823 8.091 1.00 0.00 C ATOM 556 CD GLU A 38 -8.101 -4.820 7.959 1.00 0.00 C ATOM 557 OE1 GLU A 38 -8.612 -4.395 6.902 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.806 -5.236 8.911 1.00 0.00 O ATOM 0 H GLU A 38 -3.346 -6.763 8.391 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.055 -6.945 9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.149 -5.862 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.695 -6.676 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.310 -4.698 9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.171 -3.969 7.552 1.00 0.00 H new ATOM 565 N LYS A 39 -6.436 -9.043 7.854 1.00 0.00 N ATOM 566 CA LYS A 39 -6.532 -10.338 7.181 1.00 0.00 C ATOM 567 C LYS A 39 -6.225 -10.154 5.696 1.00 0.00 C ATOM 568 O LYS A 39 -6.530 -9.107 5.126 1.00 0.00 O ATOM 569 CB LYS A 39 -7.956 -10.897 7.304 1.00 0.00 C ATOM 570 CG LYS A 39 -8.383 -11.273 8.723 1.00 0.00 C ATOM 571 CD LYS A 39 -7.726 -12.534 9.291 1.00 0.00 C ATOM 572 CE LYS A 39 -8.542 -12.973 10.512 1.00 0.00 C ATOM 573 NZ LYS A 39 -7.923 -14.094 11.244 1.00 0.00 N ATOM 0 H LYS A 39 -7.346 -8.614 8.022 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.824 -11.025 7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.655 -10.157 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.040 -11.780 6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.160 -10.437 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.464 -11.409 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.704 -13.325 8.541 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.693 -12.333 9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.660 -12.126 11.188 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.541 -13.264 10.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.518 -14.348 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.834 -14.915 10.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.980 -13.811 11.579 1.00 0.00 H new ATOM 587 N PRO A 40 -5.705 -11.182 5.018 1.00 0.00 N ATOM 588 CA PRO A 40 -5.377 -11.091 3.607 1.00 0.00 C ATOM 589 C PRO A 40 -6.560 -11.241 2.650 1.00 0.00 C ATOM 590 O PRO A 40 -6.443 -10.956 1.454 1.00 0.00 O ATOM 591 CB PRO A 40 -4.303 -12.160 3.396 1.00 0.00 C ATOM 592 CG PRO A 40 -4.625 -13.218 4.451 1.00 0.00 C ATOM 593 CD PRO A 40 -5.193 -12.404 5.602 1.00 0.00 C ATOM 0 HA PRO A 40 -5.029 -10.087 3.364 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.344 -12.575 2.389 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.301 -11.752 3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.345 -13.948 4.081 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.735 -13.771 4.751 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.984 -12.952 6.113 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.424 -12.189 6.343 1.00 0.00 H new ATOM 601 N GLN A 41 -7.717 -11.675 3.140 1.00 0.00 N ATOM 602 CA GLN A 41 -8.892 -11.847 2.296 1.00 0.00 C ATOM 603 C GLN A 41 -9.449 -10.495 1.898 1.00 0.00 C ATOM 604 O GLN A 41 -9.796 -10.285 0.738 1.00 0.00 O ATOM 605 CB GLN A 41 -9.946 -12.654 3.045 1.00 0.00 C ATOM 606 CG GLN A 41 -9.376 -14.026 3.417 1.00 0.00 C ATOM 607 CD GLN A 41 -10.169 -15.170 2.808 1.00 0.00 C ATOM 608 OE1 GLN A 41 -10.730 -15.989 3.532 1.00 0.00 O ATOM 609 NE2 GLN A 41 -10.226 -15.257 1.488 1.00 0.00 N ATOM 0 H GLN A 41 -7.865 -11.914 4.120 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.609 -12.385 1.391 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.255 -12.121 3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.834 -12.774 2.425 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.340 -14.088 3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.368 -14.131 4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.751 -14.563 0.910 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.745 -16.018 1.049 1.00 0.00 H new ATOM 618 N VAL A 42 -9.525 -9.582 2.860 1.00 0.00 N ATOM 619 CA VAL A 42 -10.178 -8.305 2.666 1.00 0.00 C ATOM 620 C VAL A 42 -9.358 -7.484 1.658 1.00 0.00 C ATOM 621 O VAL A 42 -9.923 -6.879 0.756 1.00 0.00 O ATOM 622 CB VAL A 42 -10.461 -7.661 4.044 1.00 0.00 C ATOM 623 CG1 VAL A 42 -11.000 -8.710 5.047 1.00 0.00 C ATOM 624 CG2 VAL A 42 -9.253 -6.962 4.676 1.00 0.00 C ATOM 0 H VAL A 42 -9.134 -9.712 3.793 1.00 0.00 H new ATOM 0 HA VAL A 42 -11.165 -8.389 2.212 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.210 -6.895 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.191 -8.231 6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.927 -9.137 4.664 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.262 -9.502 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.540 -6.539 5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.450 -7.684 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.908 -6.165 4.018 1.00 0.00 H new ATOM 634 N ILE A 43 -8.022 -7.568 1.728 1.00 0.00 N ATOM 635 CA ILE A 43 -7.079 -7.027 0.751 1.00 0.00 C ATOM 636 C ILE A 43 -7.375 -7.571 -0.651 1.00 0.00 C ATOM 637 O ILE A 43 -7.461 -6.801 -1.612 1.00 0.00 O ATOM 638 CB ILE A 43 -5.646 -7.389 1.205 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.199 -6.663 2.485 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.586 -7.215 0.103 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.236 -5.136 2.384 1.00 0.00 C ATOM 0 H ILE A 43 -7.553 -8.036 2.503 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.179 -5.943 0.698 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.714 -8.452 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.838 -6.977 3.310 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.184 -6.975 2.731 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.606 -7.487 0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.831 -7.858 -0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.569 -6.176 -0.225 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.906 -4.701 3.327 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.574 -4.808 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.254 -4.810 2.170 1.00 0.00 H new ATOM 653 N ALA A 44 -7.503 -8.893 -0.784 1.00 0.00 N ATOM 654 CA ALA A 44 -7.801 -9.506 -2.072 1.00 0.00 C ATOM 655 C ALA A 44 -9.128 -8.984 -2.647 1.00 0.00 C ATOM 656 O ALA A 44 -9.275 -8.845 -3.866 1.00 0.00 O ATOM 657 CB ALA A 44 -7.782 -11.030 -1.937 1.00 0.00 C ATOM 0 H ALA A 44 -7.404 -9.555 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.028 -9.224 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.005 -11.484 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.796 -11.353 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.531 -11.340 -1.208 1.00 0.00 H new ATOM 663 N ASP A 45 -10.074 -8.627 -1.781 1.00 0.00 N ATOM 664 CA ASP A 45 -11.353 -8.071 -2.185 1.00 0.00 C ATOM 665 C ASP A 45 -11.225 -6.589 -2.561 1.00 0.00 C ATOM 666 O ASP A 45 -11.922 -6.155 -3.478 1.00 0.00 O ATOM 667 CB ASP A 45 -12.448 -8.331 -1.141 1.00 0.00 C ATOM 668 CG ASP A 45 -13.426 -9.392 -1.633 1.00 0.00 C ATOM 669 OD1 ASP A 45 -12.997 -10.525 -1.955 1.00 0.00 O ATOM 670 OD2 ASP A 45 -14.633 -9.106 -1.705 1.00 0.00 O ATOM 0 H ASP A 45 -9.968 -8.718 -0.771 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.670 -8.594 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.994 -8.655 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.984 -7.405 -0.932 1.00 0.00 H new ATOM 675 N TYR A 46 -10.307 -5.821 -1.958 1.00 0.00 N ATOM 676 CA TYR A 46 -9.975 -4.468 -2.421 1.00 0.00 C ATOM 677 C TYR A 46 -9.477 -4.511 -3.864 1.00 0.00 C ATOM 678 O TYR A 46 -9.892 -3.683 -4.675 1.00 0.00 O ATOM 679 CB TYR A 46 -8.923 -3.774 -1.530 1.00 0.00 C ATOM 680 CG TYR A 46 -9.487 -2.924 -0.409 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.843 -3.518 0.814 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.647 -1.535 -0.583 1.00 0.00 C ATOM 683 CE1 TYR A 46 -10.447 -2.759 1.828 1.00 0.00 C ATOM 684 CE2 TYR A 46 -10.214 -0.760 0.444 1.00 0.00 C ATOM 685 CZ TYR A 46 -10.667 -1.378 1.633 1.00 0.00 C ATOM 686 OH TYR A 46 -11.351 -0.656 2.562 1.00 0.00 O ATOM 0 H TYR A 46 -9.776 -6.119 -1.139 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.892 -3.881 -2.360 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.277 -4.537 -1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.294 -3.145 -2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.650 -4.568 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.334 -1.066 -1.504 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.742 -3.229 2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.304 0.310 0.325 1.00 0.00 H new ATOM 0 HH TYR A 46 -12.312 -0.714 2.379 1.00 0.00 H new ATOM 696 N GLU A 47 -8.608 -5.468 -4.197 1.00 0.00 N ATOM 697 CA GLU A 47 -7.914 -5.521 -5.471 1.00 0.00 C ATOM 698 C GLU A 47 -8.846 -5.524 -6.673 1.00 0.00 C ATOM 699 O GLU A 47 -8.576 -4.852 -7.663 1.00 0.00 O ATOM 700 CB GLU A 47 -7.035 -6.772 -5.521 1.00 0.00 C ATOM 701 CG GLU A 47 -5.605 -6.318 -5.752 1.00 0.00 C ATOM 702 CD GLU A 47 -4.729 -7.506 -6.113 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.934 -8.139 -7.176 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.905 -7.887 -5.255 1.00 0.00 O ATOM 0 H GLU A 47 -8.368 -6.238 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.315 -4.612 -5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.113 -7.333 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.360 -7.437 -6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.575 -5.579 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.220 -5.833 -4.855 1.00 0.00 H new ATOM 711 N SER A 48 -9.944 -6.265 -6.577 1.00 0.00 N ATOM 712 CA SER A 48 -10.936 -6.340 -7.644 1.00 0.00 C ATOM 713 C SER A 48 -12.211 -5.556 -7.350 1.00 0.00 C ATOM 714 O SER A 48 -13.178 -5.661 -8.111 1.00 0.00 O ATOM 715 CB SER A 48 -11.268 -7.786 -7.945 1.00 0.00 C ATOM 716 OG SER A 48 -10.277 -8.358 -8.775 1.00 0.00 O ATOM 0 H SER A 48 -10.172 -6.830 -5.759 1.00 0.00 H new ATOM 0 HA SER A 48 -10.484 -5.870 -8.518 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.342 -8.350 -7.015 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.240 -7.848 -8.433 1.00 0.00 H new ATOM 0 HG SER A 48 -10.505 -9.293 -8.959 1.00 0.00 H new ATOM 722 N GLY A 49 -12.239 -4.750 -6.290 1.00 0.00 N ATOM 723 CA GLY A 49 -13.262 -3.731 -6.178 1.00 0.00 C ATOM 724 C GLY A 49 -14.436 -4.119 -5.293 1.00 0.00 C ATOM 725 O GLY A 49 -15.371 -3.331 -5.162 1.00 0.00 O ATOM 0 H GLY A 49 -11.577 -4.786 -5.515 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.810 -2.821 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.635 -3.496 -7.175 1.00 0.00 H new ATOM 729 N ARG A 50 -14.445 -5.326 -4.725 1.00 0.00 N ATOM 730 CA ARG A 50 -15.586 -5.834 -3.964 1.00 0.00 C ATOM 731 C ARG A 50 -15.521 -5.550 -2.470 1.00 0.00 C ATOM 732 O ARG A 50 -16.578 -5.532 -1.840 1.00 0.00 O ATOM 733 CB ARG A 50 -15.727 -7.336 -4.188 1.00 0.00 C ATOM 734 CG ARG A 50 -16.026 -7.652 -5.664 1.00 0.00 C ATOM 735 CD ARG A 50 -17.017 -8.808 -5.809 1.00 0.00 C ATOM 736 NE ARG A 50 -16.545 -10.029 -5.143 1.00 0.00 N ATOM 737 CZ ARG A 50 -17.283 -11.110 -4.894 1.00 0.00 C ATOM 738 NH1 ARG A 50 -18.498 -11.236 -5.421 1.00 0.00 N ATOM 739 NH2 ARG A 50 -16.794 -12.060 -4.113 1.00 0.00 N ATOM 0 H ARG A 50 -13.662 -5.978 -4.780 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.457 -5.296 -4.339 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.809 -7.840 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -16.528 -7.727 -3.560 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -16.430 -6.764 -6.151 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.098 -7.903 -6.177 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.979 -8.515 -5.388 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -17.181 -9.013 -6.867 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.569 -10.051 -4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.872 -10.501 -6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.055 -12.067 -5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.863 -11.959 -3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.349 -12.893 -3.914 1.00 0.00 H new ATOM 753 N ALA A 51 -14.342 -5.292 -1.897 1.00 0.00 N ATOM 754 CA ALA A 51 -14.310 -4.745 -0.545 1.00 0.00 C ATOM 755 C ALA A 51 -14.927 -3.353 -0.613 1.00 0.00 C ATOM 756 O ALA A 51 -14.724 -2.648 -1.610 1.00 0.00 O ATOM 757 CB ALA A 51 -12.886 -4.640 0.006 1.00 0.00 C ATOM 0 H ALA A 51 -13.432 -5.447 -2.330 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.860 -5.408 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.916 -4.227 1.014 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.432 -5.631 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.295 -3.987 -0.636 1.00 0.00 H new ATOM 763 N ILE A 52 -15.632 -2.933 0.432 1.00 0.00 N ATOM 764 CA ILE A 52 -16.109 -1.566 0.535 1.00 0.00 C ATOM 765 C ILE A 52 -14.869 -0.711 0.837 1.00 0.00 C ATOM 766 O ILE A 52 -14.205 -0.948 1.855 1.00 0.00 O ATOM 767 CB ILE A 52 -17.223 -1.430 1.585 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.339 -2.487 1.426 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.821 -0.018 1.482 1.00 0.00 C ATOM 770 CD1 ILE A 52 -18.999 -2.582 0.043 1.00 0.00 C ATOM 0 H ILE A 52 -15.885 -3.527 1.222 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.578 -1.227 -0.389 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.779 -1.598 2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.922 -3.463 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.116 -2.277 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.614 0.096 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.042 0.721 1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.231 0.131 0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.764 -3.358 0.058 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.457 -1.625 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.245 -2.830 -0.704 1.00 0.00 H new ATOM 782 N PRO A 53 -14.474 0.223 -0.044 1.00 0.00 N ATOM 783 CA PRO A 53 -13.294 1.025 0.188 1.00 0.00 C ATOM 784 C PRO A 53 -13.599 2.007 1.315 1.00 0.00 C ATOM 785 O PRO A 53 -14.570 2.771 1.256 1.00 0.00 O ATOM 786 CB PRO A 53 -12.950 1.671 -1.150 1.00 0.00 C ATOM 787 CG PRO A 53 -14.295 1.778 -1.849 1.00 0.00 C ATOM 788 CD PRO A 53 -15.137 0.641 -1.270 1.00 0.00 C ATOM 0 HA PRO A 53 -12.422 0.460 0.518 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.488 2.649 -1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.248 1.063 -1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.760 2.746 -1.663 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.187 1.678 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -16.154 0.975 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.209 -0.187 -1.975 1.00 0.00 H new ATOM 796 N ASN A 54 -12.790 1.962 2.368 1.00 0.00 N ATOM 797 CA ASN A 54 -13.017 2.687 3.604 1.00 0.00 C ATOM 798 C ASN A 54 -11.725 3.386 3.970 1.00 0.00 C ATOM 799 O ASN A 54 -10.700 2.721 4.137 1.00 0.00 O ATOM 800 CB ASN A 54 -13.424 1.705 4.710 1.00 0.00 C ATOM 801 CG ASN A 54 -13.765 2.400 6.026 1.00 0.00 C ATOM 802 OD1 ASN A 54 -13.495 3.578 6.242 1.00 0.00 O ATOM 803 ND2 ASN A 54 -14.364 1.668 6.939 1.00 0.00 N ATOM 0 H ASN A 54 -11.936 1.404 2.381 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.818 3.417 3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.286 1.127 4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.612 0.998 4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.610 2.078 7.840 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.583 0.691 6.746 1.00 0.00 H new ATOM 810 N ASN A 55 -11.774 4.707 4.112 1.00 0.00 N ATOM 811 CA ASN A 55 -10.645 5.545 4.480 1.00 0.00 C ATOM 812 C ASN A 55 -9.881 5.036 5.693 1.00 0.00 C ATOM 813 O ASN A 55 -8.655 5.151 5.726 1.00 0.00 O ATOM 814 CB ASN A 55 -11.126 6.973 4.718 1.00 0.00 C ATOM 815 CG ASN A 55 -9.977 7.906 5.055 1.00 0.00 C ATOM 816 OD1 ASN A 55 -9.160 8.235 4.199 1.00 0.00 O ATOM 817 ND2 ASN A 55 -9.887 8.345 6.292 1.00 0.00 N ATOM 0 H ASN A 55 -12.632 5.239 3.968 1.00 0.00 H new ATOM 0 HA ASN A 55 -9.943 5.515 3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.640 7.336 3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.852 6.981 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.127 8.972 6.557 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.577 8.058 6.986 1.00 0.00 H new ATOM 824 N GLN A 56 -10.581 4.426 6.653 1.00 0.00 N ATOM 825 CA GLN A 56 -9.956 3.894 7.852 1.00 0.00 C ATOM 826 C GLN A 56 -8.859 2.869 7.530 1.00 0.00 C ATOM 827 O GLN A 56 -7.855 2.800 8.246 1.00 0.00 O ATOM 828 CB GLN A 56 -11.021 3.333 8.804 1.00 0.00 C ATOM 829 CG GLN A 56 -11.906 4.482 9.321 1.00 0.00 C ATOM 830 CD GLN A 56 -12.453 4.253 10.727 1.00 0.00 C ATOM 831 OE1 GLN A 56 -12.324 5.112 11.600 1.00 0.00 O ATOM 832 NE2 GLN A 56 -13.039 3.110 11.019 1.00 0.00 N ATOM 0 H GLN A 56 -11.591 4.291 6.615 1.00 0.00 H new ATOM 0 HA GLN A 56 -9.452 4.715 8.362 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -11.632 2.593 8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -10.543 2.823 9.641 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -11.328 5.406 9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.741 4.622 8.635 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.149 2.395 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.383 2.940 11.964 1.00 0.00 H new ATOM 841 N VAL A 57 -9.047 2.075 6.475 1.00 0.00 N ATOM 842 CA VAL A 57 -8.112 1.093 5.939 1.00 0.00 C ATOM 843 C VAL A 57 -7.278 1.723 4.818 1.00 0.00 C ATOM 844 O VAL A 57 -6.072 1.496 4.803 1.00 0.00 O ATOM 845 CB VAL A 57 -8.936 -0.131 5.473 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.056 -1.238 4.879 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.746 -0.730 6.638 1.00 0.00 C ATOM 0 H VAL A 57 -9.914 2.105 5.939 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.398 0.760 6.693 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.607 0.239 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.683 -2.074 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.515 -0.849 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.344 -1.579 5.630 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.315 -1.588 6.282 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.066 -1.048 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.431 0.022 7.030 1.00 0.00 H new ATOM 857 N LEU A 58 -7.854 2.525 3.911 1.00 0.00 N ATOM 858 CA LEU A 58 -7.103 3.118 2.796 1.00 0.00 C ATOM 859 C LEU A 58 -5.923 3.931 3.312 1.00 0.00 C ATOM 860 O LEU A 58 -4.839 3.822 2.752 1.00 0.00 O ATOM 861 CB LEU A 58 -7.988 3.985 1.880 1.00 0.00 C ATOM 862 CG LEU A 58 -8.961 3.159 1.019 1.00 0.00 C ATOM 863 CD1 LEU A 58 -9.976 4.098 0.372 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.239 2.383 -0.090 1.00 0.00 C ATOM 0 H LEU A 58 -8.842 2.778 3.929 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.731 2.289 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.558 4.684 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.350 4.580 1.227 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.450 2.438 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.669 3.520 -0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.531 4.625 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.455 4.821 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.967 1.816 -0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.719 3.083 -0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.517 1.698 0.356 1.00 0.00 H new ATOM 876 N GLY A 59 -6.083 4.678 4.408 1.00 0.00 N ATOM 877 CA GLY A 59 -4.978 5.413 5.008 1.00 0.00 C ATOM 878 C GLY A 59 -3.822 4.499 5.426 1.00 0.00 C ATOM 879 O GLY A 59 -2.655 4.848 5.243 1.00 0.00 O ATOM 0 H GLY A 59 -6.972 4.787 4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.612 6.155 4.298 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.340 5.958 5.880 1.00 0.00 H new ATOM 883 N LYS A 60 -4.131 3.312 5.955 1.00 0.00 N ATOM 884 CA LYS A 60 -3.138 2.295 6.268 1.00 0.00 C ATOM 885 C LYS A 60 -2.472 1.781 4.988 1.00 0.00 C ATOM 886 O LYS A 60 -1.247 1.682 4.940 1.00 0.00 O ATOM 887 CB LYS A 60 -3.797 1.165 7.080 1.00 0.00 C ATOM 888 CG LYS A 60 -4.327 1.658 8.434 1.00 0.00 C ATOM 889 CD LYS A 60 -4.571 0.516 9.435 1.00 0.00 C ATOM 890 CE LYS A 60 -5.970 -0.104 9.428 1.00 0.00 C ATOM 891 NZ LYS A 60 -6.973 0.813 10.006 1.00 0.00 N ATOM 0 H LYS A 60 -5.086 3.033 6.178 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.348 2.729 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.618 0.737 6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.073 0.367 7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.614 2.363 8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.259 2.202 8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.846 -0.273 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.368 0.891 10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.252 -0.355 8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.959 -1.036 9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.750 0.260 10.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.528 1.393 10.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.348 1.432 9.259 1.00 0.00 H new ATOM 905 N ILE A 61 -3.258 1.447 3.960 1.00 0.00 N ATOM 906 CA ILE A 61 -2.758 0.918 2.688 1.00 0.00 C ATOM 907 C ILE A 61 -1.828 1.929 2.022 1.00 0.00 C ATOM 908 O ILE A 61 -0.843 1.537 1.400 1.00 0.00 O ATOM 909 CB ILE A 61 -3.933 0.517 1.772 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.653 -0.691 2.405 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.489 0.178 0.334 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.894 -1.112 1.625 1.00 0.00 C ATOM 0 H ILE A 61 -4.274 1.538 3.989 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.175 0.017 2.879 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.603 1.372 1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.962 -1.532 2.461 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.938 -0.444 3.428 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.360 -0.096 -0.261 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.004 1.047 -0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.788 -0.657 0.357 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.360 -1.966 2.116 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.601 -0.283 1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.609 -1.388 0.610 1.00 0.00 H new ATOM 924 N GLU A 62 -2.093 3.224 2.165 1.00 0.00 N ATOM 925 CA GLU A 62 -1.189 4.231 1.627 1.00 0.00 C ATOM 926 C GLU A 62 0.217 4.039 2.190 1.00 0.00 C ATOM 927 O GLU A 62 1.166 3.939 1.412 1.00 0.00 O ATOM 928 CB GLU A 62 -1.664 5.657 1.936 1.00 0.00 C ATOM 929 CG GLU A 62 -2.885 6.107 1.140 1.00 0.00 C ATOM 930 CD GLU A 62 -3.406 7.477 1.569 1.00 0.00 C ATOM 931 OE1 GLU A 62 -2.978 8.057 2.593 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.306 7.993 0.869 1.00 0.00 O ATOM 0 H GLU A 62 -2.914 3.596 2.642 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.178 4.102 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.894 5.727 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.845 6.349 1.741 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.630 6.137 0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.679 5.370 1.256 1.00 0.00 H new ATOM 939 N ARG A 63 0.370 3.918 3.518 1.00 0.00 N ATOM 940 CA ARG A 63 1.684 3.661 4.118 1.00 0.00 C ATOM 941 C ARG A 63 2.273 2.354 3.590 1.00 0.00 C ATOM 942 O ARG A 63 3.487 2.264 3.387 1.00 0.00 O ATOM 943 CB ARG A 63 1.629 3.599 5.654 1.00 0.00 C ATOM 944 CG ARG A 63 0.814 4.704 6.347 1.00 0.00 C ATOM 945 CD ARG A 63 1.389 4.999 7.742 1.00 0.00 C ATOM 946 NE ARG A 63 0.353 5.226 8.758 1.00 0.00 N ATOM 947 CZ ARG A 63 -0.135 4.319 9.612 1.00 0.00 C ATOM 948 NH1 ARG A 63 0.228 3.036 9.559 1.00 0.00 N ATOM 949 NH2 ARG A 63 -1.018 4.709 10.518 1.00 0.00 N ATOM 0 H ARG A 63 -0.394 3.994 4.190 1.00 0.00 H new ATOM 0 HA ARG A 63 2.319 4.500 3.834 1.00 0.00 H new ATOM 0 HB2 ARG A 63 1.214 2.634 5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.649 3.635 6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.829 5.610 5.741 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.228 4.396 6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.017 4.164 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.032 5.878 7.685 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.033 6.168 8.819 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.895 2.723 8.853 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.162 2.368 10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.314 5.685 10.555 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.403 4.034 11.179 1.00 0.00 H new ATOM 963 N ALA A 64 1.414 1.364 3.346 1.00 0.00 N ATOM 964 CA ALA A 64 1.785 0.019 2.956 1.00 0.00 C ATOM 965 C ALA A 64 2.580 -0.025 1.648 1.00 0.00 C ATOM 966 O ALA A 64 3.437 -0.895 1.497 1.00 0.00 O ATOM 967 CB ALA A 64 0.516 -0.829 2.846 1.00 0.00 C ATOM 0 H ALA A 64 0.404 1.490 3.420 1.00 0.00 H new ATOM 0 HA ALA A 64 2.446 -0.384 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.781 -1.845 2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.008 -0.851 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.147 -0.397 2.096 1.00 0.00 H new ATOM 973 N ILE A 65 2.305 0.888 0.710 1.00 0.00 N ATOM 974 CA ILE A 65 3.028 0.993 -0.562 1.00 0.00 C ATOM 975 C ILE A 65 3.797 2.320 -0.685 1.00 0.00 C ATOM 976 O ILE A 65 4.602 2.489 -1.604 1.00 0.00 O ATOM 977 CB ILE A 65 2.057 0.797 -1.738 1.00 0.00 C ATOM 978 CG1 ILE A 65 0.982 1.896 -1.836 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.423 -0.601 -1.651 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.131 1.781 -3.099 1.00 0.00 C ATOM 0 H ILE A 65 1.566 1.583 0.814 1.00 0.00 H new ATOM 0 HA ILE A 65 3.775 0.200 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 65 2.637 0.880 -2.657 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.334 1.843 -0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.465 2.873 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.734 -0.741 -2.484 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.205 -1.359 -1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.879 -0.696 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.609 2.581 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.771 1.863 -3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.377 0.817 -3.109 1.00 0.00 H new ATOM 992 N GLY A 66 3.527 3.277 0.206 1.00 0.00 N ATOM 993 CA GLY A 66 4.048 4.636 0.202 1.00 0.00 C ATOM 994 C GLY A 66 3.599 5.431 -1.012 1.00 0.00 C ATOM 995 O GLY A 66 4.404 6.178 -1.566 1.00 0.00 O ATOM 0 H GLY A 66 2.901 3.109 0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.723 5.148 1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.137 4.604 0.228 1.00 0.00 H new ATOM 999 N LEU A 67 2.344 5.289 -1.443 1.00 0.00 N ATOM 1000 CA LEU A 67 1.760 6.102 -2.507 1.00 0.00 C ATOM 1001 C LEU A 67 0.295 6.396 -2.174 1.00 0.00 C ATOM 1002 O LEU A 67 -0.283 5.745 -1.304 1.00 0.00 O ATOM 1003 CB LEU A 67 1.819 5.381 -3.870 1.00 0.00 C ATOM 1004 CG LEU A 67 3.190 4.904 -4.394 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.950 3.980 -5.589 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.111 6.046 -4.851 1.00 0.00 C ATOM 0 H LEU A 67 1.699 4.599 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 67 2.336 7.025 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.165 4.511 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.394 6.051 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 67 3.690 4.402 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.907 3.630 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.352 3.125 -5.274 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.420 4.525 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.055 5.632 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.631 6.599 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.301 6.717 -4.014 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.295 7.378 -2.859 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.672 7.824 -2.717 1.00 0.00 C ATOM 1020 C LYS A 68 -2.640 6.765 -3.221 1.00 0.00 C ATOM 1021 O LYS A 68 -2.380 6.153 -4.260 1.00 0.00 O ATOM 1022 CB LYS A 68 -1.848 9.099 -3.530 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.074 10.254 -2.878 1.00 0.00 C ATOM 1024 CD LYS A 68 -1.224 11.447 -3.798 1.00 0.00 C ATOM 1025 CE LYS A 68 -0.359 12.636 -3.376 1.00 0.00 C ATOM 1026 NZ LYS A 68 -0.588 13.820 -4.226 1.00 0.00 N ATOM 0 H LYS A 68 0.210 7.911 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.885 8.005 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.492 8.942 -4.548 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.906 9.353 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -1.471 10.476 -1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.024 9.993 -2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.958 11.152 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.270 11.754 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.574 12.889 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.693 12.354 -3.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.019 14.601 -3.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.359 13.588 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.586 14.107 -4.160 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.781 6.621 -2.547 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.882 5.713 -2.869 1.00 0.00 C ATOM 1042 C LEU A 69 -6.172 6.490 -3.178 1.00 0.00 C ATOM 1043 O LEU A 69 -7.214 5.872 -3.399 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.069 4.718 -1.711 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.191 3.457 -1.794 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.581 2.527 -2.937 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.694 3.685 -1.952 1.00 0.00 C ATOM 0 H LEU A 69 -3.973 7.170 -1.709 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.639 5.153 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.856 5.230 -0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.115 4.413 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.383 3.017 -0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.923 1.658 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.613 2.201 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.486 3.056 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.182 2.724 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.506 4.241 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.321 4.254 -1.100 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.131 7.827 -3.208 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.262 8.675 -3.565 1.00 0.00 C ATOM 1061 C ARG A 70 -6.815 9.826 -4.454 1.00 0.00 C ATOM 1062 O ARG A 70 -5.637 10.192 -4.482 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.923 9.210 -2.286 1.00 0.00 C ATOM 1064 CG ARG A 70 -8.987 8.245 -1.757 1.00 0.00 C ATOM 1065 CD ARG A 70 -9.612 8.864 -0.509 1.00 0.00 C ATOM 1066 NE ARG A 70 -10.925 8.304 -0.161 1.00 0.00 N ATOM 1067 CZ ARG A 70 -12.102 8.543 -0.755 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -12.167 9.168 -1.927 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -13.226 8.155 -0.161 1.00 0.00 N ATOM 0 H ARG A 70 -5.290 8.356 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.986 8.082 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.162 9.369 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.378 10.179 -2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.749 8.066 -2.515 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.541 7.279 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.934 8.724 0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.715 9.938 -0.661 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.943 7.656 0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.311 9.475 -2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.073 9.341 -2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -13.188 7.679 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.126 8.333 -0.607 1.00 0.00 H new ATOM 1083 N GLY A 71 -7.799 10.439 -5.107 1.00 0.00 N ATOM 1084 CA GLY A 71 -7.629 11.426 -6.157 1.00 0.00 C ATOM 1085 C GLY A 71 -7.194 10.747 -7.447 1.00 0.00 C ATOM 1086 O GLY A 71 -6.749 9.602 -7.440 1.00 0.00 O ATOM 0 H GLY A 71 -8.781 10.249 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.564 11.963 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.885 12.164 -5.856 1.00 0.00 H new ATOM 1090 N LYS A 72 -7.255 11.456 -8.579 1.00 0.00 N ATOM 1091 CA LYS A 72 -6.626 10.941 -9.799 1.00 0.00 C ATOM 1092 C LYS A 72 -5.099 11.063 -9.703 1.00 0.00 C ATOM 1093 O LYS A 72 -4.395 10.484 -10.529 1.00 0.00 O ATOM 1094 CB LYS A 72 -7.214 11.593 -11.063 1.00 0.00 C ATOM 1095 CG LYS A 72 -8.706 11.239 -11.231 1.00 0.00 C ATOM 1096 CD LYS A 72 -9.306 11.718 -12.560 1.00 0.00 C ATOM 1097 CE LYS A 72 -8.809 10.859 -13.728 1.00 0.00 C ATOM 1098 NZ LYS A 72 -9.178 11.425 -15.039 1.00 0.00 N ATOM 0 H LYS A 72 -7.718 12.360 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.854 9.879 -9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.099 12.675 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.658 11.260 -11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.825 10.158 -11.157 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.270 11.679 -10.408 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.394 11.674 -12.509 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.037 12.760 -12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.725 10.763 -13.669 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.224 9.855 -13.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.820 10.809 -15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.213 11.493 -15.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.761 12.373 -15.138 1.00 0.00 H new ATOM 1112 N ASP A 73 -4.576 11.725 -8.660 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.177 11.667 -8.223 1.00 0.00 C ATOM 1114 C ASP A 73 -2.796 10.282 -7.665 1.00 0.00 C ATOM 1115 O ASP A 73 -1.713 10.144 -7.096 1.00 0.00 O ATOM 1116 CB ASP A 73 -2.857 12.712 -7.133 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.111 14.168 -7.496 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -2.755 14.603 -8.610 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -3.554 14.938 -6.612 1.00 0.00 O ATOM 0 H ASP A 73 -5.142 12.340 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.596 11.879 -9.120 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.446 12.473 -6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.808 12.607 -6.856 1.00 0.00 H new ATOM 1124 N ILE A 74 -3.659 9.263 -7.749 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.375 7.935 -7.232 1.00 0.00 C ATOM 1126 C ILE A 74 -2.023 7.421 -7.749 1.00 0.00 C ATOM 1127 O ILE A 74 -1.657 7.655 -8.907 1.00 0.00 O ATOM 1128 CB ILE A 74 -4.556 6.999 -7.569 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -4.654 5.954 -6.454 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -4.549 6.512 -9.032 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -5.855 5.023 -6.564 1.00 0.00 C ATOM 0 H ILE A 74 -4.579 9.346 -8.182 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.280 7.967 -6.147 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.509 7.529 -7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.744 5.354 -6.455 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.696 6.468 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.405 5.859 -9.202 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.609 7.370 -9.701 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.628 5.962 -9.228 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.845 4.316 -5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -6.774 5.609 -6.531 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.807 4.477 -7.506 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.271 6.711 -6.908 1.00 0.00 N ATOM 1144 CA GLY A 75 0.044 6.213 -7.286 1.00 0.00 C ATOM 1145 C GLY A 75 1.116 7.308 -7.408 1.00 0.00 C ATOM 1146 O GLY A 75 2.248 7.008 -7.800 1.00 0.00 O ATOM 0 H GLY A 75 -1.554 6.469 -5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.370 5.481 -6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.037 5.690 -8.239 1.00 0.00 H new ATOM 1150 N LYS A 76 0.831 8.579 -7.107 1.00 0.00 N ATOM 1151 CA LYS A 76 1.843 9.573 -6.780 1.00 0.00 C ATOM 1152 C LYS A 76 2.188 9.353 -5.303 1.00 0.00 C ATOM 1153 O LYS A 76 1.369 8.819 -4.560 1.00 0.00 O ATOM 1154 CB LYS A 76 1.305 10.997 -6.999 1.00 0.00 C ATOM 1155 CG LYS A 76 0.782 11.247 -8.416 1.00 0.00 C ATOM 1156 CD LYS A 76 1.757 11.927 -9.371 1.00 0.00 C ATOM 1157 CE LYS A 76 1.291 11.580 -10.792 1.00 0.00 C ATOM 1158 NZ LYS A 76 1.828 12.471 -11.838 1.00 0.00 N ATOM 0 H LYS A 76 -0.121 8.945 -7.085 1.00 0.00 H new ATOM 0 HA LYS A 76 2.720 9.466 -7.418 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.502 11.186 -6.286 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.098 11.713 -6.783 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.486 10.291 -8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.118 11.858 -8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.761 13.006 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.775 11.577 -9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.584 10.555 -11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.202 11.615 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.468 12.172 -12.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.528 13.449 -11.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.867 12.421 -11.837 1.00 0.00 H new ATOM 1172 N PRO A 77 3.382 9.740 -4.862 1.00 0.00 N ATOM 1173 CA PRO A 77 3.870 9.423 -3.531 1.00 0.00 C ATOM 1174 C PRO A 77 3.143 10.194 -2.426 1.00 0.00 C ATOM 1175 O PRO A 77 2.595 11.281 -2.639 1.00 0.00 O ATOM 1176 CB PRO A 77 5.381 9.674 -3.573 1.00 0.00 C ATOM 1177 CG PRO A 77 5.614 10.521 -4.828 1.00 0.00 C ATOM 1178 CD PRO A 77 4.404 10.272 -5.722 1.00 0.00 C ATOM 0 HA PRO A 77 3.664 8.385 -3.271 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.718 10.196 -2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.934 8.736 -3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.704 11.578 -4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.538 10.233 -5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.073 11.195 -6.197 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.646 9.571 -6.521 1.00 0.00 H new ATOM 1186 N ILE A 78 3.205 9.650 -1.212 1.00 0.00 N ATOM 1187 CA ILE A 78 2.745 10.299 0.011 1.00 0.00 C ATOM 1188 C ILE A 78 3.991 10.834 0.703 1.00 0.00 C ATOM 1189 O ILE A 78 5.052 10.222 0.586 1.00 0.00 O ATOM 1190 CB ILE A 78 1.960 9.327 0.921 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.761 8.059 1.270 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.645 8.928 0.246 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.016 7.114 2.214 1.00 0.00 C ATOM 0 H ILE A 78 3.588 8.719 -1.049 1.00 0.00 H new ATOM 0 HA ILE A 78 2.047 11.104 -0.218 1.00 0.00 H new ATOM 0 HB ILE A 78 1.764 9.856 1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.004 7.526 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.706 8.349 1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.097 8.243 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.043 9.819 0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.858 8.438 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.636 6.241 2.419 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.797 7.631 3.148 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.083 6.795 1.748 1.00 0.00 H new