USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 506 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 63 THR OG1 : rot 180:sc= 0.226 USER MOD Set 1.2: A 65 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 66 GLN : amide:sc= -0.0441 K(o=0.18,f=-0.5) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0.354 USER MOD Set 2.2: A 40 GLN : amide:sc= 0.705 K(o=1.1,f=-5.1!) USER MOD Single : A 23 TYR OH : rot -173:sc= -0.489 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.16) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 38 GLN : amide:sc= 0.379 K(o=0.38,f=-0.99) USER MOD Single : A 39 GLN : amide:sc= 0.317 X(o=0.32,f=-0.014) USER MOD Single : A 43 GLN : amide:sc= 0.522 K(o=0.52,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0181) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.391 K(o=0.39,f=-4.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -88:sc= 0.919 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 141:sc= -0.205 (180deg=-1.39!) USER MOD Single : A 69 GLN : amide:sc= 0.624 K(o=0.62,f=-0.31) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -137:sc= 0.446 (180deg=-0.698) USER MOD ----------------------------------------------------------------- ATOM 152 N TYR A 23 10.507 -2.762 8.446 1.00 0.00 N ATOM 153 CA TYR A 23 9.522 -2.456 7.438 1.00 0.00 C ATOM 154 C TYR A 23 8.265 -1.771 7.989 1.00 0.00 C ATOM 155 O TYR A 23 7.588 -2.334 8.844 1.00 0.00 O ATOM 156 CB TYR A 23 9.257 -3.737 6.647 1.00 0.00 C ATOM 157 CG TYR A 23 8.563 -3.404 5.342 1.00 0.00 C ATOM 158 CD1 TYR A 23 9.258 -2.767 4.300 1.00 0.00 C ATOM 159 CD2 TYR A 23 7.196 -3.652 5.124 1.00 0.00 C ATOM 160 CE1 TYR A 23 8.561 -2.348 3.155 1.00 0.00 C ATOM 161 CE2 TYR A 23 6.504 -3.362 3.948 1.00 0.00 C ATOM 162 CZ TYR A 23 7.225 -2.711 2.927 1.00 0.00 C ATOM 163 OH TYR A 23 6.687 -2.430 1.701 1.00 0.00 O ATOM 0 HA TYR A 23 9.911 -1.698 6.759 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.197 -4.253 6.448 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.639 -4.416 7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.322 -2.601 4.379 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.638 -4.103 5.931 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.068 -1.729 2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.464 -3.624 3.826 1.00 0.00 H new ATOM 0 HH TYR A 23 5.728 -2.631 1.711 1.00 0.00 H new ATOM 173 N TYR A 24 8.057 -0.510 7.602 1.00 0.00 N ATOM 174 CA TYR A 24 7.075 0.418 8.092 1.00 0.00 C ATOM 175 C TYR A 24 5.612 -0.003 7.979 1.00 0.00 C ATOM 176 O TYR A 24 5.177 -0.709 7.073 1.00 0.00 O ATOM 177 CB TYR A 24 7.230 1.701 7.293 1.00 0.00 C ATOM 178 CG TYR A 24 8.613 2.307 7.427 1.00 0.00 C ATOM 179 CD1 TYR A 24 9.269 2.390 8.662 1.00 0.00 C ATOM 180 CD2 TYR A 24 9.137 2.962 6.303 1.00 0.00 C ATOM 181 CE1 TYR A 24 10.475 3.087 8.702 1.00 0.00 C ATOM 182 CE2 TYR A 24 10.315 3.739 6.359 1.00 0.00 C ATOM 183 CZ TYR A 24 11.007 3.750 7.587 1.00 0.00 C ATOM 184 OH TYR A 24 12.240 4.311 7.742 1.00 0.00 O ATOM 0 H TYR A 24 8.632 -0.090 6.871 1.00 0.00 H new ATOM 0 HA TYR A 24 7.272 0.506 9.161 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.027 1.497 6.242 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.486 2.425 7.627 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.856 1.932 9.549 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.620 2.869 5.359 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.023 3.118 9.632 1.00 0.00 H new ATOM 0 HE2 TYR A 24 10.668 4.297 5.504 1.00 0.00 H new ATOM 0 HH TYR A 24 12.510 4.743 6.905 1.00 0.00 H new ATOM 194 N LYS A 25 4.809 0.388 8.975 1.00 0.00 N ATOM 195 CA LYS A 25 3.566 -0.264 9.305 1.00 0.00 C ATOM 196 C LYS A 25 2.310 0.583 9.141 1.00 0.00 C ATOM 197 O LYS A 25 1.241 0.085 9.458 1.00 0.00 O ATOM 198 CB LYS A 25 3.728 -0.869 10.694 1.00 0.00 C ATOM 199 CG LYS A 25 2.743 -1.997 11.025 1.00 0.00 C ATOM 200 CD LYS A 25 2.680 -2.533 12.445 1.00 0.00 C ATOM 201 CE LYS A 25 2.009 -3.893 12.590 1.00 0.00 C ATOM 202 NZ LYS A 25 2.161 -4.552 13.907 1.00 0.00 N ATOM 0 H LYS A 25 5.022 1.183 9.577 1.00 0.00 H new ATOM 0 HA LYS A 25 3.382 -1.046 8.569 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.744 -1.253 10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.614 -0.078 11.435 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.744 -1.648 10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.972 -2.836 10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.695 -2.602 12.837 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.146 -1.813 13.066 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.945 -3.775 12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.409 -4.558 11.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.668 -5.468 13.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.171 -4.705 14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.752 -3.947 14.647 1.00 0.00 H new ATOM 216 N ILE A 26 2.441 1.870 8.796 1.00 0.00 N ATOM 217 CA ILE A 26 1.403 2.870 8.692 1.00 0.00 C ATOM 218 C ILE A 26 0.110 2.434 7.995 1.00 0.00 C ATOM 219 O ILE A 26 -0.959 2.805 8.437 1.00 0.00 O ATOM 220 CB ILE A 26 1.910 4.112 7.982 1.00 0.00 C ATOM 221 CG1 ILE A 26 2.942 3.931 6.871 1.00 0.00 C ATOM 222 CG2 ILE A 26 2.506 5.000 9.061 1.00 0.00 C ATOM 223 CD1 ILE A 26 3.142 5.218 6.072 1.00 0.00 C ATOM 0 H ILE A 26 3.356 2.257 8.566 1.00 0.00 H new ATOM 0 HA ILE A 26 1.148 3.064 9.734 1.00 0.00 H new ATOM 0 HB ILE A 26 1.050 4.525 7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.893 3.620 7.304 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.620 3.133 6.202 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.890 5.914 8.609 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.737 5.251 9.791 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.320 4.472 9.558 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.883 5.050 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.197 5.515 5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.489 6.009 6.737 1.00 0.00 H new ATOM 235 N ILE A 27 0.288 1.823 6.812 1.00 0.00 N ATOM 236 CA ILE A 27 -0.868 1.351 6.093 1.00 0.00 C ATOM 237 C ILE A 27 -1.517 0.090 6.667 1.00 0.00 C ATOM 238 O ILE A 27 -2.669 -0.213 6.369 1.00 0.00 O ATOM 239 CB ILE A 27 -0.813 1.370 4.561 1.00 0.00 C ATOM 240 CG1 ILE A 27 0.089 0.187 4.165 1.00 0.00 C ATOM 241 CG2 ILE A 27 -0.332 2.724 4.024 1.00 0.00 C ATOM 242 CD1 ILE A 27 0.055 -0.064 2.664 1.00 0.00 C ATOM 0 H ILE A 27 1.188 1.657 6.362 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.563 2.164 6.303 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.800 1.254 4.113 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.113 0.389 4.478 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.234 -0.711 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.307 2.695 2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.015 3.508 4.351 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.668 2.932 4.404 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.703 -0.906 2.421 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.966 -0.291 2.356 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.403 0.825 2.138 1.00 0.00 H new ATOM 254 N LYS A 28 -0.870 -0.684 7.529 1.00 0.00 N ATOM 255 CA LYS A 28 -1.258 -2.070 7.722 1.00 0.00 C ATOM 256 C LYS A 28 -2.604 -2.415 8.341 1.00 0.00 C ATOM 257 O LYS A 28 -3.455 -3.081 7.739 1.00 0.00 O ATOM 258 CB LYS A 28 0.018 -2.713 8.285 1.00 0.00 C ATOM 259 CG LYS A 28 -0.116 -4.229 8.063 1.00 0.00 C ATOM 260 CD LYS A 28 0.710 -5.015 9.063 1.00 0.00 C ATOM 261 CE LYS A 28 0.670 -6.543 8.922 1.00 0.00 C ATOM 262 NZ LYS A 28 -0.533 -7.012 9.650 1.00 0.00 N ATOM 0 H LYS A 28 -0.082 -0.377 8.099 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.571 -2.524 6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.902 -2.325 7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.131 -2.486 9.345 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.163 -4.519 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.203 -4.479 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.747 -4.690 8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.373 -4.754 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.623 -6.833 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.572 -6.993 9.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.536 -8.052 9.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.521 -6.636 10.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.387 -6.678 9.160 1.00 0.00 H new ATOM 276 N THR A 29 -2.858 -1.935 9.550 1.00 0.00 N ATOM 277 CA THR A 29 -4.143 -2.071 10.228 1.00 0.00 C ATOM 278 C THR A 29 -5.244 -1.529 9.338 1.00 0.00 C ATOM 279 O THR A 29 -6.271 -2.210 9.226 1.00 0.00 O ATOM 280 CB THR A 29 -4.094 -1.391 11.594 1.00 0.00 C ATOM 281 OG1 THR A 29 -3.132 -2.286 12.079 1.00 0.00 O ATOM 282 CG2 THR A 29 -5.302 -1.493 12.508 1.00 0.00 C ATOM 0 H THR A 29 -2.163 -1.429 10.100 1.00 0.00 H new ATOM 0 HA THR A 29 -4.362 -3.123 10.412 1.00 0.00 H new ATOM 0 HB THR A 29 -3.962 -0.310 11.544 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.906 -2.054 13.004 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.103 -0.957 13.436 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.170 -1.055 12.015 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.502 -2.541 12.731 1.00 0.00 H new ATOM 290 N ALA A 30 -5.015 -0.405 8.642 1.00 0.00 N ATOM 291 CA ALA A 30 -5.992 0.166 7.733 1.00 0.00 C ATOM 292 C ALA A 30 -6.362 -0.608 6.484 1.00 0.00 C ATOM 293 O ALA A 30 -7.556 -0.708 6.200 1.00 0.00 O ATOM 294 CB ALA A 30 -5.401 1.537 7.400 1.00 0.00 C ATOM 0 H ALA A 30 -4.145 0.125 8.701 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.963 0.175 8.228 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.064 2.062 6.712 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.293 2.119 8.315 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.424 1.409 6.935 1.00 0.00 H new ATOM 300 N ARG A 31 -5.380 -1.144 5.756 1.00 0.00 N ATOM 301 CA ARG A 31 -5.586 -2.165 4.749 1.00 0.00 C ATOM 302 C ARG A 31 -6.476 -3.300 5.239 1.00 0.00 C ATOM 303 O ARG A 31 -7.299 -3.785 4.462 1.00 0.00 O ATOM 304 CB ARG A 31 -4.227 -2.579 4.211 1.00 0.00 C ATOM 305 CG ARG A 31 -4.267 -3.122 2.774 1.00 0.00 C ATOM 306 CD ARG A 31 -2.848 -3.444 2.306 1.00 0.00 C ATOM 307 NE ARG A 31 -2.159 -4.548 2.984 1.00 0.00 N ATOM 308 CZ ARG A 31 -0.836 -4.505 3.155 1.00 0.00 C ATOM 309 NH1 ARG A 31 -0.016 -3.690 2.489 1.00 0.00 N ATOM 310 NH2 ARG A 31 -0.270 -5.159 4.191 1.00 0.00 N ATOM 0 H ARG A 31 -4.403 -0.869 5.859 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.159 -1.769 3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.556 -1.721 4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.804 -3.341 4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.887 -4.018 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.722 -2.387 2.110 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.886 -3.671 1.241 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.242 -2.545 2.419 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.691 -5.349 3.325 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.392 -3.044 1.795 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.987 -3.713 2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.853 -5.685 4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.741 -5.127 4.323 1.00 0.00 H new ATOM 324 N GLU A 32 -6.292 -3.769 6.475 1.00 0.00 N ATOM 325 CA GLU A 32 -7.036 -4.839 7.080 1.00 0.00 C ATOM 326 C GLU A 32 -8.457 -4.418 7.463 1.00 0.00 C ATOM 327 O GLU A 32 -9.252 -5.336 7.318 1.00 0.00 O ATOM 328 CB GLU A 32 -6.232 -5.374 8.268 1.00 0.00 C ATOM 329 CG GLU A 32 -5.106 -6.240 7.700 1.00 0.00 C ATOM 330 CD GLU A 32 -4.064 -6.601 8.758 1.00 0.00 C ATOM 331 OE1 GLU A 32 -4.283 -6.498 9.981 1.00 0.00 O ATOM 332 OE2 GLU A 32 -2.928 -6.982 8.410 1.00 0.00 O ATOM 0 H GLU A 32 -5.582 -3.384 7.098 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.173 -5.642 6.355 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.825 -4.553 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.869 -5.958 8.932 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.529 -7.154 7.282 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.620 -5.710 6.881 1.00 0.00 H new ATOM 339 N GLN A 33 -8.692 -3.216 7.984 1.00 0.00 N ATOM 340 CA GLN A 33 -10.028 -2.792 8.350 1.00 0.00 C ATOM 341 C GLN A 33 -10.976 -2.753 7.166 1.00 0.00 C ATOM 342 O GLN A 33 -12.181 -3.027 7.245 1.00 0.00 O ATOM 343 CB GLN A 33 -9.803 -1.446 9.030 1.00 0.00 C ATOM 344 CG GLN A 33 -9.530 -1.601 10.523 1.00 0.00 C ATOM 345 CD GLN A 33 -9.207 -0.332 11.301 1.00 0.00 C ATOM 346 OE1 GLN A 33 -9.415 0.760 10.783 1.00 0.00 O ATOM 347 NE2 GLN A 33 -8.792 -0.313 12.562 1.00 0.00 N ATOM 0 H GLN A 33 -7.967 -2.521 8.160 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.533 -3.491 9.016 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.962 -0.937 8.558 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.680 -0.815 8.885 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.403 -2.066 10.981 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.698 -2.295 10.645 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.601 -1.188 13.049 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.664 0.577 13.043 1.00 0.00 H new ATOM 356 N LEU A 34 -10.467 -2.267 6.042 1.00 0.00 N ATOM 357 CA LEU A 34 -11.091 -2.287 4.732 1.00 0.00 C ATOM 358 C LEU A 34 -11.410 -3.713 4.285 1.00 0.00 C ATOM 359 O LEU A 34 -12.465 -3.979 3.707 1.00 0.00 O ATOM 360 CB LEU A 34 -10.156 -1.629 3.727 1.00 0.00 C ATOM 361 CG LEU A 34 -9.858 -0.140 3.871 1.00 0.00 C ATOM 362 CD1 LEU A 34 -8.651 0.288 3.047 1.00 0.00 C ATOM 363 CD2 LEU A 34 -11.074 0.669 3.455 1.00 0.00 C ATOM 0 H LEU A 34 -9.550 -1.821 6.023 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.031 -1.739 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.205 -2.161 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.574 -1.788 2.733 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.624 0.047 4.919 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.478 1.356 3.182 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.772 -0.266 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.838 0.081 1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.857 1.732 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -11.319 0.449 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -11.920 0.407 4.091 1.00 0.00 H new ATOM 375 N GLY A 35 -10.527 -4.630 4.666 1.00 0.00 N ATOM 376 CA GLY A 35 -10.467 -6.033 4.295 1.00 0.00 C ATOM 377 C GLY A 35 -10.239 -6.302 2.822 1.00 0.00 C ATOM 378 O GLY A 35 -10.428 -7.408 2.318 1.00 0.00 O ATOM 0 H GLY A 35 -9.767 -4.384 5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.667 -6.508 4.863 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.399 -6.512 4.595 1.00 0.00 H new ATOM 382 N ILE A 36 -10.059 -5.248 2.037 1.00 0.00 N ATOM 383 CA ILE A 36 -10.109 -5.273 0.576 1.00 0.00 C ATOM 384 C ILE A 36 -8.983 -6.067 -0.067 1.00 0.00 C ATOM 385 O ILE A 36 -7.908 -6.334 0.457 1.00 0.00 O ATOM 386 CB ILE A 36 -10.314 -3.902 -0.027 1.00 0.00 C ATOM 387 CG1 ILE A 36 -9.120 -2.983 0.216 1.00 0.00 C ATOM 388 CG2 ILE A 36 -11.695 -3.354 0.334 1.00 0.00 C ATOM 389 CD1 ILE A 36 -9.269 -1.596 -0.410 1.00 0.00 C ATOM 0 H ILE A 36 -9.867 -4.318 2.410 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.007 -5.838 0.327 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.334 -3.975 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.972 -2.872 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.223 -3.456 -0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.822 -2.367 -0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -12.464 -4.025 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.785 -3.279 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.381 -1.002 -0.194 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.386 -1.695 -1.489 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.147 -1.101 0.006 1.00 0.00 H new ATOM 401 N SER A 37 -9.256 -6.558 -1.285 1.00 0.00 N ATOM 402 CA SER A 37 -8.303 -7.386 -1.974 1.00 0.00 C ATOM 403 C SER A 37 -7.199 -6.585 -2.661 1.00 0.00 C ATOM 404 O SER A 37 -7.164 -5.363 -2.715 1.00 0.00 O ATOM 405 CB SER A 37 -9.099 -8.164 -3.011 1.00 0.00 C ATOM 406 OG SER A 37 -9.798 -7.285 -3.868 1.00 0.00 O ATOM 0 H SER A 37 -10.124 -6.389 -1.794 1.00 0.00 H new ATOM 0 HA SER A 37 -7.795 -8.032 -1.258 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.427 -8.792 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.803 -8.829 -2.512 1.00 0.00 H new ATOM 0 HG SER A 37 -10.302 -7.804 -4.529 1.00 0.00 H new ATOM 412 N GLN A 38 -6.162 -7.266 -3.163 1.00 0.00 N ATOM 413 CA GLN A 38 -5.125 -6.611 -3.927 1.00 0.00 C ATOM 414 C GLN A 38 -5.854 -5.920 -5.079 1.00 0.00 C ATOM 415 O GLN A 38 -5.543 -4.769 -5.353 1.00 0.00 O ATOM 416 CB GLN A 38 -4.057 -7.605 -4.383 1.00 0.00 C ATOM 417 CG GLN A 38 -3.147 -8.056 -3.256 1.00 0.00 C ATOM 418 CD GLN A 38 -2.413 -9.364 -3.520 1.00 0.00 C ATOM 419 OE1 GLN A 38 -2.609 -10.014 -4.545 1.00 0.00 O ATOM 420 NE2 GLN A 38 -1.672 -9.946 -2.579 1.00 0.00 N ATOM 0 H GLN A 38 -6.030 -8.271 -3.047 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.569 -5.880 -3.340 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.543 -8.477 -4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.455 -7.148 -5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.412 -7.274 -3.065 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.741 -8.164 -2.348 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.476 -9.454 -1.707 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.300 -10.884 -2.730 1.00 0.00 H new ATOM 429 N GLN A 39 -6.845 -6.511 -5.739 1.00 0.00 N ATOM 430 CA GLN A 39 -7.541 -5.850 -6.827 1.00 0.00 C ATOM 431 C GLN A 39 -8.487 -4.719 -6.445 1.00 0.00 C ATOM 432 O GLN A 39 -8.600 -3.768 -7.204 1.00 0.00 O ATOM 433 CB GLN A 39 -8.393 -6.942 -7.499 1.00 0.00 C ATOM 434 CG GLN A 39 -7.670 -8.063 -8.220 1.00 0.00 C ATOM 435 CD GLN A 39 -7.526 -9.329 -7.391 1.00 0.00 C ATOM 436 OE1 GLN A 39 -8.415 -10.153 -7.269 1.00 0.00 O ATOM 437 NE2 GLN A 39 -6.444 -9.465 -6.616 1.00 0.00 N ATOM 0 H GLN A 39 -7.182 -7.452 -5.535 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.776 -5.385 -7.448 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.026 -7.390 -6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.055 -6.456 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.208 -8.299 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.679 -7.716 -8.512 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.678 -8.796 -6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -6.385 -10.238 -5.953 1.00 0.00 H new ATOM 446 N GLN A 40 -9.200 -4.667 -5.324 1.00 0.00 N ATOM 447 CA GLN A 40 -9.923 -3.472 -4.926 1.00 0.00 C ATOM 448 C GLN A 40 -8.989 -2.295 -4.630 1.00 0.00 C ATOM 449 O GLN A 40 -9.287 -1.220 -5.129 1.00 0.00 O ATOM 450 CB GLN A 40 -10.731 -3.789 -3.668 1.00 0.00 C ATOM 451 CG GLN A 40 -11.942 -4.586 -4.129 1.00 0.00 C ATOM 452 CD GLN A 40 -12.535 -5.405 -2.981 1.00 0.00 C ATOM 453 OE1 GLN A 40 -11.957 -5.965 -2.064 1.00 0.00 O ATOM 454 NE2 GLN A 40 -13.870 -5.352 -2.968 1.00 0.00 N ATOM 0 H GLN A 40 -9.290 -5.447 -4.673 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.569 -3.180 -5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.136 -4.362 -2.957 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.037 -2.874 -3.162 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.698 -3.908 -4.524 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.654 -5.251 -4.943 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.369 -4.888 -3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.390 -5.776 -2.199 1.00 0.00 H new ATOM 463 N LEU A 41 -7.840 -2.545 -4.020 1.00 0.00 N ATOM 464 CA LEU A 41 -6.800 -1.612 -3.650 1.00 0.00 C ATOM 465 C LEU A 41 -6.024 -1.037 -4.822 1.00 0.00 C ATOM 466 O LEU A 41 -5.686 0.147 -4.825 1.00 0.00 O ATOM 467 CB LEU A 41 -5.917 -2.193 -2.557 1.00 0.00 C ATOM 468 CG LEU A 41 -4.651 -1.489 -2.080 1.00 0.00 C ATOM 469 CD1 LEU A 41 -5.152 -0.280 -1.281 1.00 0.00 C ATOM 470 CD2 LEU A 41 -3.939 -2.486 -1.167 1.00 0.00 C ATOM 0 H LEU A 41 -7.595 -3.497 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.301 -0.738 -3.234 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.550 -2.328 -1.680 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.617 -3.187 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.973 -1.169 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.300 0.283 -0.901 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.751 0.361 -1.928 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.762 -0.623 -0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.019 -2.041 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.589 -2.741 -0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.701 -3.389 -1.730 1.00 0.00 H new ATOM 482 N ALA A 42 -5.806 -1.902 -5.809 1.00 0.00 N ATOM 483 CA ALA A 42 -5.284 -1.581 -7.116 1.00 0.00 C ATOM 484 C ALA A 42 -6.170 -0.601 -7.866 1.00 0.00 C ATOM 485 O ALA A 42 -5.679 0.358 -8.464 1.00 0.00 O ATOM 486 CB ALA A 42 -5.046 -2.875 -7.899 1.00 0.00 C ATOM 0 H ALA A 42 -6.002 -2.897 -5.703 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.329 -1.070 -6.995 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.652 -2.635 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.329 -3.498 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.987 -3.414 -8.005 1.00 0.00 H new ATOM 492 N GLN A 43 -7.484 -0.857 -7.860 1.00 0.00 N ATOM 493 CA GLN A 43 -8.495 0.043 -8.381 1.00 0.00 C ATOM 494 C GLN A 43 -8.537 1.347 -7.614 1.00 0.00 C ATOM 495 O GLN A 43 -8.768 2.385 -8.249 1.00 0.00 O ATOM 496 CB GLN A 43 -9.797 -0.761 -8.467 1.00 0.00 C ATOM 497 CG GLN A 43 -9.699 -1.823 -9.549 1.00 0.00 C ATOM 498 CD GLN A 43 -10.947 -2.689 -9.528 1.00 0.00 C ATOM 499 OE1 GLN A 43 -11.969 -2.275 -10.069 1.00 0.00 O ATOM 500 NE2 GLN A 43 -10.972 -3.842 -8.878 1.00 0.00 N ATOM 0 H GLN A 43 -7.873 -1.720 -7.481 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.271 0.395 -9.388 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.004 -1.231 -7.506 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.630 -0.092 -8.681 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.587 -1.352 -10.526 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.814 -2.439 -9.389 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.127 -4.191 -8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.837 -4.381 -8.829 1.00 0.00 H new ATOM 509 N LYS A 44 -8.492 1.316 -6.287 1.00 0.00 N ATOM 510 CA LYS A 44 -8.630 2.465 -5.404 1.00 0.00 C ATOM 511 C LYS A 44 -7.440 3.397 -5.496 1.00 0.00 C ATOM 512 O LYS A 44 -7.575 4.588 -5.204 1.00 0.00 O ATOM 513 CB LYS A 44 -8.855 1.866 -4.016 1.00 0.00 C ATOM 514 CG LYS A 44 -9.014 2.836 -2.852 1.00 0.00 C ATOM 515 CD LYS A 44 -10.348 3.571 -2.830 1.00 0.00 C ATOM 516 CE LYS A 44 -10.309 4.674 -1.766 1.00 0.00 C ATOM 517 NZ LYS A 44 -11.444 5.580 -1.984 1.00 0.00 N ATOM 0 H LYS A 44 -8.351 0.446 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.465 3.109 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.748 1.242 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.016 1.207 -3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.899 2.287 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.208 3.569 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.553 4.003 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.156 2.872 -2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.360 4.238 -0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.370 5.224 -1.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.429 6.334 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.374 6.002 -2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.334 5.047 -1.907 1.00 0.00 H new ATOM 531 N LEU A 45 -6.351 2.926 -6.094 1.00 0.00 N ATOM 532 CA LEU A 45 -5.051 3.570 -6.159 1.00 0.00 C ATOM 533 C LEU A 45 -4.656 3.789 -7.615 1.00 0.00 C ATOM 534 O LEU A 45 -3.718 4.505 -7.959 1.00 0.00 O ATOM 535 CB LEU A 45 -3.869 2.854 -5.510 1.00 0.00 C ATOM 536 CG LEU A 45 -3.703 2.997 -3.999 1.00 0.00 C ATOM 537 CD1 LEU A 45 -4.978 2.853 -3.170 1.00 0.00 C ATOM 538 CD2 LEU A 45 -2.661 2.100 -3.347 1.00 0.00 C ATOM 0 H LEU A 45 -6.357 2.027 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.215 4.481 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.951 1.792 -5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.956 3.214 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.359 4.031 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.740 2.973 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.695 3.617 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.410 1.866 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.635 2.292 -2.274 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.919 1.056 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.681 2.309 -3.777 1.00 0.00 H new ATOM 550 N LYS A 46 -5.500 3.430 -8.599 1.00 0.00 N ATOM 551 CA LYS A 46 -5.349 3.291 -10.028 1.00 0.00 C ATOM 552 C LYS A 46 -4.345 2.236 -10.463 1.00 0.00 C ATOM 553 O LYS A 46 -4.554 1.583 -11.484 1.00 0.00 O ATOM 554 CB LYS A 46 -5.203 4.692 -10.616 1.00 0.00 C ATOM 555 CG LYS A 46 -6.375 5.662 -10.480 1.00 0.00 C ATOM 556 CD LYS A 46 -5.974 6.842 -9.583 1.00 0.00 C ATOM 557 CE LYS A 46 -7.069 7.896 -9.713 1.00 0.00 C ATOM 558 NZ LYS A 46 -6.755 8.726 -10.877 1.00 0.00 N ATOM 0 H LYS A 46 -6.459 3.196 -8.344 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.245 2.851 -10.466 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.332 5.157 -10.154 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.982 4.585 -11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.673 6.026 -11.463 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.237 5.147 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.870 6.520 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.010 7.248 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.043 7.422 -9.833 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.121 8.506 -8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.635 9.109 -11.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.137 9.510 -10.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.270 8.149 -11.594 1.00 0.00 H new ATOM 572 N VAL A 47 -3.229 2.001 -9.774 1.00 0.00 N ATOM 573 CA VAL A 47 -1.975 1.351 -10.107 1.00 0.00 C ATOM 574 C VAL A 47 -2.029 -0.177 -10.117 1.00 0.00 C ATOM 575 O VAL A 47 -2.973 -0.753 -9.562 1.00 0.00 O ATOM 576 CB VAL A 47 -0.826 1.768 -9.194 1.00 0.00 C ATOM 577 CG1 VAL A 47 -0.731 3.287 -9.205 1.00 0.00 C ATOM 578 CG2 VAL A 47 -1.045 1.346 -7.756 1.00 0.00 C ATOM 0 H VAL A 47 -3.188 2.321 -8.806 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.794 1.696 -11.125 1.00 0.00 H new ATOM 0 HB VAL A 47 0.078 1.285 -9.566 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.086 3.605 -8.557 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.544 3.632 -10.222 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.667 3.713 -8.844 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -0.198 1.667 -7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.958 1.805 -7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.137 0.261 -7.705 1.00 0.00 H new ATOM 588 N SER A 48 -1.028 -0.799 -10.719 1.00 0.00 N ATOM 589 CA SER A 48 -0.981 -2.209 -11.013 1.00 0.00 C ATOM 590 C SER A 48 -0.607 -3.137 -9.865 1.00 0.00 C ATOM 591 O SER A 48 0.022 -2.708 -8.895 1.00 0.00 O ATOM 592 CB SER A 48 -0.181 -2.473 -12.280 1.00 0.00 C ATOM 593 OG SER A 48 1.168 -2.081 -12.194 1.00 0.00 O ATOM 0 H SER A 48 -0.191 -0.305 -11.027 1.00 0.00 H new ATOM 0 HA SER A 48 -2.021 -2.484 -11.189 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.226 -3.537 -12.511 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.650 -1.946 -13.111 1.00 0.00 H new ATOM 0 HG SER A 48 1.621 -2.281 -13.040 1.00 0.00 H new ATOM 599 N GLU A 49 -0.946 -4.425 -9.945 1.00 0.00 N ATOM 600 CA GLU A 49 -0.947 -5.194 -8.720 1.00 0.00 C ATOM 601 C GLU A 49 0.470 -5.673 -8.395 1.00 0.00 C ATOM 602 O GLU A 49 0.788 -6.125 -7.305 1.00 0.00 O ATOM 603 CB GLU A 49 -1.928 -6.342 -8.925 1.00 0.00 C ATOM 604 CG GLU A 49 -3.396 -5.942 -8.817 1.00 0.00 C ATOM 605 CD GLU A 49 -4.197 -7.224 -8.975 1.00 0.00 C ATOM 606 OE1 GLU A 49 -4.397 -7.609 -10.147 1.00 0.00 O ATOM 607 OE2 GLU A 49 -4.405 -7.841 -7.902 1.00 0.00 O ATOM 0 H GLU A 49 -1.207 -4.926 -10.794 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.262 -4.598 -7.863 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.755 -6.781 -9.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.720 -7.118 -8.188 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.601 -5.471 -7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.661 -5.220 -9.589 1.00 0.00 H new ATOM 614 N ASN A 50 1.380 -5.545 -9.376 1.00 0.00 N ATOM 615 CA ASN A 50 2.811 -5.687 -9.136 1.00 0.00 C ATOM 616 C ASN A 50 3.271 -4.651 -8.124 1.00 0.00 C ATOM 617 O ASN A 50 4.006 -5.023 -7.222 1.00 0.00 O ATOM 618 CB ASN A 50 3.456 -5.460 -10.506 1.00 0.00 C ATOM 619 CG ASN A 50 4.910 -5.821 -10.297 1.00 0.00 C ATOM 620 OD1 ASN A 50 5.739 -4.943 -10.069 1.00 0.00 O ATOM 621 ND2 ASN A 50 5.313 -7.061 -10.587 1.00 0.00 N ATOM 0 H ASN A 50 1.139 -5.342 -10.346 1.00 0.00 H new ATOM 0 HA ASN A 50 3.081 -6.659 -8.724 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.996 -6.086 -11.271 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.345 -4.426 -10.832 1.00 0.00 H new ATOM 0 HD21 ASN A 50 6.309 -7.279 -10.619 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.625 -7.790 -10.776 1.00 0.00 H new ATOM 628 N ILE A 51 2.842 -3.396 -8.243 1.00 0.00 N ATOM 629 CA ILE A 51 3.109 -2.282 -7.366 1.00 0.00 C ATOM 630 C ILE A 51 2.483 -2.578 -6.012 1.00 0.00 C ATOM 631 O ILE A 51 3.083 -2.385 -4.959 1.00 0.00 O ATOM 632 CB ILE A 51 2.561 -0.956 -7.886 1.00 0.00 C ATOM 633 CG1 ILE A 51 2.728 -0.678 -9.380 1.00 0.00 C ATOM 634 CG2 ILE A 51 3.140 0.191 -7.052 1.00 0.00 C ATOM 635 CD1 ILE A 51 4.133 -0.541 -9.956 1.00 0.00 C ATOM 0 H ILE A 51 2.249 -3.120 -9.026 1.00 0.00 H new ATOM 0 HA ILE A 51 4.191 -2.171 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 51 1.480 -1.035 -7.768 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.228 -1.481 -9.922 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.189 0.242 -9.605 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.751 1.141 -7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.854 0.062 -6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.227 0.188 -7.134 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.070 -0.346 -11.027 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.648 0.285 -9.466 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.687 -1.465 -9.788 1.00 0.00 H new ATOM 647 N VAL A 52 1.230 -3.059 -6.021 1.00 0.00 N ATOM 648 CA VAL A 52 0.576 -3.279 -4.753 1.00 0.00 C ATOM 649 C VAL A 52 1.199 -4.358 -3.869 1.00 0.00 C ATOM 650 O VAL A 52 1.480 -4.092 -2.695 1.00 0.00 O ATOM 651 CB VAL A 52 -0.943 -3.288 -4.821 1.00 0.00 C ATOM 652 CG1 VAL A 52 -1.428 -2.257 -5.833 1.00 0.00 C ATOM 653 CG2 VAL A 52 -1.622 -4.635 -5.076 1.00 0.00 C ATOM 0 H VAL A 52 0.685 -3.288 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 52 0.800 -2.370 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.249 -3.032 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.517 -2.272 -5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.089 -1.265 -5.533 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.025 -2.496 -6.817 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.703 -4.499 -5.100 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.285 -5.037 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.362 -5.330 -4.278 1.00 0.00 H new ATOM 663 N LYS A 53 1.535 -5.523 -4.405 1.00 0.00 N ATOM 664 CA LYS A 53 2.269 -6.566 -3.707 1.00 0.00 C ATOM 665 C LYS A 53 3.690 -6.219 -3.280 1.00 0.00 C ATOM 666 O LYS A 53 4.025 -6.647 -2.193 1.00 0.00 O ATOM 667 CB LYS A 53 2.318 -7.715 -4.712 1.00 0.00 C ATOM 668 CG LYS A 53 1.002 -8.417 -5.002 1.00 0.00 C ATOM 669 CD LYS A 53 0.999 -9.578 -5.991 1.00 0.00 C ATOM 670 CE LYS A 53 1.032 -9.060 -7.425 1.00 0.00 C ATOM 671 NZ LYS A 53 1.235 -10.174 -8.366 1.00 0.00 N ATOM 0 H LYS A 53 1.297 -5.774 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 53 1.764 -6.778 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.714 -7.330 -5.652 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.028 -8.457 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.608 -8.787 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.300 -7.668 -5.368 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.862 -10.219 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.110 -10.190 -5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.099 -8.546 -7.655 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.834 -8.330 -7.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.255 -9.807 -9.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.137 -10.647 -8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.456 -10.856 -8.270 1.00 0.00 H new ATOM 685 N ARG A 54 4.422 -5.303 -3.937 1.00 0.00 N ATOM 686 CA ARG A 54 5.744 -4.875 -3.530 1.00 0.00 C ATOM 687 C ARG A 54 5.665 -4.287 -2.132 1.00 0.00 C ATOM 688 O ARG A 54 6.431 -4.591 -1.226 1.00 0.00 O ATOM 689 CB ARG A 54 6.205 -3.837 -4.553 1.00 0.00 C ATOM 690 CG ARG A 54 7.723 -3.744 -4.628 1.00 0.00 C ATOM 691 CD ARG A 54 8.383 -2.923 -5.728 1.00 0.00 C ATOM 692 NE ARG A 54 7.799 -3.256 -7.036 1.00 0.00 N ATOM 693 CZ ARG A 54 7.482 -2.323 -7.963 1.00 0.00 C ATOM 694 NH1 ARG A 54 7.613 -1.008 -7.878 1.00 0.00 N ATOM 695 NH2 ARG A 54 7.102 -2.829 -9.146 1.00 0.00 N ATOM 0 H ARG A 54 4.091 -4.838 -4.782 1.00 0.00 H new ATOM 0 HA ARG A 54 6.455 -5.701 -3.498 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.809 -4.095 -5.535 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.795 -2.862 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.071 -3.347 -3.674 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.106 -4.761 -4.709 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.254 -1.860 -5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.456 -3.117 -5.741 1.00 0.00 H new ATOM 0 HE ARG A 54 7.625 -4.237 -7.255 1.00 0.00 H new ATOM 0 HH11 ARG A 54 7.995 -0.587 -7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.332 -0.416 -8.659 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.072 -3.839 -9.283 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.843 -2.203 -9.909 1.00 0.00 H new ATOM 709 N PHE A 55 4.655 -3.454 -1.859 1.00 0.00 N ATOM 710 CA PHE A 55 4.538 -2.780 -0.571 1.00 0.00 C ATOM 711 C PHE A 55 3.903 -3.700 0.462 1.00 0.00 C ATOM 712 O PHE A 55 4.229 -3.626 1.643 1.00 0.00 O ATOM 713 CB PHE A 55 3.806 -1.466 -0.805 1.00 0.00 C ATOM 714 CG PHE A 55 4.300 -0.511 -1.882 1.00 0.00 C ATOM 715 CD1 PHE A 55 5.629 -0.520 -2.338 1.00 0.00 C ATOM 716 CD2 PHE A 55 3.349 0.359 -2.424 1.00 0.00 C ATOM 717 CE1 PHE A 55 5.948 0.318 -3.408 1.00 0.00 C ATOM 718 CE2 PHE A 55 3.700 1.226 -3.460 1.00 0.00 C ATOM 719 CZ PHE A 55 5.013 1.212 -3.929 1.00 0.00 C ATOM 0 H PHE A 55 3.908 -3.233 -2.517 1.00 0.00 H new ATOM 0 HA PHE A 55 5.511 -2.538 -0.145 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.768 -1.707 -1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.805 -0.921 0.139 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.375 -1.151 -1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.340 0.360 -2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.937 0.273 -3.840 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.969 1.895 -3.890 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.310 1.902 -4.705 1.00 0.00 H new ATOM 729 N GLU A 56 3.066 -4.646 0.079 1.00 0.00 N ATOM 730 CA GLU A 56 2.421 -5.606 0.947 1.00 0.00 C ATOM 731 C GLU A 56 3.441 -6.506 1.623 1.00 0.00 C ATOM 732 O GLU A 56 3.248 -6.889 2.769 1.00 0.00 O ATOM 733 CB GLU A 56 1.391 -6.321 0.060 1.00 0.00 C ATOM 734 CG GLU A 56 0.392 -7.145 0.852 1.00 0.00 C ATOM 735 CD GLU A 56 -0.313 -8.217 0.030 1.00 0.00 C ATOM 736 OE1 GLU A 56 0.262 -9.326 -0.008 1.00 0.00 O ATOM 737 OE2 GLU A 56 -1.405 -7.957 -0.506 1.00 0.00 O ATOM 0 H GLU A 56 2.806 -4.770 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 56 1.905 -5.151 1.793 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.854 -5.580 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.914 -6.971 -0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.908 -7.621 1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.357 -6.478 1.280 1.00 0.00 H new ATOM 744 N SER A 57 4.533 -6.814 0.926 1.00 0.00 N ATOM 745 CA SER A 57 5.252 -8.062 1.140 1.00 0.00 C ATOM 746 C SER A 57 6.745 -7.893 1.420 1.00 0.00 C ATOM 747 O SER A 57 7.521 -8.839 1.312 1.00 0.00 O ATOM 748 CB SER A 57 5.058 -8.914 -0.108 1.00 0.00 C ATOM 749 OG SER A 57 5.868 -8.507 -1.191 1.00 0.00 O ATOM 0 H SER A 57 4.937 -6.213 0.208 1.00 0.00 H new ATOM 0 HA SER A 57 4.845 -8.530 2.036 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.279 -9.954 0.132 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.011 -8.872 -0.410 1.00 0.00 H new ATOM 0 HG SER A 57 5.398 -7.822 -1.711 1.00 0.00 H new ATOM 755 N GLY A 58 7.116 -6.701 1.892 1.00 0.00 N ATOM 756 CA GLY A 58 8.415 -6.459 2.486 1.00 0.00 C ATOM 757 C GLY A 58 9.484 -6.236 1.427 1.00 0.00 C ATOM 758 O GLY A 58 10.673 -6.384 1.711 1.00 0.00 O ATOM 0 H GLY A 58 6.514 -5.878 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.361 -5.587 3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.693 -7.307 3.111 1.00 0.00 H new ATOM 762 N LYS A 59 9.095 -5.844 0.203 1.00 0.00 N ATOM 763 CA LYS A 59 9.897 -5.886 -0.991 1.00 0.00 C ATOM 764 C LYS A 59 10.582 -4.572 -1.355 1.00 0.00 C ATOM 765 O LYS A 59 10.842 -4.242 -2.520 1.00 0.00 O ATOM 766 CB LYS A 59 9.049 -6.445 -2.136 1.00 0.00 C ATOM 767 CG LYS A 59 9.255 -7.959 -2.202 1.00 0.00 C ATOM 768 CD LYS A 59 10.471 -8.429 -2.984 1.00 0.00 C ATOM 769 CE LYS A 59 10.461 -9.931 -3.259 1.00 0.00 C ATOM 770 NZ LYS A 59 11.392 -10.535 -4.215 1.00 0.00 N ATOM 0 H LYS A 59 8.161 -5.473 0.030 1.00 0.00 H new ATOM 0 HA LYS A 59 10.737 -6.552 -0.792 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.996 -6.213 -1.975 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.336 -5.983 -3.080 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.332 -8.341 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.366 -8.408 -2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.516 -7.892 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.374 -8.173 -2.429 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.619 -10.430 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.455 -10.187 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.227 -11.561 -4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.242 -10.119 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.369 -10.355 -3.909 1.00 0.00 H new ATOM 784 N LEU A 60 10.813 -3.783 -0.310 1.00 0.00 N ATOM 785 CA LEU A 60 11.457 -2.489 -0.417 1.00 0.00 C ATOM 786 C LEU A 60 12.439 -2.172 0.691 1.00 0.00 C ATOM 787 O LEU A 60 12.263 -2.683 1.802 1.00 0.00 O ATOM 788 CB LEU A 60 10.415 -1.372 -0.421 1.00 0.00 C ATOM 789 CG LEU A 60 10.759 -0.214 -1.365 1.00 0.00 C ATOM 790 CD1 LEU A 60 10.727 -0.552 -2.849 1.00 0.00 C ATOM 791 CD2 LEU A 60 9.808 0.911 -0.951 1.00 0.00 C ATOM 0 H LEU A 60 10.553 -4.032 0.644 1.00 0.00 H new ATOM 0 HA LEU A 60 12.014 -2.545 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.449 -1.789 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.307 -0.984 0.592 1.00 0.00 H new ATOM 0 HG LEU A 60 11.804 0.078 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.985 0.334 -3.430 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.446 -1.344 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.727 -0.888 -3.124 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.984 1.785 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.777 0.579 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.984 1.171 0.093 1.00 0.00 H new ATOM 803 N LYS A 61 13.419 -1.304 0.428 1.00 0.00 N ATOM 804 CA LYS A 61 14.029 -0.425 1.396 1.00 0.00 C ATOM 805 C LYS A 61 13.264 0.885 1.407 1.00 0.00 C ATOM 806 O LYS A 61 13.416 1.666 0.469 1.00 0.00 O ATOM 807 CB LYS A 61 15.500 -0.276 1.025 1.00 0.00 C ATOM 808 CG LYS A 61 16.386 0.574 1.935 1.00 0.00 C ATOM 809 CD LYS A 61 17.595 1.275 1.349 1.00 0.00 C ATOM 810 CE LYS A 61 18.384 1.966 2.447 1.00 0.00 C ATOM 811 NZ LYS A 61 18.914 0.879 3.289 1.00 0.00 N ATOM 0 H LYS A 61 13.816 -1.200 -0.506 1.00 0.00 H new ATOM 0 HA LYS A 61 13.987 -0.819 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.934 -1.274 0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.550 0.146 0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.753 1.337 2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.739 -0.069 2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 61 18.229 0.553 0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 61 17.276 2.006 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 61 19.190 2.570 2.031 1.00 0.00 H new ATOM 0 HE3 LYS A 61 17.749 2.637 3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 19.882 1.113 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 18.310 0.763 4.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 18.925 -0.007 2.745 1.00 0.00 H new ATOM 825 N PRO A 62 12.413 1.065 2.412 1.00 0.00 N ATOM 826 CA PRO A 62 11.619 2.280 2.430 1.00 0.00 C ATOM 827 C PRO A 62 12.396 3.439 3.048 1.00 0.00 C ATOM 828 O PRO A 62 13.458 3.332 3.653 1.00 0.00 O ATOM 829 CB PRO A 62 10.396 1.904 3.260 1.00 0.00 C ATOM 830 CG PRO A 62 10.991 1.013 4.345 1.00 0.00 C ATOM 831 CD PRO A 62 12.087 0.273 3.591 1.00 0.00 C ATOM 0 HA PRO A 62 11.348 2.625 1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.906 2.782 3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 62 9.650 1.376 2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.390 1.595 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.251 0.330 4.761 1.00 0.00 H new ATOM 0 HD2 PRO A 62 12.966 0.143 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.750 -0.723 3.304 1.00 0.00 H new ATOM 839 N THR A 63 11.832 4.643 2.943 1.00 0.00 N ATOM 840 CA THR A 63 12.356 5.879 3.483 1.00 0.00 C ATOM 841 C THR A 63 11.244 6.800 3.989 1.00 0.00 C ATOM 842 O THR A 63 10.095 6.384 3.869 1.00 0.00 O ATOM 843 CB THR A 63 13.375 6.553 2.569 1.00 0.00 C ATOM 844 OG1 THR A 63 12.932 7.079 1.340 1.00 0.00 O ATOM 845 CG2 THR A 63 14.573 5.681 2.135 1.00 0.00 C ATOM 0 H THR A 63 10.949 4.779 2.450 1.00 0.00 H new ATOM 0 HA THR A 63 12.937 5.618 4.368 1.00 0.00 H new ATOM 0 HB THR A 63 13.635 7.349 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.689 7.479 0.864 1.00 0.00 H new ATOM 0 HG21 THR A 63 15.231 6.262 1.489 1.00 0.00 H new ATOM 0 HG22 THR A 63 15.125 5.356 3.017 1.00 0.00 H new ATOM 0 HG23 THR A 63 14.210 4.808 1.592 1.00 0.00 H new ATOM 853 N ILE A 64 11.640 7.964 4.521 1.00 0.00 N ATOM 854 CA ILE A 64 10.815 9.072 4.943 1.00 0.00 C ATOM 855 C ILE A 64 9.887 9.467 3.813 1.00 0.00 C ATOM 856 O ILE A 64 8.685 9.335 4.033 1.00 0.00 O ATOM 857 CB ILE A 64 11.729 10.053 5.687 1.00 0.00 C ATOM 858 CG1 ILE A 64 12.247 9.363 6.941 1.00 0.00 C ATOM 859 CG2 ILE A 64 10.994 11.382 5.887 1.00 0.00 C ATOM 860 CD1 ILE A 64 13.519 10.050 7.451 1.00 0.00 C ATOM 0 H ILE A 64 12.630 8.157 4.674 1.00 0.00 H new ATOM 0 HA ILE A 64 10.054 8.889 5.702 1.00 0.00 H new ATOM 0 HB ILE A 64 12.619 10.326 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 64 11.481 9.383 7.716 1.00 0.00 H new ATOM 0 HG13 ILE A 64 12.455 8.315 6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 64 11.643 12.080 6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 64 10.726 11.799 4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 64 10.090 11.213 6.471 1.00 0.00 H new ATOM 0 HD11 ILE A 64 13.873 9.541 8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 64 14.290 10.006 6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 64 13.300 11.091 7.687 1.00 0.00 H new ATOM 872 N SER A 65 10.423 9.892 2.657 1.00 0.00 N ATOM 873 CA SER A 65 9.611 10.422 1.587 1.00 0.00 C ATOM 874 C SER A 65 8.793 9.271 1.014 1.00 0.00 C ATOM 875 O SER A 65 7.650 9.430 0.583 1.00 0.00 O ATOM 876 CB SER A 65 10.573 10.962 0.531 1.00 0.00 C ATOM 877 OG SER A 65 11.309 9.915 -0.067 1.00 0.00 O ATOM 0 H SER A 65 11.422 9.872 2.454 1.00 0.00 H new ATOM 0 HA SER A 65 8.938 11.211 1.922 1.00 0.00 H new ATOM 0 HB2 SER A 65 10.014 11.501 -0.234 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.257 11.677 0.989 1.00 0.00 H new ATOM 0 HG SER A 65 11.917 10.286 -0.741 1.00 0.00 H new ATOM 883 N GLN A 66 9.228 8.000 0.989 1.00 0.00 N ATOM 884 CA GLN A 66 8.515 6.890 0.418 1.00 0.00 C ATOM 885 C GLN A 66 7.421 6.453 1.384 1.00 0.00 C ATOM 886 O GLN A 66 6.360 6.141 0.852 1.00 0.00 O ATOM 887 CB GLN A 66 9.541 5.767 0.208 1.00 0.00 C ATOM 888 CG GLN A 66 10.520 6.015 -0.935 1.00 0.00 C ATOM 889 CD GLN A 66 11.391 4.810 -1.271 1.00 0.00 C ATOM 890 OE1 GLN A 66 10.973 3.926 -2.002 1.00 0.00 O ATOM 891 NE2 GLN A 66 12.620 4.776 -0.740 1.00 0.00 N ATOM 0 H GLN A 66 10.126 7.727 1.388 1.00 0.00 H new ATOM 0 HA GLN A 66 8.043 7.151 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 66 10.105 5.630 1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.008 4.835 0.018 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.960 6.306 -1.824 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.163 6.855 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.935 5.533 -0.133 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.241 3.993 -0.942 1.00 0.00 H new ATOM 900 N ALA A 67 7.594 6.455 2.709 1.00 0.00 N ATOM 901 CA ALA A 67 6.536 6.258 3.675 1.00 0.00 C ATOM 902 C ALA A 67 5.559 7.415 3.514 1.00 0.00 C ATOM 903 O ALA A 67 4.377 7.081 3.472 1.00 0.00 O ATOM 904 CB ALA A 67 7.126 6.066 5.064 1.00 0.00 C ATOM 0 H ALA A 67 8.507 6.599 3.141 1.00 0.00 H new ATOM 0 HA ALA A 67 5.968 5.343 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.321 5.918 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.778 5.193 5.065 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.702 6.949 5.340 1.00 0.00 H new ATOM 910 N ARG A 68 6.009 8.671 3.409 1.00 0.00 N ATOM 911 CA ARG A 68 5.148 9.829 3.285 1.00 0.00 C ATOM 912 C ARG A 68 4.145 9.687 2.161 1.00 0.00 C ATOM 913 O ARG A 68 3.136 10.401 2.117 1.00 0.00 O ATOM 914 CB ARG A 68 5.903 11.149 3.163 1.00 0.00 C ATOM 915 CG ARG A 68 5.046 12.418 3.266 1.00 0.00 C ATOM 916 CD ARG A 68 4.203 12.525 4.525 1.00 0.00 C ATOM 917 NE ARG A 68 3.272 13.652 4.673 1.00 0.00 N ATOM 918 CZ ARG A 68 2.149 13.594 3.921 1.00 0.00 C ATOM 919 NH1 ARG A 68 1.845 12.691 2.977 1.00 0.00 N ATOM 920 NH2 ARG A 68 1.306 14.609 4.080 1.00 0.00 N ATOM 0 H ARG A 68 7.002 8.904 3.409 1.00 0.00 H new ATOM 0 HA ARG A 68 4.602 9.865 4.228 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.665 11.184 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.424 11.161 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.702 13.287 3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 68 4.386 12.463 2.400 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.622 11.607 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.885 12.550 5.375 1.00 0.00 H new ATOM 0 HE ARG A 68 3.461 14.431 5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.500 11.940 2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.959 12.756 2.476 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.529 15.359 4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.436 14.638 3.548 1.00 0.00 H new ATOM 934 N GLN A 69 4.460 8.916 1.114 1.00 0.00 N ATOM 935 CA GLN A 69 3.643 8.816 -0.065 1.00 0.00 C ATOM 936 C GLN A 69 2.677 7.628 0.055 1.00 0.00 C ATOM 937 O GLN A 69 1.679 7.713 -0.653 1.00 0.00 O ATOM 938 CB GLN A 69 4.660 8.584 -1.187 1.00 0.00 C ATOM 939 CG GLN A 69 5.429 9.851 -1.557 1.00 0.00 C ATOM 940 CD GLN A 69 6.591 9.642 -2.527 1.00 0.00 C ATOM 941 OE1 GLN A 69 6.521 9.322 -3.720 1.00 0.00 O ATOM 942 NE2 GLN A 69 7.798 9.859 -2.008 1.00 0.00 N ATOM 0 H GLN A 69 5.303 8.343 1.077 1.00 0.00 H new ATOM 0 HA GLN A 69 3.023 9.696 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.366 7.813 -0.878 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.142 8.208 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.733 10.565 -1.997 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.815 10.303 -0.643 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.891 10.124 -1.028 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.629 9.760 -2.591 1.00 0.00 H new ATOM 951 N LEU A 70 3.022 6.566 0.775 1.00 0.00 N ATOM 952 CA LEU A 70 2.251 5.343 0.992 1.00 0.00 C ATOM 953 C LEU A 70 0.917 5.521 1.690 1.00 0.00 C ATOM 954 O LEU A 70 -0.061 5.066 1.074 1.00 0.00 O ATOM 955 CB LEU A 70 3.196 4.362 1.685 1.00 0.00 C ATOM 956 CG LEU A 70 2.709 2.918 1.780 1.00 0.00 C ATOM 957 CD1 LEU A 70 2.753 2.257 0.411 1.00 0.00 C ATOM 958 CD2 LEU A 70 3.658 2.247 2.770 1.00 0.00 C ATOM 0 H LEU A 70 3.918 6.534 1.261 1.00 0.00 H new ATOM 0 HA LEU A 70 1.917 4.951 0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.148 4.369 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.390 4.726 2.694 1.00 0.00 H new ATOM 0 HG LEU A 70 1.675 2.842 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.403 1.228 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.111 2.805 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.777 2.264 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.375 1.202 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.679 2.304 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.599 2.756 3.732 1.00 0.00 H new ATOM 970 N GLU A 71 0.861 6.170 2.858 1.00 0.00 N ATOM 971 CA GLU A 71 -0.325 6.805 3.407 1.00 0.00 C ATOM 972 C GLU A 71 -1.050 7.752 2.460 1.00 0.00 C ATOM 973 O GLU A 71 -2.148 8.241 2.712 1.00 0.00 O ATOM 974 CB GLU A 71 0.202 7.593 4.608 1.00 0.00 C ATOM 975 CG GLU A 71 1.136 8.734 4.244 1.00 0.00 C ATOM 976 CD GLU A 71 1.526 9.478 5.512 1.00 0.00 C ATOM 977 OE1 GLU A 71 2.474 9.083 6.225 1.00 0.00 O ATOM 978 OE2 GLU A 71 0.869 10.519 5.758 1.00 0.00 O ATOM 0 H GLU A 71 1.676 6.267 3.464 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.070 6.044 3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.645 7.995 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.726 6.909 5.276 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.025 8.348 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.647 9.412 3.545 1.00 0.00 H new ATOM 985 N LYS A 72 -0.366 8.280 1.453 1.00 0.00 N ATOM 986 CA LYS A 72 -0.940 9.297 0.587 1.00 0.00 C ATOM 987 C LYS A 72 -1.685 8.630 -0.551 1.00 0.00 C ATOM 988 O LYS A 72 -2.770 9.147 -0.817 1.00 0.00 O ATOM 989 CB LYS A 72 0.066 10.389 0.221 1.00 0.00 C ATOM 990 CG LYS A 72 -0.745 11.503 -0.428 1.00 0.00 C ATOM 991 CD LYS A 72 0.224 12.660 -0.640 1.00 0.00 C ATOM 992 CE LYS A 72 -0.480 13.793 -1.398 1.00 0.00 C ATOM 993 NZ LYS A 72 0.618 14.655 -1.853 1.00 0.00 N ATOM 0 H LYS A 72 0.591 8.018 1.217 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.697 9.872 1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.589 10.751 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.824 10.008 -0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.172 11.174 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.577 11.803 0.210 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.587 13.024 0.321 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.094 12.320 -1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.061 13.411 -2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.171 14.335 -0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.230 15.461 -2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.148 15.006 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.255 14.110 -2.468 1.00 0.00 H new ATOM 1007 N ILE A 73 -1.206 7.524 -1.116 1.00 0.00 N ATOM 1008 CA ILE A 73 -1.939 6.865 -2.179 1.00 0.00 C ATOM 1009 C ILE A 73 -3.121 6.167 -1.528 1.00 0.00 C ATOM 1010 O ILE A 73 -4.210 6.131 -2.100 1.00 0.00 O ATOM 1011 CB ILE A 73 -1.009 6.003 -3.026 1.00 0.00 C ATOM 1012 CG1 ILE A 73 -0.337 4.869 -2.247 1.00 0.00 C ATOM 1013 CG2 ILE A 73 0.065 6.845 -3.731 1.00 0.00 C ATOM 1014 CD1 ILE A 73 0.460 3.861 -3.068 1.00 0.00 C ATOM 0 H ILE A 73 -0.327 7.076 -0.857 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.349 7.557 -2.915 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.659 5.544 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 73 0.331 5.311 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.108 4.329 -1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.707 6.194 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -0.415 7.574 -4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.666 7.366 -2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 73 0.887 3.108 -2.405 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.199 3.378 -3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.262 4.376 -3.597 1.00 0.00 H new ATOM 1026 N LEU A 74 -3.055 5.712 -0.271 1.00 0.00 N ATOM 1027 CA LEU A 74 -4.174 5.130 0.426 1.00 0.00 C ATOM 1028 C LEU A 74 -5.072 6.274 0.878 1.00 0.00 C ATOM 1029 O LEU A 74 -6.261 6.199 1.163 1.00 0.00 O ATOM 1030 CB LEU A 74 -3.656 4.203 1.526 1.00 0.00 C ATOM 1031 CG LEU A 74 -4.774 3.409 2.196 1.00 0.00 C ATOM 1032 CD1 LEU A 74 -5.409 2.430 1.223 1.00 0.00 C ATOM 1033 CD2 LEU A 74 -4.067 2.529 3.233 1.00 0.00 C ATOM 0 H LEU A 74 -2.202 5.745 0.287 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.791 4.485 -0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.928 3.512 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.133 4.794 2.278 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.530 4.089 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.202 1.878 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.828 2.977 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.653 1.732 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.805 1.924 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.354 1.875 2.730 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.538 3.161 3.947 1.00 0.00 H new ATOM 1045 N GLY A 75 -4.443 7.443 1.035 1.00 0.00 N ATOM 1046 CA GLY A 75 -4.990 8.617 1.676 1.00 0.00 C ATOM 1047 C GLY A 75 -5.334 8.503 3.154 1.00 0.00 C ATOM 1048 O GLY A 75 -5.815 9.502 3.685 1.00 0.00 O ATOM 0 H GLY A 75 -3.492 7.591 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.275 9.431 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.894 8.905 1.140 1.00 0.00 H new ATOM 1052 N ILE A 76 -4.970 7.423 3.849 1.00 0.00 N ATOM 1053 CA ILE A 76 -5.113 7.132 5.261 1.00 0.00 C ATOM 1054 C ILE A 76 -4.041 6.194 5.756 1.00 0.00 C ATOM 1055 O ILE A 76 -3.215 5.738 4.937 1.00 0.00 O ATOM 1056 CB ILE A 76 -6.514 6.567 5.530 1.00 0.00 C ATOM 1057 CG1 ILE A 76 -6.612 5.205 4.858 1.00 0.00 C ATOM 1058 CG2 ILE A 76 -7.616 7.541 5.139 1.00 0.00 C ATOM 1059 CD1 ILE A 76 -7.753 4.549 5.629 1.00 0.00 C ATOM 0 H ILE A 76 -4.515 6.646 3.370 1.00 0.00 H new ATOM 0 HA ILE A 76 -4.991 8.062 5.816 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.667 6.428 6.600 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -6.835 5.290 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.684 4.640 4.945 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.588 7.094 5.349 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.508 8.462 5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.542 7.766 4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.928 3.547 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.489 4.485 6.685 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.658 5.146 5.517 1.00 0.00 H new ATOM 1071 N LYS A 77 -4.011 5.878 7.044 1.00 0.00 N ATOM 1072 CA LYS A 77 -2.942 5.235 7.798 1.00 0.00 C ATOM 1073 C LYS A 77 -3.504 4.911 9.172 1.00 0.00 C ATOM 1074 O LYS A 77 -4.500 5.458 9.635 1.00 0.00 O ATOM 1075 CB LYS A 77 -1.645 6.042 7.746 1.00 0.00 C ATOM 1076 CG LYS A 77 -1.722 7.482 8.242 1.00 0.00 C ATOM 1077 CD LYS A 77 -0.315 8.069 8.240 1.00 0.00 C ATOM 1078 CE LYS A 77 -0.410 9.593 8.433 1.00 0.00 C ATOM 1079 NZ LYS A 77 0.909 10.206 8.612 1.00 0.00 N ATOM 0 H LYS A 77 -4.810 6.085 7.644 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.624 4.290 7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.893 5.518 8.335 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.291 6.054 6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.379 8.069 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.145 7.515 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.280 7.624 9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.188 7.839 7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.903 10.038 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.032 9.811 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.864 10.909 9.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.603 9.471 8.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.197 10.674 7.729 1.00 0.00 H new ATOM 1093 N LEU A 78 -2.702 4.107 9.873 1.00 0.00 N ATOM 1094 CA LEU A 78 -2.944 3.630 11.218 1.00 0.00 C ATOM 1095 C LEU A 78 -1.697 3.183 11.986 1.00 0.00 C ATOM 1096 O LEU A 78 -0.781 2.636 11.380 1.00 0.00 O ATOM 1097 CB LEU A 78 -4.035 2.567 11.316 1.00 0.00 C ATOM 1098 CG LEU A 78 -5.413 3.220 11.383 1.00 0.00 C ATOM 1099 CD1 LEU A 78 -6.364 2.118 11.822 1.00 0.00 C ATOM 1100 CD2 LEU A 78 -5.680 4.339 12.394 1.00 0.00 C ATOM 0 H LEU A 78 -1.823 3.758 9.490 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.308 4.530 11.714 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.982 1.903 10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.874 1.953 12.202 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.525 3.678 10.400 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.376 2.517 11.892 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.343 1.308 11.093 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.056 1.738 12.796 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.711 4.680 12.296 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.517 3.963 13.404 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.003 5.171 12.203 1.00 0.00 H new