USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.031 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -4.72! K(o=-4.7!,f=-3) USER MOD Single : A 33 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= 0.0434 (180deg=0.0287) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.3) USER MOD Single : A 42 CYS SG : rot -36:sc= -1.24 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-5.2!) USER MOD Single : A 50 ASN : amide:sc= 0.0825 X(o=0.082,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -150:sc= 0.0575 USER MOD Single : A 61 THR OG1 : rot 72:sc= 1.06 USER MOD Single : A 64 SER OG : rot -66:sc= 0.302 USER MOD Single : A 65 GLN : amide:sc= -0.184 K(o=-0.18,f=-0.75) USER MOD Single : A 67 TYR OH : rot 180:sc= 0.0409 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= -1.12 (180deg=-1.14) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N ARG A 16 6.344 12.494 -0.111 1.00 0.00 N ATOM 168 CA ARG A 16 6.701 11.122 -0.454 1.00 0.00 C ATOM 169 C ARG A 16 6.937 10.292 0.804 1.00 0.00 C ATOM 170 O ARG A 16 7.779 9.393 0.819 1.00 0.00 O ATOM 171 CB ARG A 16 7.952 11.103 -1.334 1.00 0.00 C ATOM 172 CG ARG A 16 7.744 11.731 -2.702 1.00 0.00 C ATOM 173 CD ARG A 16 7.226 10.715 -3.708 1.00 0.00 C ATOM 174 NE ARG A 16 7.197 11.254 -5.065 1.00 0.00 N ATOM 175 CZ ARG A 16 6.327 12.172 -5.473 1.00 0.00 C ATOM 176 NH1 ARG A 16 5.421 12.651 -4.632 1.00 0.00 N ATOM 177 NH2 ARG A 16 6.364 12.614 -6.723 1.00 0.00 N ATOM 0 HA ARG A 16 5.870 10.684 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.756 11.630 -0.820 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.279 10.071 -1.463 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.038 12.557 -2.621 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.685 12.150 -3.058 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.858 9.827 -3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.223 10.400 -3.421 1.00 0.00 H new ATOM 0 HE ARG A 16 7.882 10.907 -5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.391 12.315 -3.669 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.754 13.356 -4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.061 12.249 -7.372 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.696 13.319 -7.035 1.00 0.00 H new ATOM 191 N THR A 17 6.190 10.599 1.860 1.00 0.00 N ATOM 192 CA THR A 17 6.319 9.883 3.123 1.00 0.00 C ATOM 193 C THR A 17 4.980 9.307 3.567 1.00 0.00 C ATOM 194 O THR A 17 4.932 8.322 4.303 1.00 0.00 O ATOM 195 CB THR A 17 6.865 10.799 4.234 1.00 0.00 C ATOM 196 OG1 THR A 17 8.280 10.963 4.084 1.00 0.00 O ATOM 197 CG2 THR A 17 6.559 10.224 5.609 1.00 0.00 C ATOM 0 H THR A 17 5.489 11.340 1.865 1.00 0.00 H new ATOM 0 HA THR A 17 7.024 9.069 2.955 1.00 0.00 H new ATOM 0 HB THR A 17 6.376 11.769 4.146 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.619 11.548 4.793 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.954 10.888 6.377 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.480 10.129 5.732 1.00 0.00 H new ATOM 0 HG23 THR A 17 7.023 9.242 5.704 1.00 0.00 H new ATOM 205 N ALA A 18 3.895 9.926 3.116 1.00 0.00 N ATOM 206 CA ALA A 18 2.554 9.472 3.465 1.00 0.00 C ATOM 207 C ALA A 18 2.406 7.972 3.235 1.00 0.00 C ATOM 208 O ALA A 18 2.125 7.216 4.166 1.00 0.00 O ATOM 209 CB ALA A 18 1.512 10.237 2.663 1.00 0.00 C ATOM 0 H ALA A 18 3.918 10.744 2.507 1.00 0.00 H new ATOM 0 HA ALA A 18 2.395 9.668 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.516 9.888 2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.595 11.302 2.881 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.678 10.071 1.599 1.00 0.00 H new ATOM 215 N LEU A 19 2.595 7.548 1.991 1.00 0.00 N ATOM 216 CA LEU A 19 2.481 6.137 1.638 1.00 0.00 C ATOM 217 C LEU A 19 3.301 5.270 2.588 1.00 0.00 C ATOM 218 O LEU A 19 3.075 4.064 2.696 1.00 0.00 O ATOM 219 CB LEU A 19 2.944 5.912 0.197 1.00 0.00 C ATOM 220 CG LEU A 19 2.434 6.917 -0.836 1.00 0.00 C ATOM 221 CD1 LEU A 19 2.750 6.440 -2.245 1.00 0.00 C ATOM 222 CD2 LEU A 19 0.938 7.140 -0.669 1.00 0.00 C ATOM 0 H LEU A 19 2.828 8.161 1.209 1.00 0.00 H new ATOM 0 HA LEU A 19 1.433 5.850 1.726 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.034 5.925 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.633 4.914 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 19 2.943 7.867 -0.673 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.380 7.168 -2.967 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.829 6.332 -2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.268 5.478 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.592 7.858 -1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.412 6.195 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.737 7.527 0.330 1.00 0.00 H new ATOM 234 N TYR A 20 4.251 5.892 3.277 1.00 0.00 N ATOM 235 CA TYR A 20 5.105 5.177 4.219 1.00 0.00 C ATOM 236 C TYR A 20 4.550 5.272 5.637 1.00 0.00 C ATOM 237 O TYR A 20 4.667 4.333 6.425 1.00 0.00 O ATOM 238 CB TYR A 20 6.527 5.739 4.177 1.00 0.00 C ATOM 239 CG TYR A 20 7.107 5.817 2.783 1.00 0.00 C ATOM 240 CD1 TYR A 20 6.673 6.782 1.882 1.00 0.00 C ATOM 241 CD2 TYR A 20 8.089 4.926 2.367 1.00 0.00 C ATOM 242 CE1 TYR A 20 7.200 6.856 0.607 1.00 0.00 C ATOM 243 CE2 TYR A 20 8.622 4.994 1.094 1.00 0.00 C ATOM 244 CZ TYR A 20 8.174 5.961 0.218 1.00 0.00 C ATOM 245 OH TYR A 20 8.702 6.033 -1.051 1.00 0.00 O ATOM 0 H TYR A 20 4.449 6.890 3.201 1.00 0.00 H new ATOM 0 HA TYR A 20 5.127 4.127 3.927 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.528 6.736 4.618 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.173 5.116 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.911 7.486 2.183 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.442 4.168 3.050 1.00 0.00 H new ATOM 0 HE1 TYR A 20 6.851 7.611 -0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 20 9.385 4.294 0.787 1.00 0.00 H new ATOM 0 HH TYR A 20 9.377 5.332 -1.165 1.00 0.00 H new ATOM 255 N ASP A 21 3.945 6.411 5.953 1.00 0.00 N ATOM 256 CA ASP A 21 3.369 6.630 7.275 1.00 0.00 C ATOM 257 C ASP A 21 2.143 5.747 7.487 1.00 0.00 C ATOM 258 O ASP A 21 1.826 5.366 8.614 1.00 0.00 O ATOM 259 CB ASP A 21 2.991 8.101 7.454 1.00 0.00 C ATOM 260 CG ASP A 21 1.847 8.290 8.430 1.00 0.00 C ATOM 261 OD1 ASP A 21 2.045 8.028 9.634 1.00 0.00 O ATOM 262 OD2 ASP A 21 0.752 8.700 7.990 1.00 0.00 O ATOM 0 H ASP A 21 3.840 7.197 5.312 1.00 0.00 H new ATOM 0 HA ASP A 21 4.119 6.363 8.019 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.860 8.656 7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.714 8.522 6.488 1.00 0.00 H new ATOM 267 N LEU A 22 1.456 5.427 6.396 1.00 0.00 N ATOM 268 CA LEU A 22 0.263 4.589 6.461 1.00 0.00 C ATOM 269 C LEU A 22 0.600 3.202 6.997 1.00 0.00 C ATOM 270 O LEU A 22 -0.063 2.696 7.904 1.00 0.00 O ATOM 271 CB LEU A 22 -0.378 4.472 5.077 1.00 0.00 C ATOM 272 CG LEU A 22 -1.418 5.537 4.727 1.00 0.00 C ATOM 273 CD1 LEU A 22 -0.754 6.736 4.069 1.00 0.00 C ATOM 274 CD2 LEU A 22 -2.492 4.955 3.820 1.00 0.00 C ATOM 0 H LEU A 22 1.704 5.735 5.456 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.445 5.060 7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.413 4.506 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.850 3.492 4.999 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.892 5.872 5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.510 7.483 3.827 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.023 7.168 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.253 6.418 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.224 5.727 3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.034 4.592 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.989 4.129 4.328 1.00 0.00 H new ATOM 286 N LEU A 23 1.637 2.592 6.434 1.00 0.00 N ATOM 287 CA LEU A 23 2.065 1.263 6.857 1.00 0.00 C ATOM 288 C LEU A 23 2.800 1.326 8.192 1.00 0.00 C ATOM 289 O LEU A 23 2.535 0.536 9.096 1.00 0.00 O ATOM 290 CB LEU A 23 2.968 0.634 5.794 1.00 0.00 C ATOM 291 CG LEU A 23 2.262 -0.187 4.714 1.00 0.00 C ATOM 292 CD1 LEU A 23 1.199 0.648 4.018 1.00 0.00 C ATOM 293 CD2 LEU A 23 3.270 -0.719 3.705 1.00 0.00 C ATOM 0 H LEU A 23 2.197 2.996 5.684 1.00 0.00 H new ATOM 0 HA LEU A 23 1.176 0.645 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.531 1.430 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.692 -0.008 6.295 1.00 0.00 H new ATOM 0 HG LEU A 23 1.773 -1.036 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.708 0.047 3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.461 0.980 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.665 1.517 3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.750 -1.301 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.788 0.116 3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.995 -1.354 4.215 1.00 0.00 H new ATOM 305 N GLY A 24 3.724 2.275 8.308 1.00 0.00 N ATOM 306 CA GLY A 24 4.482 2.426 9.537 1.00 0.00 C ATOM 307 C GLY A 24 5.960 2.154 9.343 1.00 0.00 C ATOM 308 O GLY A 24 6.719 2.089 10.311 1.00 0.00 O ATOM 0 H GLY A 24 3.961 2.942 7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.349 3.438 9.920 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.086 1.745 10.290 1.00 0.00 H new ATOM 312 N VAL A 25 6.372 1.992 8.090 1.00 0.00 N ATOM 313 CA VAL A 25 7.769 1.724 7.773 1.00 0.00 C ATOM 314 C VAL A 25 8.500 3.005 7.386 1.00 0.00 C ATOM 315 O VAL A 25 7.912 3.950 6.861 1.00 0.00 O ATOM 316 CB VAL A 25 7.899 0.706 6.624 1.00 0.00 C ATOM 317 CG1 VAL A 25 7.252 -0.617 7.007 1.00 0.00 C ATOM 318 CG2 VAL A 25 7.283 1.260 5.349 1.00 0.00 C ATOM 0 H VAL A 25 5.757 2.042 7.277 1.00 0.00 H new ATOM 0 HA VAL A 25 8.223 1.307 8.672 1.00 0.00 H new ATOM 0 HB VAL A 25 8.958 0.526 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.354 -1.324 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.743 -1.019 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.195 -0.457 7.220 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.384 0.528 4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.227 1.471 5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 25 7.796 2.179 5.067 1.00 0.00 H new ATOM 328 N PRO A 26 9.815 3.039 7.651 1.00 0.00 N ATOM 329 CA PRO A 26 10.655 4.198 7.338 1.00 0.00 C ATOM 330 C PRO A 26 10.854 4.383 5.838 1.00 0.00 C ATOM 331 O PRO A 26 10.588 3.474 5.051 1.00 0.00 O ATOM 332 CB PRO A 26 11.987 3.864 8.017 1.00 0.00 C ATOM 333 CG PRO A 26 12.011 2.377 8.091 1.00 0.00 C ATOM 334 CD PRO A 26 10.581 1.948 8.276 1.00 0.00 C ATOM 0 HA PRO A 26 10.207 5.130 7.682 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.831 4.246 7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.049 4.311 9.009 1.00 0.00 H new ATOM 0 HG2 PRO A 26 12.433 1.948 7.182 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.631 2.038 8.921 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.383 0.991 7.794 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.329 1.833 9.330 1.00 0.00 H new ATOM 342 N SER A 27 11.322 5.564 5.448 1.00 0.00 N ATOM 343 CA SER A 27 11.553 5.869 4.041 1.00 0.00 C ATOM 344 C SER A 27 12.650 4.979 3.465 1.00 0.00 C ATOM 345 O SER A 27 12.777 4.836 2.249 1.00 0.00 O ATOM 346 CB SER A 27 11.932 7.341 3.871 1.00 0.00 C ATOM 347 OG SER A 27 12.135 7.661 2.506 1.00 0.00 O ATOM 0 H SER A 27 11.549 6.326 6.087 1.00 0.00 H new ATOM 0 HA SER A 27 10.629 5.675 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.144 7.972 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 27 12.839 7.554 4.436 1.00 0.00 H new ATOM 0 HG SER A 27 12.375 8.608 2.424 1.00 0.00 H new ATOM 353 N THR A 28 13.444 4.382 4.349 1.00 0.00 N ATOM 354 CA THR A 28 14.532 3.507 3.931 1.00 0.00 C ATOM 355 C THR A 28 14.284 2.070 4.377 1.00 0.00 C ATOM 356 O THR A 28 15.225 1.303 4.582 1.00 0.00 O ATOM 357 CB THR A 28 15.884 3.982 4.496 1.00 0.00 C ATOM 358 OG1 THR A 28 15.925 3.769 5.912 1.00 0.00 O ATOM 359 CG2 THR A 28 16.109 5.456 4.193 1.00 0.00 C ATOM 0 H THR A 28 13.353 4.489 5.359 1.00 0.00 H new ATOM 0 HA THR A 28 14.568 3.546 2.842 1.00 0.00 H new ATOM 0 HB THR A 28 16.676 3.404 4.019 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.788 4.072 6.264 1.00 0.00 H new ATOM 0 HG21 THR A 28 17.070 5.769 4.602 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.106 5.610 3.114 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.313 6.046 4.646 1.00 0.00 H new ATOM 367 N ALA A 29 13.013 1.712 4.525 1.00 0.00 N ATOM 368 CA ALA A 29 12.643 0.366 4.944 1.00 0.00 C ATOM 369 C ALA A 29 13.007 -0.661 3.877 1.00 0.00 C ATOM 370 O ALA A 29 13.624 -0.328 2.865 1.00 0.00 O ATOM 371 CB ALA A 29 11.155 0.301 5.256 1.00 0.00 C ATOM 0 H ALA A 29 12.222 2.335 4.361 1.00 0.00 H new ATOM 0 HA ALA A 29 13.204 0.126 5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.892 -0.710 5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.921 1.000 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.585 0.566 4.366 1.00 0.00 H new ATOM 377 N THR A 30 12.621 -1.912 4.110 1.00 0.00 N ATOM 378 CA THR A 30 12.909 -2.988 3.170 1.00 0.00 C ATOM 379 C THR A 30 11.637 -3.731 2.780 1.00 0.00 C ATOM 380 O THR A 30 10.660 -3.743 3.528 1.00 0.00 O ATOM 381 CB THR A 30 13.917 -3.992 3.758 1.00 0.00 C ATOM 382 OG1 THR A 30 13.353 -4.639 4.904 1.00 0.00 O ATOM 383 CG2 THR A 30 15.211 -3.294 4.149 1.00 0.00 C ATOM 0 H THR A 30 12.108 -2.205 4.942 1.00 0.00 H new ATOM 0 HA THR A 30 13.343 -2.526 2.283 1.00 0.00 H new ATOM 0 HB THR A 30 14.141 -4.737 2.995 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.000 -5.277 5.271 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.908 -4.024 4.562 1.00 0.00 H new ATOM 0 HG22 THR A 30 15.653 -2.828 3.269 1.00 0.00 H new ATOM 0 HG23 THR A 30 15.000 -2.530 4.897 1.00 0.00 H new ATOM 391 N GLN A 31 11.656 -4.352 1.605 1.00 0.00 N ATOM 392 CA GLN A 31 10.503 -5.098 1.116 1.00 0.00 C ATOM 393 C GLN A 31 9.871 -5.919 2.236 1.00 0.00 C ATOM 394 O GLN A 31 8.651 -6.066 2.298 1.00 0.00 O ATOM 395 CB GLN A 31 10.914 -6.017 -0.036 1.00 0.00 C ATOM 396 CG GLN A 31 9.784 -6.319 -1.006 1.00 0.00 C ATOM 397 CD GLN A 31 8.564 -6.900 -0.319 1.00 0.00 C ATOM 398 OE1 GLN A 31 7.433 -6.495 -0.588 1.00 0.00 O ATOM 399 NE2 GLN A 31 8.788 -7.857 0.575 1.00 0.00 N ATOM 0 H GLN A 31 12.457 -4.353 0.974 1.00 0.00 H new ATOM 0 HA GLN A 31 9.766 -4.381 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 31 11.737 -5.556 -0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.290 -6.954 0.374 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.502 -5.403 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 31 10.138 -7.019 -1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.742 -8.162 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.006 -8.286 1.069 1.00 0.00 H new ATOM 408 N ALA A 32 10.710 -6.451 3.119 1.00 0.00 N ATOM 409 CA ALA A 32 10.234 -7.255 4.237 1.00 0.00 C ATOM 410 C ALA A 32 9.317 -6.443 5.146 1.00 0.00 C ATOM 411 O ALA A 32 8.281 -6.933 5.595 1.00 0.00 O ATOM 412 CB ALA A 32 11.410 -7.807 5.029 1.00 0.00 C ATOM 0 H ALA A 32 11.723 -6.339 3.081 1.00 0.00 H new ATOM 0 HA ALA A 32 9.658 -8.088 3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 32 11.039 -8.406 5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 32 12.026 -8.430 4.380 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.009 -6.982 5.414 1.00 0.00 H new ATOM 418 N GLN A 33 9.705 -5.200 5.412 1.00 0.00 N ATOM 419 CA GLN A 33 8.917 -4.321 6.268 1.00 0.00 C ATOM 420 C GLN A 33 7.671 -3.826 5.541 1.00 0.00 C ATOM 421 O GLN A 33 6.547 -4.055 5.988 1.00 0.00 O ATOM 422 CB GLN A 33 9.761 -3.131 6.728 1.00 0.00 C ATOM 423 CG GLN A 33 10.908 -3.517 7.647 1.00 0.00 C ATOM 424 CD GLN A 33 11.585 -2.314 8.274 1.00 0.00 C ATOM 425 OE1 GLN A 33 11.218 -1.880 9.366 1.00 0.00 O ATOM 426 NE2 GLN A 33 12.580 -1.768 7.584 1.00 0.00 N ATOM 0 H GLN A 33 10.560 -4.779 5.047 1.00 0.00 H new ATOM 0 HA GLN A 33 8.602 -4.893 7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.164 -2.622 5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.118 -2.418 7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.533 -4.170 8.435 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.644 -4.090 7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.851 -2.161 6.682 1.00 0.00 H new ATOM 0 HE22 GLN A 33 13.073 -0.956 7.956 1.00 0.00 H new ATOM 435 N ILE A 34 7.879 -3.145 4.419 1.00 0.00 N ATOM 436 CA ILE A 34 6.772 -2.618 3.630 1.00 0.00 C ATOM 437 C ILE A 34 5.657 -3.649 3.490 1.00 0.00 C ATOM 438 O ILE A 34 4.500 -3.300 3.255 1.00 0.00 O ATOM 439 CB ILE A 34 7.237 -2.187 2.226 1.00 0.00 C ATOM 440 CG1 ILE A 34 8.209 -1.009 2.326 1.00 0.00 C ATOM 441 CG2 ILE A 34 6.040 -1.821 1.362 1.00 0.00 C ATOM 442 CD1 ILE A 34 9.048 -0.811 1.083 1.00 0.00 C ATOM 0 H ILE A 34 8.803 -2.945 4.036 1.00 0.00 H new ATOM 0 HA ILE A 34 6.392 -1.746 4.162 1.00 0.00 H new ATOM 0 HB ILE A 34 7.756 -3.023 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.644 -0.098 2.522 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.869 -1.165 3.179 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.384 -1.518 0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.381 -2.684 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.496 -0.998 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 34 9.713 0.041 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.640 -1.707 0.897 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.396 -0.624 0.230 1.00 0.00 H new ATOM 454 N LYS A 35 6.013 -4.920 3.637 1.00 0.00 N ATOM 455 CA LYS A 35 5.043 -6.004 3.531 1.00 0.00 C ATOM 456 C LYS A 35 4.460 -6.349 4.898 1.00 0.00 C ATOM 457 O LYS A 35 3.269 -6.159 5.141 1.00 0.00 O ATOM 458 CB LYS A 35 5.697 -7.243 2.916 1.00 0.00 C ATOM 459 CG LYS A 35 4.754 -8.427 2.785 1.00 0.00 C ATOM 460 CD LYS A 35 5.494 -9.684 2.361 1.00 0.00 C ATOM 461 CE LYS A 35 4.592 -10.623 1.574 1.00 0.00 C ATOM 462 NZ LYS A 35 4.580 -10.294 0.122 1.00 0.00 N ATOM 0 H LYS A 35 6.967 -5.226 3.830 1.00 0.00 H new ATOM 0 HA LYS A 35 4.232 -5.670 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.085 -6.987 1.930 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.550 -7.535 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.254 -8.602 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.978 -8.197 2.055 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.357 -9.412 1.753 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.875 -10.198 3.243 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.930 -11.650 1.711 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.577 -10.566 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.110 -11.059 -0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.065 -9.403 -0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.557 -10.190 -0.219 1.00 0.00 H new ATOM 476 N ALA A 36 5.308 -6.855 5.787 1.00 0.00 N ATOM 477 CA ALA A 36 4.877 -7.223 7.130 1.00 0.00 C ATOM 478 C ALA A 36 3.969 -6.154 7.727 1.00 0.00 C ATOM 479 O ALA A 36 3.010 -6.465 8.433 1.00 0.00 O ATOM 480 CB ALA A 36 6.085 -7.453 8.027 1.00 0.00 C ATOM 0 H ALA A 36 6.297 -7.019 5.602 1.00 0.00 H new ATOM 0 HA ALA A 36 4.307 -8.150 7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.749 -7.727 9.027 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.695 -8.257 7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.677 -6.540 8.081 1.00 0.00 H new ATOM 486 N ALA A 37 4.277 -4.894 7.439 1.00 0.00 N ATOM 487 CA ALA A 37 3.487 -3.779 7.947 1.00 0.00 C ATOM 488 C ALA A 37 2.097 -3.760 7.320 1.00 0.00 C ATOM 489 O ALA A 37 1.089 -3.877 8.017 1.00 0.00 O ATOM 490 CB ALA A 37 4.204 -2.462 7.687 1.00 0.00 C ATOM 0 H ALA A 37 5.068 -4.620 6.856 1.00 0.00 H new ATOM 0 HA ALA A 37 3.370 -3.910 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.603 -1.638 8.072 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.172 -2.470 8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 37 4.352 -2.334 6.615 1.00 0.00 H new ATOM 496 N TYR A 38 2.051 -3.612 6.000 1.00 0.00 N ATOM 497 CA TYR A 38 0.784 -3.575 5.280 1.00 0.00 C ATOM 498 C TYR A 38 -0.166 -4.653 5.792 1.00 0.00 C ATOM 499 O TYR A 38 -1.382 -4.462 5.821 1.00 0.00 O ATOM 500 CB TYR A 38 1.022 -3.759 3.780 1.00 0.00 C ATOM 501 CG TYR A 38 -0.176 -4.311 3.041 1.00 0.00 C ATOM 502 CD1 TYR A 38 -1.304 -3.529 2.823 1.00 0.00 C ATOM 503 CD2 TYR A 38 -0.181 -5.615 2.560 1.00 0.00 C ATOM 504 CE1 TYR A 38 -2.401 -4.029 2.149 1.00 0.00 C ATOM 505 CE2 TYR A 38 -1.273 -6.123 1.884 1.00 0.00 C ATOM 506 CZ TYR A 38 -2.381 -5.326 1.681 1.00 0.00 C ATOM 507 OH TYR A 38 -3.472 -5.828 1.009 1.00 0.00 O ATOM 0 H TYR A 38 2.876 -3.516 5.408 1.00 0.00 H new ATOM 0 HA TYR A 38 0.325 -2.602 5.452 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.297 -2.799 3.344 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.869 -4.429 3.634 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.323 -2.512 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 38 0.684 -6.242 2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.270 -3.408 1.989 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -1.260 -7.138 1.516 1.00 0.00 H new ATOM 0 HH TYR A 38 -3.296 -6.755 0.746 1.00 0.00 H new ATOM 517 N TYR A 39 0.398 -5.786 6.196 1.00 0.00 N ATOM 518 CA TYR A 39 -0.398 -6.896 6.706 1.00 0.00 C ATOM 519 C TYR A 39 -1.196 -6.475 7.936 1.00 0.00 C ATOM 520 O TYR A 39 -2.354 -6.859 8.100 1.00 0.00 O ATOM 521 CB TYR A 39 0.505 -8.081 7.051 1.00 0.00 C ATOM 522 CG TYR A 39 0.721 -9.035 5.897 1.00 0.00 C ATOM 523 CD1 TYR A 39 1.295 -8.600 4.709 1.00 0.00 C ATOM 524 CD2 TYR A 39 0.352 -10.370 5.996 1.00 0.00 C ATOM 525 CE1 TYR A 39 1.494 -9.467 3.652 1.00 0.00 C ATOM 526 CE2 TYR A 39 0.548 -11.245 4.945 1.00 0.00 C ATOM 527 CZ TYR A 39 1.119 -10.788 3.775 1.00 0.00 C ATOM 528 OH TYR A 39 1.316 -11.656 2.725 1.00 0.00 O ATOM 0 H TYR A 39 1.403 -5.960 6.180 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.099 -7.196 5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 39 1.472 -7.705 7.386 1.00 0.00 H new ATOM 0 HB3 TYR A 39 0.069 -8.628 7.887 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.591 -7.566 4.610 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -0.096 -10.730 6.910 1.00 0.00 H new ATOM 0 HE1 TYR A 39 1.941 -9.112 2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.256 -12.281 5.039 1.00 0.00 H new ATOM 0 HH TYR A 39 0.999 -12.549 2.975 1.00 0.00 H new ATOM 538 N ARG A 40 -0.567 -5.682 8.797 1.00 0.00 N ATOM 539 CA ARG A 40 -1.217 -5.207 10.013 1.00 0.00 C ATOM 540 C ARG A 40 -2.471 -4.403 9.682 1.00 0.00 C ATOM 541 O ARG A 40 -3.539 -4.641 10.245 1.00 0.00 O ATOM 542 CB ARG A 40 -0.250 -4.351 10.833 1.00 0.00 C ATOM 543 CG ARG A 40 0.777 -5.161 11.605 1.00 0.00 C ATOM 544 CD ARG A 40 1.206 -4.449 12.879 1.00 0.00 C ATOM 545 NE ARG A 40 2.300 -5.143 13.552 1.00 0.00 N ATOM 546 CZ ARG A 40 2.890 -4.691 14.653 1.00 0.00 C ATOM 547 NH1 ARG A 40 2.492 -3.552 15.202 1.00 0.00 N ATOM 548 NH2 ARG A 40 3.880 -5.379 15.207 1.00 0.00 N ATOM 0 H ARG A 40 0.391 -5.355 8.675 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.510 -6.077 10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.269 -3.664 10.165 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.822 -3.743 11.534 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.359 -6.136 11.855 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.649 -5.340 10.976 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.515 -3.432 12.639 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.355 -4.372 13.556 1.00 0.00 H new ATOM 0 HE ARG A 40 2.629 -6.023 13.155 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.731 -3.020 14.779 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.947 -3.207 16.047 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.189 -6.256 14.787 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.332 -5.031 16.052 1.00 0.00 H new ATOM 562 N GLN A 41 -2.331 -3.450 8.766 1.00 0.00 N ATOM 563 CA GLN A 41 -3.452 -2.610 8.361 1.00 0.00 C ATOM 564 C GLN A 41 -4.540 -3.442 7.688 1.00 0.00 C ATOM 565 O GLN A 41 -5.699 -3.416 8.103 1.00 0.00 O ATOM 566 CB GLN A 41 -2.975 -1.510 7.412 1.00 0.00 C ATOM 567 CG GLN A 41 -1.634 -0.910 7.801 1.00 0.00 C ATOM 568 CD GLN A 41 -1.548 -0.580 9.278 1.00 0.00 C ATOM 569 OE1 GLN A 41 -2.483 -0.025 9.857 1.00 0.00 O ATOM 570 NE2 GLN A 41 -0.424 -0.922 9.897 1.00 0.00 N ATOM 0 H GLN A 41 -1.453 -3.240 8.291 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.872 -2.151 9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.902 -1.918 6.404 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.723 -0.718 7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.839 -1.609 7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.464 -0.004 7.220 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.325 -1.380 9.378 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.310 -0.726 10.892 1.00 0.00 H new ATOM 579 N CYS A 42 -4.159 -4.177 6.650 1.00 0.00 N ATOM 580 CA CYS A 42 -5.102 -5.015 5.919 1.00 0.00 C ATOM 581 C CYS A 42 -5.907 -5.889 6.876 1.00 0.00 C ATOM 582 O CYS A 42 -7.106 -6.097 6.685 1.00 0.00 O ATOM 583 CB CYS A 42 -4.361 -5.892 4.909 1.00 0.00 C ATOM 584 SG CYS A 42 -3.659 -7.401 5.616 1.00 0.00 S ATOM 0 H CYS A 42 -3.203 -4.210 6.295 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.792 -4.362 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.048 -6.164 4.108 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -3.559 -5.308 4.457 1.00 0.00 H new ATOM 0 HG CYS A 42 -3.223 -7.156 6.816 1.00 0.00 H new ATOM 590 N PHE A 43 -5.239 -6.401 7.904 1.00 0.00 N ATOM 591 CA PHE A 43 -5.891 -7.256 8.890 1.00 0.00 C ATOM 592 C PHE A 43 -6.789 -6.436 9.812 1.00 0.00 C ATOM 593 O PHE A 43 -7.870 -6.879 10.201 1.00 0.00 O ATOM 594 CB PHE A 43 -4.846 -8.009 9.714 1.00 0.00 C ATOM 595 CG PHE A 43 -5.377 -8.541 11.015 1.00 0.00 C ATOM 596 CD1 PHE A 43 -5.741 -7.678 12.035 1.00 0.00 C ATOM 597 CD2 PHE A 43 -5.512 -9.906 11.216 1.00 0.00 C ATOM 598 CE1 PHE A 43 -6.231 -8.164 13.233 1.00 0.00 C ATOM 599 CE2 PHE A 43 -6.002 -10.398 12.411 1.00 0.00 C ATOM 600 CZ PHE A 43 -6.361 -9.526 13.421 1.00 0.00 C ATOM 0 H PHE A 43 -4.247 -6.239 8.076 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.510 -7.977 8.356 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.458 -8.839 9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.007 -7.343 9.918 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.641 -6.612 11.893 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.231 -10.592 10.431 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.512 -7.480 14.020 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.104 -11.463 12.555 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.743 -9.909 14.356 1.00 0.00 H new ATOM 610 N LEU A 44 -6.332 -5.237 10.159 1.00 0.00 N ATOM 611 CA LEU A 44 -7.092 -4.354 11.037 1.00 0.00 C ATOM 612 C LEU A 44 -8.502 -4.133 10.499 1.00 0.00 C ATOM 613 O LEU A 44 -9.488 -4.452 11.165 1.00 0.00 O ATOM 614 CB LEU A 44 -6.375 -3.011 11.186 1.00 0.00 C ATOM 615 CG LEU A 44 -5.373 -2.908 12.337 1.00 0.00 C ATOM 616 CD1 LEU A 44 -4.374 -1.792 12.077 1.00 0.00 C ATOM 617 CD2 LEU A 44 -6.097 -2.682 13.656 1.00 0.00 C ATOM 0 H LEU A 44 -5.440 -4.855 9.846 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.166 -4.830 12.015 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.851 -2.796 10.255 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.127 -2.233 11.315 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.826 -3.849 12.402 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.669 -1.734 12.907 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.832 -1.997 11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.904 -0.844 11.984 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.368 -2.611 14.464 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.670 -1.757 13.602 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.772 -3.516 13.848 1.00 0.00 H new ATOM 629 N TYR A 45 -8.590 -3.589 9.291 1.00 0.00 N ATOM 630 CA TYR A 45 -9.880 -3.326 8.663 1.00 0.00 C ATOM 631 C TYR A 45 -10.256 -4.448 7.700 1.00 0.00 C ATOM 632 O TYR A 45 -10.334 -4.241 6.489 1.00 0.00 O ATOM 633 CB TYR A 45 -9.846 -1.990 7.920 1.00 0.00 C ATOM 634 CG TYR A 45 -9.418 -0.826 8.784 1.00 0.00 C ATOM 635 CD1 TYR A 45 -8.079 -0.623 9.097 1.00 0.00 C ATOM 636 CD2 TYR A 45 -10.352 0.071 9.288 1.00 0.00 C ATOM 637 CE1 TYR A 45 -7.684 0.439 9.888 1.00 0.00 C ATOM 638 CE2 TYR A 45 -9.965 1.136 10.079 1.00 0.00 C ATOM 639 CZ TYR A 45 -8.630 1.316 10.376 1.00 0.00 C ATOM 640 OH TYR A 45 -8.241 2.375 11.162 1.00 0.00 O ATOM 0 H TYR A 45 -7.784 -3.321 8.727 1.00 0.00 H new ATOM 0 HA TYR A 45 -10.635 -3.278 9.448 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.165 -2.072 7.073 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -10.836 -1.785 7.514 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.335 -1.307 8.716 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.398 -0.067 9.058 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.640 0.582 10.123 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.704 1.824 10.463 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.029 2.896 11.422 1.00 0.00 H new ATOM 650 N HIS A 46 -10.489 -5.636 8.248 1.00 0.00 N ATOM 651 CA HIS A 46 -10.858 -6.792 7.439 1.00 0.00 C ATOM 652 C HIS A 46 -12.148 -6.526 6.668 1.00 0.00 C ATOM 653 O HIS A 46 -13.088 -5.914 7.176 1.00 0.00 O ATOM 654 CB HIS A 46 -11.025 -8.028 8.323 1.00 0.00 C ATOM 655 CG HIS A 46 -10.694 -9.312 7.626 1.00 0.00 C ATOM 656 ND1 HIS A 46 -11.652 -10.217 7.222 1.00 0.00 N ATOM 657 CD2 HIS A 46 -9.502 -9.840 7.261 1.00 0.00 C ATOM 658 CE1 HIS A 46 -11.064 -11.247 6.639 1.00 0.00 C ATOM 659 NE2 HIS A 46 -9.759 -11.042 6.650 1.00 0.00 N ATOM 0 H HIS A 46 -10.429 -5.824 9.249 1.00 0.00 H new ATOM 0 HA HIS A 46 -10.057 -6.973 6.722 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -10.387 -7.926 9.201 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.054 -8.073 8.680 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -8.530 -9.398 7.421 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -11.565 -12.109 6.224 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -9.056 -11.674 6.267 1.00 0.00 H new ATOM 667 N PRO A 47 -12.195 -6.995 5.412 1.00 0.00 N ATOM 668 CA PRO A 47 -13.363 -6.819 4.545 1.00 0.00 C ATOM 669 C PRO A 47 -14.556 -7.650 5.004 1.00 0.00 C ATOM 670 O PRO A 47 -15.682 -7.442 4.551 1.00 0.00 O ATOM 671 CB PRO A 47 -12.868 -7.303 3.180 1.00 0.00 C ATOM 672 CG PRO A 47 -11.765 -8.254 3.493 1.00 0.00 C ATOM 673 CD PRO A 47 -11.111 -7.733 4.742 1.00 0.00 C ATOM 0 HA PRO A 47 -13.718 -5.788 4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -13.665 -7.792 2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -12.513 -6.472 2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -12.151 -9.262 3.646 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.051 -8.307 2.671 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.732 -8.543 5.365 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -10.265 -7.085 4.512 1.00 0.00 H new ATOM 681 N ASP A 48 -14.303 -8.592 5.906 1.00 0.00 N ATOM 682 CA ASP A 48 -15.357 -9.454 6.428 1.00 0.00 C ATOM 683 C ASP A 48 -15.856 -8.946 7.778 1.00 0.00 C ATOM 684 O ASP A 48 -17.035 -9.079 8.104 1.00 0.00 O ATOM 685 CB ASP A 48 -14.849 -10.890 6.566 1.00 0.00 C ATOM 686 CG ASP A 48 -14.240 -11.414 5.281 1.00 0.00 C ATOM 687 OD1 ASP A 48 -14.405 -10.754 4.234 1.00 0.00 O ATOM 688 OD2 ASP A 48 -13.597 -12.484 5.322 1.00 0.00 O ATOM 0 H ASP A 48 -13.377 -8.778 6.291 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.189 -9.437 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.105 -10.934 7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.674 -11.537 6.864 1.00 0.00 H new ATOM 693 N ARG A 49 -14.950 -8.366 8.557 1.00 0.00 N ATOM 694 CA ARG A 49 -15.297 -7.840 9.872 1.00 0.00 C ATOM 695 C ARG A 49 -16.330 -6.723 9.756 1.00 0.00 C ATOM 696 O ARG A 49 -17.320 -6.701 10.485 1.00 0.00 O ATOM 697 CB ARG A 49 -14.047 -7.321 10.584 1.00 0.00 C ATOM 698 CG ARG A 49 -13.204 -8.419 11.213 1.00 0.00 C ATOM 699 CD ARG A 49 -12.199 -7.851 12.203 1.00 0.00 C ATOM 700 NE ARG A 49 -12.749 -7.763 13.553 1.00 0.00 N ATOM 701 CZ ARG A 49 -12.849 -8.802 14.375 1.00 0.00 C ATOM 702 NH1 ARG A 49 -12.436 -10.001 13.987 1.00 0.00 N ATOM 703 NH2 ARG A 49 -13.361 -8.642 15.589 1.00 0.00 N ATOM 0 H ARG A 49 -13.970 -8.248 8.301 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.729 -8.652 10.457 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.435 -6.769 9.870 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.347 -6.616 11.359 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.853 -9.132 11.721 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.677 -8.967 10.432 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.308 -8.479 12.215 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.886 -6.860 11.874 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.074 -6.854 13.883 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.040 -10.127 13.055 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.514 -10.797 14.620 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.678 -7.721 15.891 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.437 -9.440 16.219 1.00 0.00 H new ATOM 717 N ASN A 50 -16.090 -5.797 8.833 1.00 0.00 N ATOM 718 CA ASN A 50 -16.999 -4.676 8.622 1.00 0.00 C ATOM 719 C ASN A 50 -17.972 -4.971 7.484 1.00 0.00 C ATOM 720 O ASN A 50 -17.636 -4.816 6.310 1.00 0.00 O ATOM 721 CB ASN A 50 -16.208 -3.402 8.314 1.00 0.00 C ATOM 722 CG ASN A 50 -15.154 -3.108 9.364 1.00 0.00 C ATOM 723 OD1 ASN A 50 -15.441 -2.497 10.393 1.00 0.00 O ATOM 724 ND2 ASN A 50 -13.926 -3.543 9.107 1.00 0.00 N ATOM 0 H ASN A 50 -15.275 -5.801 8.220 1.00 0.00 H new ATOM 0 HA ASN A 50 -17.572 -4.528 9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -15.729 -3.502 7.340 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -16.895 -2.558 8.246 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -13.175 -3.375 9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -13.734 -4.045 8.240 1.00 0.00 H new ATOM 731 N SER A 51 -19.179 -5.397 7.841 1.00 0.00 N ATOM 732 CA SER A 51 -20.200 -5.717 6.851 1.00 0.00 C ATOM 733 C SER A 51 -20.346 -4.588 5.836 1.00 0.00 C ATOM 734 O SER A 51 -19.903 -4.703 4.694 1.00 0.00 O ATOM 735 CB SER A 51 -21.543 -5.977 7.537 1.00 0.00 C ATOM 736 OG SER A 51 -21.580 -7.273 8.111 1.00 0.00 O ATOM 0 H SER A 51 -19.474 -5.529 8.809 1.00 0.00 H new ATOM 0 HA SER A 51 -19.888 -6.619 6.324 1.00 0.00 H new ATOM 0 HB2 SER A 51 -21.711 -5.228 8.311 1.00 0.00 H new ATOM 0 HB3 SER A 51 -22.351 -5.873 6.813 1.00 0.00 H new ATOM 0 HG SER A 51 -22.447 -7.414 8.545 1.00 0.00 H new ATOM 742 N GLY A 52 -20.971 -3.494 6.262 1.00 0.00 N ATOM 743 CA GLY A 52 -21.165 -2.359 5.379 1.00 0.00 C ATOM 744 C GLY A 52 -20.697 -1.057 5.997 1.00 0.00 C ATOM 745 O GLY A 52 -21.504 -0.273 6.495 1.00 0.00 O ATOM 0 H GLY A 52 -21.346 -3.374 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -20.625 -2.530 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -22.222 -2.277 5.124 1.00 0.00 H new ATOM 749 N SER A 53 -19.388 -0.827 5.968 1.00 0.00 N ATOM 750 CA SER A 53 -18.813 0.387 6.536 1.00 0.00 C ATOM 751 C SER A 53 -19.007 1.572 5.594 1.00 0.00 C ATOM 752 O SER A 53 -19.185 1.398 4.389 1.00 0.00 O ATOM 753 CB SER A 53 -17.323 0.186 6.820 1.00 0.00 C ATOM 754 OG SER A 53 -16.708 -0.584 5.801 1.00 0.00 O ATOM 0 H SER A 53 -18.706 -1.465 5.558 1.00 0.00 H new ATOM 0 HA SER A 53 -19.329 0.601 7.472 1.00 0.00 H new ATOM 0 HB2 SER A 53 -16.830 1.155 6.895 1.00 0.00 H new ATOM 0 HB3 SER A 53 -17.197 -0.311 7.782 1.00 0.00 H new ATOM 0 HG SER A 53 -15.961 -1.092 6.181 1.00 0.00 H new ATOM 760 N ALA A 54 -18.970 2.777 6.154 1.00 0.00 N ATOM 761 CA ALA A 54 -19.139 3.991 5.365 1.00 0.00 C ATOM 762 C ALA A 54 -17.832 4.770 5.268 1.00 0.00 C ATOM 763 O ALA A 54 -17.480 5.280 4.205 1.00 0.00 O ATOM 764 CB ALA A 54 -20.232 4.862 5.966 1.00 0.00 C ATOM 0 H ALA A 54 -18.825 2.938 7.151 1.00 0.00 H new ATOM 0 HA ALA A 54 -19.433 3.701 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -20.348 5.765 5.367 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -21.172 4.311 5.977 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -19.960 5.135 6.986 1.00 0.00 H new ATOM 770 N GLU A 55 -17.117 4.858 6.386 1.00 0.00 N ATOM 771 CA GLU A 55 -15.849 5.576 6.426 1.00 0.00 C ATOM 772 C GLU A 55 -14.672 4.606 6.392 1.00 0.00 C ATOM 773 O GLU A 55 -13.636 4.890 5.792 1.00 0.00 O ATOM 774 CB GLU A 55 -15.770 6.447 7.681 1.00 0.00 C ATOM 775 CG GLU A 55 -16.608 7.712 7.598 1.00 0.00 C ATOM 776 CD GLU A 55 -16.354 8.498 6.326 1.00 0.00 C ATOM 777 OE1 GLU A 55 -15.176 8.617 5.929 1.00 0.00 O ATOM 778 OE2 GLU A 55 -17.332 8.993 5.729 1.00 0.00 O ATOM 0 H GLU A 55 -17.394 4.441 7.275 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.796 6.215 5.545 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -16.096 5.861 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.730 6.721 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.664 7.448 7.653 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.392 8.343 8.460 1.00 0.00 H new ATOM 785 N ALA A 56 -14.840 3.458 7.042 1.00 0.00 N ATOM 786 CA ALA A 56 -13.793 2.445 7.085 1.00 0.00 C ATOM 787 C ALA A 56 -13.245 2.162 5.691 1.00 0.00 C ATOM 788 O ALA A 56 -12.052 1.912 5.522 1.00 0.00 O ATOM 789 CB ALA A 56 -14.323 1.166 7.716 1.00 0.00 C ATOM 0 H ALA A 56 -15.691 3.207 7.545 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.976 2.828 7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.531 0.418 7.742 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.659 1.374 8.732 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -15.159 0.789 7.127 1.00 0.00 H new ATOM 795 N ALA A 57 -14.123 2.203 4.695 1.00 0.00 N ATOM 796 CA ALA A 57 -13.726 1.952 3.315 1.00 0.00 C ATOM 797 C ALA A 57 -12.616 2.904 2.882 1.00 0.00 C ATOM 798 O ALA A 57 -11.541 2.470 2.469 1.00 0.00 O ATOM 799 CB ALA A 57 -14.926 2.081 2.388 1.00 0.00 C ATOM 0 H ALA A 57 -15.115 2.408 4.818 1.00 0.00 H new ATOM 0 HA ALA A 57 -13.341 0.934 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.614 1.891 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.688 1.357 2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.336 3.088 2.462 1.00 0.00 H new ATOM 805 N GLU A 58 -12.885 4.202 2.977 1.00 0.00 N ATOM 806 CA GLU A 58 -11.908 5.214 2.593 1.00 0.00 C ATOM 807 C GLU A 58 -10.514 4.840 3.087 1.00 0.00 C ATOM 808 O GLU A 58 -9.596 4.636 2.292 1.00 0.00 O ATOM 809 CB GLU A 58 -12.310 6.580 3.153 1.00 0.00 C ATOM 810 CG GLU A 58 -13.644 7.085 2.630 1.00 0.00 C ATOM 811 CD GLU A 58 -13.575 7.519 1.179 1.00 0.00 C ATOM 812 OE1 GLU A 58 -13.415 6.641 0.304 1.00 0.00 O ATOM 813 OE2 GLU A 58 -13.681 8.735 0.917 1.00 0.00 O ATOM 0 H GLU A 58 -13.771 4.577 3.316 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.886 5.267 1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.356 6.518 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.535 7.306 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.392 6.299 2.735 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.975 7.925 3.241 1.00 0.00 H new ATOM 820 N ARG A 59 -10.363 4.752 4.404 1.00 0.00 N ATOM 821 CA ARG A 59 -9.081 4.404 5.005 1.00 0.00 C ATOM 822 C ARG A 59 -8.466 3.192 4.310 1.00 0.00 C ATOM 823 O ARG A 59 -7.470 3.313 3.596 1.00 0.00 O ATOM 824 CB ARG A 59 -9.254 4.115 6.497 1.00 0.00 C ATOM 825 CG ARG A 59 -7.957 4.188 7.286 1.00 0.00 C ATOM 826 CD ARG A 59 -7.707 5.589 7.821 1.00 0.00 C ATOM 827 NE ARG A 59 -6.938 6.403 6.884 1.00 0.00 N ATOM 828 CZ ARG A 59 -5.669 6.162 6.571 1.00 0.00 C ATOM 829 NH1 ARG A 59 -5.032 5.136 7.117 1.00 0.00 N ATOM 830 NH2 ARG A 59 -5.036 6.949 5.709 1.00 0.00 N ATOM 0 H ARG A 59 -11.113 4.917 5.076 1.00 0.00 H new ATOM 0 HA ARG A 59 -8.409 5.253 4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -9.965 4.827 6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.688 3.122 6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.995 3.482 8.116 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.125 3.887 6.649 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.661 6.075 8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.173 5.525 8.769 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.400 7.200 6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.516 4.529 7.779 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.058 4.953 6.875 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -5.524 7.739 5.287 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.062 6.764 5.469 1.00 0.00 H new ATOM 844 N PHE A 60 -9.065 2.026 4.525 1.00 0.00 N ATOM 845 CA PHE A 60 -8.576 0.792 3.921 1.00 0.00 C ATOM 846 C PHE A 60 -8.126 1.032 2.483 1.00 0.00 C ATOM 847 O PHE A 60 -7.057 0.581 2.070 1.00 0.00 O ATOM 848 CB PHE A 60 -9.663 -0.284 3.955 1.00 0.00 C ATOM 849 CG PHE A 60 -9.235 -1.588 3.346 1.00 0.00 C ATOM 850 CD1 PHE A 60 -8.058 -2.201 3.746 1.00 0.00 C ATOM 851 CD2 PHE A 60 -10.009 -2.201 2.374 1.00 0.00 C ATOM 852 CE1 PHE A 60 -7.661 -3.402 3.188 1.00 0.00 C ATOM 853 CE2 PHE A 60 -9.617 -3.402 1.813 1.00 0.00 C ATOM 854 CZ PHE A 60 -8.442 -4.003 2.220 1.00 0.00 C ATOM 0 H PHE A 60 -9.890 1.909 5.113 1.00 0.00 H new ATOM 0 HA PHE A 60 -7.718 0.449 4.499 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -9.961 -0.456 4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -10.543 0.083 3.427 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -7.444 -1.735 4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -10.928 -1.735 2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -6.742 -3.870 3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -10.229 -3.870 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 60 -8.134 -4.941 1.782 1.00 0.00 H new ATOM 864 N THR A 61 -8.951 1.745 1.722 1.00 0.00 N ATOM 865 CA THR A 61 -8.641 2.044 0.330 1.00 0.00 C ATOM 866 C THR A 61 -7.316 2.788 0.209 1.00 0.00 C ATOM 867 O THR A 61 -6.549 2.562 -0.727 1.00 0.00 O ATOM 868 CB THR A 61 -9.752 2.886 -0.325 1.00 0.00 C ATOM 869 OG1 THR A 61 -11.002 2.192 -0.251 1.00 0.00 O ATOM 870 CG2 THR A 61 -9.418 3.187 -1.778 1.00 0.00 C ATOM 0 H THR A 61 -9.839 2.126 2.047 1.00 0.00 H new ATOM 0 HA THR A 61 -8.566 1.088 -0.189 1.00 0.00 H new ATOM 0 HB THR A 61 -9.829 3.829 0.216 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.328 2.203 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.217 3.783 -2.219 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.481 3.742 -1.829 1.00 0.00 H new ATOM 0 HG23 THR A 61 -9.316 2.252 -2.329 1.00 0.00 H new ATOM 878 N ARG A 62 -7.053 3.676 1.162 1.00 0.00 N ATOM 879 CA ARG A 62 -5.820 4.455 1.162 1.00 0.00 C ATOM 880 C ARG A 62 -4.611 3.558 1.409 1.00 0.00 C ATOM 881 O ARG A 62 -3.587 3.680 0.737 1.00 0.00 O ATOM 882 CB ARG A 62 -5.883 5.550 2.228 1.00 0.00 C ATOM 883 CG ARG A 62 -6.625 6.798 1.776 1.00 0.00 C ATOM 884 CD ARG A 62 -6.083 8.045 2.458 1.00 0.00 C ATOM 885 NE ARG A 62 -6.807 9.247 2.054 1.00 0.00 N ATOM 886 CZ ARG A 62 -8.055 9.512 2.424 1.00 0.00 C ATOM 887 NH1 ARG A 62 -8.714 8.665 3.202 1.00 0.00 N ATOM 888 NH2 ARG A 62 -8.647 10.628 2.016 1.00 0.00 N ATOM 0 H ARG A 62 -7.677 3.874 1.944 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.713 4.919 0.181 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.369 5.151 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.868 5.825 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.535 6.905 0.695 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.687 6.692 1.999 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.152 7.926 3.539 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.026 8.160 2.217 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.328 9.920 1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.263 7.807 3.518 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.672 8.872 3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.144 11.283 1.418 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.605 10.830 2.301 1.00 0.00 H new ATOM 902 N ILE A 63 -4.737 2.658 2.379 1.00 0.00 N ATOM 903 CA ILE A 63 -3.655 1.741 2.714 1.00 0.00 C ATOM 904 C ILE A 63 -3.173 0.984 1.481 1.00 0.00 C ATOM 905 O ILE A 63 -2.013 1.096 1.086 1.00 0.00 O ATOM 906 CB ILE A 63 -4.090 0.726 3.788 1.00 0.00 C ATOM 907 CG1 ILE A 63 -4.033 1.364 5.177 1.00 0.00 C ATOM 908 CG2 ILE A 63 -3.210 -0.514 3.732 1.00 0.00 C ATOM 909 CD1 ILE A 63 -5.336 2.004 5.602 1.00 0.00 C ATOM 0 H ILE A 63 -5.577 2.545 2.946 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.839 2.347 3.107 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.119 0.427 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.757 0.603 5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.246 2.118 5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.530 -1.222 4.497 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.297 -0.978 2.749 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.172 -0.232 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -5.222 2.436 6.596 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.604 2.788 4.894 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.122 1.249 5.622 1.00 0.00 H new ATOM 921 N SER A 64 -4.073 0.215 0.876 1.00 0.00 N ATOM 922 CA SER A 64 -3.740 -0.562 -0.312 1.00 0.00 C ATOM 923 C SER A 64 -2.824 0.230 -1.240 1.00 0.00 C ATOM 924 O SER A 64 -1.792 -0.271 -1.685 1.00 0.00 O ATOM 925 CB SER A 64 -5.014 -0.966 -1.057 1.00 0.00 C ATOM 926 OG SER A 64 -5.498 0.100 -1.854 1.00 0.00 O ATOM 0 H SER A 64 -5.038 0.114 1.189 1.00 0.00 H new ATOM 0 HA SER A 64 -3.214 -1.462 0.008 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.812 -1.832 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.779 -1.265 -0.340 1.00 0.00 H new ATOM 0 HG SER A 64 -5.790 0.835 -1.275 1.00 0.00 H new ATOM 932 N GLN A 65 -3.211 1.469 -1.526 1.00 0.00 N ATOM 933 CA GLN A 65 -2.425 2.330 -2.402 1.00 0.00 C ATOM 934 C GLN A 65 -0.953 2.314 -2.004 1.00 0.00 C ATOM 935 O GLN A 65 -0.071 2.222 -2.857 1.00 0.00 O ATOM 936 CB GLN A 65 -2.961 3.762 -2.358 1.00 0.00 C ATOM 937 CG GLN A 65 -4.478 3.847 -2.419 1.00 0.00 C ATOM 938 CD GLN A 65 -4.966 5.124 -3.072 1.00 0.00 C ATOM 939 OE1 GLN A 65 -4.389 5.592 -4.054 1.00 0.00 O ATOM 940 NE2 GLN A 65 -6.034 5.696 -2.530 1.00 0.00 N ATOM 0 H GLN A 65 -4.063 1.899 -1.165 1.00 0.00 H new ATOM 0 HA GLN A 65 -2.512 1.947 -3.419 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -2.615 4.242 -1.443 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -2.540 4.324 -3.192 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.864 2.991 -2.972 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -4.882 3.783 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -6.481 5.274 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.408 6.558 -2.927 1.00 0.00 H new ATOM 949 N ALA A 66 -0.696 2.403 -0.703 1.00 0.00 N ATOM 950 CA ALA A 66 0.670 2.397 -0.193 1.00 0.00 C ATOM 951 C ALA A 66 1.386 1.100 -0.556 1.00 0.00 C ATOM 952 O ALA A 66 2.605 1.079 -0.724 1.00 0.00 O ATOM 953 CB ALA A 66 0.670 2.597 1.316 1.00 0.00 C ATOM 0 H ALA A 66 -1.415 2.480 0.016 1.00 0.00 H new ATOM 0 HA ALA A 66 1.209 3.222 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.696 2.590 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.204 3.553 1.556 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.110 1.791 1.790 1.00 0.00 H new ATOM 959 N TYR A 67 0.620 0.021 -0.676 1.00 0.00 N ATOM 960 CA TYR A 67 1.183 -1.281 -1.016 1.00 0.00 C ATOM 961 C TYR A 67 1.283 -1.452 -2.529 1.00 0.00 C ATOM 962 O TYR A 67 1.386 -2.570 -3.034 1.00 0.00 O ATOM 963 CB TYR A 67 0.328 -2.401 -0.421 1.00 0.00 C ATOM 964 CG TYR A 67 1.023 -3.743 -0.391 1.00 0.00 C ATOM 965 CD1 TYR A 67 2.341 -3.854 0.034 1.00 0.00 C ATOM 966 CD2 TYR A 67 0.363 -4.899 -0.788 1.00 0.00 C ATOM 967 CE1 TYR A 67 2.981 -5.078 0.062 1.00 0.00 C ATOM 968 CE2 TYR A 67 0.994 -6.127 -0.762 1.00 0.00 C ATOM 969 CZ TYR A 67 2.303 -6.212 -0.336 1.00 0.00 C ATOM 970 OH TYR A 67 2.936 -7.433 -0.309 1.00 0.00 O ATOM 0 H TYR A 67 -0.391 0.022 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 67 2.187 -1.336 -0.594 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.041 -2.127 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.592 -2.491 -0.999 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.874 -2.969 0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.662 -4.836 -1.123 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.007 -5.147 0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.465 -7.016 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 67 2.319 -8.128 -0.619 1.00 0.00 H new ATOM 980 N VAL A 68 1.253 -0.334 -3.247 1.00 0.00 N ATOM 981 CA VAL A 68 1.342 -0.358 -4.703 1.00 0.00 C ATOM 982 C VAL A 68 2.576 0.394 -5.190 1.00 0.00 C ATOM 983 O VAL A 68 3.507 -0.203 -5.730 1.00 0.00 O ATOM 984 CB VAL A 68 0.089 0.259 -5.352 1.00 0.00 C ATOM 985 CG1 VAL A 68 0.265 0.362 -6.859 1.00 0.00 C ATOM 986 CG2 VAL A 68 -1.147 -0.558 -5.005 1.00 0.00 C ATOM 0 H VAL A 68 1.168 0.600 -2.845 1.00 0.00 H new ATOM 0 HA VAL A 68 1.417 -1.404 -4.999 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.047 1.266 -4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.630 0.800 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.126 0.992 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.426 -0.632 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.023 -0.108 -5.472 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.024 -1.577 -5.371 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.280 -0.575 -3.923 1.00 0.00 H new ATOM 996 N VAL A 69 2.576 1.709 -4.995 1.00 0.00 N ATOM 997 CA VAL A 69 3.697 2.544 -5.413 1.00 0.00 C ATOM 998 C VAL A 69 5.001 2.067 -4.784 1.00 0.00 C ATOM 999 O VAL A 69 6.068 2.165 -5.392 1.00 0.00 O ATOM 1000 CB VAL A 69 3.467 4.020 -5.037 1.00 0.00 C ATOM 1001 CG1 VAL A 69 4.686 4.857 -5.394 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.221 4.557 -5.726 1.00 0.00 C ATOM 0 H VAL A 69 1.813 2.219 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 69 3.769 2.460 -6.497 1.00 0.00 H new ATOM 0 HB VAL A 69 3.315 4.084 -3.960 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.506 5.897 -5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.555 4.485 -4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.872 4.790 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.074 5.601 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.342 4.482 -6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.354 3.974 -5.416 1.00 0.00 H new ATOM 1012 N LEU A 70 4.909 1.551 -3.564 1.00 0.00 N ATOM 1013 CA LEU A 70 6.083 1.058 -2.851 1.00 0.00 C ATOM 1014 C LEU A 70 6.235 -0.449 -3.030 1.00 0.00 C ATOM 1015 O LEU A 70 7.334 -0.990 -2.917 1.00 0.00 O ATOM 1016 CB LEU A 70 5.981 1.399 -1.363 1.00 0.00 C ATOM 1017 CG LEU A 70 5.580 2.836 -1.030 1.00 0.00 C ATOM 1018 CD1 LEU A 70 5.308 2.983 0.459 1.00 0.00 C ATOM 1019 CD2 LEU A 70 6.663 3.809 -1.474 1.00 0.00 C ATOM 0 H LEU A 70 4.034 1.463 -3.047 1.00 0.00 H new ATOM 0 HA LEU A 70 6.963 1.546 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.257 0.725 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.945 1.195 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 70 4.664 3.071 -1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.024 4.013 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.498 2.314 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.207 2.728 1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.360 4.827 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.596 3.574 -0.961 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.810 3.723 -2.551 1.00 0.00 H new ATOM 1031 N GLY A 71 5.123 -1.122 -3.311 1.00 0.00 N ATOM 1032 CA GLY A 71 5.155 -2.560 -3.503 1.00 0.00 C ATOM 1033 C GLY A 71 6.377 -3.015 -4.277 1.00 0.00 C ATOM 1034 O GLY A 71 6.887 -4.113 -4.056 1.00 0.00 O ATOM 0 H GLY A 71 4.201 -0.697 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.140 -3.054 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.256 -2.873 -4.033 1.00 0.00 H new ATOM 1038 N SER A 72 6.846 -2.169 -5.189 1.00 0.00 N ATOM 1039 CA SER A 72 8.012 -2.493 -6.003 1.00 0.00 C ATOM 1040 C SER A 72 9.080 -1.411 -5.876 1.00 0.00 C ATOM 1041 O SER A 72 8.789 -0.220 -5.985 1.00 0.00 O ATOM 1042 CB SER A 72 7.607 -2.656 -7.470 1.00 0.00 C ATOM 1043 OG SER A 72 8.634 -3.287 -8.215 1.00 0.00 O ATOM 0 H SER A 72 6.437 -1.255 -5.383 1.00 0.00 H new ATOM 0 HA SER A 72 8.427 -3.434 -5.641 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.692 -3.245 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.388 -1.679 -7.901 1.00 0.00 H new ATOM 0 HG SER A 72 8.350 -3.381 -9.148 1.00 0.00 H new ATOM 1049 N ALA A 73 10.318 -1.835 -5.645 1.00 0.00 N ATOM 1050 CA ALA A 73 11.431 -0.903 -5.505 1.00 0.00 C ATOM 1051 C ALA A 73 11.517 0.033 -6.706 1.00 0.00 C ATOM 1052 O ALA A 73 11.751 1.233 -6.556 1.00 0.00 O ATOM 1053 CB ALA A 73 12.737 -1.664 -5.332 1.00 0.00 C ATOM 0 H ALA A 73 10.576 -2.817 -5.551 1.00 0.00 H new ATOM 0 HA ALA A 73 11.256 -0.296 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.560 -0.956 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.680 -2.287 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 73 12.909 -2.295 -6.204 1.00 0.00 H new ATOM 1059 N THR A 74 11.329 -0.523 -7.899 1.00 0.00 N ATOM 1060 CA THR A 74 11.388 0.262 -9.126 1.00 0.00 C ATOM 1061 C THR A 74 10.315 1.345 -9.137 1.00 0.00 C ATOM 1062 O THR A 74 10.621 2.536 -9.200 1.00 0.00 O ATOM 1063 CB THR A 74 11.216 -0.628 -10.371 1.00 0.00 C ATOM 1064 OG1 THR A 74 12.382 -1.438 -10.558 1.00 0.00 O ATOM 1065 CG2 THR A 74 10.975 0.218 -11.612 1.00 0.00 C ATOM 0 H THR A 74 11.135 -1.514 -8.041 1.00 0.00 H new ATOM 0 HA THR A 74 12.372 0.729 -9.156 1.00 0.00 H new ATOM 0 HB THR A 74 10.349 -1.270 -10.215 1.00 0.00 H new ATOM 0 HG1 THR A 74 12.265 -2.002 -11.350 1.00 0.00 H new ATOM 0 HG21 THR A 74 10.857 -0.433 -12.478 1.00 0.00 H new ATOM 0 HG22 THR A 74 10.071 0.812 -11.478 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.825 0.882 -11.770 1.00 0.00 H new ATOM 1073 N LEU A 75 9.056 0.925 -9.077 1.00 0.00 N ATOM 1074 CA LEU A 75 7.936 1.860 -9.080 1.00 0.00 C ATOM 1075 C LEU A 75 8.292 3.138 -8.327 1.00 0.00 C ATOM 1076 O LEU A 75 8.064 4.243 -8.818 1.00 0.00 O ATOM 1077 CB LEU A 75 6.703 1.210 -8.450 1.00 0.00 C ATOM 1078 CG LEU A 75 5.997 0.150 -9.296 1.00 0.00 C ATOM 1079 CD1 LEU A 75 4.812 -0.434 -8.542 1.00 0.00 C ATOM 1080 CD2 LEU A 75 5.547 0.740 -10.625 1.00 0.00 C ATOM 0 H LEU A 75 8.785 -0.057 -9.026 1.00 0.00 H new ATOM 0 HA LEU A 75 7.714 2.120 -10.115 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.000 0.754 -7.506 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.985 1.995 -8.213 1.00 0.00 H new ATOM 0 HG LEU A 75 6.704 -0.654 -9.499 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.322 -1.186 -9.160 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.160 -0.895 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.103 0.360 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.047 -0.029 -11.214 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.857 1.564 -10.442 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.415 1.108 -11.172 1.00 0.00 H new ATOM 1092 N ARG A 76 8.855 2.979 -7.134 1.00 0.00 N ATOM 1093 CA ARG A 76 9.243 4.120 -6.314 1.00 0.00 C ATOM 1094 C ARG A 76 10.069 5.115 -7.124 1.00 0.00 C ATOM 1095 O ARG A 76 9.768 6.308 -7.152 1.00 0.00 O ATOM 1096 CB ARG A 76 10.041 3.651 -5.095 1.00 0.00 C ATOM 1097 CG ARG A 76 9.308 2.628 -4.244 1.00 0.00 C ATOM 1098 CD ARG A 76 10.276 1.778 -3.436 1.00 0.00 C ATOM 1099 NE ARG A 76 10.659 2.424 -2.184 1.00 0.00 N ATOM 1100 CZ ARG A 76 11.672 2.018 -1.427 1.00 0.00 C ATOM 1101 NH1 ARG A 76 12.400 0.973 -1.794 1.00 0.00 N ATOM 1102 NH2 ARG A 76 11.958 2.659 -0.300 1.00 0.00 N ATOM 0 H ARG A 76 9.053 2.071 -6.714 1.00 0.00 H new ATOM 0 HA ARG A 76 8.335 4.618 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.984 3.221 -5.432 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.287 4.515 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.621 3.139 -3.570 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.705 1.985 -4.885 1.00 0.00 H new ATOM 0 HD2 ARG A 76 9.818 0.813 -3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.168 1.581 -4.030 1.00 0.00 H new ATOM 0 HE ARG A 76 10.119 3.232 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.183 0.479 -2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.177 0.663 -1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.400 3.464 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.736 2.347 0.281 1.00 0.00 H new ATOM 1116 N ARG A 77 11.111 4.616 -7.780 1.00 0.00 N ATOM 1117 CA ARG A 77 11.981 5.461 -8.589 1.00 0.00 C ATOM 1118 C ARG A 77 11.172 6.252 -9.612 1.00 0.00 C ATOM 1119 O ARG A 77 11.404 7.444 -9.816 1.00 0.00 O ATOM 1120 CB ARG A 77 13.034 4.611 -9.302 1.00 0.00 C ATOM 1121 CG ARG A 77 13.776 3.659 -8.378 1.00 0.00 C ATOM 1122 CD ARG A 77 13.992 4.272 -7.003 1.00 0.00 C ATOM 1123 NE ARG A 77 14.899 5.416 -7.049 1.00 0.00 N ATOM 1124 CZ ARG A 77 15.485 5.932 -5.976 1.00 0.00 C ATOM 1125 NH1 ARG A 77 15.262 5.409 -4.778 1.00 0.00 N ATOM 1126 NH2 ARG A 77 16.298 6.974 -6.099 1.00 0.00 N ATOM 0 H ARG A 77 11.374 3.630 -7.767 1.00 0.00 H new ATOM 0 HA ARG A 77 12.482 6.165 -7.925 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.550 4.035 -10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.755 5.271 -9.785 1.00 0.00 H new ATOM 0 HG2 ARG A 77 13.211 2.732 -8.280 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.739 3.400 -8.818 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.033 4.586 -6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.396 3.517 -6.329 1.00 0.00 H new ATOM 0 HE ARG A 77 15.093 5.842 -7.956 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.639 4.608 -4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.714 5.808 -3.955 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.473 7.379 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 77 16.748 7.370 -5.274 1.00 0.00 H new ATOM 1140 N LYS A 78 10.222 5.581 -10.254 1.00 0.00 N ATOM 1141 CA LYS A 78 9.378 6.219 -11.256 1.00 0.00 C ATOM 1142 C LYS A 78 8.662 7.433 -10.672 1.00 0.00 C ATOM 1143 O LYS A 78 8.910 8.568 -11.080 1.00 0.00 O ATOM 1144 CB LYS A 78 8.351 5.222 -11.799 1.00 0.00 C ATOM 1145 CG LYS A 78 8.972 3.952 -12.354 1.00 0.00 C ATOM 1146 CD LYS A 78 8.024 3.235 -13.300 1.00 0.00 C ATOM 1147 CE LYS A 78 8.207 3.706 -14.735 1.00 0.00 C ATOM 1148 NZ LYS A 78 7.325 4.862 -15.056 1.00 0.00 N ATOM 0 H LYS A 78 10.017 4.594 -10.098 1.00 0.00 H new ATOM 0 HA LYS A 78 10.018 6.554 -12.072 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.656 4.958 -11.002 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.768 5.704 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.895 4.197 -12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.239 3.287 -11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.196 2.160 -13.244 1.00 0.00 H new ATOM 0 HD3 LYS A 78 6.995 3.410 -12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.248 3.988 -14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.991 2.884 -15.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.391 5.078 -16.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.341 4.625 -14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.626 5.692 -14.506 1.00 0.00 H new ATOM 1162 N TYR A 79 7.777 7.187 -9.713 1.00 0.00 N ATOM 1163 CA TYR A 79 7.025 8.260 -9.073 1.00 0.00 C ATOM 1164 C TYR A 79 7.953 9.390 -8.638 1.00 0.00 C ATOM 1165 O TYR A 79 7.602 10.567 -8.731 1.00 0.00 O ATOM 1166 CB TYR A 79 6.257 7.722 -7.864 1.00 0.00 C ATOM 1167 CG TYR A 79 5.287 8.719 -7.271 1.00 0.00 C ATOM 1168 CD1 TYR A 79 4.499 9.521 -8.087 1.00 0.00 C ATOM 1169 CD2 TYR A 79 5.159 8.859 -5.895 1.00 0.00 C ATOM 1170 CE1 TYR A 79 3.612 10.434 -7.550 1.00 0.00 C ATOM 1171 CE2 TYR A 79 4.274 9.768 -5.348 1.00 0.00 C ATOM 1172 CZ TYR A 79 3.503 10.553 -6.180 1.00 0.00 C ATOM 1173 OH TYR A 79 2.620 11.461 -5.640 1.00 0.00 O ATOM 0 H TYR A 79 7.562 6.254 -9.361 1.00 0.00 H new ATOM 0 HA TYR A 79 6.315 8.656 -9.799 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.710 6.827 -8.161 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.970 7.420 -7.096 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.581 9.429 -9.160 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.762 8.246 -5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.008 11.051 -8.199 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.186 9.863 -4.276 1.00 0.00 H new ATOM 0 HH TYR A 79 2.665 11.419 -4.662 1.00 0.00 H new ATOM 1183 N ASP A 80 9.138 9.024 -8.163 1.00 0.00 N ATOM 1184 CA ASP A 80 10.119 10.006 -7.715 1.00 0.00 C ATOM 1185 C ASP A 80 10.390 11.039 -8.804 1.00 0.00 C ATOM 1186 O ASP A 80 10.452 12.239 -8.533 1.00 0.00 O ATOM 1187 CB ASP A 80 11.422 9.312 -7.316 1.00 0.00 C ATOM 1188 CG ASP A 80 12.180 10.073 -6.246 1.00 0.00 C ATOM 1189 OD1 ASP A 80 11.577 10.378 -5.196 1.00 0.00 O ATOM 1190 OD2 ASP A 80 13.376 10.364 -6.459 1.00 0.00 O ATOM 0 H ASP A 80 9.443 8.054 -8.078 1.00 0.00 H new ATOM 0 HA ASP A 80 9.710 10.521 -6.845 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.199 8.308 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.055 9.201 -8.196 1.00 0.00 H new ATOM 1195 N ARG A 81 10.553 10.565 -10.034 1.00 0.00 N ATOM 1196 CA ARG A 81 10.820 11.448 -11.164 1.00 0.00 C ATOM 1197 C ARG A 81 9.524 11.838 -11.867 1.00 0.00 C ATOM 1198 O ARG A 81 9.540 12.314 -13.001 1.00 0.00 O ATOM 1199 CB ARG A 81 11.767 10.769 -12.156 1.00 0.00 C ATOM 1200 CG ARG A 81 12.847 9.931 -11.491 1.00 0.00 C ATOM 1201 CD ARG A 81 13.809 10.796 -10.692 1.00 0.00 C ATOM 1202 NE ARG A 81 15.094 10.134 -10.480 1.00 0.00 N ATOM 1203 CZ ARG A 81 16.157 10.740 -9.964 1.00 0.00 C ATOM 1204 NH1 ARG A 81 16.089 12.016 -9.608 1.00 0.00 N ATOM 1205 NH2 ARG A 81 17.291 10.071 -9.802 1.00 0.00 N ATOM 0 H ARG A 81 10.505 9.575 -10.274 1.00 0.00 H new ATOM 0 HA ARG A 81 11.292 12.353 -10.782 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.185 10.133 -12.824 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.240 11.532 -12.774 1.00 0.00 H new ATOM 0 HG2 ARG A 81 12.385 9.195 -10.833 1.00 0.00 H new ATOM 0 HG3 ARG A 81 13.399 9.377 -12.250 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.969 11.739 -11.215 1.00 0.00 H new ATOM 0 HD3 ARG A 81 13.363 11.039 -9.728 1.00 0.00 H new ATOM 0 HE ARG A 81 15.179 9.152 -10.743 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.219 12.534 -9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 81 16.907 12.479 -9.212 1.00 0.00 H new ATOM 0 HH21 ARG A 81 17.347 9.090 -10.074 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.107 10.538 -9.406 1.00 0.00 H new ATOM 1219 N GLY A 82 8.401 11.633 -11.185 1.00 0.00 N ATOM 1220 CA GLY A 82 7.112 11.969 -11.760 1.00 0.00 C ATOM 1221 C GLY A 82 6.780 11.122 -12.973 1.00 0.00 C ATOM 1222 O GLY A 82 6.102 11.582 -13.893 1.00 0.00 O ATOM 0 H GLY A 82 8.361 11.240 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.336 11.838 -11.006 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.107 13.022 -12.043 1.00 0.00 H new ATOM 1226 N LEU A 83 7.260 9.884 -12.978 1.00 0.00 N ATOM 1227 CA LEU A 83 7.012 8.971 -14.088 1.00 0.00 C ATOM 1228 C LEU A 83 5.784 8.107 -13.820 1.00 0.00 C ATOM 1229 O LEU A 83 5.121 7.646 -14.750 1.00 0.00 O ATOM 1230 CB LEU A 83 8.234 8.081 -14.325 1.00 0.00 C ATOM 1231 CG LEU A 83 9.571 8.805 -14.482 1.00 0.00 C ATOM 1232 CD1 LEU A 83 10.714 7.928 -13.994 1.00 0.00 C ATOM 1233 CD2 LEU A 83 9.791 9.212 -15.932 1.00 0.00 C ATOM 0 H LEU A 83 7.824 9.489 -12.225 1.00 0.00 H new ATOM 0 HA LEU A 83 6.825 9.567 -14.981 1.00 0.00 H new ATOM 0 HB2 LEU A 83 8.317 7.383 -13.492 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.058 7.487 -15.222 1.00 0.00 H new ATOM 0 HG LEU A 83 9.546 9.708 -13.872 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.658 8.460 -14.114 1.00 0.00 H new ATOM 0 HD12 LEU A 83 10.564 7.687 -12.942 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.740 7.007 -14.577 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.748 9.726 -16.024 1.00 0.00 H new ATOM 0 HD22 LEU A 83 9.794 8.323 -16.563 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.989 9.879 -16.248 1.00 0.00 H new ATOM 1245 N LEU A 84 5.485 7.894 -12.543 1.00 0.00 N ATOM 1246 CA LEU A 84 4.334 7.088 -12.151 1.00 0.00 C ATOM 1247 C LEU A 84 3.029 7.812 -12.466 1.00 0.00 C ATOM 1248 O LEU A 84 2.795 8.924 -11.993 1.00 0.00 O ATOM 1249 CB LEU A 84 4.401 6.760 -10.659 1.00 0.00 C ATOM 1250 CG LEU A 84 3.331 5.802 -10.133 1.00 0.00 C ATOM 1251 CD1 LEU A 84 3.810 4.362 -10.231 1.00 0.00 C ATOM 1252 CD2 LEU A 84 2.965 6.147 -8.697 1.00 0.00 C ATOM 0 H LEU A 84 6.024 8.268 -11.762 1.00 0.00 H new ATOM 0 HA LEU A 84 4.360 6.160 -12.722 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.380 6.332 -10.445 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.332 7.693 -10.099 1.00 0.00 H new ATOM 0 HG LEU A 84 2.439 5.910 -10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.036 3.695 -9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 84 4.021 4.119 -11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.717 4.239 -9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 84 2.202 5.455 -8.340 1.00 0.00 H new ATOM 0 HD22 LEU A 84 3.851 6.068 -8.067 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.579 7.166 -8.655 1.00 0.00 H new ATOM 1264 N SER A 85 2.182 7.173 -13.266 1.00 0.00 N ATOM 1265 CA SER A 85 0.901 7.757 -13.646 1.00 0.00 C ATOM 1266 C SER A 85 -0.257 6.944 -13.074 1.00 0.00 C ATOM 1267 O SER A 85 -0.077 5.805 -12.641 1.00 0.00 O ATOM 1268 CB SER A 85 0.782 7.833 -15.169 1.00 0.00 C ATOM 1269 OG SER A 85 -0.184 8.795 -15.558 1.00 0.00 O ATOM 0 H SER A 85 2.360 6.251 -13.664 1.00 0.00 H new ATOM 0 HA SER A 85 0.853 8.765 -13.235 1.00 0.00 H new ATOM 0 HB2 SER A 85 1.750 8.090 -15.600 1.00 0.00 H new ATOM 0 HB3 SER A 85 0.506 6.855 -15.565 1.00 0.00 H new ATOM 0 HG SER A 85 -0.240 8.826 -16.536 1.00 0.00 H new ATOM 1275 N ASP A 86 -1.446 7.537 -13.077 1.00 0.00 N ATOM 1276 CA ASP A 86 -2.635 6.868 -12.560 1.00 0.00 C ATOM 1277 C ASP A 86 -2.854 5.531 -13.260 1.00 0.00 C ATOM 1278 O ASP A 86 -3.637 4.701 -12.801 1.00 0.00 O ATOM 1279 CB ASP A 86 -3.865 7.759 -12.740 1.00 0.00 C ATOM 1280 CG ASP A 86 -3.594 9.203 -12.363 1.00 0.00 C ATOM 1281 OD1 ASP A 86 -2.850 9.432 -11.386 1.00 0.00 O ATOM 1282 OD2 ASP A 86 -4.126 10.103 -13.045 1.00 0.00 O ATOM 0 H ASP A 86 -1.612 8.479 -13.431 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.483 6.680 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.195 7.713 -13.778 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -4.682 7.374 -12.129 1.00 0.00 H new ATOM 1287 N GLU A 87 -2.156 5.330 -14.374 1.00 0.00 N ATOM 1288 CA GLU A 87 -2.277 4.094 -15.138 1.00 0.00 C ATOM 1289 C GLU A 87 -1.576 2.942 -14.422 1.00 0.00 C ATOM 1290 O GLU A 87 -1.990 1.787 -14.530 1.00 0.00 O ATOM 1291 CB GLU A 87 -1.686 4.273 -16.538 1.00 0.00 C ATOM 1292 CG GLU A 87 -1.877 3.065 -17.439 1.00 0.00 C ATOM 1293 CD GLU A 87 -3.322 2.872 -17.857 1.00 0.00 C ATOM 1294 OE1 GLU A 87 -3.948 3.856 -18.302 1.00 0.00 O ATOM 1295 OE2 GLU A 87 -3.826 1.735 -17.740 1.00 0.00 O ATOM 0 H GLU A 87 -1.502 6.007 -14.767 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.337 3.854 -15.227 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.145 5.143 -17.008 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.620 4.484 -16.449 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.257 3.178 -18.329 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.530 2.171 -16.921 1.00 0.00 H new ATOM 1302 N ASP A 88 -0.514 3.265 -13.693 1.00 0.00 N ATOM 1303 CA ASP A 88 0.244 2.259 -12.959 1.00 0.00 C ATOM 1304 C ASP A 88 -0.345 2.042 -11.569 1.00 0.00 C ATOM 1305 O ASP A 88 -0.451 0.908 -11.098 1.00 0.00 O ATOM 1306 CB ASP A 88 1.711 2.677 -12.846 1.00 0.00 C ATOM 1307 CG ASP A 88 2.474 2.469 -14.139 1.00 0.00 C ATOM 1308 OD1 ASP A 88 2.221 3.220 -15.104 1.00 0.00 O ATOM 1309 OD2 ASP A 88 3.323 1.554 -14.187 1.00 0.00 O ATOM 0 H ASP A 88 -0.158 4.216 -13.595 1.00 0.00 H new ATOM 0 HA ASP A 88 0.183 1.320 -13.510 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.765 3.728 -12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 88 2.188 2.105 -12.050 1.00 0.00 H new ATOM 1314 N LEU A 89 -0.725 3.134 -10.916 1.00 0.00 N ATOM 1315 CA LEU A 89 -1.302 3.064 -9.578 1.00 0.00 C ATOM 1316 C LEU A 89 -2.395 2.002 -9.512 1.00 0.00 C ATOM 1317 O LEU A 89 -2.530 1.298 -8.511 1.00 0.00 O ATOM 1318 CB LEU A 89 -1.873 4.425 -9.175 1.00 0.00 C ATOM 1319 CG LEU A 89 -0.854 5.475 -8.730 1.00 0.00 C ATOM 1320 CD1 LEU A 89 -1.349 6.874 -9.062 1.00 0.00 C ATOM 1321 CD2 LEU A 89 -0.572 5.346 -7.240 1.00 0.00 C ATOM 0 H LEU A 89 -0.644 4.079 -11.291 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.510 2.789 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.433 4.826 -10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.585 4.272 -8.364 1.00 0.00 H new ATOM 0 HG LEU A 89 0.076 5.304 -9.272 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.611 7.608 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.499 6.961 -10.138 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.293 7.058 -8.548 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.155 6.101 -6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.496 5.491 -6.681 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.172 4.354 -7.030 1.00 0.00 H new