USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 405 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 89:sc= -0.661 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 23 ASN :FLIP amide:sc= 1.39 F(o=-0.095,f=1.4) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 15:sc= -3.05 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1 K(o=-1,f=-1.7) USER MOD Single : A 52 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -0.376 USER MOD Single : A 58 SER OG : rot -87:sc= 0.149 USER MOD Single : A 59 ASN :FLIP amide:sc= -2.09! C(o=-4.1!,f=-2.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 25:sc= 0.329 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.564 7.165 -3.459 1.00 0.00 N ATOM 131 CA LYS A 10 55.201 6.288 -4.494 1.00 0.00 C ATOM 132 C LYS A 10 56.393 5.537 -3.887 1.00 0.00 C ATOM 133 O LYS A 10 57.319 6.133 -3.369 1.00 0.00 O ATOM 134 CB LYS A 10 55.662 7.241 -5.608 1.00 0.00 C ATOM 135 CG LYS A 10 55.112 6.766 -6.958 1.00 0.00 C ATOM 136 CD LYS A 10 55.937 7.377 -8.093 1.00 0.00 C ATOM 137 CE LYS A 10 55.237 8.632 -8.619 1.00 0.00 C ATOM 138 NZ LYS A 10 56.316 9.430 -9.269 1.00 0.00 N ATOM 0 HA LYS A 10 54.513 5.533 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.316 8.253 -5.400 1.00 0.00 H new ATOM 0 HB3 LYS A 10 56.751 7.277 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 10 55.148 5.678 -7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 10 54.066 7.056 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 10 56.936 7.628 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 10 56.059 6.652 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.451 8.377 -9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 10 54.766 9.190 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.914 10.308 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 57.046 9.663 -8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 56.741 8.876 -10.040 1.00 0.00 H new ATOM 152 N VAL A 11 56.373 4.229 -3.955 1.00 0.00 N ATOM 153 CA VAL A 11 57.492 3.406 -3.392 1.00 0.00 C ATOM 154 C VAL A 11 57.589 2.096 -4.165 1.00 0.00 C ATOM 155 O VAL A 11 56.646 1.678 -4.809 1.00 0.00 O ATOM 156 CB VAL A 11 57.148 3.132 -1.919 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.337 4.412 -1.102 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.702 2.637 -1.790 1.00 0.00 C ATOM 0 H VAL A 11 55.620 3.689 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 11 58.449 3.922 -3.472 1.00 0.00 H new ATOM 0 HB VAL A 11 57.814 2.358 -1.538 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.093 4.217 -0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.373 4.742 -1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.680 5.191 -1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.474 2.448 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.022 3.395 -2.178 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.581 1.716 -2.360 1.00 0.00 H new ATOM 168 N VAL A 12 58.720 1.451 -4.114 1.00 0.00 N ATOM 169 CA VAL A 12 58.897 0.172 -4.855 1.00 0.00 C ATOM 170 C VAL A 12 58.826 -1.005 -3.857 1.00 0.00 C ATOM 171 O VAL A 12 58.710 -0.810 -2.666 1.00 0.00 O ATOM 172 CB VAL A 12 60.295 0.344 -5.513 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.137 -0.938 -5.494 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.121 0.778 -6.963 1.00 0.00 C ATOM 0 H VAL A 12 59.537 1.758 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 12 58.134 -0.044 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 12 60.823 1.096 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.100 -0.748 -5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.297 -1.253 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.614 -1.725 -6.037 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.100 0.899 -7.426 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.555 0.020 -7.504 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.584 1.726 -6.997 1.00 0.00 H new ATOM 184 N ALA A 13 58.912 -2.216 -4.345 1.00 0.00 N ATOM 185 CA ALA A 13 58.867 -3.407 -3.445 1.00 0.00 C ATOM 186 C ALA A 13 60.194 -4.168 -3.532 1.00 0.00 C ATOM 187 O ALA A 13 60.785 -4.276 -4.592 1.00 0.00 O ATOM 188 CB ALA A 13 57.721 -4.264 -3.981 1.00 0.00 C ATOM 0 H ALA A 13 59.012 -2.432 -5.337 1.00 0.00 H new ATOM 0 HA ALA A 13 58.716 -3.138 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.622 -5.162 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.792 -3.695 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.930 -4.547 -5.013 1.00 0.00 H new ATOM 194 N LEU A 14 60.674 -4.686 -2.428 1.00 0.00 N ATOM 195 CA LEU A 14 61.973 -5.429 -2.450 1.00 0.00 C ATOM 196 C LEU A 14 61.747 -6.940 -2.339 1.00 0.00 C ATOM 197 O LEU A 14 62.480 -7.723 -2.912 1.00 0.00 O ATOM 198 CB LEU A 14 62.747 -4.915 -1.235 1.00 0.00 C ATOM 199 CG LEU A 14 62.995 -3.412 -1.383 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.648 -2.874 -0.107 1.00 0.00 C ATOM 201 CD2 LEU A 14 63.924 -3.163 -2.574 1.00 0.00 C ATOM 0 H LEU A 14 60.224 -4.627 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 14 62.512 -5.266 -3.383 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.185 -5.113 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.696 -5.443 -1.146 1.00 0.00 H new ATOM 0 HG LEU A 14 62.046 -2.902 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.825 -1.804 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.988 -3.051 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.597 -3.384 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.101 -2.093 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.873 -3.673 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.460 -3.546 -3.483 1.00 0.00 H new ATOM 213 N TYR A 15 60.746 -7.355 -1.603 1.00 0.00 N ATOM 214 CA TYR A 15 60.485 -8.822 -1.454 1.00 0.00 C ATOM 215 C TYR A 15 58.982 -9.104 -1.423 1.00 0.00 C ATOM 216 O TYR A 15 58.169 -8.201 -1.385 1.00 0.00 O ATOM 217 CB TYR A 15 61.128 -9.213 -0.122 1.00 0.00 C ATOM 218 CG TYR A 15 62.613 -8.945 -0.177 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.435 -9.717 -1.007 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.169 -7.924 0.604 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.812 -9.468 -1.057 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.546 -7.675 0.554 1.00 0.00 C ATOM 223 CZ TYR A 15 65.367 -8.446 -0.277 1.00 0.00 C ATOM 224 OH TYR A 15 66.724 -8.202 -0.327 1.00 0.00 O ATOM 0 H TYR A 15 60.100 -6.746 -1.101 1.00 0.00 H new ATOM 0 HA TYR A 15 60.894 -9.391 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.676 -8.646 0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.946 -10.268 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 15 63.007 -10.505 -1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.536 -7.329 1.245 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.446 -10.064 -1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.975 -6.888 1.157 1.00 0.00 H new ATOM 0 HH TYR A 15 66.945 -7.460 0.273 1.00 0.00 H new ATOM 234 N ASP A 16 58.611 -10.359 -1.439 1.00 0.00 N ATOM 235 CA ASP A 16 57.162 -10.725 -1.415 1.00 0.00 C ATOM 236 C ASP A 16 56.619 -10.688 0.016 1.00 0.00 C ATOM 237 O ASP A 16 57.342 -10.895 0.972 1.00 0.00 O ATOM 238 CB ASP A 16 57.104 -12.147 -1.973 1.00 0.00 C ATOM 239 CG ASP A 16 57.137 -12.098 -3.502 1.00 0.00 C ATOM 240 OD1 ASP A 16 58.222 -11.974 -4.047 1.00 0.00 O ATOM 241 OD2 ASP A 16 56.079 -12.186 -4.102 1.00 0.00 O ATOM 0 H ASP A 16 59.253 -11.151 -1.468 1.00 0.00 H new ATOM 0 HA ASP A 16 56.556 -10.030 -1.997 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.946 -12.730 -1.599 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.196 -12.645 -1.634 1.00 0.00 H new ATOM 246 N TYR A 17 55.345 -10.424 0.162 1.00 0.00 N ATOM 247 CA TYR A 17 54.728 -10.367 1.523 1.00 0.00 C ATOM 248 C TYR A 17 53.201 -10.299 1.390 1.00 0.00 C ATOM 249 O TYR A 17 52.629 -9.234 1.240 1.00 0.00 O ATOM 250 CB TYR A 17 55.290 -9.086 2.156 1.00 0.00 C ATOM 251 CG TYR A 17 54.656 -8.845 3.507 1.00 0.00 C ATOM 252 CD1 TYR A 17 55.142 -9.506 4.640 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.581 -7.955 3.622 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.552 -9.277 5.888 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.992 -7.726 4.870 1.00 0.00 C ATOM 256 CZ TYR A 17 53.478 -8.388 6.004 1.00 0.00 C ATOM 257 OH TYR A 17 52.898 -8.165 7.236 1.00 0.00 O ATOM 0 H TYR A 17 54.701 -10.244 -0.608 1.00 0.00 H new ATOM 0 HA TYR A 17 54.954 -11.242 2.132 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.371 -9.170 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.100 -8.236 1.501 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.971 -10.192 4.552 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.206 -7.445 2.747 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.926 -9.787 6.763 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.163 -7.039 4.959 1.00 0.00 H new ATOM 0 HH TYR A 17 53.363 -7.431 7.688 1.00 0.00 H new ATOM 267 N MET A 18 52.542 -11.428 1.439 1.00 0.00 N ATOM 268 CA MET A 18 51.052 -11.442 1.312 1.00 0.00 C ATOM 269 C MET A 18 50.393 -11.064 2.652 1.00 0.00 C ATOM 270 O MET A 18 51.008 -11.200 3.690 1.00 0.00 O ATOM 271 CB MET A 18 50.698 -12.879 0.926 1.00 0.00 C ATOM 272 CG MET A 18 50.873 -13.062 -0.582 1.00 0.00 C ATOM 273 SD MET A 18 51.031 -14.824 -0.962 1.00 0.00 S ATOM 274 CE MET A 18 52.836 -14.912 -0.882 1.00 0.00 C ATOM 0 H MET A 18 52.972 -12.345 1.562 1.00 0.00 H new ATOM 0 HA MET A 18 50.698 -10.722 0.574 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.337 -13.579 1.464 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.670 -13.101 1.213 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.019 -12.640 -1.112 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.757 -12.525 -0.924 1.00 0.00 H new ATOM 0 HE1 MET A 18 53.160 -15.932 -1.089 1.00 0.00 H new ATOM 0 HE2 MET A 18 53.266 -14.237 -1.622 1.00 0.00 H new ATOM 0 HE3 MET A 18 53.171 -14.620 0.113 1.00 0.00 H new ATOM 284 N PRO A 19 49.156 -10.594 2.598 1.00 0.00 N ATOM 285 CA PRO A 19 48.446 -10.200 3.838 1.00 0.00 C ATOM 286 C PRO A 19 48.202 -11.417 4.737 1.00 0.00 C ATOM 287 O PRO A 19 48.217 -12.546 4.285 1.00 0.00 O ATOM 288 CB PRO A 19 47.124 -9.630 3.306 1.00 0.00 C ATOM 289 CG PRO A 19 47.130 -9.720 1.768 1.00 0.00 C ATOM 290 CD PRO A 19 48.409 -10.427 1.320 1.00 0.00 C ATOM 0 HA PRO A 19 49.003 -9.492 4.452 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.281 -10.188 3.714 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.004 -8.594 3.623 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.254 -10.267 1.419 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.078 -8.723 1.332 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.197 -11.386 0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.969 -9.832 0.598 1.00 0.00 H new ATOM 298 N MET A 20 47.976 -11.187 6.005 1.00 0.00 N ATOM 299 CA MET A 20 47.727 -12.320 6.947 1.00 0.00 C ATOM 300 C MET A 20 46.259 -12.327 7.379 1.00 0.00 C ATOM 301 O MET A 20 45.514 -13.234 7.060 1.00 0.00 O ATOM 302 CB MET A 20 48.635 -12.047 8.148 1.00 0.00 C ATOM 303 CG MET A 20 50.096 -12.043 7.694 1.00 0.00 C ATOM 304 SD MET A 20 51.157 -12.571 9.063 1.00 0.00 S ATOM 305 CE MET A 20 51.486 -14.246 8.463 1.00 0.00 C ATOM 0 H MET A 20 47.953 -10.260 6.430 1.00 0.00 H new ATOM 0 HA MET A 20 47.934 -13.289 6.493 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.381 -11.088 8.599 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.483 -12.809 8.913 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.225 -12.711 6.842 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.382 -11.045 7.363 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.135 -14.764 9.169 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.546 -14.790 8.368 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.975 -14.195 7.490 1.00 0.00 H new ATOM 315 N ASN A 21 45.842 -11.318 8.101 1.00 0.00 N ATOM 316 CA ASN A 21 44.422 -11.254 8.558 1.00 0.00 C ATOM 317 C ASN A 21 43.591 -10.416 7.578 1.00 0.00 C ATOM 318 O ASN A 21 42.813 -10.944 6.807 1.00 0.00 O ATOM 319 CB ASN A 21 44.479 -10.600 9.945 1.00 0.00 C ATOM 320 CG ASN A 21 43.064 -10.459 10.511 1.00 0.00 C ATOM 321 OD1 ASN A 21 42.405 -9.463 10.292 1.00 0.00 O ATOM 322 ND2 ASN A 21 42.566 -11.423 11.237 1.00 0.00 N ATOM 0 H ASN A 21 46.426 -10.534 8.394 1.00 0.00 H new ATOM 0 HA ASN A 21 43.950 -12.236 8.601 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.091 -11.203 10.616 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.952 -9.620 9.876 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.624 -11.339 11.620 1.00 0.00 H new ATOM 0 HD22 ASN A 21 43.119 -12.260 11.422 1.00 0.00 H new ATOM 329 N ALA A 22 43.753 -9.118 7.602 1.00 0.00 N ATOM 330 CA ALA A 22 42.978 -8.240 6.670 1.00 0.00 C ATOM 331 C ALA A 22 43.521 -6.809 6.708 1.00 0.00 C ATOM 332 O ALA A 22 42.787 -5.855 6.531 1.00 0.00 O ATOM 333 CB ALA A 22 41.539 -8.281 7.185 1.00 0.00 C ATOM 0 H ALA A 22 44.390 -8.626 8.228 1.00 0.00 H new ATOM 0 HA ALA A 22 43.050 -8.577 5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.908 -7.659 6.551 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.174 -9.308 7.164 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.508 -7.906 8.208 1.00 0.00 H new ATOM 339 N ASN A 23 44.801 -6.658 6.928 1.00 0.00 N ATOM 340 CA ASN A 23 45.407 -5.294 6.970 1.00 0.00 C ATOM 341 C ASN A 23 46.551 -5.186 5.982 1.00 0.00 C ATOM 342 O ASN A 23 46.569 -4.333 5.116 1.00 0.00 O ATOM 343 CB ASN A 23 45.973 -5.138 8.372 1.00 0.00 C ATOM 344 CG ASN A 23 44.933 -4.486 9.284 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.012 -5.227 9.837 1.00 0.00 O flip ATOM 346 ND2 ASN A 23 44.959 -3.290 9.497 1.00 0.00 N flip ATOM 0 H ASN A 23 45.456 -7.425 7.081 1.00 0.00 H new ATOM 0 HA ASN A 23 44.666 -4.534 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.258 -6.112 8.769 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.877 -4.529 8.343 1.00 0.00 H new ATOM 0 HD21 ASN A 23 45.679 -2.711 9.065 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.261 -2.865 10.108 1.00 0.00 H new ATOM 353 N ASP A 24 47.531 -6.031 6.151 1.00 0.00 N ATOM 354 CA ASP A 24 48.737 -5.993 5.278 1.00 0.00 C ATOM 355 C ASP A 24 48.365 -5.885 3.792 1.00 0.00 C ATOM 356 O ASP A 24 47.348 -6.391 3.356 1.00 0.00 O ATOM 357 CB ASP A 24 49.473 -7.304 5.556 1.00 0.00 C ATOM 358 CG ASP A 24 50.419 -7.113 6.744 1.00 0.00 C ATOM 359 OD1 ASP A 24 51.133 -6.125 6.754 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.411 -7.959 7.624 1.00 0.00 O ATOM 0 H ASP A 24 47.546 -6.756 6.868 1.00 0.00 H new ATOM 0 HA ASP A 24 49.351 -5.118 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.757 -8.097 5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.036 -7.612 4.675 1.00 0.00 H new ATOM 365 N LEU A 25 49.183 -5.217 3.025 1.00 0.00 N ATOM 366 CA LEU A 25 48.897 -5.050 1.573 1.00 0.00 C ATOM 367 C LEU A 25 49.692 -6.083 0.772 1.00 0.00 C ATOM 368 O LEU A 25 50.843 -6.348 1.063 1.00 0.00 O ATOM 369 CB LEU A 25 49.368 -3.631 1.248 1.00 0.00 C ATOM 370 CG LEU A 25 48.769 -3.182 -0.091 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.361 -2.623 0.129 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.651 -2.094 -0.710 1.00 0.00 C ATOM 0 H LEU A 25 50.045 -4.776 3.346 1.00 0.00 H new ATOM 0 HA LEU A 25 47.845 -5.195 1.326 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.066 -2.947 2.041 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.456 -3.601 1.199 1.00 0.00 H new ATOM 0 HG LEU A 25 48.718 -4.040 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 25 46.942 -2.306 -0.826 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.727 -3.395 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.410 -1.769 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.224 -1.777 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.705 -1.241 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.653 -2.489 -0.876 1.00 0.00 H new ATOM 384 N GLN A 26 49.085 -6.670 -0.227 1.00 0.00 N ATOM 385 CA GLN A 26 49.804 -7.694 -1.048 1.00 0.00 C ATOM 386 C GLN A 26 51.046 -7.081 -1.700 1.00 0.00 C ATOM 387 O GLN A 26 50.992 -6.582 -2.809 1.00 0.00 O ATOM 388 CB GLN A 26 48.801 -8.131 -2.118 1.00 0.00 C ATOM 389 CG GLN A 26 49.314 -9.391 -2.817 1.00 0.00 C ATOM 390 CD GLN A 26 48.295 -9.849 -3.861 1.00 0.00 C ATOM 391 OE1 GLN A 26 47.569 -9.044 -4.411 1.00 0.00 O ATOM 392 NE2 GLN A 26 48.208 -11.117 -4.159 1.00 0.00 N ATOM 0 H GLN A 26 48.123 -6.486 -0.511 1.00 0.00 H new ATOM 0 HA GLN A 26 50.145 -8.534 -0.442 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.830 -8.325 -1.663 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.658 -7.332 -2.845 1.00 0.00 H new ATOM 0 HG2 GLN A 26 50.273 -9.190 -3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.482 -10.182 -2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.817 -11.792 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 26 47.531 -11.432 -4.853 1.00 0.00 H new ATOM 401 N LEU A 27 52.166 -7.123 -1.021 1.00 0.00 N ATOM 402 CA LEU A 27 53.418 -6.553 -1.600 1.00 0.00 C ATOM 403 C LEU A 27 54.033 -7.546 -2.592 1.00 0.00 C ATOM 404 O LEU A 27 53.421 -8.534 -2.950 1.00 0.00 O ATOM 405 CB LEU A 27 54.346 -6.330 -0.405 1.00 0.00 C ATOM 406 CG LEU A 27 54.157 -4.918 0.148 1.00 0.00 C ATOM 407 CD1 LEU A 27 54.354 -4.941 1.666 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.188 -3.979 -0.486 1.00 0.00 C ATOM 0 H LEU A 27 52.265 -7.528 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 27 53.241 -5.627 -2.147 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.135 -7.065 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.383 -6.475 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 27 53.153 -4.564 -0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 27 54.220 -3.936 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 27 53.623 -5.611 2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 27 55.360 -5.292 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.054 -2.972 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.193 -4.330 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.052 -3.967 -1.567 1.00 0.00 H new ATOM 420 N ARG A 28 55.233 -7.284 -3.044 1.00 0.00 N ATOM 421 CA ARG A 28 55.897 -8.204 -4.023 1.00 0.00 C ATOM 422 C ARG A 28 57.349 -7.774 -4.244 1.00 0.00 C ATOM 423 O ARG A 28 57.880 -6.959 -3.515 1.00 0.00 O ATOM 424 CB ARG A 28 55.096 -8.058 -5.321 1.00 0.00 C ATOM 425 CG ARG A 28 54.967 -9.424 -5.998 1.00 0.00 C ATOM 426 CD ARG A 28 54.830 -9.234 -7.511 1.00 0.00 C ATOM 427 NE ARG A 28 54.934 -10.606 -8.081 1.00 0.00 N ATOM 428 CZ ARG A 28 53.853 -11.268 -8.389 1.00 0.00 C ATOM 429 NH1 ARG A 28 53.214 -11.941 -7.471 1.00 0.00 N ATOM 430 NH2 ARG A 28 53.409 -11.258 -9.617 1.00 0.00 N ATOM 0 H ARG A 28 55.786 -6.469 -2.777 1.00 0.00 H new ATOM 0 HA ARG A 28 55.915 -9.235 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.107 -7.652 -5.107 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.592 -7.354 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.841 -10.036 -5.775 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.099 -9.955 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.877 -8.771 -7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 28 55.614 -8.584 -7.900 1.00 0.00 H new ATOM 0 HE ARG A 28 55.850 -11.028 -8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 28 53.560 -11.950 -6.511 1.00 0.00 H new ATOM 0 HH12 ARG A 28 52.369 -12.458 -7.713 1.00 0.00 H new ATOM 0 HH21 ARG A 28 53.907 -10.733 -10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 28 52.564 -11.776 -9.858 1.00 0.00 H new ATOM 444 N LYS A 29 57.993 -8.316 -5.249 1.00 0.00 N ATOM 445 CA LYS A 29 59.405 -7.941 -5.524 1.00 0.00 C ATOM 446 C LYS A 29 59.509 -7.225 -6.870 1.00 0.00 C ATOM 447 O LYS A 29 59.212 -7.782 -7.909 1.00 0.00 O ATOM 448 CB LYS A 29 60.178 -9.262 -5.540 1.00 0.00 C ATOM 449 CG LYS A 29 61.664 -8.988 -5.784 1.00 0.00 C ATOM 450 CD LYS A 29 62.445 -10.302 -5.712 1.00 0.00 C ATOM 451 CE LYS A 29 62.519 -10.775 -4.259 1.00 0.00 C ATOM 452 NZ LYS A 29 63.306 -12.037 -4.306 1.00 0.00 N ATOM 0 H LYS A 29 57.596 -9.003 -5.889 1.00 0.00 H new ATOM 0 HA LYS A 29 59.804 -7.256 -4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 29 60.045 -9.783 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.786 -9.914 -6.320 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.803 -8.523 -6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.042 -8.287 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.960 -11.060 -6.328 1.00 0.00 H new ATOM 0 HD3 LYS A 29 63.450 -10.162 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 29 63.003 -10.031 -3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.524 -10.945 -3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.400 -12.423 -3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 62.818 -12.728 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 64.251 -11.843 -4.695 1.00 0.00 H new ATOM 466 N GLY A 30 59.913 -5.980 -6.846 1.00 0.00 N ATOM 467 CA GLY A 30 60.024 -5.195 -8.109 1.00 0.00 C ATOM 468 C GLY A 30 58.743 -4.385 -8.311 1.00 0.00 C ATOM 469 O GLY A 30 58.750 -3.360 -8.967 1.00 0.00 O ATOM 0 H GLY A 30 60.172 -5.472 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.886 -4.529 -8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.183 -5.864 -8.955 1.00 0.00 H new ATOM 473 N ASP A 31 57.644 -4.826 -7.741 1.00 0.00 N ATOM 474 CA ASP A 31 56.372 -4.066 -7.892 1.00 0.00 C ATOM 475 C ASP A 31 56.494 -2.755 -7.122 1.00 0.00 C ATOM 476 O ASP A 31 57.456 -2.548 -6.416 1.00 0.00 O ATOM 477 CB ASP A 31 55.286 -4.955 -7.281 1.00 0.00 C ATOM 478 CG ASP A 31 53.935 -4.619 -7.914 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.713 -3.457 -8.207 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.144 -5.531 -8.094 1.00 0.00 O ATOM 0 H ASP A 31 57.579 -5.676 -7.181 1.00 0.00 H new ATOM 0 HA ASP A 31 56.140 -3.827 -8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.526 -6.005 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.242 -4.804 -6.202 1.00 0.00 H new ATOM 485 N GLU A 32 55.545 -1.868 -7.252 1.00 0.00 N ATOM 486 CA GLU A 32 55.634 -0.568 -6.515 1.00 0.00 C ATOM 487 C GLU A 32 54.235 -0.165 -6.055 1.00 0.00 C ATOM 488 O GLU A 32 53.251 -0.725 -6.503 1.00 0.00 O ATOM 489 CB GLU A 32 56.208 0.445 -7.514 1.00 0.00 C ATOM 490 CG GLU A 32 57.400 -0.155 -8.276 1.00 0.00 C ATOM 491 CD GLU A 32 58.021 0.898 -9.202 1.00 0.00 C ATOM 492 OE1 GLU A 32 57.803 2.076 -8.967 1.00 0.00 O ATOM 493 OE2 GLU A 32 58.703 0.506 -10.133 1.00 0.00 O ATOM 0 H GLU A 32 54.715 -1.983 -7.833 1.00 0.00 H new ATOM 0 HA GLU A 32 56.267 -0.627 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.434 0.745 -8.220 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.524 1.345 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.148 -0.515 -7.570 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.072 -1.015 -8.860 1.00 0.00 H new ATOM 500 N TYR A 33 54.128 0.760 -5.130 1.00 0.00 N ATOM 501 CA TYR A 33 52.782 1.134 -4.614 1.00 0.00 C ATOM 502 C TYR A 33 52.665 2.641 -4.371 1.00 0.00 C ATOM 503 O TYR A 33 53.502 3.423 -4.778 1.00 0.00 O ATOM 504 CB TYR A 33 52.667 0.391 -3.278 1.00 0.00 C ATOM 505 CG TYR A 33 53.128 -1.048 -3.422 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.263 -2.011 -3.948 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.429 -1.404 -3.043 1.00 0.00 C ATOM 508 CE1 TYR A 33 52.694 -3.333 -4.095 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.860 -2.726 -3.191 1.00 0.00 C ATOM 510 CZ TYR A 33 53.993 -3.690 -3.717 1.00 0.00 C ATOM 511 OH TYR A 33 54.420 -4.992 -3.866 1.00 0.00 O ATOM 0 H TYR A 33 54.911 1.266 -4.716 1.00 0.00 H new ATOM 0 HA TYR A 33 51.998 0.875 -5.326 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.268 0.897 -2.522 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.634 0.414 -2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.261 -1.734 -4.241 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.098 -0.659 -2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.025 -4.078 -4.500 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.862 -3.003 -2.899 1.00 0.00 H new ATOM 0 HH TYR A 33 53.802 -5.474 -4.455 1.00 0.00 H new ATOM 521 N PHE A 34 51.622 3.037 -3.688 1.00 0.00 N ATOM 522 CA PHE A 34 51.407 4.482 -3.373 1.00 0.00 C ATOM 523 C PHE A 34 51.360 4.677 -1.857 1.00 0.00 C ATOM 524 O PHE A 34 50.636 3.994 -1.160 1.00 0.00 O ATOM 525 CB PHE A 34 50.062 4.834 -4.004 1.00 0.00 C ATOM 526 CG PHE A 34 50.291 5.359 -5.401 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.867 4.536 -6.376 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.936 6.676 -5.718 1.00 0.00 C ATOM 529 CE1 PHE A 34 51.088 5.029 -7.667 1.00 0.00 C ATOM 530 CE2 PHE A 34 50.157 7.168 -7.010 1.00 0.00 C ATOM 531 CZ PHE A 34 50.733 6.345 -7.985 1.00 0.00 C ATOM 0 H PHE A 34 50.900 2.412 -3.330 1.00 0.00 H new ATOM 0 HA PHE A 34 52.207 5.116 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.420 3.954 -4.034 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.549 5.583 -3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 34 51.141 3.520 -6.132 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.492 7.312 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.533 4.394 -8.418 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.883 8.184 -7.255 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.903 6.725 -8.981 1.00 0.00 H new ATOM 541 N ILE A 35 52.145 5.589 -1.342 1.00 0.00 N ATOM 542 CA ILE A 35 52.177 5.810 0.137 1.00 0.00 C ATOM 543 C ILE A 35 51.126 6.826 0.592 1.00 0.00 C ATOM 544 O ILE A 35 51.021 7.918 0.069 1.00 0.00 O ATOM 545 CB ILE A 35 53.588 6.334 0.432 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.643 5.336 -0.070 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.769 6.544 1.939 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.438 3.965 0.586 1.00 0.00 C ATOM 0 H ILE A 35 52.766 6.191 -1.882 1.00 0.00 H new ATOM 0 HA ILE A 35 51.949 4.889 0.673 1.00 0.00 H new ATOM 0 HB ILE A 35 53.716 7.285 -0.085 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.576 5.241 -1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.642 5.709 0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.774 6.916 2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.037 7.269 2.296 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.624 5.597 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.193 3.270 0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.528 4.062 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.446 3.587 0.337 1.00 0.00 H new ATOM 560 N LEU A 36 50.379 6.466 1.599 1.00 0.00 N ATOM 561 CA LEU A 36 49.348 7.384 2.163 1.00 0.00 C ATOM 562 C LEU A 36 49.865 7.896 3.525 1.00 0.00 C ATOM 563 O LEU A 36 49.638 9.024 3.916 1.00 0.00 O ATOM 564 CB LEU A 36 48.063 6.507 2.258 1.00 0.00 C ATOM 565 CG LEU A 36 47.603 6.251 3.707 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.997 7.532 4.286 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.545 5.144 3.716 1.00 0.00 C ATOM 0 H LEU A 36 50.440 5.560 2.063 1.00 0.00 H new ATOM 0 HA LEU A 36 49.136 8.273 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 36 47.257 6.995 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 36 48.248 5.551 1.769 1.00 0.00 H new ATOM 0 HG LEU A 36 48.459 5.947 4.310 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.672 7.350 5.310 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.745 8.324 4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 36 46.141 7.835 3.682 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.218 4.961 4.740 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.691 5.452 3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 36 46.971 4.230 3.303 1.00 0.00 H new ATOM 579 N GLU A 37 50.573 7.052 4.224 1.00 0.00 N ATOM 580 CA GLU A 37 51.149 7.416 5.548 1.00 0.00 C ATOM 581 C GLU A 37 52.183 6.351 5.902 1.00 0.00 C ATOM 582 O GLU A 37 52.584 5.583 5.044 1.00 0.00 O ATOM 583 CB GLU A 37 49.974 7.385 6.525 1.00 0.00 C ATOM 584 CG GLU A 37 49.452 8.807 6.742 1.00 0.00 C ATOM 585 CD GLU A 37 48.815 8.912 8.128 1.00 0.00 C ATOM 586 OE1 GLU A 37 49.369 8.349 9.058 1.00 0.00 O ATOM 587 OE2 GLU A 37 47.783 9.553 8.238 1.00 0.00 O ATOM 0 H GLU A 37 50.781 6.100 3.923 1.00 0.00 H new ATOM 0 HA GLU A 37 51.634 8.392 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.179 6.750 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.289 6.953 7.475 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.269 9.523 6.650 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.720 9.058 5.974 1.00 0.00 H new ATOM 653 N PRO A 42 57.410 1.596 11.684 1.00 0.00 N ATOM 654 CA PRO A 42 57.838 0.371 10.943 1.00 0.00 C ATOM 655 C PRO A 42 56.974 0.113 9.699 1.00 0.00 C ATOM 656 O PRO A 42 57.418 0.294 8.581 1.00 0.00 O ATOM 657 CB PRO A 42 57.625 -0.746 11.973 1.00 0.00 C ATOM 658 CG PRO A 42 57.055 -0.130 13.259 1.00 0.00 C ATOM 659 CD PRO A 42 56.943 1.383 13.080 1.00 0.00 C ATOM 0 HA PRO A 42 58.860 0.450 10.573 1.00 0.00 H new ATOM 0 HB2 PRO A 42 56.941 -1.498 11.579 1.00 0.00 H new ATOM 0 HB3 PRO A 42 58.568 -1.252 12.182 1.00 0.00 H new ATOM 0 HG2 PRO A 42 56.076 -0.556 13.479 1.00 0.00 H new ATOM 0 HG3 PRO A 42 57.701 -0.362 14.106 1.00 0.00 H new ATOM 0 HD2 PRO A 42 55.919 1.730 13.219 1.00 0.00 H new ATOM 0 HD3 PRO A 42 57.562 1.920 13.798 1.00 0.00 H new ATOM 667 N TRP A 43 55.755 -0.332 9.888 1.00 0.00 N ATOM 668 CA TRP A 43 54.872 -0.632 8.721 1.00 0.00 C ATOM 669 C TRP A 43 54.311 0.663 8.151 1.00 0.00 C ATOM 670 O TRP A 43 54.472 1.716 8.733 1.00 0.00 O ATOM 671 CB TRP A 43 53.752 -1.505 9.285 1.00 0.00 C ATOM 672 CG TRP A 43 54.313 -2.812 9.722 1.00 0.00 C ATOM 673 CD1 TRP A 43 54.776 -3.055 10.955 1.00 0.00 C ATOM 674 CD2 TRP A 43 54.478 -4.048 8.966 1.00 0.00 C ATOM 675 NE1 TRP A 43 55.221 -4.363 11.023 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.057 -5.018 9.819 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.185 -4.419 7.642 1.00 0.00 C ATOM 678 CZ2 TRP A 43 55.336 -6.310 9.373 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.465 -5.719 7.191 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.040 -6.663 8.055 1.00 0.00 C ATOM 0 H TRP A 43 55.334 -0.500 10.802 1.00 0.00 H new ATOM 0 HA TRP A 43 55.404 -1.133 7.912 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.274 -1.003 10.126 1.00 0.00 H new ATOM 0 HB3 TRP A 43 52.983 -1.662 8.529 1.00 0.00 H new ATOM 0 HD1 TRP A 43 54.798 -2.343 11.767 1.00 0.00 H new ATOM 0 HE1 TRP A 43 55.621 -4.790 11.859 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.742 -3.700 6.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 55.778 -7.033 10.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.236 -5.994 6.172 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.253 -7.661 7.701 1.00 0.00 H new ATOM 691 N TRP A 44 53.680 0.596 7.005 1.00 0.00 N ATOM 692 CA TRP A 44 53.135 1.833 6.377 1.00 0.00 C ATOM 693 C TRP A 44 51.639 1.693 6.083 1.00 0.00 C ATOM 694 O TRP A 44 50.987 0.776 6.535 1.00 0.00 O ATOM 695 CB TRP A 44 53.901 1.942 5.053 1.00 0.00 C ATOM 696 CG TRP A 44 55.225 2.630 5.211 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.725 3.174 6.346 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.223 2.850 4.182 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.972 3.712 6.072 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.322 3.534 4.748 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.272 2.519 2.820 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.437 3.878 3.982 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.386 2.862 2.046 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.470 3.540 2.624 1.00 0.00 C ATOM 0 H TRP A 44 53.520 -0.263 6.479 1.00 0.00 H new ATOM 0 HA TRP A 44 53.249 2.702 7.025 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.060 0.944 4.646 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.295 2.488 4.330 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.232 3.186 7.307 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.558 4.181 6.762 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.444 1.996 2.365 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.267 4.401 4.433 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.412 2.603 0.998 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.328 3.801 2.022 1.00 0.00 H new ATOM 715 N ARG A 45 51.111 2.596 5.298 1.00 0.00 N ATOM 716 CA ARG A 45 49.680 2.541 4.906 1.00 0.00 C ATOM 717 C ARG A 45 49.614 2.962 3.440 1.00 0.00 C ATOM 718 O ARG A 45 49.185 4.050 3.113 1.00 0.00 O ATOM 719 CB ARG A 45 48.968 3.553 5.806 1.00 0.00 C ATOM 720 CG ARG A 45 48.203 2.812 6.905 1.00 0.00 C ATOM 721 CD ARG A 45 47.030 3.672 7.380 1.00 0.00 C ATOM 722 NE ARG A 45 45.867 3.218 6.567 1.00 0.00 N ATOM 723 CZ ARG A 45 44.858 2.629 7.145 1.00 0.00 C ATOM 724 NH1 ARG A 45 45.004 1.440 7.662 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.700 3.229 7.205 1.00 0.00 N ATOM 0 H ARG A 45 51.627 3.384 4.906 1.00 0.00 H new ATOM 0 HA ARG A 45 49.221 1.558 5.015 1.00 0.00 H new ATOM 0 HB2 ARG A 45 49.694 4.234 6.250 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.281 4.160 5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.838 1.857 6.528 1.00 0.00 H new ATOM 0 HG3 ARG A 45 48.868 2.592 7.740 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.845 3.534 8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 45 47.230 4.732 7.226 1.00 0.00 H new ATOM 0 HE ARG A 45 45.860 3.368 5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 45 45.908 0.971 7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 45 44.214 0.980 8.114 1.00 0.00 H new ATOM 0 HH21 ARG A 45 43.585 4.158 6.800 1.00 0.00 H new ATOM 0 HH22 ARG A 45 42.910 2.769 7.657 1.00 0.00 H new ATOM 739 N ALA A 46 50.091 2.117 2.564 1.00 0.00 N ATOM 740 CA ALA A 46 50.122 2.461 1.112 1.00 0.00 C ATOM 741 C ALA A 46 49.179 1.553 0.322 1.00 0.00 C ATOM 742 O ALA A 46 48.845 0.466 0.756 1.00 0.00 O ATOM 743 CB ALA A 46 51.580 2.214 0.705 1.00 0.00 C ATOM 0 H ALA A 46 50.463 1.196 2.795 1.00 0.00 H new ATOM 0 HA ALA A 46 49.797 3.483 0.914 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.706 2.440 -0.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.236 2.856 1.294 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.836 1.170 0.886 1.00 0.00 H new ATOM 749 N ARG A 47 48.753 1.991 -0.836 1.00 0.00 N ATOM 750 CA ARG A 47 47.834 1.154 -1.660 1.00 0.00 C ATOM 751 C ARG A 47 48.564 0.623 -2.890 1.00 0.00 C ATOM 752 O ARG A 47 49.576 1.159 -3.301 1.00 0.00 O ATOM 753 CB ARG A 47 46.702 2.085 -2.083 1.00 0.00 C ATOM 754 CG ARG A 47 45.847 2.442 -0.866 1.00 0.00 C ATOM 755 CD ARG A 47 45.428 3.915 -0.942 1.00 0.00 C ATOM 756 NE ARG A 47 43.975 3.921 -0.614 1.00 0.00 N ATOM 757 CZ ARG A 47 43.094 4.109 -1.559 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.873 3.170 -2.439 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.433 5.232 -1.623 1.00 0.00 N ATOM 0 H ARG A 47 49.003 2.892 -1.245 1.00 0.00 H new ATOM 0 HA ARG A 47 47.465 0.292 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.111 2.991 -2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.087 1.604 -2.843 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.964 1.804 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.408 2.261 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.994 4.523 -0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.610 4.326 -1.935 1.00 0.00 H new ATOM 0 HE ARG A 47 43.669 3.778 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.388 2.291 -2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.185 3.315 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.604 5.965 -0.934 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.745 5.377 -2.362 1.00 0.00 H new ATOM 773 N ASP A 48 48.056 -0.426 -3.475 1.00 0.00 N ATOM 774 CA ASP A 48 48.708 -1.006 -4.679 1.00 0.00 C ATOM 775 C ASP A 48 47.891 -0.686 -5.938 1.00 0.00 C ATOM 776 O ASP A 48 47.101 0.239 -5.955 1.00 0.00 O ATOM 777 CB ASP A 48 48.748 -2.514 -4.407 1.00 0.00 C ATOM 778 CG ASP A 48 47.327 -3.060 -4.233 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.637 -2.593 -3.342 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.955 -3.939 -4.994 1.00 0.00 O ATOM 0 H ASP A 48 47.212 -0.908 -3.167 1.00 0.00 H new ATOM 0 HA ASP A 48 49.704 -0.600 -4.855 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.243 -3.026 -5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.334 -2.713 -3.510 1.00 0.00 H new ATOM 785 N LYS A 49 48.083 -1.443 -6.988 1.00 0.00 N ATOM 786 CA LYS A 49 47.326 -1.186 -8.255 1.00 0.00 C ATOM 787 C LYS A 49 45.876 -1.682 -8.149 1.00 0.00 C ATOM 788 O LYS A 49 45.074 -1.437 -9.032 1.00 0.00 O ATOM 789 CB LYS A 49 48.079 -1.969 -9.333 1.00 0.00 C ATOM 790 CG LYS A 49 49.490 -1.399 -9.486 1.00 0.00 C ATOM 791 CD LYS A 49 49.429 -0.089 -10.274 1.00 0.00 C ATOM 792 CE LYS A 49 49.378 -0.395 -11.773 1.00 0.00 C ATOM 793 NZ LYS A 49 50.799 -0.378 -12.217 1.00 0.00 N ATOM 0 H LYS A 49 48.732 -2.229 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 49 47.269 -0.121 -8.478 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.129 -3.024 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.546 -1.907 -10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.932 -1.225 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.129 -2.116 -10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 49 48.550 0.484 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.301 0.525 -10.047 1.00 0.00 H new ATOM 0 HE2 LYS A 49 48.917 -1.364 -11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.788 0.349 -12.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 50.847 -0.580 -13.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 51.210 0.559 -12.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 51.334 -1.101 -11.695 1.00 0.00 H new ATOM 807 N ASN A 50 45.529 -2.376 -7.090 1.00 0.00 N ATOM 808 CA ASN A 50 44.134 -2.883 -6.946 1.00 0.00 C ATOM 809 C ASN A 50 43.235 -1.845 -6.257 1.00 0.00 C ATOM 810 O ASN A 50 42.139 -2.159 -5.832 1.00 0.00 O ATOM 811 CB ASN A 50 44.255 -4.138 -6.084 1.00 0.00 C ATOM 812 CG ASN A 50 45.111 -5.179 -6.810 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.191 -5.177 -8.023 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.760 -6.073 -6.116 1.00 0.00 N ATOM 0 H ASN A 50 46.156 -2.611 -6.320 1.00 0.00 H new ATOM 0 HA ASN A 50 43.680 -3.088 -7.915 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.705 -3.889 -5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.266 -4.546 -5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.334 -6.770 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 50 45.693 -6.075 -5.098 1.00 0.00 H new ATOM 821 N GLY A 51 43.682 -0.616 -6.141 1.00 0.00 N ATOM 822 CA GLY A 51 42.846 0.433 -5.480 1.00 0.00 C ATOM 823 C GLY A 51 42.552 0.028 -4.032 1.00 0.00 C ATOM 824 O GLY A 51 41.549 0.419 -3.464 1.00 0.00 O ATOM 0 H GLY A 51 44.591 -0.296 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.365 1.391 -5.501 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.912 0.565 -6.027 1.00 0.00 H new ATOM 828 N GLN A 52 43.418 -0.752 -3.434 1.00 0.00 N ATOM 829 CA GLN A 52 43.193 -1.185 -2.023 1.00 0.00 C ATOM 830 C GLN A 52 44.344 -0.710 -1.134 1.00 0.00 C ATOM 831 O GLN A 52 45.474 -0.606 -1.572 1.00 0.00 O ATOM 832 CB GLN A 52 43.155 -2.713 -2.082 1.00 0.00 C ATOM 833 CG GLN A 52 41.716 -3.180 -2.313 1.00 0.00 C ATOM 834 CD GLN A 52 41.670 -4.710 -2.314 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.134 -5.313 -1.406 1.00 0.00 O ATOM 836 NE2 GLN A 52 42.213 -5.365 -3.302 1.00 0.00 N ATOM 0 H GLN A 52 44.272 -1.107 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 52 42.277 -0.769 -1.603 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.798 -3.072 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.540 -3.133 -1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.065 -2.786 -1.532 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.345 -2.794 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 52 42.663 -4.858 -4.064 1.00 0.00 H new ATOM 0 HE22 GLN A 52 42.188 -6.385 -3.313 1.00 0.00 H new ATOM 845 N GLU A 53 44.062 -0.421 0.112 1.00 0.00 N ATOM 846 CA GLU A 53 45.135 0.049 1.039 1.00 0.00 C ATOM 847 C GLU A 53 45.492 -1.052 2.042 1.00 0.00 C ATOM 848 O GLU A 53 44.652 -1.843 2.429 1.00 0.00 O ATOM 849 CB GLU A 53 44.542 1.269 1.759 1.00 0.00 C ATOM 850 CG GLU A 53 43.268 0.872 2.512 1.00 0.00 C ATOM 851 CD GLU A 53 42.916 1.960 3.529 1.00 0.00 C ATOM 852 OE1 GLU A 53 43.811 2.392 4.237 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.759 2.341 3.583 1.00 0.00 O ATOM 0 H GLU A 53 43.133 -0.491 0.527 1.00 0.00 H new ATOM 0 HA GLU A 53 46.053 0.301 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.272 1.679 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.316 2.053 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.445 0.736 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.415 -0.081 3.020 1.00 0.00 H new ATOM 860 N GLY A 54 46.728 -1.102 2.468 1.00 0.00 N ATOM 861 CA GLY A 54 47.143 -2.144 3.454 1.00 0.00 C ATOM 862 C GLY A 54 48.388 -1.651 4.184 1.00 0.00 C ATOM 863 O GLY A 54 48.583 -0.459 4.333 1.00 0.00 O ATOM 0 H GLY A 54 47.469 -0.465 2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.338 -2.335 4.164 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.350 -3.086 2.945 1.00 0.00 H new ATOM 867 N TYR A 55 49.228 -2.545 4.652 1.00 0.00 N ATOM 868 CA TYR A 55 50.447 -2.090 5.383 1.00 0.00 C ATOM 869 C TYR A 55 51.742 -2.556 4.706 1.00 0.00 C ATOM 870 O TYR A 55 51.861 -3.678 4.253 1.00 0.00 O ATOM 871 CB TYR A 55 50.327 -2.683 6.789 1.00 0.00 C ATOM 872 CG TYR A 55 49.222 -1.983 7.548 1.00 0.00 C ATOM 873 CD1 TYR A 55 47.886 -2.171 7.175 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.534 -1.150 8.630 1.00 0.00 C ATOM 875 CE1 TYR A 55 46.863 -1.526 7.880 1.00 0.00 C ATOM 876 CE2 TYR A 55 48.510 -0.504 9.335 1.00 0.00 C ATOM 877 CZ TYR A 55 47.175 -0.693 8.960 1.00 0.00 C ATOM 878 OH TYR A 55 46.166 -0.058 9.655 1.00 0.00 O ATOM 0 H TYR A 55 49.122 -3.555 4.560 1.00 0.00 H new ATOM 0 HA TYR A 55 50.503 -1.002 5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.118 -3.751 6.726 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.272 -2.574 7.321 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.644 -2.815 6.342 1.00 0.00 H new ATOM 0 HD2 TYR A 55 50.564 -1.006 8.921 1.00 0.00 H new ATOM 0 HE1 TYR A 55 45.833 -1.671 7.590 1.00 0.00 H new ATOM 0 HE2 TYR A 55 48.751 0.140 10.168 1.00 0.00 H new ATOM 0 HH TYR A 55 46.554 0.481 10.375 1.00 0.00 H new ATOM 888 N ILE A 56 52.711 -1.674 4.638 1.00 0.00 N ATOM 889 CA ILE A 56 54.023 -2.011 3.994 1.00 0.00 C ATOM 890 C ILE A 56 55.184 -1.795 4.990 1.00 0.00 C ATOM 891 O ILE A 56 55.330 -0.699 5.493 1.00 0.00 O ATOM 892 CB ILE A 56 54.193 -0.994 2.842 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.900 -0.802 2.027 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.301 -1.457 1.918 1.00 0.00 C ATOM 895 CD1 ILE A 56 52.252 -2.145 1.708 1.00 0.00 C ATOM 0 H ILE A 56 52.649 -0.724 5.005 1.00 0.00 H new ATOM 0 HA ILE A 56 54.036 -3.049 3.660 1.00 0.00 H new ATOM 0 HB ILE A 56 54.443 -0.034 3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.201 -0.181 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 56 53.125 -0.273 1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.421 -0.740 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 56 56.234 -1.531 2.477 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.047 -2.433 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 56 51.341 -1.982 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 56 52.944 -2.754 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 56 52.007 -2.660 2.637 1.00 0.00 H new ATOM 907 N PRO A 57 56.014 -2.804 5.235 1.00 0.00 N ATOM 908 CA PRO A 57 57.165 -2.600 6.151 1.00 0.00 C ATOM 909 C PRO A 57 58.095 -1.529 5.557 1.00 0.00 C ATOM 910 O PRO A 57 58.368 -1.528 4.371 1.00 0.00 O ATOM 911 CB PRO A 57 57.825 -3.983 6.189 1.00 0.00 C ATOM 912 CG PRO A 57 57.008 -4.944 5.302 1.00 0.00 C ATOM 913 CD PRO A 57 55.868 -4.160 4.639 1.00 0.00 C ATOM 0 HA PRO A 57 56.900 -2.250 7.149 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.853 -3.921 5.832 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.865 -4.355 7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.649 -5.392 4.543 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.605 -5.760 5.902 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.969 -4.138 3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.894 -4.597 4.860 1.00 0.00 H new ATOM 921 N SER A 58 58.542 -0.598 6.361 1.00 0.00 N ATOM 922 CA SER A 58 59.413 0.506 5.834 1.00 0.00 C ATOM 923 C SER A 58 60.709 -0.023 5.203 1.00 0.00 C ATOM 924 O SER A 58 61.390 0.699 4.497 1.00 0.00 O ATOM 925 CB SER A 58 59.736 1.374 7.051 1.00 0.00 C ATOM 926 OG SER A 58 60.230 0.550 8.098 1.00 0.00 O ATOM 0 H SER A 58 58.344 -0.551 7.360 1.00 0.00 H new ATOM 0 HA SER A 58 58.902 1.056 5.044 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.476 2.129 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.843 1.905 7.381 1.00 0.00 H new ATOM 0 HG SER A 58 59.479 0.201 8.622 1.00 0.00 H new ATOM 932 N ASN A 59 61.069 -1.255 5.458 1.00 0.00 N ATOM 933 CA ASN A 59 62.334 -1.800 4.880 1.00 0.00 C ATOM 934 C ASN A 59 62.062 -2.577 3.588 1.00 0.00 C ATOM 935 O ASN A 59 62.825 -2.530 2.642 1.00 0.00 O ATOM 936 CB ASN A 59 62.878 -2.718 5.981 1.00 0.00 C ATOM 937 CG ASN A 59 61.998 -3.964 6.152 1.00 0.00 C ATOM 938 OD1 ASN A 59 61.006 -3.936 6.999 1.00 0.00 O flip ATOM 939 ND2 ASN A 59 62.220 -4.971 5.509 1.00 0.00 N flip ATOM 0 H ASN A 59 60.543 -1.906 6.041 1.00 0.00 H new ATOM 0 HA ASN A 59 63.041 -1.018 4.604 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.896 -3.020 5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.926 -2.171 6.923 1.00 0.00 H new ATOM 0 HD21 ASN A 59 62.996 -4.993 4.847 1.00 0.00 H new ATOM 0 HD22 ASN A 59 61.631 -5.795 5.631 1.00 0.00 H new ATOM 946 N TYR A 60 60.989 -3.308 3.568 1.00 0.00 N ATOM 947 CA TYR A 60 60.643 -4.134 2.366 1.00 0.00 C ATOM 948 C TYR A 60 60.426 -3.271 1.115 1.00 0.00 C ATOM 949 O TYR A 60 60.396 -3.786 0.012 1.00 0.00 O ATOM 950 CB TYR A 60 59.342 -4.845 2.735 1.00 0.00 C ATOM 951 CG TYR A 60 59.651 -6.201 3.324 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.982 -6.318 4.678 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.606 -7.342 2.514 1.00 0.00 C ATOM 954 CE1 TYR A 60 60.268 -7.576 5.223 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.892 -8.599 3.057 1.00 0.00 C ATOM 956 CZ TYR A 60 60.223 -8.716 4.413 1.00 0.00 C ATOM 957 OH TYR A 60 60.506 -9.955 4.949 1.00 0.00 O ATOM 0 H TYR A 60 60.324 -3.375 4.338 1.00 0.00 H new ATOM 0 HA TYR A 60 61.453 -4.822 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.780 -4.246 3.452 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.714 -4.957 1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.017 -5.438 5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 60 59.350 -7.252 1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.523 -7.666 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.858 -9.479 2.431 1.00 0.00 H new ATOM 0 HH TYR A 60 60.428 -10.639 4.251 1.00 0.00 H new ATOM 967 N VAL A 61 60.260 -1.980 1.262 1.00 0.00 N ATOM 968 CA VAL A 61 60.028 -1.121 0.053 1.00 0.00 C ATOM 969 C VAL A 61 60.964 0.085 0.024 1.00 0.00 C ATOM 970 O VAL A 61 61.590 0.435 1.005 1.00 0.00 O ATOM 971 CB VAL A 61 58.578 -0.638 0.152 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.629 -1.833 0.052 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.356 0.082 1.486 1.00 0.00 C ATOM 0 H VAL A 61 60.274 -1.486 2.154 1.00 0.00 H new ATOM 0 HA VAL A 61 60.219 -1.691 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 61 58.378 0.054 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.598 -1.486 0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.778 -2.337 -0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.834 -2.529 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.322 0.422 1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.563 -0.603 2.308 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.025 0.940 1.552 1.00 0.00 H new ATOM 983 N THR A 62 61.029 0.733 -1.109 1.00 0.00 N ATOM 984 CA THR A 62 61.885 1.941 -1.251 1.00 0.00 C ATOM 985 C THR A 62 61.101 3.001 -2.038 1.00 0.00 C ATOM 986 O THR A 62 59.891 3.071 -1.940 1.00 0.00 O ATOM 987 CB THR A 62 63.131 1.467 -2.014 1.00 0.00 C ATOM 988 OG1 THR A 62 64.016 2.564 -2.194 1.00 0.00 O ATOM 989 CG2 THR A 62 62.733 0.905 -3.382 1.00 0.00 C ATOM 0 H THR A 62 60.517 0.471 -1.952 1.00 0.00 H new ATOM 0 HA THR A 62 62.171 2.389 -0.300 1.00 0.00 H new ATOM 0 HB THR A 62 63.624 0.683 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 62 63.856 3.231 -1.494 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.625 0.573 -3.912 1.00 0.00 H new ATOM 0 HG22 THR A 62 62.056 0.061 -3.246 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.234 1.681 -3.963 1.00 0.00 H new ATOM 997 N GLU A 63 61.762 3.815 -2.818 1.00 0.00 N ATOM 998 CA GLU A 63 61.033 4.851 -3.607 1.00 0.00 C ATOM 999 C GLU A 63 60.491 4.238 -4.899 1.00 0.00 C ATOM 1000 O GLU A 63 61.054 3.301 -5.434 1.00 0.00 O ATOM 1001 CB GLU A 63 62.072 5.930 -3.912 1.00 0.00 C ATOM 1002 CG GLU A 63 61.362 7.231 -4.289 1.00 0.00 C ATOM 1003 CD GLU A 63 62.391 8.355 -4.427 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.148 8.557 -3.491 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.404 8.994 -5.466 1.00 0.00 O ATOM 0 H GLU A 63 62.774 3.807 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 63 60.179 5.259 -3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 63 62.711 6.091 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.719 5.607 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 63 60.820 7.103 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 63 60.626 7.489 -3.528 1.00 0.00 H new ATOM 1012 N ALA A 64 59.398 4.758 -5.400 1.00 0.00 N ATOM 1013 CA ALA A 64 58.806 4.205 -6.659 1.00 0.00 C ATOM 1014 C ALA A 64 59.822 4.304 -7.806 1.00 0.00 C ATOM 1015 O ALA A 64 60.993 4.553 -7.584 1.00 0.00 O ATOM 1016 CB ALA A 64 57.588 5.081 -6.945 1.00 0.00 C ATOM 0 H ALA A 64 58.889 5.542 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 64 58.535 3.154 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.098 4.737 -7.856 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.889 5.016 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.906 6.116 -7.072 1.00 0.00 H new