USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 569 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 82 CYS SG : rot 143:sc= 0.874 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 152:sc= -0.414 (180deg=-0.708) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0.00238 USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= 0.382 (180deg=0.106) USER MOD Single : A 25 GLN : amide:sc= 0.489 K(o=0.49,f=-0.04) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.422 X(o=0.42,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.0389) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HE2:sc= 0.32 K(o=0.32,f=-1.3) USER MOD Single : A 46 GLN :FLIP amide:sc= -1.2 F(o=-1.8,f=-1.2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0.526 K(o=0.53,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.42 K(o=-1.4,f=-2.8) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -0.298 (180deg=-0.45) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 91:sc= 0.968 USER MOD Single : A 81 SER OG : rot 75:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 182 N LYS A 16 -9.801 -0.840 -5.086 1.00 0.00 N ATOM 183 CA LYS A 16 -9.852 -0.284 -6.438 1.00 0.00 C ATOM 184 C LYS A 16 -8.629 -0.784 -7.199 1.00 0.00 C ATOM 185 O LYS A 16 -7.615 -1.068 -6.554 1.00 0.00 O ATOM 186 CB LYS A 16 -9.820 1.261 -6.384 1.00 0.00 C ATOM 187 CG LYS A 16 -11.058 1.961 -6.958 1.00 0.00 C ATOM 188 CD LYS A 16 -12.369 1.567 -6.278 1.00 0.00 C ATOM 189 CE LYS A 16 -12.487 2.230 -4.899 1.00 0.00 C ATOM 190 NZ LYS A 16 -12.962 3.617 -5.028 1.00 0.00 N ATOM 0 HA LYS A 16 -10.772 -0.596 -6.932 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.697 1.570 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.941 1.609 -6.927 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -10.926 3.039 -6.871 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.130 1.734 -8.022 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.212 1.864 -6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.417 0.483 -6.171 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.175 1.661 -4.274 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.518 2.217 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.035 4.048 -4.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.291 4.161 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.896 3.623 -5.485 1.00 0.00 H new ATOM 204 N PRO A 17 -8.687 -0.906 -8.535 1.00 0.00 N ATOM 205 CA PRO A 17 -7.553 -1.334 -9.337 1.00 0.00 C ATOM 206 C PRO A 17 -6.480 -0.245 -9.248 1.00 0.00 C ATOM 207 O PRO A 17 -6.761 0.888 -8.848 1.00 0.00 O ATOM 208 CB PRO A 17 -8.094 -1.515 -10.760 1.00 0.00 C ATOM 209 CG PRO A 17 -9.291 -0.567 -10.807 1.00 0.00 C ATOM 210 CD PRO A 17 -9.819 -0.611 -9.387 1.00 0.00 C ATOM 0 HA PRO A 17 -7.099 -2.267 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.347 -1.256 -11.510 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.391 -2.547 -10.949 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.996 0.442 -11.096 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.040 -0.898 -11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.273 0.341 -9.113 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -10.591 -1.374 -9.284 1.00 0.00 H new ATOM 218 N MET A 18 -5.250 -0.561 -9.640 1.00 0.00 N ATOM 219 CA MET A 18 -4.133 0.376 -9.596 1.00 0.00 C ATOM 220 C MET A 18 -3.568 0.445 -11.004 1.00 0.00 C ATOM 221 O MET A 18 -3.203 -0.582 -11.579 1.00 0.00 O ATOM 222 CB MET A 18 -3.098 -0.078 -8.561 1.00 0.00 C ATOM 223 CG MET A 18 -3.725 -0.305 -7.178 1.00 0.00 C ATOM 224 SD MET A 18 -4.342 1.132 -6.257 1.00 0.00 S ATOM 225 CE MET A 18 -2.787 1.737 -5.549 1.00 0.00 C ATOM 0 H MET A 18 -4.998 -1.482 -10.000 1.00 0.00 H new ATOM 0 HA MET A 18 -4.447 1.371 -9.282 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.627 -1.000 -8.901 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.311 0.672 -8.483 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.555 -1.000 -7.301 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.982 -0.803 -6.555 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.854 2.813 -5.389 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.603 1.240 -4.597 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.967 1.523 -6.235 1.00 0.00 H new ATOM 235 N SER A 19 -3.588 1.635 -11.591 1.00 0.00 N ATOM 236 CA SER A 19 -3.087 1.847 -12.941 1.00 0.00 C ATOM 237 C SER A 19 -1.560 1.757 -12.942 1.00 0.00 C ATOM 238 O SER A 19 -0.925 1.905 -11.899 1.00 0.00 O ATOM 239 CB SER A 19 -3.576 3.212 -13.447 1.00 0.00 C ATOM 240 OG SER A 19 -3.342 3.360 -14.835 1.00 0.00 O ATOM 0 H SER A 19 -3.951 2.478 -11.145 1.00 0.00 H new ATOM 0 HA SER A 19 -3.465 1.077 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.641 3.318 -13.242 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.067 4.008 -12.903 1.00 0.00 H new ATOM 0 HG SER A 19 -3.665 4.237 -15.129 1.00 0.00 H new ATOM 246 N TYR A 20 -0.960 1.514 -14.107 1.00 0.00 N ATOM 247 CA TYR A 20 0.489 1.445 -14.265 1.00 0.00 C ATOM 248 C TYR A 20 1.100 2.778 -13.829 1.00 0.00 C ATOM 249 O TYR A 20 2.168 2.817 -13.222 1.00 0.00 O ATOM 250 CB TYR A 20 0.805 1.168 -15.734 1.00 0.00 C ATOM 251 CG TYR A 20 2.259 1.350 -16.093 1.00 0.00 C ATOM 252 CD1 TYR A 20 3.209 0.428 -15.630 1.00 0.00 C ATOM 253 CD2 TYR A 20 2.669 2.476 -16.828 1.00 0.00 C ATOM 254 CE1 TYR A 20 4.564 0.613 -15.930 1.00 0.00 C ATOM 255 CE2 TYR A 20 4.024 2.663 -17.139 1.00 0.00 C ATOM 256 CZ TYR A 20 4.978 1.726 -16.696 1.00 0.00 C ATOM 257 OH TYR A 20 6.292 1.896 -16.995 1.00 0.00 O ATOM 0 H TYR A 20 -1.473 1.358 -14.975 1.00 0.00 H new ATOM 0 HA TYR A 20 0.907 0.648 -13.651 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.507 0.147 -15.973 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.202 1.830 -16.356 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.896 -0.423 -15.043 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.938 3.200 -17.155 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.296 -0.098 -15.575 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.335 3.522 -17.716 1.00 0.00 H new ATOM 0 HH TYR A 20 6.403 2.710 -17.529 1.00 0.00 H new ATOM 267 N GLU A 21 0.385 3.863 -14.123 1.00 0.00 N ATOM 268 CA GLU A 21 0.767 5.223 -13.800 1.00 0.00 C ATOM 269 C GLU A 21 0.891 5.375 -12.279 1.00 0.00 C ATOM 270 O GLU A 21 1.801 6.049 -11.800 1.00 0.00 O ATOM 271 CB GLU A 21 -0.320 6.166 -14.344 1.00 0.00 C ATOM 272 CG GLU A 21 -0.508 6.096 -15.869 1.00 0.00 C ATOM 273 CD GLU A 21 -1.851 6.696 -16.291 1.00 0.00 C ATOM 274 OE1 GLU A 21 -2.052 7.928 -16.167 1.00 0.00 O ATOM 275 OE2 GLU A 21 -2.719 5.923 -16.761 1.00 0.00 O ATOM 0 H GLU A 21 -0.509 3.809 -14.611 1.00 0.00 H new ATOM 0 HA GLU A 21 1.729 5.468 -14.249 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.267 5.927 -13.861 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.069 7.190 -14.066 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.303 6.631 -16.363 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.451 5.058 -16.197 1.00 0.00 H new ATOM 282 N GLU A 22 -0.027 4.754 -11.531 1.00 0.00 N ATOM 283 CA GLU A 22 -0.074 4.785 -10.074 1.00 0.00 C ATOM 284 C GLU A 22 1.006 3.858 -9.523 1.00 0.00 C ATOM 285 O GLU A 22 1.671 4.184 -8.548 1.00 0.00 O ATOM 286 CB GLU A 22 -1.464 4.344 -9.579 1.00 0.00 C ATOM 287 CG GLU A 22 -2.611 5.275 -10.002 1.00 0.00 C ATOM 288 CD GLU A 22 -2.595 6.617 -9.261 1.00 0.00 C ATOM 289 OE1 GLU A 22 -2.909 6.612 -8.049 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.323 7.662 -9.896 1.00 0.00 O ATOM 0 H GLU A 22 -0.779 4.200 -11.940 1.00 0.00 H new ATOM 0 HA GLU A 22 0.107 5.801 -9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.669 3.341 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.446 4.280 -8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.547 5.457 -11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.563 4.776 -9.819 1.00 0.00 H new ATOM 297 N LYS A 23 1.204 2.681 -10.119 1.00 0.00 N ATOM 298 CA LYS A 23 2.218 1.729 -9.667 1.00 0.00 C ATOM 299 C LYS A 23 3.589 2.391 -9.725 1.00 0.00 C ATOM 300 O LYS A 23 4.343 2.357 -8.754 1.00 0.00 O ATOM 301 CB LYS A 23 2.133 0.488 -10.545 1.00 0.00 C ATOM 302 CG LYS A 23 0.863 -0.294 -10.204 1.00 0.00 C ATOM 303 CD LYS A 23 0.580 -1.308 -11.297 1.00 0.00 C ATOM 304 CE LYS A 23 -0.517 -2.261 -10.832 1.00 0.00 C ATOM 305 NZ LYS A 23 -0.500 -3.512 -11.608 1.00 0.00 N ATOM 0 H LYS A 23 0.668 2.362 -10.926 1.00 0.00 H new ATOM 0 HA LYS A 23 2.049 1.426 -8.633 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.125 0.774 -11.597 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.011 -0.139 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.982 -0.801 -9.246 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.020 0.389 -10.101 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.272 -0.799 -12.210 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.486 -1.866 -11.534 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.383 -2.485 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.489 -1.779 -10.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.447 -3.942 -11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.228 -3.307 -12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.186 -4.171 -11.189 1.00 0.00 H new ATOM 319 N ARG A 24 3.907 2.995 -10.871 1.00 0.00 N ATOM 320 CA ARG A 24 5.161 3.698 -11.068 1.00 0.00 C ATOM 321 C ARG A 24 5.239 4.842 -10.071 1.00 0.00 C ATOM 322 O ARG A 24 6.265 4.944 -9.407 1.00 0.00 O ATOM 323 CB ARG A 24 5.294 4.206 -12.514 1.00 0.00 C ATOM 324 CG ARG A 24 5.689 3.100 -13.505 1.00 0.00 C ATOM 325 CD ARG A 24 7.125 2.608 -13.258 1.00 0.00 C ATOM 326 NE ARG A 24 7.572 1.697 -14.317 1.00 0.00 N ATOM 327 CZ ARG A 24 7.668 0.371 -14.238 1.00 0.00 C ATOM 328 NH1 ARG A 24 7.689 -0.231 -13.058 1.00 0.00 N ATOM 329 NH2 ARG A 24 7.755 -0.355 -15.348 1.00 0.00 N ATOM 0 H ARG A 24 3.295 3.006 -11.687 1.00 0.00 H new ATOM 0 HA ARG A 24 5.992 3.013 -10.899 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.347 4.646 -12.827 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.040 5.000 -12.547 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.996 2.264 -13.413 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.602 3.476 -14.525 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.799 3.463 -13.204 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.176 2.100 -12.295 1.00 0.00 H new ATOM 0 HE ARG A 24 7.837 2.123 -15.205 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.631 0.321 -12.203 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.763 -1.247 -13.005 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.748 0.104 -16.259 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.829 -1.371 -15.289 1.00 0.00 H new ATOM 343 N GLN A 25 4.199 5.671 -9.938 1.00 0.00 N ATOM 344 CA GLN A 25 4.212 6.792 -9.005 1.00 0.00 C ATOM 345 C GLN A 25 4.596 6.339 -7.591 1.00 0.00 C ATOM 346 O GLN A 25 5.396 7.012 -6.936 1.00 0.00 O ATOM 347 CB GLN A 25 2.855 7.511 -9.034 1.00 0.00 C ATOM 348 CG GLN A 25 2.782 8.667 -8.025 1.00 0.00 C ATOM 349 CD GLN A 25 3.756 9.792 -8.376 1.00 0.00 C ATOM 350 OE1 GLN A 25 3.406 10.717 -9.109 1.00 0.00 O ATOM 351 NE2 GLN A 25 4.988 9.729 -7.900 1.00 0.00 N ATOM 0 H GLN A 25 3.334 5.582 -10.471 1.00 0.00 H new ATOM 0 HA GLN A 25 4.977 7.502 -9.319 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.673 7.896 -10.037 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.063 6.794 -8.819 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.766 9.061 -7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.005 8.292 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.262 8.956 -7.294 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.665 10.454 -8.139 1.00 0.00 H new ATOM 360 N LEU A 26 4.070 5.203 -7.133 1.00 0.00 N ATOM 361 CA LEU A 26 4.364 4.658 -5.812 1.00 0.00 C ATOM 362 C LEU A 26 5.864 4.366 -5.705 1.00 0.00 C ATOM 363 O LEU A 26 6.493 4.696 -4.702 1.00 0.00 O ATOM 364 CB LEU A 26 3.513 3.395 -5.597 1.00 0.00 C ATOM 365 CG LEU A 26 2.963 3.275 -4.170 1.00 0.00 C ATOM 366 CD1 LEU A 26 1.805 2.274 -4.178 1.00 0.00 C ATOM 367 CD2 LEU A 26 3.985 2.846 -3.126 1.00 0.00 C ATOM 0 H LEU A 26 3.422 4.632 -7.675 1.00 0.00 H new ATOM 0 HA LEU A 26 4.112 5.375 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.681 3.401 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.116 2.515 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 26 2.644 4.276 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.402 2.176 -3.170 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.023 2.628 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.165 1.304 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.505 2.789 -2.149 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.387 1.868 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.796 3.574 -3.090 1.00 0.00 H new ATOM 379 N SER A 27 6.429 3.758 -6.751 1.00 0.00 N ATOM 380 CA SER A 27 7.840 3.401 -6.868 1.00 0.00 C ATOM 381 C SER A 27 8.709 4.670 -6.770 1.00 0.00 C ATOM 382 O SER A 27 9.763 4.658 -6.122 1.00 0.00 O ATOM 383 CB SER A 27 8.024 2.653 -8.198 1.00 0.00 C ATOM 384 OG SER A 27 9.141 1.787 -8.222 1.00 0.00 O ATOM 0 H SER A 27 5.889 3.491 -7.574 1.00 0.00 H new ATOM 0 HA SER A 27 8.158 2.747 -6.056 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.124 2.074 -8.405 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.125 3.382 -9.002 1.00 0.00 H new ATOM 0 HG SER A 27 9.194 1.345 -9.095 1.00 0.00 H new ATOM 390 N LEU A 28 8.277 5.782 -7.382 1.00 0.00 N ATOM 391 CA LEU A 28 8.996 7.042 -7.342 1.00 0.00 C ATOM 392 C LEU A 28 9.001 7.580 -5.916 1.00 0.00 C ATOM 393 O LEU A 28 10.046 8.033 -5.463 1.00 0.00 O ATOM 394 CB LEU A 28 8.323 8.068 -8.268 1.00 0.00 C ATOM 395 CG LEU A 28 8.757 8.044 -9.737 1.00 0.00 C ATOM 396 CD1 LEU A 28 10.207 8.485 -9.900 1.00 0.00 C ATOM 397 CD2 LEU A 28 8.543 6.723 -10.475 1.00 0.00 C ATOM 0 H LEU A 28 7.411 5.822 -7.920 1.00 0.00 H new ATOM 0 HA LEU A 28 10.019 6.875 -7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.245 7.910 -8.227 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.515 9.065 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 28 8.083 8.759 -10.209 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.480 8.455 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.323 9.501 -9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.857 7.814 -9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.886 6.822 -11.505 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.108 5.934 -9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.483 6.470 -10.468 1.00 0.00 H new ATOM 409 N ASP A 29 7.861 7.558 -5.216 1.00 0.00 N ATOM 410 CA ASP A 29 7.777 8.064 -3.841 1.00 0.00 C ATOM 411 C ASP A 29 8.591 7.187 -2.892 1.00 0.00 C ATOM 412 O ASP A 29 9.236 7.693 -1.976 1.00 0.00 O ATOM 413 CB ASP A 29 6.304 8.251 -3.381 1.00 0.00 C ATOM 414 CG ASP A 29 5.973 9.718 -3.024 1.00 0.00 C ATOM 415 OD1 ASP A 29 6.764 10.642 -3.349 1.00 0.00 O ATOM 416 OD2 ASP A 29 4.933 9.945 -2.371 1.00 0.00 O ATOM 0 H ASP A 29 6.981 7.194 -5.581 1.00 0.00 H new ATOM 0 HA ASP A 29 8.222 9.059 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.635 7.914 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.115 7.619 -2.513 1.00 0.00 H new ATOM 421 N ILE A 30 8.640 5.878 -3.135 1.00 0.00 N ATOM 422 CA ILE A 30 9.389 4.916 -2.331 1.00 0.00 C ATOM 423 C ILE A 30 10.862 5.315 -2.258 1.00 0.00 C ATOM 424 O ILE A 30 11.481 5.251 -1.192 1.00 0.00 O ATOM 425 CB ILE A 30 9.143 3.499 -2.904 1.00 0.00 C ATOM 426 CG1 ILE A 30 7.894 2.946 -2.200 1.00 0.00 C ATOM 427 CG2 ILE A 30 10.325 2.523 -2.789 1.00 0.00 C ATOM 428 CD1 ILE A 30 7.233 1.809 -2.965 1.00 0.00 C ATOM 0 H ILE A 30 8.147 5.447 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 30 9.043 4.911 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 30 9.006 3.594 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.170 2.595 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.173 3.752 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.046 1.561 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.183 2.926 -3.326 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.585 2.388 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.357 1.462 -2.416 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.928 2.162 -3.950 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.940 0.987 -3.077 1.00 0.00 H new ATOM 440 N ASN A 31 11.431 5.761 -3.376 1.00 0.00 N ATOM 441 CA ASN A 31 12.829 6.167 -3.436 1.00 0.00 C ATOM 442 C ASN A 31 13.117 7.471 -2.683 1.00 0.00 C ATOM 443 O ASN A 31 14.275 7.870 -2.581 1.00 0.00 O ATOM 444 CB ASN A 31 13.278 6.209 -4.896 1.00 0.00 C ATOM 445 CG ASN A 31 13.583 4.800 -5.369 1.00 0.00 C ATOM 446 OD1 ASN A 31 14.636 4.260 -5.046 1.00 0.00 O ATOM 447 ND2 ASN A 31 12.670 4.137 -6.057 1.00 0.00 N ATOM 0 H ASN A 31 10.935 5.850 -4.263 1.00 0.00 H new ATOM 0 HA ASN A 31 13.424 5.421 -2.909 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.498 6.652 -5.515 1.00 0.00 H new ATOM 0 HB3 ASN A 31 14.162 6.838 -4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.838 3.167 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.798 4.595 -6.321 1.00 0.00 H new ATOM 454 N LYS A 32 12.101 8.146 -2.137 1.00 0.00 N ATOM 455 CA LYS A 32 12.243 9.391 -1.378 1.00 0.00 C ATOM 456 C LYS A 32 12.272 9.112 0.128 1.00 0.00 C ATOM 457 O LYS A 32 12.337 10.063 0.916 1.00 0.00 O ATOM 458 CB LYS A 32 11.084 10.351 -1.705 1.00 0.00 C ATOM 459 CG LYS A 32 10.740 10.458 -3.197 1.00 0.00 C ATOM 460 CD LYS A 32 11.834 11.045 -4.092 1.00 0.00 C ATOM 461 CE LYS A 32 11.876 12.567 -3.941 1.00 0.00 C ATOM 462 NZ LYS A 32 12.949 13.042 -3.039 1.00 0.00 N ATOM 0 H LYS A 32 11.133 7.833 -2.213 1.00 0.00 H new ATOM 0 HA LYS A 32 13.187 9.855 -1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.196 10.024 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.337 11.344 -1.332 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.491 9.463 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.844 11.070 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.801 10.618 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.645 10.780 -5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.013 13.018 -4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.914 12.913 -3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.753 14.022 -2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.987 12.436 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.862 13.002 -3.535 1.00 0.00 H new ATOM 476 N LEU A 33 12.154 7.848 0.543 1.00 0.00 N ATOM 477 CA LEU A 33 12.170 7.452 1.944 1.00 0.00 C ATOM 478 C LEU A 33 13.589 7.031 2.311 1.00 0.00 C ATOM 479 O LEU A 33 14.263 6.415 1.481 1.00 0.00 O ATOM 480 CB LEU A 33 11.217 6.263 2.161 1.00 0.00 C ATOM 481 CG LEU A 33 9.743 6.665 1.977 1.00 0.00 C ATOM 482 CD1 LEU A 33 8.878 5.468 1.578 1.00 0.00 C ATOM 483 CD2 LEU A 33 9.190 7.310 3.255 1.00 0.00 C ATOM 0 H LEU A 33 12.043 7.063 -0.099 1.00 0.00 H new ATOM 0 HA LEU A 33 11.847 8.286 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.466 5.466 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.361 5.861 3.164 1.00 0.00 H new ATOM 0 HG LEU A 33 9.705 7.394 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.844 5.791 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.241 5.054 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.932 4.705 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.147 7.586 3.101 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.260 6.601 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.770 8.202 3.493 1.00 0.00 H new ATOM 495 N PRO A 34 14.059 7.313 3.535 1.00 0.00 N ATOM 496 CA PRO A 34 15.393 6.918 3.964 1.00 0.00 C ATOM 497 C PRO A 34 15.445 5.395 4.121 1.00 0.00 C ATOM 498 O PRO A 34 14.416 4.760 4.385 1.00 0.00 O ATOM 499 CB PRO A 34 15.609 7.612 5.304 1.00 0.00 C ATOM 500 CG PRO A 34 14.195 7.761 5.847 1.00 0.00 C ATOM 501 CD PRO A 34 13.372 8.031 4.594 1.00 0.00 C ATOM 0 HA PRO A 34 16.166 7.197 3.248 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.236 7.018 5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.098 8.578 5.183 1.00 0.00 H new ATOM 0 HG2 PRO A 34 13.863 6.859 6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.122 8.580 6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 34 12.347 7.678 4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 34 13.319 9.098 4.378 1.00 0.00 H new ATOM 509 N GLY A 35 16.648 4.820 4.037 1.00 0.00 N ATOM 510 CA GLY A 35 16.861 3.382 4.158 1.00 0.00 C ATOM 511 C GLY A 35 16.265 2.829 5.448 1.00 0.00 C ATOM 512 O GLY A 35 15.512 1.858 5.405 1.00 0.00 O ATOM 0 H GLY A 35 17.507 5.348 3.882 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.413 2.875 3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.930 3.169 4.131 1.00 0.00 H new ATOM 516 N GLU A 36 16.503 3.524 6.565 1.00 0.00 N ATOM 517 CA GLU A 36 16.018 3.173 7.898 1.00 0.00 C ATOM 518 C GLU A 36 14.507 2.890 7.905 1.00 0.00 C ATOM 519 O GLU A 36 14.049 1.945 8.558 1.00 0.00 O ATOM 520 CB GLU A 36 16.421 4.288 8.886 1.00 0.00 C ATOM 521 CG GLU A 36 15.610 5.583 8.743 1.00 0.00 C ATOM 522 CD GLU A 36 16.373 6.838 9.163 1.00 0.00 C ATOM 523 OE1 GLU A 36 17.090 7.400 8.308 1.00 0.00 O ATOM 524 OE2 GLU A 36 16.161 7.331 10.295 1.00 0.00 O ATOM 0 H GLU A 36 17.060 4.378 6.562 1.00 0.00 H new ATOM 0 HA GLU A 36 16.485 2.241 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.309 3.914 9.903 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.477 4.517 8.745 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.295 5.691 7.705 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.704 5.502 9.344 1.00 0.00 H new ATOM 531 N LYS A 37 13.721 3.689 7.165 1.00 0.00 N ATOM 532 CA LYS A 37 12.274 3.520 7.092 1.00 0.00 C ATOM 533 C LYS A 37 11.877 2.610 5.934 1.00 0.00 C ATOM 534 O LYS A 37 10.762 2.082 5.956 1.00 0.00 O ATOM 535 CB LYS A 37 11.562 4.878 6.945 1.00 0.00 C ATOM 536 CG LYS A 37 11.848 5.876 8.076 1.00 0.00 C ATOM 537 CD LYS A 37 11.156 7.225 7.830 1.00 0.00 C ATOM 538 CE LYS A 37 9.780 7.339 8.500 1.00 0.00 C ATOM 539 NZ LYS A 37 9.904 7.724 9.921 1.00 0.00 N ATOM 0 H LYS A 37 14.076 4.465 6.606 1.00 0.00 H new ATOM 0 HA LYS A 37 11.961 3.054 8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 37 11.859 5.328 5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.487 4.706 6.893 1.00 0.00 H new ATOM 0 HG2 LYS A 37 11.507 5.460 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 37 12.924 6.029 8.163 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.798 8.026 8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.042 7.375 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.177 8.078 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.256 6.386 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.957 7.793 10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.460 7.006 10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.382 8.645 9.991 1.00 0.00 H new ATOM 553 N LEU A 38 12.694 2.440 4.888 1.00 0.00 N ATOM 554 CA LEU A 38 12.329 1.591 3.753 1.00 0.00 C ATOM 555 C LEU A 38 12.014 0.170 4.198 1.00 0.00 C ATOM 556 O LEU A 38 11.007 -0.376 3.752 1.00 0.00 O ATOM 557 CB LEU A 38 13.383 1.600 2.638 1.00 0.00 C ATOM 558 CG LEU A 38 12.877 0.875 1.369 1.00 0.00 C ATOM 559 CD1 LEU A 38 11.714 1.620 0.709 1.00 0.00 C ATOM 560 CD2 LEU A 38 13.992 0.745 0.336 1.00 0.00 C ATOM 0 H LEU A 38 13.611 2.879 4.806 1.00 0.00 H new ATOM 0 HA LEU A 38 11.423 2.023 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 38 13.642 2.629 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 38 14.294 1.118 2.994 1.00 0.00 H new ATOM 0 HG LEU A 38 12.540 -0.109 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.390 1.076 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.884 1.695 1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 38 12.038 2.620 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 38 13.612 0.232 -0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.345 1.737 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.817 0.173 0.761 1.00 0.00 H new ATOM 572 N GLY A 39 12.774 -0.384 5.145 1.00 0.00 N ATOM 573 CA GLY A 39 12.544 -1.735 5.646 1.00 0.00 C ATOM 574 C GLY A 39 11.186 -1.931 6.324 1.00 0.00 C ATOM 575 O GLY A 39 10.884 -3.037 6.766 1.00 0.00 O ATOM 0 H GLY A 39 13.563 0.092 5.583 1.00 0.00 H new ATOM 0 HA2 GLY A 39 12.628 -2.437 4.816 1.00 0.00 H new ATOM 0 HA3 GLY A 39 13.332 -1.986 6.357 1.00 0.00 H new ATOM 579 N ARG A 40 10.378 -0.881 6.507 1.00 0.00 N ATOM 580 CA ARG A 40 9.044 -1.000 7.085 1.00 0.00 C ATOM 581 C ARG A 40 8.060 -1.247 5.937 1.00 0.00 C ATOM 582 O ARG A 40 7.090 -1.977 6.120 1.00 0.00 O ATOM 583 CB ARG A 40 8.684 0.275 7.861 1.00 0.00 C ATOM 584 CG ARG A 40 7.333 0.178 8.578 1.00 0.00 C ATOM 585 CD ARG A 40 7.333 -0.778 9.775 1.00 0.00 C ATOM 586 NE ARG A 40 6.000 -0.815 10.397 1.00 0.00 N ATOM 587 CZ ARG A 40 5.465 0.119 11.188 1.00 0.00 C ATOM 588 NH1 ARG A 40 6.200 1.151 11.591 1.00 0.00 N ATOM 589 NH2 ARG A 40 4.200 0.012 11.580 1.00 0.00 N ATOM 0 H ARG A 40 10.635 0.074 6.257 1.00 0.00 H new ATOM 0 HA ARG A 40 9.002 -1.829 7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.464 0.480 8.594 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.664 1.120 7.172 1.00 0.00 H new ATOM 0 HG2 ARG A 40 7.041 1.171 8.919 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.577 -0.149 7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 40 7.619 -1.779 9.450 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.075 -0.456 10.506 1.00 0.00 H new ATOM 0 HE ARG A 40 5.427 -1.637 10.205 1.00 0.00 H new ATOM 0 HH11 ARG A 40 7.173 1.230 11.296 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.791 1.864 12.195 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.638 -0.783 11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.791 0.725 12.184 1.00 0.00 H new ATOM 603 N VAL A 41 8.316 -0.689 4.747 1.00 0.00 N ATOM 604 CA VAL A 41 7.471 -0.833 3.570 1.00 0.00 C ATOM 605 C VAL A 41 7.266 -2.307 3.242 1.00 0.00 C ATOM 606 O VAL A 41 6.123 -2.716 3.055 1.00 0.00 O ATOM 607 CB VAL A 41 8.045 -0.033 2.379 1.00 0.00 C ATOM 608 CG1 VAL A 41 7.103 -0.147 1.175 1.00 0.00 C ATOM 609 CG2 VAL A 41 8.185 1.456 2.730 1.00 0.00 C ATOM 0 H VAL A 41 9.140 -0.111 4.579 1.00 0.00 H new ATOM 0 HA VAL A 41 6.489 -0.412 3.783 1.00 0.00 H new ATOM 0 HB VAL A 41 9.026 -0.447 2.145 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.512 0.419 0.338 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.002 -1.194 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.124 0.253 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.591 1.995 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.207 1.863 2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.857 1.568 3.581 1.00 0.00 H new ATOM 619 N VAL A 42 8.330 -3.112 3.216 1.00 0.00 N ATOM 620 CA VAL A 42 8.251 -4.542 2.913 1.00 0.00 C ATOM 621 C VAL A 42 7.226 -5.254 3.824 1.00 0.00 C ATOM 622 O VAL A 42 6.464 -6.108 3.372 1.00 0.00 O ATOM 623 CB VAL A 42 9.687 -5.117 2.968 1.00 0.00 C ATOM 624 CG1 VAL A 42 10.292 -5.069 4.367 1.00 0.00 C ATOM 625 CG2 VAL A 42 9.782 -6.544 2.425 1.00 0.00 C ATOM 0 H VAL A 42 9.278 -2.787 3.406 1.00 0.00 H new ATOM 0 HA VAL A 42 7.867 -4.717 1.908 1.00 0.00 H new ATOM 0 HB VAL A 42 10.266 -4.462 2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 42 11.299 -5.486 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 42 10.335 -4.035 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 42 9.675 -5.652 5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 42 10.813 -6.890 2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 42 9.141 -7.200 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.460 -6.559 1.384 1.00 0.00 H new ATOM 635 N HIS A 43 7.132 -4.846 5.093 1.00 0.00 N ATOM 636 CA HIS A 43 6.223 -5.417 6.078 1.00 0.00 C ATOM 637 C HIS A 43 4.750 -5.181 5.729 1.00 0.00 C ATOM 638 O HIS A 43 3.871 -5.922 6.189 1.00 0.00 O ATOM 639 CB HIS A 43 6.523 -4.804 7.445 1.00 0.00 C ATOM 640 CG HIS A 43 6.143 -5.692 8.598 1.00 0.00 C ATOM 641 ND1 HIS A 43 4.896 -6.213 8.855 1.00 0.00 N ATOM 642 CD2 HIS A 43 6.974 -6.078 9.608 1.00 0.00 C ATOM 643 CE1 HIS A 43 4.954 -6.867 10.023 1.00 0.00 C ATOM 644 NE2 HIS A 43 6.200 -6.795 10.532 1.00 0.00 N ATOM 0 H HIS A 43 7.703 -4.089 5.469 1.00 0.00 H new ATOM 0 HA HIS A 43 6.384 -6.495 6.088 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.587 -4.577 7.507 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.990 -3.858 7.535 1.00 0.00 H new ATOM 0 HD1 HIS A 43 4.072 -6.118 8.261 1.00 0.00 H new ATOM 0 HD2 HIS A 43 8.031 -5.870 9.682 1.00 0.00 H new ATOM 0 HE1 HIS A 43 4.124 -7.377 10.489 1.00 0.00 H new ATOM 652 N ILE A 44 4.448 -4.124 4.973 1.00 0.00 N ATOM 653 CA ILE A 44 3.083 -3.822 4.575 1.00 0.00 C ATOM 654 C ILE A 44 2.625 -4.969 3.668 1.00 0.00 C ATOM 655 O ILE A 44 1.533 -5.505 3.882 1.00 0.00 O ATOM 656 CB ILE A 44 2.984 -2.430 3.909 1.00 0.00 C ATOM 657 CG1 ILE A 44 3.321 -1.306 4.913 1.00 0.00 C ATOM 658 CG2 ILE A 44 1.583 -2.218 3.311 1.00 0.00 C ATOM 659 CD1 ILE A 44 3.432 0.085 4.272 1.00 0.00 C ATOM 0 H ILE A 44 5.141 -3.461 4.625 1.00 0.00 H new ATOM 0 HA ILE A 44 2.419 -3.757 5.437 1.00 0.00 H new ATOM 0 HB ILE A 44 3.716 -2.390 3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.553 -1.279 5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.263 -1.544 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.531 -1.233 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.388 -2.984 2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.836 -2.286 4.102 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.671 0.821 5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.220 0.077 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.484 0.346 3.802 1.00 0.00 H new ATOM 671 N ILE A 45 3.447 -5.362 2.684 1.00 0.00 N ATOM 672 CA ILE A 45 3.106 -6.451 1.775 1.00 0.00 C ATOM 673 C ILE A 45 2.985 -7.751 2.572 1.00 0.00 C ATOM 674 O ILE A 45 2.013 -8.475 2.364 1.00 0.00 O ATOM 675 CB ILE A 45 4.093 -6.592 0.595 1.00 0.00 C ATOM 676 CG1 ILE A 45 4.249 -5.294 -0.230 1.00 0.00 C ATOM 677 CG2 ILE A 45 3.574 -7.711 -0.326 1.00 0.00 C ATOM 678 CD1 ILE A 45 5.513 -4.516 0.146 1.00 0.00 C ATOM 0 H ILE A 45 4.356 -4.936 2.502 1.00 0.00 H new ATOM 0 HA ILE A 45 2.146 -6.216 1.315 1.00 0.00 H new ATOM 0 HB ILE A 45 5.075 -6.821 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.279 -5.542 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.376 -4.661 -0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.253 -7.832 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.518 -8.645 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.582 -7.449 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.578 -3.613 -0.460 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.472 -4.243 1.200 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.390 -5.138 -0.034 1.00 0.00 H new ATOM 690 N GLN A 46 3.864 -8.011 3.548 1.00 0.00 N ATOM 691 CA GLN A 46 3.798 -9.228 4.360 1.00 0.00 C ATOM 692 C GLN A 46 2.437 -9.382 5.069 1.00 0.00 C ATOM 693 O GLN A 46 2.038 -10.496 5.416 1.00 0.00 O ATOM 694 CB GLN A 46 4.934 -9.254 5.393 1.00 0.00 C ATOM 695 CG GLN A 46 6.341 -9.419 4.789 1.00 0.00 C ATOM 696 CD GLN A 46 7.345 -9.882 5.852 1.00 0.00 C ATOM 697 OE1 GLN A 46 8.254 -10.780 5.509 1.00 0.00 O flip ATOM 698 NE2 GLN A 46 7.261 -9.507 7.022 1.00 0.00 N flip ATOM 0 H GLN A 46 4.634 -7.389 3.794 1.00 0.00 H new ATOM 0 HA GLN A 46 3.913 -10.071 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.906 -8.329 5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.754 -10.071 6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.308 -10.143 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 46 6.670 -8.472 4.361 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.560 -8.815 7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.892 -9.889 7.726 1.00 0.00 H new ATOM 707 N SER A 47 1.696 -8.290 5.302 1.00 0.00 N ATOM 708 CA SER A 47 0.387 -8.368 5.946 1.00 0.00 C ATOM 709 C SER A 47 -0.650 -8.928 4.968 1.00 0.00 C ATOM 710 O SER A 47 -1.691 -9.456 5.372 1.00 0.00 O ATOM 711 CB SER A 47 0.011 -6.974 6.460 1.00 0.00 C ATOM 712 OG SER A 47 -1.270 -6.917 7.051 1.00 0.00 O ATOM 0 H SER A 47 1.985 -7.344 5.052 1.00 0.00 H new ATOM 0 HA SER A 47 0.417 -9.050 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.754 -6.652 7.190 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.052 -6.267 5.631 1.00 0.00 H new ATOM 0 HG SER A 47 -1.448 -6.004 7.359 1.00 0.00 H new ATOM 718 N ARG A 48 -0.398 -8.809 3.665 1.00 0.00 N ATOM 719 CA ARG A 48 -1.269 -9.297 2.600 1.00 0.00 C ATOM 720 C ARG A 48 -0.812 -10.636 2.055 1.00 0.00 C ATOM 721 O ARG A 48 -1.666 -11.462 1.749 1.00 0.00 O ATOM 722 CB ARG A 48 -1.312 -8.301 1.433 1.00 0.00 C ATOM 723 CG ARG A 48 -1.645 -6.855 1.815 1.00 0.00 C ATOM 724 CD ARG A 48 -3.054 -6.604 2.353 1.00 0.00 C ATOM 725 NE ARG A 48 -3.233 -7.163 3.698 1.00 0.00 N ATOM 726 CZ ARG A 48 -4.383 -7.550 4.246 1.00 0.00 C ATOM 727 NH1 ARG A 48 -5.545 -7.216 3.689 1.00 0.00 N ATOM 728 NH2 ARG A 48 -4.339 -8.260 5.365 1.00 0.00 N ATOM 0 H ARG A 48 0.445 -8.356 3.312 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.258 -9.411 3.044 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.344 -8.313 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.050 -8.647 0.709 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.928 -6.526 2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.497 -6.226 0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.248 -5.532 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.785 -7.045 1.676 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.394 -7.265 4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.560 -6.659 2.835 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.421 -7.517 4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.440 -8.496 5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.205 -8.570 5.807 1.00 0.00 H new ATOM 742 N GLU A 49 0.489 -10.898 2.022 1.00 0.00 N ATOM 743 CA GLU A 49 1.037 -12.133 1.471 1.00 0.00 C ATOM 744 C GLU A 49 1.680 -12.993 2.567 1.00 0.00 C ATOM 745 O GLU A 49 2.822 -12.737 2.944 1.00 0.00 O ATOM 746 CB GLU A 49 1.999 -11.813 0.311 1.00 0.00 C ATOM 747 CG GLU A 49 1.512 -10.795 -0.741 1.00 0.00 C ATOM 748 CD GLU A 49 0.098 -11.014 -1.298 1.00 0.00 C ATOM 749 OE1 GLU A 49 -0.432 -12.153 -1.236 1.00 0.00 O ATOM 750 OE2 GLU A 49 -0.505 -10.028 -1.793 1.00 0.00 O ATOM 0 H GLU A 49 1.198 -10.257 2.378 1.00 0.00 H new ATOM 0 HA GLU A 49 0.225 -12.733 1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.931 -11.441 0.736 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.233 -12.746 -0.203 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.555 -9.800 -0.299 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.213 -10.804 -1.575 1.00 0.00 H new ATOM 757 N PRO A 50 0.993 -14.024 3.100 1.00 0.00 N ATOM 758 CA PRO A 50 1.545 -14.869 4.159 1.00 0.00 C ATOM 759 C PRO A 50 2.785 -15.658 3.731 1.00 0.00 C ATOM 760 O PRO A 50 3.679 -15.873 4.549 1.00 0.00 O ATOM 761 CB PRO A 50 0.409 -15.786 4.604 1.00 0.00 C ATOM 762 CG PRO A 50 -0.542 -15.815 3.411 1.00 0.00 C ATOM 763 CD PRO A 50 -0.355 -14.453 2.753 1.00 0.00 C ATOM 0 HA PRO A 50 1.904 -14.248 4.980 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.775 -16.784 4.845 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.085 -15.403 5.497 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -0.297 -16.626 2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.574 -15.966 3.727 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.477 -14.521 1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.097 -13.740 3.113 1.00 0.00 H new ATOM 771 N SER A 51 2.882 -16.072 2.463 1.00 0.00 N ATOM 772 CA SER A 51 4.049 -16.811 1.988 1.00 0.00 C ATOM 773 C SER A 51 5.291 -15.930 2.174 1.00 0.00 C ATOM 774 O SER A 51 6.250 -16.292 2.857 1.00 0.00 O ATOM 775 CB SER A 51 3.840 -17.222 0.525 1.00 0.00 C ATOM 776 OG SER A 51 2.553 -17.790 0.332 1.00 0.00 O ATOM 0 H SER A 51 2.169 -15.907 1.753 1.00 0.00 H new ATOM 0 HA SER A 51 4.191 -17.728 2.561 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.957 -16.352 -0.121 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.606 -17.941 0.233 1.00 0.00 H new ATOM 0 HG SER A 51 2.444 -18.042 -0.609 1.00 0.00 H new ATOM 782 N LEU A 52 5.223 -14.720 1.620 1.00 0.00 N ATOM 783 CA LEU A 52 6.284 -13.724 1.682 1.00 0.00 C ATOM 784 C LEU A 52 6.500 -13.237 3.118 1.00 0.00 C ATOM 785 O LEU A 52 7.578 -12.738 3.439 1.00 0.00 O ATOM 786 CB LEU A 52 5.954 -12.552 0.744 1.00 0.00 C ATOM 787 CG LEU A 52 6.087 -12.806 -0.772 1.00 0.00 C ATOM 788 CD1 LEU A 52 7.492 -13.258 -1.158 1.00 0.00 C ATOM 789 CD2 LEU A 52 5.086 -13.819 -1.341 1.00 0.00 C ATOM 0 H LEU A 52 4.405 -14.400 1.102 1.00 0.00 H new ATOM 0 HA LEU A 52 7.215 -14.184 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.931 -12.235 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.603 -11.716 1.005 1.00 0.00 H new ATOM 0 HG LEU A 52 5.864 -11.834 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.538 -13.425 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.211 -12.488 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.732 -14.185 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.254 -13.934 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.222 -14.781 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.070 -13.463 -1.169 1.00 0.00 H new ATOM 801 N LYS A 53 5.517 -13.397 4.013 1.00 0.00 N ATOM 802 CA LYS A 53 5.650 -12.991 5.410 1.00 0.00 C ATOM 803 C LYS A 53 6.720 -13.815 6.121 1.00 0.00 C ATOM 804 O LYS A 53 7.264 -13.371 7.129 1.00 0.00 O ATOM 805 CB LYS A 53 4.303 -13.083 6.146 1.00 0.00 C ATOM 806 CG LYS A 53 4.359 -12.422 7.532 1.00 0.00 C ATOM 807 CD LYS A 53 4.424 -13.413 8.704 1.00 0.00 C ATOM 808 CE LYS A 53 4.747 -12.585 9.947 1.00 0.00 C ATOM 809 NZ LYS A 53 4.729 -13.367 11.198 1.00 0.00 N ATOM 0 H LYS A 53 4.612 -13.810 3.786 1.00 0.00 H new ATOM 0 HA LYS A 53 5.966 -11.948 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.529 -12.604 5.547 1.00 0.00 H new ATOM 0 HB3 LYS A 53 4.020 -14.130 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.231 -11.769 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.480 -11.789 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.476 -13.938 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.189 -14.170 8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.731 -12.132 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.028 -11.770 10.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.956 -12.745 12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.784 -13.779 11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.434 -14.129 11.141 1.00 0.00 H new ATOM 823 N ASN A 54 7.005 -15.014 5.618 1.00 0.00 N ATOM 824 CA ASN A 54 7.987 -15.911 6.202 1.00 0.00 C ATOM 825 C ASN A 54 9.382 -15.716 5.595 1.00 0.00 C ATOM 826 O ASN A 54 10.344 -16.303 6.100 1.00 0.00 O ATOM 827 CB ASN A 54 7.435 -17.343 6.145 1.00 0.00 C ATOM 828 CG ASN A 54 6.272 -17.489 7.127 1.00 0.00 C ATOM 829 OD1 ASN A 54 6.474 -17.804 8.298 1.00 0.00 O ATOM 830 ND2 ASN A 54 5.047 -17.179 6.729 1.00 0.00 N ATOM 0 H ASN A 54 6.553 -15.390 4.784 1.00 0.00 H new ATOM 0 HA ASN A 54 8.146 -15.674 7.254 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.100 -17.574 5.134 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.222 -18.056 6.391 1.00 0.00 H new ATOM 0 HD21 ASN A 54 4.274 -17.202 7.394 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.877 -16.917 5.758 1.00 0.00 H new ATOM 837 N SER A 55 9.500 -14.914 4.530 1.00 0.00 N ATOM 838 CA SER A 55 10.753 -14.593 3.851 1.00 0.00 C ATOM 839 C SER A 55 11.458 -13.458 4.633 1.00 0.00 C ATOM 840 O SER A 55 10.957 -13.006 5.672 1.00 0.00 O ATOM 841 CB SER A 55 10.448 -14.228 2.387 1.00 0.00 C ATOM 842 OG SER A 55 9.692 -15.252 1.759 1.00 0.00 O ATOM 0 H SER A 55 8.694 -14.456 4.105 1.00 0.00 H new ATOM 0 HA SER A 55 11.434 -15.444 3.830 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.897 -13.288 2.349 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.381 -14.073 1.844 1.00 0.00 H new ATOM 0 HG SER A 55 9.507 -15.000 0.830 1.00 0.00 H new ATOM 848 N ASN A 56 12.642 -13.002 4.206 1.00 0.00 N ATOM 849 CA ASN A 56 13.384 -11.933 4.898 1.00 0.00 C ATOM 850 C ASN A 56 13.202 -10.588 4.185 1.00 0.00 C ATOM 851 O ASN A 56 13.098 -10.595 2.962 1.00 0.00 O ATOM 852 CB ASN A 56 14.874 -12.312 4.961 1.00 0.00 C ATOM 853 CG ASN A 56 15.517 -11.971 6.299 1.00 0.00 C ATOM 854 OD1 ASN A 56 14.888 -12.065 7.351 1.00 0.00 O ATOM 855 ND2 ASN A 56 16.774 -11.577 6.308 1.00 0.00 N ATOM 0 H ASN A 56 13.114 -13.360 3.375 1.00 0.00 H new ATOM 0 HA ASN A 56 12.992 -11.826 5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.980 -13.381 4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 56 15.409 -11.795 4.164 1.00 0.00 H new ATOM 0 HD21 ASN A 56 17.230 -11.348 7.191 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.291 -11.501 5.432 1.00 0.00 H new ATOM 862 N PRO A 57 13.244 -9.427 4.865 1.00 0.00 N ATOM 863 CA PRO A 57 13.060 -8.129 4.224 1.00 0.00 C ATOM 864 C PRO A 57 14.054 -7.851 3.095 1.00 0.00 C ATOM 865 O PRO A 57 13.661 -7.273 2.081 1.00 0.00 O ATOM 866 CB PRO A 57 13.121 -7.087 5.345 1.00 0.00 C ATOM 867 CG PRO A 57 13.828 -7.797 6.490 1.00 0.00 C ATOM 868 CD PRO A 57 13.372 -9.238 6.298 1.00 0.00 C ATOM 0 HA PRO A 57 12.098 -8.097 3.713 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.669 -6.198 5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.123 -6.760 5.637 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.912 -7.700 6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.531 -7.401 7.461 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.094 -9.936 6.721 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.422 -9.418 6.802 1.00 0.00 H new ATOM 876 N ASP A 58 15.312 -8.273 3.234 1.00 0.00 N ATOM 877 CA ASP A 58 16.351 -8.074 2.214 1.00 0.00 C ATOM 878 C ASP A 58 16.335 -9.188 1.153 1.00 0.00 C ATOM 879 O ASP A 58 17.221 -9.267 0.303 1.00 0.00 O ATOM 880 CB ASP A 58 17.730 -7.901 2.867 1.00 0.00 C ATOM 881 CG ASP A 58 18.634 -7.006 2.017 1.00 0.00 C ATOM 882 OD1 ASP A 58 18.366 -5.780 1.986 1.00 0.00 O ATOM 883 OD2 ASP A 58 19.629 -7.484 1.437 1.00 0.00 O ATOM 0 H ASP A 58 15.644 -8.766 4.063 1.00 0.00 H new ATOM 0 HA ASP A 58 16.127 -7.149 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.614 -7.467 3.860 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.199 -8.876 2.998 1.00 0.00 H new ATOM 888 N GLU A 59 15.354 -10.095 1.216 1.00 0.00 N ATOM 889 CA GLU A 59 15.160 -11.212 0.291 1.00 0.00 C ATOM 890 C GLU A 59 13.796 -11.117 -0.412 1.00 0.00 C ATOM 891 O GLU A 59 13.478 -11.979 -1.229 1.00 0.00 O ATOM 892 CB GLU A 59 15.245 -12.553 1.038 1.00 0.00 C ATOM 893 CG GLU A 59 16.607 -12.848 1.669 1.00 0.00 C ATOM 894 CD GLU A 59 16.658 -14.240 2.317 1.00 0.00 C ATOM 895 OE1 GLU A 59 15.598 -14.783 2.716 1.00 0.00 O ATOM 896 OE2 GLU A 59 17.776 -14.796 2.423 1.00 0.00 O ATOM 0 H GLU A 59 14.643 -10.067 1.947 1.00 0.00 H new ATOM 0 HA GLU A 59 15.951 -11.159 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 59 14.487 -12.566 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.000 -13.356 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.382 -12.776 0.906 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.829 -12.091 2.421 1.00 0.00 H new ATOM 903 N ILE A 60 12.980 -10.104 -0.111 1.00 0.00 N ATOM 904 CA ILE A 60 11.657 -9.915 -0.705 1.00 0.00 C ATOM 905 C ILE A 60 11.723 -8.830 -1.775 1.00 0.00 C ATOM 906 O ILE A 60 11.778 -7.635 -1.476 1.00 0.00 O ATOM 907 CB ILE A 60 10.633 -9.583 0.394 1.00 0.00 C ATOM 908 CG1 ILE A 60 10.401 -10.797 1.318 1.00 0.00 C ATOM 909 CG2 ILE A 60 9.261 -9.133 -0.139 1.00 0.00 C ATOM 910 CD1 ILE A 60 9.840 -10.401 2.688 1.00 0.00 C ATOM 0 H ILE A 60 13.226 -9.380 0.564 1.00 0.00 H new ATOM 0 HA ILE A 60 11.331 -10.836 -1.189 1.00 0.00 H new ATOM 0 HB ILE A 60 11.075 -8.748 0.937 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.712 -11.490 0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 60 11.343 -11.328 1.456 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.598 -8.918 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 60 9.383 -8.235 -0.745 1.00 0.00 H new ATOM 0 HG23 ILE A 60 8.830 -9.927 -0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.697 -11.295 3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.540 -9.731 3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.884 -9.895 2.557 1.00 0.00 H new ATOM 922 N GLU A 61 11.727 -9.257 -3.027 1.00 0.00 N ATOM 923 CA GLU A 61 11.740 -8.378 -4.189 1.00 0.00 C ATOM 924 C GLU A 61 10.311 -7.820 -4.325 1.00 0.00 C ATOM 925 O GLU A 61 9.358 -8.602 -4.279 1.00 0.00 O ATOM 926 CB GLU A 61 12.243 -9.151 -5.424 1.00 0.00 C ATOM 927 CG GLU A 61 11.315 -10.233 -6.024 1.00 0.00 C ATOM 928 CD GLU A 61 10.975 -11.398 -5.085 1.00 0.00 C ATOM 929 OE1 GLU A 61 11.887 -11.908 -4.396 1.00 0.00 O ATOM 930 OE2 GLU A 61 9.783 -11.800 -5.040 1.00 0.00 O ATOM 0 H GLU A 61 11.721 -10.247 -3.271 1.00 0.00 H new ATOM 0 HA GLU A 61 12.429 -7.540 -4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 61 12.462 -8.425 -6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.187 -9.628 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.386 -9.758 -6.338 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.786 -10.636 -6.921 1.00 0.00 H new ATOM 937 N ILE A 62 10.108 -6.502 -4.427 1.00 0.00 N ATOM 938 CA ILE A 62 8.764 -5.924 -4.543 1.00 0.00 C ATOM 939 C ILE A 62 8.477 -5.583 -6.007 1.00 0.00 C ATOM 940 O ILE A 62 9.218 -4.803 -6.617 1.00 0.00 O ATOM 941 CB ILE A 62 8.575 -4.650 -3.677 1.00 0.00 C ATOM 942 CG1 ILE A 62 9.244 -4.663 -2.282 1.00 0.00 C ATOM 943 CG2 ILE A 62 7.060 -4.399 -3.522 1.00 0.00 C ATOM 944 CD1 ILE A 62 9.212 -3.274 -1.640 1.00 0.00 C ATOM 0 H ILE A 62 10.860 -5.813 -4.432 1.00 0.00 H new ATOM 0 HA ILE A 62 8.064 -6.674 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 62 9.088 -3.850 -4.210 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.732 -5.377 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.276 -5.000 -2.374 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.899 -3.507 -2.916 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.613 -4.255 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.597 -5.257 -3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.689 -3.315 -0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.746 -2.567 -2.275 1.00 0.00 H new ATOM 0 HD13 ILE A 62 8.178 -2.949 -1.526 1.00 0.00 H new ATOM 956 N ASP A 63 7.399 -6.122 -6.568 1.00 0.00 N ATOM 957 CA ASP A 63 6.961 -5.879 -7.938 1.00 0.00 C ATOM 958 C ASP A 63 5.505 -5.417 -7.868 1.00 0.00 C ATOM 959 O ASP A 63 4.758 -5.887 -7.018 1.00 0.00 O ATOM 960 CB ASP A 63 7.187 -7.097 -8.822 1.00 0.00 C ATOM 961 CG ASP A 63 6.643 -6.781 -10.198 1.00 0.00 C ATOM 962 OD1 ASP A 63 7.263 -5.959 -10.912 1.00 0.00 O ATOM 963 OD2 ASP A 63 5.541 -7.278 -10.512 1.00 0.00 O ATOM 0 H ASP A 63 6.785 -6.762 -6.064 1.00 0.00 H new ATOM 0 HA ASP A 63 7.553 -5.097 -8.413 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.249 -7.336 -8.877 1.00 0.00 H new ATOM 0 HB3 ASP A 63 6.685 -7.970 -8.405 1.00 0.00 H new ATOM 968 N PHE A 64 5.103 -4.419 -8.655 1.00 0.00 N ATOM 969 CA PHE A 64 3.756 -3.861 -8.642 1.00 0.00 C ATOM 970 C PHE A 64 2.828 -4.525 -9.648 1.00 0.00 C ATOM 971 O PHE A 64 1.644 -4.192 -9.738 1.00 0.00 O ATOM 972 CB PHE A 64 3.857 -2.358 -8.939 1.00 0.00 C ATOM 973 CG PHE A 64 4.607 -1.544 -7.899 1.00 0.00 C ATOM 974 CD1 PHE A 64 3.952 -1.167 -6.714 1.00 0.00 C ATOM 975 CD2 PHE A 64 5.944 -1.154 -8.104 1.00 0.00 C ATOM 976 CE1 PHE A 64 4.629 -0.446 -5.717 1.00 0.00 C ATOM 977 CE2 PHE A 64 6.632 -0.452 -7.097 1.00 0.00 C ATOM 978 CZ PHE A 64 5.970 -0.085 -5.916 1.00 0.00 C ATOM 0 H PHE A 64 5.719 -3.969 -9.332 1.00 0.00 H new ATOM 0 HA PHE A 64 3.324 -4.043 -7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 64 4.347 -2.226 -9.903 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.849 -1.954 -9.036 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.916 -1.435 -6.568 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.441 -1.393 -9.033 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.121 -0.172 -4.804 1.00 0.00 H new ATOM 0 HE2 PHE A 64 7.672 -0.195 -7.234 1.00 0.00 H new ATOM 0 HZ PHE A 64 6.494 0.477 -5.157 1.00 0.00 H new ATOM 988 N GLU A 65 3.363 -5.430 -10.453 1.00 0.00 N ATOM 989 CA GLU A 65 2.616 -6.119 -11.470 1.00 0.00 C ATOM 990 C GLU A 65 2.055 -7.432 -10.943 1.00 0.00 C ATOM 991 O GLU A 65 0.923 -7.791 -11.270 1.00 0.00 O ATOM 992 CB GLU A 65 3.513 -6.338 -12.684 1.00 0.00 C ATOM 993 CG GLU A 65 4.405 -5.151 -13.075 1.00 0.00 C ATOM 994 CD GLU A 65 5.063 -5.339 -14.441 1.00 0.00 C ATOM 995 OE1 GLU A 65 4.430 -5.934 -15.347 1.00 0.00 O ATOM 996 OE2 GLU A 65 6.175 -4.802 -14.653 1.00 0.00 O ATOM 0 H GLU A 65 4.345 -5.704 -10.410 1.00 0.00 H new ATOM 0 HA GLU A 65 1.762 -5.510 -11.768 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.151 -7.200 -12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.884 -6.592 -13.537 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.807 -4.239 -13.085 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.178 -5.017 -12.318 1.00 0.00 H new ATOM 1003 N THR A 66 2.827 -8.117 -10.102 1.00 0.00 N ATOM 1004 CA THR A 66 2.424 -9.389 -9.534 1.00 0.00 C ATOM 1005 C THR A 66 1.546 -9.189 -8.296 1.00 0.00 C ATOM 1006 O THR A 66 0.665 -10.014 -8.035 1.00 0.00 O ATOM 1007 CB THR A 66 3.695 -10.206 -9.246 1.00 0.00 C ATOM 1008 OG1 THR A 66 3.392 -11.579 -9.095 1.00 0.00 O ATOM 1009 CG2 THR A 66 4.487 -9.726 -8.028 1.00 0.00 C ATOM 0 H THR A 66 3.748 -7.801 -9.799 1.00 0.00 H new ATOM 0 HA THR A 66 1.805 -9.945 -10.239 1.00 0.00 H new ATOM 0 HB THR A 66 4.332 -10.053 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.216 -12.078 -8.914 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.367 -10.355 -7.895 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.799 -8.693 -8.181 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.860 -9.787 -7.139 1.00 0.00 H new ATOM 1017 N LEU A 67 1.785 -8.130 -7.519 1.00 0.00 N ATOM 1018 CA LEU A 67 1.029 -7.849 -6.308 1.00 0.00 C ATOM 1019 C LEU A 67 -0.399 -7.442 -6.641 1.00 0.00 C ATOM 1020 O LEU A 67 -0.696 -6.943 -7.728 1.00 0.00 O ATOM 1021 CB LEU A 67 1.724 -6.742 -5.505 1.00 0.00 C ATOM 1022 CG LEU A 67 3.013 -7.193 -4.795 1.00 0.00 C ATOM 1023 CD1 LEU A 67 3.585 -6.006 -4.012 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.821 -8.384 -3.846 1.00 0.00 C ATOM 0 H LEU A 67 2.513 -7.444 -7.718 1.00 0.00 H new ATOM 0 HA LEU A 67 0.990 -8.757 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.962 -5.916 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.028 -6.357 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 67 3.698 -7.532 -5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.499 -6.312 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.808 -5.190 -4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.855 -5.671 -3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.775 -8.640 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.103 -8.119 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.448 -9.240 -4.408 1.00 0.00 H new ATOM 1036 N LYS A 68 -1.297 -7.674 -5.686 1.00 0.00 N ATOM 1037 CA LYS A 68 -2.699 -7.334 -5.859 1.00 0.00 C ATOM 1038 C LYS A 68 -2.887 -5.831 -5.731 1.00 0.00 C ATOM 1039 O LYS A 68 -2.187 -5.203 -4.937 1.00 0.00 O ATOM 1040 CB LYS A 68 -3.550 -8.032 -4.794 1.00 0.00 C ATOM 1041 CG LYS A 68 -3.675 -9.518 -5.108 1.00 0.00 C ATOM 1042 CD LYS A 68 -4.411 -10.275 -3.997 1.00 0.00 C ATOM 1043 CE LYS A 68 -3.721 -11.607 -3.703 1.00 0.00 C ATOM 1044 NZ LYS A 68 -2.617 -11.443 -2.736 1.00 0.00 N ATOM 0 H LYS A 68 -1.074 -8.097 -4.785 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.014 -7.663 -6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.097 -7.898 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.540 -7.577 -4.754 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.208 -9.647 -6.050 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.682 -9.946 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.439 -9.667 -3.093 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.445 -10.453 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.449 -12.316 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.334 -12.030 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.996 -12.277 -2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.069 -10.592 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.007 -11.344 -1.777 1.00 0.00 H new ATOM 1058 N PRO A 69 -3.896 -5.257 -6.402 1.00 0.00 N ATOM 1059 CA PRO A 69 -4.178 -3.831 -6.320 1.00 0.00 C ATOM 1060 C PRO A 69 -4.451 -3.406 -4.881 1.00 0.00 C ATOM 1061 O PRO A 69 -4.034 -2.328 -4.459 1.00 0.00 O ATOM 1062 CB PRO A 69 -5.385 -3.610 -7.232 1.00 0.00 C ATOM 1063 CG PRO A 69 -5.997 -4.998 -7.431 1.00 0.00 C ATOM 1064 CD PRO A 69 -4.782 -5.905 -7.357 1.00 0.00 C ATOM 0 HA PRO A 69 -3.331 -3.223 -6.638 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -6.101 -2.925 -6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.084 -3.172 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -6.728 -5.234 -6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -6.509 -5.082 -8.390 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -5.055 -6.907 -7.027 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -4.306 -6.009 -8.332 1.00 0.00 H new ATOM 1072 N SER A 70 -5.133 -4.257 -4.115 1.00 0.00 N ATOM 1073 CA SER A 70 -5.452 -3.996 -2.729 1.00 0.00 C ATOM 1074 C SER A 70 -4.174 -3.802 -1.907 1.00 0.00 C ATOM 1075 O SER A 70 -4.130 -2.906 -1.065 1.00 0.00 O ATOM 1076 CB SER A 70 -6.334 -5.138 -2.198 1.00 0.00 C ATOM 1077 OG SER A 70 -5.938 -6.386 -2.754 1.00 0.00 O ATOM 0 H SER A 70 -5.480 -5.155 -4.452 1.00 0.00 H new ATOM 0 HA SER A 70 -6.014 -3.066 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.265 -5.181 -1.111 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.378 -4.941 -2.443 1.00 0.00 H new ATOM 0 HG SER A 70 -6.511 -7.098 -2.401 1.00 0.00 H new ATOM 1083 N THR A 71 -3.135 -4.602 -2.159 1.00 0.00 N ATOM 1084 CA THR A 71 -1.857 -4.532 -1.468 1.00 0.00 C ATOM 1085 C THR A 71 -1.229 -3.158 -1.712 1.00 0.00 C ATOM 1086 O THR A 71 -0.802 -2.491 -0.766 1.00 0.00 O ATOM 1087 CB THR A 71 -0.969 -5.699 -1.966 1.00 0.00 C ATOM 1088 OG1 THR A 71 -1.654 -6.927 -1.768 1.00 0.00 O ATOM 1089 CG2 THR A 71 0.413 -5.773 -1.320 1.00 0.00 C ATOM 0 H THR A 71 -3.166 -5.334 -2.869 1.00 0.00 H new ATOM 0 HA THR A 71 -1.976 -4.640 -0.390 1.00 0.00 H new ATOM 0 HB THR A 71 -0.788 -5.508 -3.024 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.095 -7.668 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.962 -6.621 -1.731 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.960 -4.853 -1.525 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.305 -5.899 -0.243 1.00 0.00 H new ATOM 1097 N LEU A 72 -1.218 -2.698 -2.964 1.00 0.00 N ATOM 1098 CA LEU A 72 -0.625 -1.415 -3.321 1.00 0.00 C ATOM 1099 C LEU A 72 -1.369 -0.244 -2.699 1.00 0.00 C ATOM 1100 O LEU A 72 -0.727 0.739 -2.349 1.00 0.00 O ATOM 1101 CB LEU A 72 -0.484 -1.241 -4.839 1.00 0.00 C ATOM 1102 CG LEU A 72 -0.040 -2.497 -5.599 1.00 0.00 C ATOM 1103 CD1 LEU A 72 0.052 -2.186 -7.086 1.00 0.00 C ATOM 1104 CD2 LEU A 72 1.274 -3.076 -5.058 1.00 0.00 C ATOM 0 H LEU A 72 -1.619 -3.204 -3.754 1.00 0.00 H new ATOM 0 HA LEU A 72 0.381 -1.419 -2.902 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.442 -0.911 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.235 -0.445 -5.033 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.792 -3.271 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.368 -3.079 -7.626 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.924 -1.867 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.778 -1.389 -7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.544 -3.964 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.065 -2.331 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.149 -3.345 -4.009 1.00 0.00 H new ATOM 1116 N ARG A 73 -2.694 -0.331 -2.517 1.00 0.00 N ATOM 1117 CA ARG A 73 -3.461 0.761 -1.905 1.00 0.00 C ATOM 1118 C ARG A 73 -2.932 1.063 -0.496 1.00 0.00 C ATOM 1119 O ARG A 73 -2.961 2.216 -0.071 1.00 0.00 O ATOM 1120 CB ARG A 73 -4.969 0.425 -1.909 1.00 0.00 C ATOM 1121 CG ARG A 73 -5.865 1.565 -2.429 1.00 0.00 C ATOM 1122 CD ARG A 73 -5.963 2.774 -1.485 1.00 0.00 C ATOM 1123 NE ARG A 73 -7.075 3.676 -1.852 1.00 0.00 N ATOM 1124 CZ ARG A 73 -7.432 4.813 -1.235 1.00 0.00 C ATOM 1125 NH1 ARG A 73 -6.672 5.355 -0.290 1.00 0.00 N ATOM 1126 NH2 ARG A 73 -8.564 5.411 -1.582 1.00 0.00 N ATOM 0 H ARG A 73 -3.253 -1.141 -2.783 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.332 1.668 -2.496 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.132 -0.460 -2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.276 0.169 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.482 1.901 -3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.867 1.173 -2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.103 2.425 -0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.025 3.328 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.632 3.405 -2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.797 4.906 -0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.964 6.220 0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.152 5.006 -2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -8.846 6.276 -1.120 1.00 0.00 H new ATOM 1140 N GLU A 74 -2.416 0.054 0.214 1.00 0.00 N ATOM 1141 CA GLU A 74 -1.866 0.218 1.557 1.00 0.00 C ATOM 1142 C GLU A 74 -0.514 0.929 1.483 1.00 0.00 C ATOM 1143 O GLU A 74 -0.236 1.829 2.273 1.00 0.00 O ATOM 1144 CB GLU A 74 -1.674 -1.146 2.238 1.00 0.00 C ATOM 1145 CG GLU A 74 -2.907 -2.058 2.216 1.00 0.00 C ATOM 1146 CD GLU A 74 -4.102 -1.383 2.875 1.00 0.00 C ATOM 1147 OE1 GLU A 74 -4.103 -1.287 4.123 1.00 0.00 O ATOM 1148 OE2 GLU A 74 -5.003 -0.911 2.151 1.00 0.00 O ATOM 0 H GLU A 74 -2.370 -0.904 -0.132 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.569 0.813 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.848 -1.665 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -1.381 -0.980 3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.154 -2.316 1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.682 -2.991 2.733 1.00 0.00 H new ATOM 1155 N LEU A 75 0.340 0.509 0.540 1.00 0.00 N ATOM 1156 CA LEU A 75 1.663 1.095 0.344 1.00 0.00 C ATOM 1157 C LEU A 75 1.487 2.573 0.000 1.00 0.00 C ATOM 1158 O LEU A 75 2.155 3.424 0.584 1.00 0.00 O ATOM 1159 CB LEU A 75 2.448 0.376 -0.767 1.00 0.00 C ATOM 1160 CG LEU A 75 2.673 -1.133 -0.594 1.00 0.00 C ATOM 1161 CD1 LEU A 75 3.222 -1.733 -1.895 1.00 0.00 C ATOM 1162 CD2 LEU A 75 3.672 -1.414 0.524 1.00 0.00 C ATOM 0 H LEU A 75 0.127 -0.249 -0.108 1.00 0.00 H new ATOM 0 HA LEU A 75 2.240 0.983 1.262 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.924 0.535 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.422 0.856 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 75 1.713 -1.584 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.379 -2.804 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.508 -1.567 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.169 -1.255 -2.145 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.812 -2.490 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.626 -0.944 0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.292 -1.008 1.462 1.00 0.00 H new ATOM 1174 N GLU A 76 0.546 2.865 -0.903 1.00 0.00 N ATOM 1175 CA GLU A 76 0.204 4.203 -1.361 1.00 0.00 C ATOM 1176 C GLU A 76 -0.212 5.047 -0.157 1.00 0.00 C ATOM 1177 O GLU A 76 0.155 6.218 -0.057 1.00 0.00 O ATOM 1178 CB GLU A 76 -0.943 4.086 -2.378 1.00 0.00 C ATOM 1179 CG GLU A 76 -1.530 5.421 -2.861 1.00 0.00 C ATOM 1180 CD GLU A 76 -0.625 6.199 -3.813 1.00 0.00 C ATOM 1181 OE1 GLU A 76 0.592 5.943 -3.877 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -1.169 7.055 -4.547 1.00 0.00 O ATOM 0 H GLU A 76 -0.018 2.142 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 76 1.056 4.685 -1.841 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.583 3.531 -3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.744 3.496 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.480 5.227 -3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.746 6.044 -1.993 1.00 0.00 H new ATOM 1189 N ARG A 77 -1.006 4.463 0.752 1.00 0.00 N ATOM 1190 CA ARG A 77 -1.471 5.145 1.949 1.00 0.00 C ATOM 1191 C ARG A 77 -0.269 5.550 2.792 1.00 0.00 C ATOM 1192 O ARG A 77 -0.199 6.718 3.183 1.00 0.00 O ATOM 1193 CB ARG A 77 -2.447 4.235 2.736 1.00 0.00 C ATOM 1194 CG ARG A 77 -3.648 4.994 3.317 1.00 0.00 C ATOM 1195 CD ARG A 77 -4.489 4.152 4.293 1.00 0.00 C ATOM 1196 NE ARG A 77 -4.983 2.879 3.726 1.00 0.00 N ATOM 1197 CZ ARG A 77 -6.078 2.202 4.104 1.00 0.00 C ATOM 1198 NH1 ARG A 77 -6.977 2.741 4.920 1.00 0.00 N ATOM 1199 NH2 ARG A 77 -6.283 0.953 3.716 1.00 0.00 N ATOM 0 H ARG A 77 -1.339 3.503 0.670 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.018 6.048 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.809 3.446 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.906 3.749 3.548 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.290 5.885 3.833 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.284 5.333 2.499 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.890 3.934 5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.342 4.744 4.624 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.434 2.473 2.968 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.842 3.689 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -7.802 2.207 5.194 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.601 0.486 3.118 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.123 0.457 4.015 1.00 0.00 H new ATOM 1213 N TYR A 78 0.660 4.625 3.034 1.00 0.00 N ATOM 1214 CA TYR A 78 1.853 4.854 3.829 1.00 0.00 C ATOM 1215 C TYR A 78 2.772 5.920 3.223 1.00 0.00 C ATOM 1216 O TYR A 78 3.091 6.883 3.928 1.00 0.00 O ATOM 1217 CB TYR A 78 2.590 3.528 4.053 1.00 0.00 C ATOM 1218 CG TYR A 78 3.937 3.699 4.729 1.00 0.00 C ATOM 1219 CD1 TYR A 78 4.026 3.882 6.122 1.00 0.00 C ATOM 1220 CD2 TYR A 78 5.106 3.737 3.949 1.00 0.00 C ATOM 1221 CE1 TYR A 78 5.271 4.138 6.729 1.00 0.00 C ATOM 1222 CE2 TYR A 78 6.349 3.989 4.551 1.00 0.00 C ATOM 1223 CZ TYR A 78 6.443 4.208 5.944 1.00 0.00 C ATOM 1224 OH TYR A 78 7.656 4.413 6.531 1.00 0.00 O ATOM 0 H TYR A 78 0.596 3.674 2.671 1.00 0.00 H new ATOM 0 HA TYR A 78 1.540 5.250 4.795 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.967 2.872 4.660 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.733 3.033 3.093 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.134 3.826 6.729 1.00 0.00 H new ATOM 0 HD2 TYR A 78 5.048 3.572 2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.330 4.281 7.798 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.242 4.016 3.944 1.00 0.00 H new ATOM 0 HH TYR A 78 8.353 4.433 5.843 1.00 0.00 H new ATOM 1234 N VAL A 79 3.204 5.800 1.957 1.00 0.00 N ATOM 1235 CA VAL A 79 4.095 6.785 1.359 1.00 0.00 C ATOM 1236 C VAL A 79 3.428 8.158 1.353 1.00 0.00 C ATOM 1237 O VAL A 79 4.041 9.133 1.783 1.00 0.00 O ATOM 1238 CB VAL A 79 4.602 6.313 -0.021 1.00 0.00 C ATOM 1239 CG1 VAL A 79 5.266 4.934 0.093 1.00 0.00 C ATOM 1240 CG2 VAL A 79 3.540 6.262 -1.126 1.00 0.00 C ATOM 0 H VAL A 79 2.947 5.032 1.337 1.00 0.00 H new ATOM 0 HA VAL A 79 4.994 6.888 1.967 1.00 0.00 H new ATOM 0 HB VAL A 79 5.319 7.076 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.617 4.617 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.111 4.993 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.542 4.212 0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.997 5.919 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.746 5.574 -0.836 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.121 7.257 -1.274 1.00 0.00 H new ATOM 1250 N THR A 80 2.144 8.234 1.010 1.00 0.00 N ATOM 1251 CA THR A 80 1.424 9.497 0.974 1.00 0.00 C ATOM 1252 C THR A 80 1.256 10.100 2.376 1.00 0.00 C ATOM 1253 O THR A 80 0.935 11.276 2.504 1.00 0.00 O ATOM 1254 CB THR A 80 0.120 9.292 0.188 1.00 0.00 C ATOM 1255 OG1 THR A 80 0.426 8.753 -1.083 1.00 0.00 O ATOM 1256 CG2 THR A 80 -0.645 10.591 -0.039 1.00 0.00 C ATOM 0 H THR A 80 1.579 7.425 0.751 1.00 0.00 H new ATOM 0 HA THR A 80 2.000 10.255 0.444 1.00 0.00 H new ATOM 0 HB THR A 80 -0.504 8.623 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.408 7.774 -1.036 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.557 10.383 -0.599 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.903 11.034 0.923 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.023 11.286 -0.603 1.00 0.00 H new ATOM 1264 N SER A 81 1.484 9.344 3.446 1.00 0.00 N ATOM 1265 CA SER A 81 1.394 9.838 4.814 1.00 0.00 C ATOM 1266 C SER A 81 2.771 10.368 5.249 1.00 0.00 C ATOM 1267 O SER A 81 2.851 11.471 5.797 1.00 0.00 O ATOM 1268 CB SER A 81 0.848 8.743 5.731 1.00 0.00 C ATOM 1269 OG SER A 81 -0.407 8.298 5.253 1.00 0.00 O ATOM 0 H SER A 81 1.740 8.358 3.385 1.00 0.00 H new ATOM 0 HA SER A 81 0.692 10.669 4.880 1.00 0.00 H new ATOM 0 HB2 SER A 81 1.548 7.909 5.773 1.00 0.00 H new ATOM 0 HB3 SER A 81 0.746 9.124 6.747 1.00 0.00 H new ATOM 0 HG SER A 81 -0.275 7.738 4.459 1.00 0.00 H new ATOM 1275 N CYS A 82 3.863 9.633 4.995 1.00 0.00 N ATOM 1276 CA CYS A 82 5.222 10.055 5.362 1.00 0.00 C ATOM 1277 C CYS A 82 5.788 11.141 4.447 1.00 0.00 C ATOM 1278 O CYS A 82 6.597 11.952 4.890 1.00 0.00 O ATOM 1279 CB CYS A 82 6.207 8.882 5.235 1.00 0.00 C ATOM 1280 SG CYS A 82 5.980 7.649 6.533 1.00 0.00 S ATOM 0 H CYS A 82 3.828 8.727 4.528 1.00 0.00 H new ATOM 0 HA CYS A 82 5.127 10.427 6.382 1.00 0.00 H new ATOM 0 HB2 CYS A 82 6.080 8.408 4.262 1.00 0.00 H new ATOM 0 HB3 CYS A 82 7.228 9.262 5.274 1.00 0.00 H new ATOM 0 HG CYS A 82 6.168 6.461 6.040 1.00 0.00 H new ATOM 1286 N LEU A 83 5.426 11.097 3.165 1.00 0.00 N ATOM 1287 CA LEU A 83 5.882 12.009 2.128 1.00 0.00 C ATOM 1288 C LEU A 83 4.873 13.079 1.765 1.00 0.00 C ATOM 1289 O LEU A 83 5.273 14.227 1.568 1.00 0.00 O ATOM 1290 CB LEU A 83 6.235 11.217 0.864 1.00 0.00 C ATOM 1291 CG LEU A 83 7.176 10.027 1.114 1.00 0.00 C ATOM 1292 CD1 LEU A 83 7.298 9.203 -0.151 1.00 0.00 C ATOM 1293 CD2 LEU A 83 8.563 10.497 1.563 1.00 0.00 C ATOM 0 H LEU A 83 4.779 10.393 2.810 1.00 0.00 H new ATOM 0 HA LEU A 83 6.755 12.518 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.315 10.850 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.701 11.890 0.144 1.00 0.00 H new ATOM 0 HG LEU A 83 6.752 9.419 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.965 8.360 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.314 8.833 -0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.702 9.823 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.204 9.631 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 83 9.001 11.128 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.472 11.067 2.488 1.00 0.00 H new