USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 534 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 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.307) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -118:sc= 2.04 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -1.69 F(o=-2.4!,f=-1.7) USER MOD Single : A 35 CYS SG : rot 130:sc= -0.509 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc=-0.00648 X(o=-0.0065,f=-0.17) USER MOD Single : A 45 HIS : no HD1:sc=-0.00615 K(o=-0.0061,f=-1.4) USER MOD Single : A 46 CYS SG : rot 180:sc= -3.43 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.83! C(o=-4.8!,f=-11!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.11) USER MOD Single : A 52 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.9!) USER MOD Single : A 54 GLN : amide:sc= -0.301 X(o=-0.3,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 175:sc= 0.00238 (180deg=0.00144) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.00835 USER MOD Single : A 72 THR OG1 : rot -160:sc= -1.67 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.153) USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 18 9.973 0.400 0.891 1.00 0.00 N ATOM 194 CA ARG A 18 8.696 1.011 0.543 1.00 0.00 C ATOM 195 C ARG A 18 8.638 1.339 -0.947 1.00 0.00 C ATOM 196 O ARG A 18 9.568 1.926 -1.499 1.00 0.00 O ATOM 197 CB ARG A 18 8.474 2.282 1.364 1.00 0.00 C ATOM 198 CG ARG A 18 8.520 2.052 2.866 1.00 0.00 C ATOM 199 CD ARG A 18 7.285 1.310 3.354 1.00 0.00 C ATOM 200 NE ARG A 18 6.143 2.203 3.529 1.00 0.00 N ATOM 201 CZ ARG A 18 5.128 1.946 4.347 1.00 0.00 C ATOM 202 NH1 ARG A 18 5.114 0.829 5.060 1.00 0.00 N ATOM 203 NH2 ARG A 18 4.125 2.808 4.452 1.00 0.00 N ATOM 0 HA ARG A 18 7.906 0.296 0.772 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.233 3.016 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.507 2.711 1.100 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.413 1.481 3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.597 3.010 3.380 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.027 0.527 2.641 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.508 0.818 4.300 1.00 0.00 H new ATOM 0 HE ARG A 18 6.123 3.071 2.994 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.884 0.164 4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.334 0.634 5.687 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.133 3.669 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.346 2.610 5.080 1.00 0.00 H new ATOM 217 N GLU A 19 7.541 0.954 -1.590 1.00 0.00 N ATOM 218 CA GLU A 19 7.363 1.206 -3.015 1.00 0.00 C ATOM 219 C GLU A 19 6.264 2.237 -3.253 1.00 0.00 C ATOM 220 O GLU A 19 5.359 2.398 -2.433 1.00 0.00 O ATOM 221 CB GLU A 19 7.025 -0.095 -3.747 1.00 0.00 C ATOM 222 CG GLU A 19 8.047 -1.198 -3.533 1.00 0.00 C ATOM 223 CD GLU A 19 9.287 -1.019 -4.387 1.00 0.00 C ATOM 224 OE1 GLU A 19 9.962 0.021 -4.243 1.00 0.00 O ATOM 225 OE2 GLU A 19 9.581 -1.920 -5.201 1.00 0.00 O ATOM 0 H GLU A 19 6.762 0.466 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 19 8.299 1.603 -3.407 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.049 -0.446 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.942 0.110 -4.814 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.335 -1.222 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.590 -2.161 -3.761 1.00 0.00 H new ATOM 232 N THR A 20 6.349 2.935 -4.381 1.00 0.00 N ATOM 233 CA THR A 20 5.363 3.952 -4.727 1.00 0.00 C ATOM 234 C THR A 20 4.746 3.677 -6.093 1.00 0.00 C ATOM 235 O THR A 20 5.419 3.195 -7.004 1.00 0.00 O ATOM 236 CB THR A 20 5.987 5.360 -4.732 1.00 0.00 C ATOM 237 OG1 THR A 20 6.850 5.509 -5.865 1.00 0.00 O ATOM 238 CG2 THR A 20 6.774 5.608 -3.453 1.00 0.00 C ATOM 0 H THR A 20 7.091 2.815 -5.071 1.00 0.00 H new ATOM 0 HA THR A 20 4.585 3.910 -3.965 1.00 0.00 H new ATOM 0 HB THR A 20 5.180 6.091 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.242 6.407 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.205 6.609 -3.479 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.109 5.522 -2.594 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.572 4.871 -3.368 1.00 0.00 H new ATOM 246 N GLY A 21 3.461 3.988 -6.231 1.00 0.00 N ATOM 247 CA GLY A 21 2.775 3.768 -7.490 1.00 0.00 C ATOM 248 C GLY A 21 1.676 4.782 -7.737 1.00 0.00 C ATOM 249 O GLY A 21 1.848 5.972 -7.472 1.00 0.00 O ATOM 0 H GLY A 21 2.883 4.389 -5.493 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.496 3.813 -8.306 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.348 2.765 -7.497 1.00 0.00 H new ATOM 253 N VAL A 22 0.542 4.311 -8.247 1.00 0.00 N ATOM 254 CA VAL A 22 -0.590 5.186 -8.530 1.00 0.00 C ATOM 255 C VAL A 22 -1.908 4.425 -8.441 1.00 0.00 C ATOM 256 O VAL A 22 -2.094 3.407 -9.109 1.00 0.00 O ATOM 257 CB VAL A 22 -0.471 5.824 -9.926 1.00 0.00 C ATOM 258 CG1 VAL A 22 -0.793 4.804 -11.008 1.00 0.00 C ATOM 259 CG2 VAL A 22 -1.382 7.037 -10.037 1.00 0.00 C ATOM 0 H VAL A 22 0.383 3.329 -8.472 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.577 5.974 -7.777 1.00 0.00 H new ATOM 0 HB VAL A 22 0.557 6.157 -10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.704 5.273 -11.988 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.095 3.969 -10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.811 4.438 -10.872 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.285 7.475 -11.030 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.416 6.732 -9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.099 7.774 -9.286 1.00 0.00 H new ATOM 269 N ILE A 23 -2.820 4.925 -7.614 1.00 0.00 N ATOM 270 CA ILE A 23 -4.122 4.293 -7.440 1.00 0.00 C ATOM 271 C ILE A 23 -4.846 4.150 -8.774 1.00 0.00 C ATOM 272 O ILE A 23 -5.550 5.061 -9.210 1.00 0.00 O ATOM 273 CB ILE A 23 -5.010 5.093 -6.469 1.00 0.00 C ATOM 274 CG1 ILE A 23 -4.334 5.208 -5.102 1.00 0.00 C ATOM 275 CG2 ILE A 23 -6.375 4.434 -6.337 1.00 0.00 C ATOM 276 CD1 ILE A 23 -4.377 3.929 -4.296 1.00 0.00 C ATOM 0 H ILE A 23 -2.681 5.766 -7.054 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.940 3.303 -7.021 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.149 6.097 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.294 5.504 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.817 6.003 -4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.992 5.010 -5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.858 4.399 -7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.254 3.420 -5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.879 4.085 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.414 3.643 -4.123 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.869 3.136 -4.844 1.00 0.00 H new ATOM 288 N GLU A 24 -4.670 3.000 -9.417 1.00 0.00 N ATOM 289 CA GLU A 24 -5.308 2.738 -10.702 1.00 0.00 C ATOM 290 C GLU A 24 -6.817 2.580 -10.537 1.00 0.00 C ATOM 291 O GLU A 24 -7.596 3.058 -11.362 1.00 0.00 O ATOM 292 CB GLU A 24 -4.720 1.478 -11.341 1.00 0.00 C ATOM 293 CG GLU A 24 -4.944 1.396 -12.842 1.00 0.00 C ATOM 294 CD GLU A 24 -4.722 2.724 -13.539 1.00 0.00 C ATOM 295 OE1 GLU A 24 -3.803 3.463 -13.129 1.00 0.00 O ATOM 296 OE2 GLU A 24 -5.469 3.024 -14.494 1.00 0.00 O ATOM 0 H GLU A 24 -4.091 2.235 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.117 3.590 -11.354 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.649 1.444 -11.139 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.161 0.601 -10.868 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.271 0.651 -13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.961 1.054 -13.036 1.00 0.00 H new ATOM 303 N LYS A 25 -7.223 1.907 -9.466 1.00 0.00 N ATOM 304 CA LYS A 25 -8.637 1.686 -9.191 1.00 0.00 C ATOM 305 C LYS A 25 -8.918 1.761 -7.693 1.00 0.00 C ATOM 306 O LYS A 25 -8.032 1.518 -6.872 1.00 0.00 O ATOM 307 CB LYS A 25 -9.078 0.326 -9.736 1.00 0.00 C ATOM 308 CG LYS A 25 -10.515 0.304 -10.227 1.00 0.00 C ATOM 309 CD LYS A 25 -11.475 -0.111 -9.125 1.00 0.00 C ATOM 310 CE LYS A 25 -12.681 -0.848 -9.685 1.00 0.00 C ATOM 311 NZ LYS A 25 -12.400 -2.295 -9.895 1.00 0.00 N ATOM 0 H LYS A 25 -6.591 1.505 -8.773 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.205 2.471 -9.690 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.418 0.041 -10.556 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.958 -0.425 -8.955 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.789 1.292 -10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.603 -0.386 -11.066 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -10.956 -0.750 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.808 0.772 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -13.523 -0.737 -9.002 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.976 -0.395 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.342 -2.493 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.497 -2.543 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.164 -2.862 -9.475 1.00 0.00 H new ATOM 325 N LEU A 26 -10.155 2.095 -7.344 1.00 0.00 N ATOM 326 CA LEU A 26 -10.554 2.200 -5.944 1.00 0.00 C ATOM 327 C LEU A 26 -12.005 1.769 -5.758 1.00 0.00 C ATOM 328 O LEU A 26 -12.878 2.130 -6.548 1.00 0.00 O ATOM 329 CB LEU A 26 -10.367 3.634 -5.446 1.00 0.00 C ATOM 330 CG LEU A 26 -10.226 3.806 -3.934 1.00 0.00 C ATOM 331 CD1 LEU A 26 -8.768 3.684 -3.517 1.00 0.00 C ATOM 332 CD2 LEU A 26 -10.798 5.146 -3.493 1.00 0.00 C ATOM 0 H LEU A 26 -10.900 2.298 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.919 1.534 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.480 4.050 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.217 4.228 -5.781 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.791 3.014 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.687 3.809 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.390 2.701 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.181 4.455 -4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.689 5.251 -2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.261 5.953 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.854 5.195 -3.757 1.00 0.00 H new ATOM 344 N LEU A 27 -12.256 0.997 -4.706 1.00 0.00 N ATOM 345 CA LEU A 27 -13.603 0.518 -4.413 1.00 0.00 C ATOM 346 C LEU A 27 -13.992 0.834 -2.973 1.00 0.00 C ATOM 347 O LEU A 27 -13.241 1.483 -2.243 1.00 0.00 O ATOM 348 CB LEU A 27 -13.694 -0.989 -4.660 1.00 0.00 C ATOM 349 CG LEU A 27 -13.351 -1.460 -6.073 1.00 0.00 C ATOM 350 CD1 LEU A 27 -11.857 -1.713 -6.203 1.00 0.00 C ATOM 351 CD2 LEU A 27 -14.138 -2.714 -6.424 1.00 0.00 C ATOM 0 H LEU A 27 -11.545 0.690 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.298 1.031 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.028 -1.492 -3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.708 -1.315 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.629 -0.673 -6.774 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.631 -2.048 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.313 -0.792 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.555 -2.481 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.881 -3.034 -7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.892 -3.507 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.206 -2.500 -6.372 1.00 0.00 H new ATOM 363 N THR A 28 -15.169 0.368 -2.567 1.00 0.00 N ATOM 364 CA THR A 28 -15.658 0.600 -1.214 1.00 0.00 C ATOM 365 C THR A 28 -15.069 -0.411 -0.236 1.00 0.00 C ATOM 366 O THR A 28 -15.167 -0.243 0.979 1.00 0.00 O ATOM 367 CB THR A 28 -17.195 0.523 -1.150 1.00 0.00 C ATOM 368 OG1 THR A 28 -17.771 1.498 -2.026 1.00 0.00 O ATOM 369 CG2 THR A 28 -17.690 0.753 0.269 1.00 0.00 C ATOM 0 H THR A 28 -15.802 -0.173 -3.157 1.00 0.00 H new ATOM 0 HA THR A 28 -15.340 1.604 -0.931 1.00 0.00 H new ATOM 0 HB THR A 28 -17.500 -0.474 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 28 -18.748 1.442 -1.981 1.00 0.00 H new ATOM 0 HG21 THR A 28 -18.778 0.694 0.289 1.00 0.00 H new ATOM 0 HG22 THR A 28 -17.273 -0.009 0.928 1.00 0.00 H new ATOM 0 HG23 THR A 28 -17.374 1.739 0.609 1.00 0.00 H new ATOM 377 N SER A 29 -14.456 -1.460 -0.775 1.00 0.00 N ATOM 378 CA SER A 29 -13.854 -2.500 0.051 1.00 0.00 C ATOM 379 C SER A 29 -12.331 -2.442 -0.028 1.00 0.00 C ATOM 380 O SER A 29 -11.638 -2.660 0.967 1.00 0.00 O ATOM 381 CB SER A 29 -14.346 -3.880 -0.390 1.00 0.00 C ATOM 382 OG SER A 29 -13.575 -4.910 0.203 1.00 0.00 O ATOM 0 H SER A 29 -14.363 -1.612 -1.779 1.00 0.00 H new ATOM 0 HA SER A 29 -14.154 -2.328 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.394 -4.001 -0.114 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.291 -3.959 -1.476 1.00 0.00 H new ATOM 0 HG SER A 29 -13.129 -5.430 -0.498 1.00 0.00 H new ATOM 388 N TYR A 30 -11.817 -2.147 -1.217 1.00 0.00 N ATOM 389 CA TYR A 30 -10.377 -2.063 -1.427 1.00 0.00 C ATOM 390 C TYR A 30 -10.057 -1.284 -2.699 1.00 0.00 C ATOM 391 O TYR A 30 -10.956 -0.813 -3.395 1.00 0.00 O ATOM 392 CB TYR A 30 -9.769 -3.464 -1.507 1.00 0.00 C ATOM 393 CG TYR A 30 -10.705 -4.498 -2.091 1.00 0.00 C ATOM 394 CD1 TYR A 30 -11.126 -4.414 -3.413 1.00 0.00 C ATOM 395 CD2 TYR A 30 -11.168 -5.558 -1.322 1.00 0.00 C ATOM 396 CE1 TYR A 30 -11.982 -5.356 -3.951 1.00 0.00 C ATOM 397 CE2 TYR A 30 -12.023 -6.505 -1.852 1.00 0.00 C ATOM 398 CZ TYR A 30 -12.427 -6.400 -3.167 1.00 0.00 C ATOM 399 OH TYR A 30 -13.280 -7.340 -3.698 1.00 0.00 O ATOM 0 H TYR A 30 -12.376 -1.962 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 30 -9.942 -1.534 -0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.863 -3.424 -2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.471 -3.779 -0.507 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.778 -3.599 -4.030 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.854 -5.643 -0.292 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -12.301 -5.275 -4.980 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -12.373 -7.323 -1.240 1.00 0.00 H new ATOM 0 HH TYR A 30 -13.497 -8.008 -3.015 1.00 0.00 H new ATOM 409 N GLY A 31 -8.768 -1.153 -2.997 1.00 0.00 N ATOM 410 CA GLY A 31 -8.350 -0.432 -4.185 1.00 0.00 C ATOM 411 C GLY A 31 -7.081 -0.997 -4.791 1.00 0.00 C ATOM 412 O GLY A 31 -6.311 -1.679 -4.113 1.00 0.00 O ATOM 0 H GLY A 31 -8.005 -1.534 -2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.149 -0.465 -4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.193 0.617 -3.933 1.00 0.00 H new ATOM 416 N PHE A 32 -6.861 -0.715 -6.070 1.00 0.00 N ATOM 417 CA PHE A 32 -5.677 -1.203 -6.768 1.00 0.00 C ATOM 418 C PHE A 32 -4.663 -0.080 -6.969 1.00 0.00 C ATOM 419 O PHE A 32 -5.034 1.080 -7.150 1.00 0.00 O ATOM 420 CB PHE A 32 -6.067 -1.801 -8.122 1.00 0.00 C ATOM 421 CG PHE A 32 -6.927 -3.027 -8.009 1.00 0.00 C ATOM 422 CD1 PHE A 32 -8.289 -2.915 -7.777 1.00 0.00 C ATOM 423 CD2 PHE A 32 -6.375 -4.291 -8.137 1.00 0.00 C ATOM 424 CE1 PHE A 32 -9.082 -4.041 -7.672 1.00 0.00 C ATOM 425 CE2 PHE A 32 -7.164 -5.421 -8.034 1.00 0.00 C ATOM 426 CZ PHE A 32 -8.520 -5.296 -7.802 1.00 0.00 C ATOM 0 H PHE A 32 -7.487 -0.151 -6.645 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.218 -1.978 -6.155 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -6.597 -1.047 -8.704 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.161 -2.052 -8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.735 -1.936 -7.677 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.316 -4.395 -8.319 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.141 -3.940 -7.488 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.721 -6.401 -8.135 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.139 -6.177 -7.722 1.00 0.00 H new ATOM 436 N ILE A 33 -3.383 -0.434 -6.935 1.00 0.00 N ATOM 437 CA ILE A 33 -2.316 0.543 -7.113 1.00 0.00 C ATOM 438 C ILE A 33 -1.363 0.119 -8.225 1.00 0.00 C ATOM 439 O ILE A 33 -0.631 -0.861 -8.088 1.00 0.00 O ATOM 440 CB ILE A 33 -1.514 0.744 -5.814 1.00 0.00 C ATOM 441 CG1 ILE A 33 -2.389 1.402 -4.745 1.00 0.00 C ATOM 442 CG2 ILE A 33 -0.274 1.584 -6.082 1.00 0.00 C ATOM 443 CD1 ILE A 33 -2.002 1.027 -3.332 1.00 0.00 C ATOM 0 H ILE A 33 -3.060 -1.390 -6.786 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.793 1.485 -7.385 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.196 -0.231 -5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.329 2.485 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.429 1.122 -4.915 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.283 1.717 -5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.356 1.079 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.571 2.558 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.665 1.530 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.089 -0.052 -3.205 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.973 1.332 -3.143 1.00 0.00 H new ATOM 455 N GLN A 34 -1.376 0.865 -9.325 1.00 0.00 N ATOM 456 CA GLN A 34 -0.511 0.566 -10.461 1.00 0.00 C ATOM 457 C GLN A 34 0.910 1.058 -10.207 1.00 0.00 C ATOM 458 O GLN A 34 1.198 2.248 -10.336 1.00 0.00 O ATOM 459 CB GLN A 34 -1.066 1.208 -11.734 1.00 0.00 C ATOM 460 CG GLN A 34 -0.132 1.095 -12.928 1.00 0.00 C ATOM 461 CD GLN A 34 -0.399 -0.143 -13.762 1.00 0.00 C ATOM 462 OE1 GLN A 34 0.261 -1.242 -13.419 1.00 0.00 O flip ATOM 463 NE2 GLN A 34 -1.190 -0.111 -14.706 1.00 0.00 N flip ATOM 0 H GLN A 34 -1.975 1.680 -9.454 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.484 -0.516 -10.590 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.018 0.739 -11.982 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.270 2.261 -11.541 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.240 1.981 -13.554 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.900 1.077 -12.577 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.676 0.756 -14.935 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.359 -0.952 -15.259 1.00 0.00 H new ATOM 472 N CYS A 35 1.794 0.135 -9.845 1.00 0.00 N ATOM 473 CA CYS A 35 3.186 0.475 -9.572 1.00 0.00 C ATOM 474 C CYS A 35 3.768 1.328 -10.694 1.00 0.00 C ATOM 475 O CYS A 35 3.536 1.062 -11.874 1.00 0.00 O ATOM 476 CB CYS A 35 4.018 -0.797 -9.397 1.00 0.00 C ATOM 477 SG CYS A 35 4.110 -1.390 -7.692 1.00 0.00 S ATOM 0 H CYS A 35 1.572 -0.854 -9.734 1.00 0.00 H new ATOM 0 HA CYS A 35 3.219 1.052 -8.648 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.595 -1.584 -10.022 1.00 0.00 H new ATOM 0 HB3 CYS A 35 5.029 -0.610 -9.760 1.00 0.00 H new ATOM 0 HG CYS A 35 3.813 -2.655 -7.656 1.00 0.00 H new ATOM 483 N SER A 36 4.524 2.355 -10.319 1.00 0.00 N ATOM 484 CA SER A 36 5.134 3.251 -11.294 1.00 0.00 C ATOM 485 C SER A 36 6.621 2.946 -11.456 1.00 0.00 C ATOM 486 O SER A 36 7.340 3.664 -12.150 1.00 0.00 O ATOM 487 CB SER A 36 4.945 4.708 -10.869 1.00 0.00 C ATOM 488 OG SER A 36 4.798 5.554 -11.996 1.00 0.00 O ATOM 0 H SER A 36 4.729 2.587 -9.347 1.00 0.00 H new ATOM 0 HA SER A 36 4.641 3.093 -12.253 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.066 4.792 -10.230 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.801 5.031 -10.277 1.00 0.00 H new ATOM 0 HG SER A 36 4.677 6.479 -11.697 1.00 0.00 H new ATOM 494 N GLU A 37 7.072 1.875 -10.810 1.00 0.00 N ATOM 495 CA GLU A 37 8.473 1.476 -10.881 1.00 0.00 C ATOM 496 C GLU A 37 8.615 0.106 -11.539 1.00 0.00 C ATOM 497 O GLU A 37 9.510 -0.112 -12.355 1.00 0.00 O ATOM 498 CB GLU A 37 9.090 1.448 -9.481 1.00 0.00 C ATOM 499 CG GLU A 37 8.452 2.431 -8.515 1.00 0.00 C ATOM 500 CD GLU A 37 9.417 2.913 -7.450 1.00 0.00 C ATOM 501 OE1 GLU A 37 10.037 2.061 -6.781 1.00 0.00 O ATOM 502 OE2 GLU A 37 9.553 4.144 -7.286 1.00 0.00 O ATOM 0 H GLU A 37 6.489 1.269 -10.233 1.00 0.00 H new ATOM 0 HA GLU A 37 9.003 2.209 -11.489 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.000 0.441 -9.074 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.155 1.667 -9.558 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.074 3.288 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 37 7.594 1.959 -8.036 1.00 0.00 H new ATOM 509 N ARG A 38 7.726 -0.813 -11.175 1.00 0.00 N ATOM 510 CA ARG A 38 7.753 -2.162 -11.728 1.00 0.00 C ATOM 511 C ARG A 38 6.718 -2.315 -12.839 1.00 0.00 C ATOM 512 O ARG A 38 6.745 -3.286 -13.595 1.00 0.00 O ATOM 513 CB ARG A 38 7.492 -3.192 -10.627 1.00 0.00 C ATOM 514 CG ARG A 38 6.174 -2.984 -9.899 1.00 0.00 C ATOM 515 CD ARG A 38 5.830 -4.176 -9.019 1.00 0.00 C ATOM 516 NE ARG A 38 6.292 -5.435 -9.598 1.00 0.00 N ATOM 517 CZ ARG A 38 7.517 -5.917 -9.425 1.00 0.00 C ATOM 518 NH1 ARG A 38 8.399 -5.250 -8.693 1.00 0.00 N ATOM 519 NH2 ARG A 38 7.863 -7.070 -9.984 1.00 0.00 N ATOM 0 H ARG A 38 6.979 -0.648 -10.500 1.00 0.00 H new ATOM 0 HA ARG A 38 8.743 -2.335 -12.151 1.00 0.00 H new ATOM 0 HB2 ARG A 38 7.502 -4.190 -11.065 1.00 0.00 H new ATOM 0 HB3 ARG A 38 8.307 -3.153 -9.904 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.233 -2.084 -9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.377 -2.824 -10.625 1.00 0.00 H new ATOM 0 HD2 ARG A 38 6.280 -4.042 -8.035 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.751 -4.219 -8.872 1.00 0.00 H new ATOM 0 HE ARG A 38 5.638 -5.973 -10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.137 -4.364 -8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.339 -5.623 -8.562 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.188 -7.587 -10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.804 -7.439 -9.850 1.00 0.00 H new ATOM 533 N GLN A 39 5.808 -1.351 -12.929 1.00 0.00 N ATOM 534 CA GLN A 39 4.764 -1.380 -13.947 1.00 0.00 C ATOM 535 C GLN A 39 3.840 -2.577 -13.745 1.00 0.00 C ATOM 536 O GLN A 39 3.528 -3.299 -14.691 1.00 0.00 O ATOM 537 CB GLN A 39 5.385 -1.430 -15.344 1.00 0.00 C ATOM 538 CG GLN A 39 5.634 -0.058 -15.948 1.00 0.00 C ATOM 539 CD GLN A 39 5.747 -0.098 -17.459 1.00 0.00 C ATOM 540 OE1 GLN A 39 4.869 -0.622 -18.145 1.00 0.00 O ATOM 541 NE2 GLN A 39 6.831 0.458 -17.987 1.00 0.00 N ATOM 0 H GLN A 39 5.772 -0.541 -12.310 1.00 0.00 H new ATOM 0 HA GLN A 39 4.174 -0.468 -13.852 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.329 -1.972 -15.294 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.728 -1.995 -16.005 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.822 0.612 -15.666 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.550 0.358 -15.530 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.534 0.881 -17.381 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.961 0.462 -18.999 1.00 0.00 H new ATOM 550 N ALA A 40 3.406 -2.781 -12.505 1.00 0.00 N ATOM 551 CA ALA A 40 2.517 -3.889 -12.179 1.00 0.00 C ATOM 552 C ALA A 40 1.333 -3.416 -11.344 1.00 0.00 C ATOM 553 O ALA A 40 1.500 -2.665 -10.383 1.00 0.00 O ATOM 554 CB ALA A 40 3.281 -4.980 -11.444 1.00 0.00 C ATOM 0 H ALA A 40 3.656 -2.193 -11.710 1.00 0.00 H new ATOM 0 HA ALA A 40 2.129 -4.298 -13.112 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.605 -5.801 -11.207 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.090 -5.347 -12.076 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.697 -4.575 -10.522 1.00 0.00 H new ATOM 560 N ARG A 41 0.136 -3.858 -11.718 1.00 0.00 N ATOM 561 CA ARG A 41 -1.076 -3.478 -11.004 1.00 0.00 C ATOM 562 C ARG A 41 -1.176 -4.213 -9.670 1.00 0.00 C ATOM 563 O ARG A 41 -1.488 -5.404 -9.627 1.00 0.00 O ATOM 564 CB ARG A 41 -2.311 -3.777 -11.856 1.00 0.00 C ATOM 565 CG ARG A 41 -2.728 -2.621 -12.751 1.00 0.00 C ATOM 566 CD ARG A 41 -3.429 -3.113 -14.007 1.00 0.00 C ATOM 567 NE ARG A 41 -4.409 -2.150 -14.500 1.00 0.00 N ATOM 568 CZ ARG A 41 -4.902 -2.168 -15.734 1.00 0.00 C ATOM 569 NH1 ARG A 41 -4.506 -3.096 -16.595 1.00 0.00 N ATOM 570 NH2 ARG A 41 -5.791 -1.258 -16.108 1.00 0.00 N ATOM 0 H ARG A 41 -0.019 -4.480 -12.512 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.029 -2.407 -10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.112 -4.651 -12.475 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.142 -4.035 -11.199 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.392 -1.954 -12.200 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.849 -2.039 -13.028 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.689 -3.306 -14.783 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.926 -4.060 -13.797 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.733 -1.423 -13.862 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.822 -3.797 -16.310 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.885 -3.108 -17.542 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.097 -0.543 -15.448 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.168 -1.273 -17.055 1.00 0.00 H new ATOM 584 N LEU A 42 -0.907 -3.497 -8.584 1.00 0.00 N ATOM 585 CA LEU A 42 -0.965 -4.080 -7.249 1.00 0.00 C ATOM 586 C LEU A 42 -2.376 -3.989 -6.676 1.00 0.00 C ATOM 587 O LEU A 42 -3.222 -3.260 -7.194 1.00 0.00 O ATOM 588 CB LEU A 42 0.022 -3.374 -6.318 1.00 0.00 C ATOM 589 CG LEU A 42 1.430 -3.967 -6.258 1.00 0.00 C ATOM 590 CD1 LEU A 42 2.217 -3.357 -5.109 1.00 0.00 C ATOM 591 CD2 LEU A 42 1.365 -5.481 -6.118 1.00 0.00 C ATOM 0 H LEU A 42 -0.646 -2.511 -8.602 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.691 -5.132 -7.327 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.101 -2.332 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.395 -3.376 -5.311 1.00 0.00 H new ATOM 0 HG LEU A 42 1.944 -3.730 -7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.217 -3.791 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.293 -2.279 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.706 -3.563 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.376 -5.886 -6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.833 -5.739 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.839 -5.903 -6.974 1.00 0.00 H new ATOM 603 N PHE A 43 -2.622 -4.733 -5.602 1.00 0.00 N ATOM 604 CA PHE A 43 -3.930 -4.736 -4.958 1.00 0.00 C ATOM 605 C PHE A 43 -3.809 -4.378 -3.480 1.00 0.00 C ATOM 606 O PHE A 43 -3.333 -5.177 -2.673 1.00 0.00 O ATOM 607 CB PHE A 43 -4.594 -6.106 -5.110 1.00 0.00 C ATOM 608 CG PHE A 43 -5.495 -6.466 -3.962 1.00 0.00 C ATOM 609 CD1 PHE A 43 -6.330 -5.517 -3.396 1.00 0.00 C ATOM 610 CD2 PHE A 43 -5.506 -7.754 -3.451 1.00 0.00 C ATOM 611 CE1 PHE A 43 -7.158 -5.845 -2.339 1.00 0.00 C ATOM 612 CE2 PHE A 43 -6.333 -8.088 -2.395 1.00 0.00 C ATOM 613 CZ PHE A 43 -7.161 -7.133 -1.839 1.00 0.00 C ATOM 0 H PHE A 43 -1.933 -5.341 -5.160 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.549 -3.984 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.172 -6.120 -6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.820 -6.867 -5.207 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -6.334 -4.509 -3.785 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -4.861 -8.505 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.802 -5.095 -1.904 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.332 -9.095 -2.005 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.809 -7.392 -1.015 1.00 0.00 H new ATOM 623 N PHE A 44 -4.242 -3.171 -3.132 1.00 0.00 N ATOM 624 CA PHE A 44 -4.181 -2.705 -1.751 1.00 0.00 C ATOM 625 C PHE A 44 -5.559 -2.762 -1.097 1.00 0.00 C ATOM 626 O PHE A 44 -6.572 -2.467 -1.730 1.00 0.00 O ATOM 627 CB PHE A 44 -3.637 -1.276 -1.696 1.00 0.00 C ATOM 628 CG PHE A 44 -4.707 -0.224 -1.752 1.00 0.00 C ATOM 629 CD1 PHE A 44 -5.292 0.250 -0.589 1.00 0.00 C ATOM 630 CD2 PHE A 44 -5.128 0.291 -2.968 1.00 0.00 C ATOM 631 CE1 PHE A 44 -6.278 1.218 -0.638 1.00 0.00 C ATOM 632 CE2 PHE A 44 -6.113 1.259 -3.023 1.00 0.00 C ATOM 633 CZ PHE A 44 -6.688 1.724 -1.856 1.00 0.00 C ATOM 0 H PHE A 44 -4.639 -2.497 -3.787 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.509 -3.364 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.062 -1.150 -0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.948 -1.126 -2.527 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.974 -0.141 0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.681 -0.068 -3.883 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -6.727 1.578 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.433 1.651 -3.977 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.457 2.482 -1.896 1.00 0.00 H new ATOM 643 N HIS A 45 -5.587 -3.144 0.176 1.00 0.00 N ATOM 644 CA HIS A 45 -6.839 -3.240 0.918 1.00 0.00 C ATOM 645 C HIS A 45 -7.095 -1.967 1.719 1.00 0.00 C ATOM 646 O HIS A 45 -6.167 -1.368 2.264 1.00 0.00 O ATOM 647 CB HIS A 45 -6.811 -4.449 1.854 1.00 0.00 C ATOM 648 CG HIS A 45 -8.135 -5.137 1.984 1.00 0.00 C ATOM 649 ND1 HIS A 45 -9.309 -4.465 2.250 1.00 0.00 N ATOM 650 CD2 HIS A 45 -8.466 -6.445 1.880 1.00 0.00 C ATOM 651 CE1 HIS A 45 -10.305 -5.331 2.307 1.00 0.00 C ATOM 652 NE2 HIS A 45 -9.821 -6.539 2.085 1.00 0.00 N ATOM 0 H HIS A 45 -4.757 -3.392 0.715 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.649 -3.365 0.200 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.074 -5.164 1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.480 -4.126 2.841 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.791 -7.262 1.674 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -11.340 -5.091 2.502 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -10.365 -7.402 2.068 1.00 0.00 H new ATOM 661 N CYS A 46 -8.357 -1.559 1.786 1.00 0.00 N ATOM 662 CA CYS A 46 -8.735 -0.357 2.520 1.00 0.00 C ATOM 663 C CYS A 46 -8.229 -0.415 3.957 1.00 0.00 C ATOM 664 O CYS A 46 -8.203 0.596 4.659 1.00 0.00 O ATOM 665 CB CYS A 46 -10.254 -0.182 2.508 1.00 0.00 C ATOM 666 SG CYS A 46 -10.922 0.359 0.917 1.00 0.00 S ATOM 0 H CYS A 46 -9.136 -2.043 1.341 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.275 0.499 2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.720 -1.128 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.531 0.544 3.272 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.214 0.476 1.006 1.00 0.00 H new ATOM 672 N SER A 47 -7.829 -1.607 4.390 1.00 0.00 N ATOM 673 CA SER A 47 -7.330 -1.799 5.747 1.00 0.00 C ATOM 674 C SER A 47 -5.864 -1.386 5.849 1.00 0.00 C ATOM 675 O SER A 47 -5.410 -0.929 6.897 1.00 0.00 O ATOM 676 CB SER A 47 -7.490 -3.260 6.170 1.00 0.00 C ATOM 677 OG SER A 47 -7.025 -3.462 7.493 1.00 0.00 O ATOM 0 H SER A 47 -7.841 -2.454 3.821 1.00 0.00 H new ATOM 0 HA SER A 47 -7.916 -1.169 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.539 -3.549 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.937 -3.903 5.485 1.00 0.00 H new ATOM 0 HG SER A 47 -7.140 -4.403 7.740 1.00 0.00 H new ATOM 683 N GLN A 48 -5.131 -1.552 4.753 1.00 0.00 N ATOM 684 CA GLN A 48 -3.717 -1.198 4.719 1.00 0.00 C ATOM 685 C GLN A 48 -3.527 0.301 4.925 1.00 0.00 C ATOM 686 O GLN A 48 -2.721 0.727 5.753 1.00 0.00 O ATOM 687 CB GLN A 48 -3.094 -1.626 3.389 1.00 0.00 C ATOM 688 CG GLN A 48 -3.396 -3.067 3.011 1.00 0.00 C ATOM 689 CD GLN A 48 -2.811 -4.062 3.994 1.00 0.00 C ATOM 690 OE1 GLN A 48 -1.961 -3.715 4.815 1.00 0.00 O ATOM 691 NE2 GLN A 48 -3.264 -5.308 3.915 1.00 0.00 N ATOM 0 H GLN A 48 -5.493 -1.929 3.877 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.216 -1.724 5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.457 -0.968 2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.014 -1.492 3.444 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.476 -3.206 2.958 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.999 -3.269 2.016 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.969 -5.551 3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -2.907 -6.022 4.550 1.00 0.00 H new ATOM 700 N TYR A 49 -4.272 1.097 4.167 1.00 0.00 N ATOM 701 CA TYR A 49 -4.183 2.549 4.264 1.00 0.00 C ATOM 702 C TYR A 49 -4.341 3.009 5.710 1.00 0.00 C ATOM 703 O TYR A 49 -5.278 2.611 6.401 1.00 0.00 O ATOM 704 CB TYR A 49 -5.252 3.206 3.389 1.00 0.00 C ATOM 705 CG TYR A 49 -5.097 4.705 3.267 1.00 0.00 C ATOM 706 CD1 TYR A 49 -3.883 5.270 2.895 1.00 0.00 C ATOM 707 CD2 TYR A 49 -6.165 5.556 3.522 1.00 0.00 C ATOM 708 CE1 TYR A 49 -3.737 6.639 2.784 1.00 0.00 C ATOM 709 CE2 TYR A 49 -6.029 6.927 3.412 1.00 0.00 C ATOM 710 CZ TYR A 49 -4.813 7.463 3.043 1.00 0.00 C ATOM 711 OH TYR A 49 -4.672 8.828 2.931 1.00 0.00 O ATOM 0 H TYR A 49 -4.945 0.761 3.478 1.00 0.00 H new ATOM 0 HA TYR A 49 -3.197 2.851 3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -5.217 2.763 2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.236 2.983 3.803 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.039 4.628 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.118 5.139 3.811 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.786 7.062 2.496 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -6.870 7.574 3.614 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.523 9.264 3.146 1.00 0.00 H new ATOM 721 N ASN A 50 -3.416 3.850 6.160 1.00 0.00 N ATOM 722 CA ASN A 50 -3.451 4.365 7.524 1.00 0.00 C ATOM 723 C ASN A 50 -4.425 5.534 7.640 1.00 0.00 C ATOM 724 O ASN A 50 -5.166 5.644 8.615 1.00 0.00 O ATOM 725 CB ASN A 50 -2.052 4.808 7.960 1.00 0.00 C ATOM 726 CG ASN A 50 -2.089 5.756 9.143 1.00 0.00 C ATOM 727 OD1 ASN A 50 -1.990 5.333 10.295 1.00 0.00 O ATOM 728 ND2 ASN A 50 -2.231 7.046 8.863 1.00 0.00 N ATOM 0 H ASN A 50 -2.633 4.189 5.601 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.793 3.564 8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.460 3.930 8.220 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.551 5.295 7.123 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.262 7.731 9.618 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -2.309 7.352 7.893 1.00 0.00 H new ATOM 735 N GLY A 51 -4.418 6.405 6.635 1.00 0.00 N ATOM 736 CA GLY A 51 -5.306 7.553 6.642 1.00 0.00 C ATOM 737 C GLY A 51 -6.762 7.161 6.489 1.00 0.00 C ATOM 738 O GLY A 51 -7.202 6.153 7.039 1.00 0.00 O ATOM 0 H GLY A 51 -3.813 6.336 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.177 8.102 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.028 8.228 5.833 1.00 0.00 H new ATOM 742 N ASN A 52 -7.513 7.962 5.740 1.00 0.00 N ATOM 743 CA ASN A 52 -8.929 7.695 5.518 1.00 0.00 C ATOM 744 C ASN A 52 -9.231 7.562 4.028 1.00 0.00 C ATOM 745 O ASN A 52 -9.189 8.544 3.285 1.00 0.00 O ATOM 746 CB ASN A 52 -9.782 8.811 6.125 1.00 0.00 C ATOM 747 CG ASN A 52 -9.149 10.179 5.955 1.00 0.00 C ATOM 748 OD1 ASN A 52 -8.041 10.426 6.433 1.00 0.00 O ATOM 749 ND2 ASN A 52 -9.852 11.075 5.273 1.00 0.00 N ATOM 0 H ASN A 52 -7.164 8.801 5.277 1.00 0.00 H new ATOM 0 HA ASN A 52 -9.176 6.752 6.006 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.766 8.808 5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -9.933 8.613 7.186 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -9.478 12.013 5.127 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -10.766 10.826 4.895 1.00 0.00 H new ATOM 756 N LEU A 53 -9.535 6.343 3.598 1.00 0.00 N ATOM 757 CA LEU A 53 -9.844 6.081 2.197 1.00 0.00 C ATOM 758 C LEU A 53 -10.575 7.264 1.570 1.00 0.00 C ATOM 759 O LEU A 53 -10.277 7.663 0.444 1.00 0.00 O ATOM 760 CB LEU A 53 -10.696 4.816 2.070 1.00 0.00 C ATOM 761 CG LEU A 53 -9.930 3.511 1.851 1.00 0.00 C ATOM 762 CD1 LEU A 53 -9.460 3.402 0.409 1.00 0.00 C ATOM 763 CD2 LEU A 53 -8.749 3.419 2.807 1.00 0.00 C ATOM 0 H LEU A 53 -9.574 5.520 4.199 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.904 5.934 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.297 4.714 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.389 4.951 1.240 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.604 2.679 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.917 2.467 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.322 3.421 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.803 4.240 0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.215 2.484 2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.075 4.258 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.110 3.449 3.835 1.00 0.00 H new ATOM 775 N GLN A 54 -11.530 7.821 2.307 1.00 0.00 N ATOM 776 CA GLN A 54 -12.301 8.960 1.823 1.00 0.00 C ATOM 777 C GLN A 54 -11.396 9.978 1.137 1.00 0.00 C ATOM 778 O GLN A 54 -11.675 10.419 0.022 1.00 0.00 O ATOM 779 CB GLN A 54 -13.051 9.624 2.980 1.00 0.00 C ATOM 780 CG GLN A 54 -14.388 8.972 3.292 1.00 0.00 C ATOM 781 CD GLN A 54 -15.521 9.534 2.457 1.00 0.00 C ATOM 782 OE1 GLN A 54 -16.288 10.379 2.919 1.00 0.00 O ATOM 783 NE2 GLN A 54 -15.632 9.068 1.219 1.00 0.00 N ATOM 0 H GLN A 54 -11.788 7.502 3.241 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.024 8.594 1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.425 9.595 3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.216 10.674 2.740 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.313 7.898 3.120 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.617 9.110 4.349 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.974 8.368 0.877 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.375 9.410 0.610 1.00 0.00 H new ATOM 792 N ASP A 55 -10.313 10.348 1.811 1.00 0.00 N ATOM 793 CA ASP A 55 -9.366 11.314 1.266 1.00 0.00 C ATOM 794 C ASP A 55 -8.652 10.745 0.044 1.00 0.00 C ATOM 795 O ASP A 55 -8.374 11.465 -0.917 1.00 0.00 O ATOM 796 CB ASP A 55 -8.343 11.713 2.330 1.00 0.00 C ATOM 797 CG ASP A 55 -7.388 12.785 1.842 1.00 0.00 C ATOM 798 OD1 ASP A 55 -7.842 13.704 1.129 1.00 0.00 O ATOM 799 OD2 ASP A 55 -6.185 12.703 2.171 1.00 0.00 O ATOM 0 H ASP A 55 -10.069 9.994 2.736 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.923 12.199 0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.866 12.073 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.774 10.833 2.631 1.00 0.00 H new ATOM 804 N LEU A 56 -8.357 9.451 0.087 1.00 0.00 N ATOM 805 CA LEU A 56 -7.674 8.785 -1.017 1.00 0.00 C ATOM 806 C LEU A 56 -8.576 8.700 -2.244 1.00 0.00 C ATOM 807 O LEU A 56 -9.787 8.515 -2.126 1.00 0.00 O ATOM 808 CB LEU A 56 -7.231 7.382 -0.597 1.00 0.00 C ATOM 809 CG LEU A 56 -5.971 6.844 -1.275 1.00 0.00 C ATOM 810 CD1 LEU A 56 -4.782 7.747 -0.985 1.00 0.00 C ATOM 811 CD2 LEU A 56 -5.686 5.421 -0.819 1.00 0.00 C ATOM 0 H LEU A 56 -8.580 8.842 0.874 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.795 9.375 -1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.067 7.382 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.049 6.690 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.138 6.832 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.894 7.348 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.986 8.749 -1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.613 7.792 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.786 5.054 -1.312 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.540 5.407 0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.528 4.780 -1.079 1.00 0.00 H new ATOM 823 N LYS A 57 -7.977 8.834 -3.422 1.00 0.00 N ATOM 824 CA LYS A 57 -8.725 8.769 -4.673 1.00 0.00 C ATOM 825 C LYS A 57 -7.905 8.086 -5.762 1.00 0.00 C ATOM 826 O LYS A 57 -6.708 7.850 -5.596 1.00 0.00 O ATOM 827 CB LYS A 57 -9.124 10.175 -5.126 1.00 0.00 C ATOM 828 CG LYS A 57 -7.942 11.108 -5.327 1.00 0.00 C ATOM 829 CD LYS A 57 -7.431 11.061 -6.757 1.00 0.00 C ATOM 830 CE LYS A 57 -8.130 12.091 -7.632 1.00 0.00 C ATOM 831 NZ LYS A 57 -7.426 12.285 -8.930 1.00 0.00 N ATOM 0 H LYS A 57 -6.975 8.988 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.626 8.181 -4.499 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.681 10.102 -6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.797 10.609 -4.386 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.236 12.128 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.139 10.832 -4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.356 11.243 -6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.590 10.064 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.156 11.773 -7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.183 13.042 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.978 12.930 -9.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.485 12.693 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.323 11.368 -9.409 1.00 0.00 H new ATOM 845 N VAL A 58 -8.556 7.772 -6.878 1.00 0.00 N ATOM 846 CA VAL A 58 -7.886 7.118 -7.996 1.00 0.00 C ATOM 847 C VAL A 58 -7.113 8.126 -8.838 1.00 0.00 C ATOM 848 O VAL A 58 -7.698 9.018 -9.451 1.00 0.00 O ATOM 849 CB VAL A 58 -8.892 6.376 -8.896 1.00 0.00 C ATOM 850 CG1 VAL A 58 -8.205 5.861 -10.152 1.00 0.00 C ATOM 851 CG2 VAL A 58 -9.550 5.237 -8.134 1.00 0.00 C ATOM 0 H VAL A 58 -9.547 7.960 -7.032 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.190 6.395 -7.570 1.00 0.00 H new ATOM 0 HB VAL A 58 -9.670 7.078 -9.197 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.931 5.339 -10.776 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.786 6.700 -10.707 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.406 5.174 -9.874 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.258 4.724 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.787 4.533 -7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.078 5.636 -7.268 1.00 0.00 H new ATOM 861 N GLY A 59 -5.792 7.977 -8.865 1.00 0.00 N ATOM 862 CA GLY A 59 -4.959 8.881 -9.636 1.00 0.00 C ATOM 863 C GLY A 59 -4.032 9.704 -8.762 1.00 0.00 C ATOM 864 O GLY A 59 -3.478 10.709 -9.207 1.00 0.00 O ATOM 0 H GLY A 59 -5.284 7.246 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.367 8.306 -10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.595 9.550 -10.217 1.00 0.00 H new ATOM 868 N ASP A 60 -3.865 9.277 -7.515 1.00 0.00 N ATOM 869 CA ASP A 60 -3.000 9.981 -6.576 1.00 0.00 C ATOM 870 C ASP A 60 -1.830 9.100 -6.149 1.00 0.00 C ATOM 871 O ASP A 60 -1.972 7.884 -6.017 1.00 0.00 O ATOM 872 CB ASP A 60 -3.797 10.423 -5.348 1.00 0.00 C ATOM 873 CG ASP A 60 -4.438 11.785 -5.532 1.00 0.00 C ATOM 874 OD1 ASP A 60 -4.008 12.524 -6.442 1.00 0.00 O ATOM 875 OD2 ASP A 60 -5.369 12.111 -4.767 1.00 0.00 O ATOM 0 H ASP A 60 -4.317 8.447 -7.131 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.603 10.863 -7.078 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.572 9.686 -5.137 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.137 10.450 -4.481 1.00 0.00 H new ATOM 880 N ASP A 61 -0.676 9.721 -5.934 1.00 0.00 N ATOM 881 CA ASP A 61 0.519 8.993 -5.522 1.00 0.00 C ATOM 882 C ASP A 61 0.405 8.539 -4.070 1.00 0.00 C ATOM 883 O ASP A 61 -0.114 9.264 -3.221 1.00 0.00 O ATOM 884 CB ASP A 61 1.762 9.867 -5.699 1.00 0.00 C ATOM 885 CG ASP A 61 2.286 9.845 -7.122 1.00 0.00 C ATOM 886 OD1 ASP A 61 1.488 10.083 -8.052 1.00 0.00 O ATOM 887 OD2 ASP A 61 3.495 9.589 -7.305 1.00 0.00 O ATOM 0 H ASP A 61 -0.542 10.727 -6.038 1.00 0.00 H new ATOM 0 HA ASP A 61 0.612 8.110 -6.154 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.524 10.893 -5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.544 9.524 -5.021 1.00 0.00 H new ATOM 892 N VAL A 62 0.891 7.334 -3.792 1.00 0.00 N ATOM 893 CA VAL A 62 0.843 6.783 -2.443 1.00 0.00 C ATOM 894 C VAL A 62 1.987 5.801 -2.209 1.00 0.00 C ATOM 895 O VAL A 62 2.408 5.096 -3.125 1.00 0.00 O ATOM 896 CB VAL A 62 -0.495 6.068 -2.175 1.00 0.00 C ATOM 897 CG1 VAL A 62 -1.554 7.065 -1.734 1.00 0.00 C ATOM 898 CG2 VAL A 62 -0.949 5.308 -3.412 1.00 0.00 C ATOM 0 H VAL A 62 1.323 6.720 -4.483 1.00 0.00 H new ATOM 0 HA VAL A 62 0.942 7.623 -1.755 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.348 5.350 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.492 6.542 -1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.229 7.560 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.702 7.809 -2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.896 4.809 -3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.080 6.005 -4.240 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.198 4.565 -3.679 1.00 0.00 H new ATOM 908 N GLU A 63 2.484 5.763 -0.977 1.00 0.00 N ATOM 909 CA GLU A 63 3.579 4.868 -0.624 1.00 0.00 C ATOM 910 C GLU A 63 3.064 3.653 0.143 1.00 0.00 C ATOM 911 O GLU A 63 2.229 3.779 1.039 1.00 0.00 O ATOM 912 CB GLU A 63 4.622 5.609 0.215 1.00 0.00 C ATOM 913 CG GLU A 63 5.958 4.889 0.301 1.00 0.00 C ATOM 914 CD GLU A 63 6.713 5.211 1.576 1.00 0.00 C ATOM 915 OE1 GLU A 63 6.215 4.861 2.666 1.00 0.00 O ATOM 916 OE2 GLU A 63 7.804 5.812 1.482 1.00 0.00 O ATOM 0 H GLU A 63 2.146 6.341 -0.207 1.00 0.00 H new ATOM 0 HA GLU A 63 4.044 4.523 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.780 6.600 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.231 5.752 1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.791 3.813 0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.570 5.163 -0.558 1.00 0.00 H new ATOM 923 N PHE A 64 3.567 2.477 -0.217 1.00 0.00 N ATOM 924 CA PHE A 64 3.157 1.238 0.435 1.00 0.00 C ATOM 925 C PHE A 64 4.319 0.252 0.509 1.00 0.00 C ATOM 926 O PHE A 64 5.407 0.520 0.001 1.00 0.00 O ATOM 927 CB PHE A 64 1.983 0.606 -0.316 1.00 0.00 C ATOM 928 CG PHE A 64 2.124 0.669 -1.810 1.00 0.00 C ATOM 929 CD1 PHE A 64 1.787 1.820 -2.503 1.00 0.00 C ATOM 930 CD2 PHE A 64 2.593 -0.424 -2.521 1.00 0.00 C ATOM 931 CE1 PHE A 64 1.916 1.881 -3.878 1.00 0.00 C ATOM 932 CE2 PHE A 64 2.725 -0.369 -3.896 1.00 0.00 C ATOM 933 CZ PHE A 64 2.384 0.785 -4.575 1.00 0.00 C ATOM 0 H PHE A 64 4.259 2.355 -0.956 1.00 0.00 H new ATOM 0 HA PHE A 64 2.842 1.478 1.451 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.886 -0.436 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.062 1.110 -0.024 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.419 2.680 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.858 -1.329 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.651 2.785 -4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.094 -1.227 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.483 0.830 -5.649 1.00 0.00 H new ATOM 943 N GLU A 65 4.078 -0.890 1.146 1.00 0.00 N ATOM 944 CA GLU A 65 5.105 -1.915 1.288 1.00 0.00 C ATOM 945 C GLU A 65 4.645 -3.234 0.673 1.00 0.00 C ATOM 946 O GLU A 65 3.687 -3.849 1.141 1.00 0.00 O ATOM 947 CB GLU A 65 5.451 -2.121 2.764 1.00 0.00 C ATOM 948 CG GLU A 65 5.925 -3.528 3.088 1.00 0.00 C ATOM 949 CD GLU A 65 6.679 -3.602 4.401 1.00 0.00 C ATOM 950 OE1 GLU A 65 7.201 -2.557 4.845 1.00 0.00 O ATOM 951 OE2 GLU A 65 6.749 -4.704 4.985 1.00 0.00 O ATOM 0 H GLU A 65 3.182 -1.128 1.571 1.00 0.00 H new ATOM 0 HA GLU A 65 5.995 -1.577 0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.227 -1.411 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.573 -1.894 3.369 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.065 -4.197 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.568 -3.885 2.284 1.00 0.00 H new ATOM 958 N VAL A 66 5.335 -3.662 -0.379 1.00 0.00 N ATOM 959 CA VAL A 66 4.999 -4.908 -1.058 1.00 0.00 C ATOM 960 C VAL A 66 5.327 -6.115 -0.186 1.00 0.00 C ATOM 961 O VAL A 66 6.476 -6.318 0.204 1.00 0.00 O ATOM 962 CB VAL A 66 5.750 -5.037 -2.397 1.00 0.00 C ATOM 963 CG1 VAL A 66 5.616 -6.448 -2.950 1.00 0.00 C ATOM 964 CG2 VAL A 66 5.235 -4.013 -3.397 1.00 0.00 C ATOM 0 H VAL A 66 6.130 -3.164 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 66 3.927 -4.884 -1.252 1.00 0.00 H new ATOM 0 HB VAL A 66 6.808 -4.840 -2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.153 -6.521 -3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.037 -7.159 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.563 -6.677 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.776 -4.118 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.171 -4.177 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.388 -3.009 -3.001 1.00 0.00 H new ATOM 974 N SER A 67 4.308 -6.914 0.115 1.00 0.00 N ATOM 975 CA SER A 67 4.486 -8.100 0.944 1.00 0.00 C ATOM 976 C SER A 67 3.891 -9.331 0.266 1.00 0.00 C ATOM 977 O SER A 67 3.328 -9.241 -0.824 1.00 0.00 O ATOM 978 CB SER A 67 3.836 -7.894 2.314 1.00 0.00 C ATOM 979 OG SER A 67 4.476 -8.678 3.305 1.00 0.00 O ATOM 0 H SER A 67 3.351 -6.761 -0.203 1.00 0.00 H new ATOM 0 HA SER A 67 5.556 -8.262 1.078 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.888 -6.841 2.590 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.780 -8.159 2.262 1.00 0.00 H new ATOM 0 HG SER A 67 4.043 -8.527 4.171 1.00 0.00 H new ATOM 985 N SER A 68 4.021 -10.480 0.921 1.00 0.00 N ATOM 986 CA SER A 68 3.500 -11.731 0.382 1.00 0.00 C ATOM 987 C SER A 68 2.301 -12.214 1.192 1.00 0.00 C ATOM 988 O SER A 68 2.377 -12.352 2.413 1.00 0.00 O ATOM 989 CB SER A 68 4.591 -12.803 0.377 1.00 0.00 C ATOM 990 OG SER A 68 5.499 -12.611 1.448 1.00 0.00 O ATOM 0 H SER A 68 4.483 -10.571 1.826 1.00 0.00 H new ATOM 0 HA SER A 68 3.175 -11.549 -0.642 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.136 -13.790 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.130 -12.774 -0.570 1.00 0.00 H new ATOM 0 HG SER A 68 6.186 -13.310 1.424 1.00 0.00 H new ATOM 996 N ASP A 69 1.194 -12.470 0.503 1.00 0.00 N ATOM 997 CA ASP A 69 -0.023 -12.939 1.156 1.00 0.00 C ATOM 998 C ASP A 69 0.220 -14.266 1.867 1.00 0.00 C ATOM 999 O ASP A 69 1.210 -14.950 1.606 1.00 0.00 O ATOM 1000 CB ASP A 69 -1.150 -13.092 0.134 1.00 0.00 C ATOM 1001 CG ASP A 69 -2.522 -13.079 0.778 1.00 0.00 C ATOM 1002 OD1 ASP A 69 -2.884 -12.048 1.384 1.00 0.00 O ATOM 1003 OD2 ASP A 69 -3.234 -14.100 0.677 1.00 0.00 O ATOM 0 H ASP A 69 1.114 -12.361 -0.508 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.316 -12.197 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.087 -12.285 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.017 -14.026 -0.412 1.00 0.00 H new ATOM 1008 N ARG A 70 -0.690 -14.624 2.767 1.00 0.00 N ATOM 1009 CA ARG A 70 -0.573 -15.869 3.518 1.00 0.00 C ATOM 1010 C ARG A 70 -1.454 -16.956 2.908 1.00 0.00 C ATOM 1011 O ARG A 70 -1.504 -18.080 3.406 1.00 0.00 O ATOM 1012 CB ARG A 70 -0.961 -15.645 4.981 1.00 0.00 C ATOM 1013 CG ARG A 70 -0.368 -14.381 5.581 1.00 0.00 C ATOM 1014 CD ARG A 70 1.139 -14.496 5.749 1.00 0.00 C ATOM 1015 NE ARG A 70 1.844 -14.346 4.479 1.00 0.00 N ATOM 1016 CZ ARG A 70 3.068 -14.811 4.259 1.00 0.00 C ATOM 1017 NH1 ARG A 70 3.720 -15.452 5.219 1.00 0.00 N ATOM 1018 NH2 ARG A 70 3.644 -14.635 3.076 1.00 0.00 N ATOM 0 H ARG A 70 -1.516 -14.070 2.994 1.00 0.00 H new ATOM 0 HA ARG A 70 0.465 -16.197 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.047 -15.598 5.057 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.637 -16.503 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.600 -13.530 4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -0.829 -14.186 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.485 -13.734 6.448 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.382 -15.464 6.187 1.00 0.00 H new ATOM 0 HE ARG A 70 1.370 -13.857 3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.281 -15.589 6.130 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.660 -15.808 5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.146 -14.142 2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.584 -14.993 2.908 1.00 0.00 H new ATOM 1032 N ARG A 71 -2.146 -16.612 1.827 1.00 0.00 N ATOM 1033 CA ARG A 71 -3.026 -17.557 1.150 1.00 0.00 C ATOM 1034 C ARG A 71 -2.535 -17.838 -0.267 1.00 0.00 C ATOM 1035 O ARG A 71 -2.264 -18.985 -0.626 1.00 0.00 O ATOM 1036 CB ARG A 71 -4.456 -17.015 1.108 1.00 0.00 C ATOM 1037 CG ARG A 71 -5.015 -16.662 2.476 1.00 0.00 C ATOM 1038 CD ARG A 71 -5.523 -17.895 3.206 1.00 0.00 C ATOM 1039 NE ARG A 71 -6.627 -17.581 4.109 1.00 0.00 N ATOM 1040 CZ ARG A 71 -6.485 -16.874 5.225 1.00 0.00 C ATOM 1041 NH1 ARG A 71 -5.293 -16.411 5.573 1.00 0.00 N ATOM 1042 NH2 ARG A 71 -7.538 -16.630 5.995 1.00 0.00 N ATOM 0 H ARG A 71 -2.114 -15.686 1.401 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.015 -18.491 1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.481 -16.128 0.475 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.103 -17.758 0.641 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -4.242 -16.178 3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.827 -15.944 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.850 -18.638 2.478 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.707 -18.342 3.773 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.558 -17.923 3.870 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.482 -16.597 4.984 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.187 -15.869 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.457 -16.985 5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.429 -16.087 6.852 1.00 0.00 H new ATOM 1056 N THR A 72 -2.423 -16.784 -1.069 1.00 0.00 N ATOM 1057 CA THR A 72 -1.967 -16.917 -2.447 1.00 0.00 C ATOM 1058 C THR A 72 -0.489 -16.563 -2.573 1.00 0.00 C ATOM 1059 O THR A 72 0.121 -16.768 -3.622 1.00 0.00 O ATOM 1060 CB THR A 72 -2.781 -16.020 -3.398 1.00 0.00 C ATOM 1061 OG1 THR A 72 -2.488 -14.642 -3.141 1.00 0.00 O ATOM 1062 CG2 THR A 72 -4.273 -16.266 -3.230 1.00 0.00 C ATOM 0 H THR A 72 -2.642 -15.828 -0.788 1.00 0.00 H new ATOM 0 HA THR A 72 -2.114 -17.960 -2.729 1.00 0.00 H new ATOM 0 HB THR A 72 -2.502 -16.266 -4.422 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.208 -14.082 -3.500 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.827 -15.621 -3.912 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.497 -17.309 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.565 -16.044 -2.203 1.00 0.00 H new ATOM 1070 N GLY A 73 0.082 -16.031 -1.496 1.00 0.00 N ATOM 1071 CA GLY A 73 1.484 -15.658 -1.508 1.00 0.00 C ATOM 1072 C GLY A 73 1.803 -14.637 -2.582 1.00 0.00 C ATOM 1073 O GLY A 73 2.967 -14.428 -2.925 1.00 0.00 O ATOM 0 H GLY A 73 -0.402 -15.852 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.757 -15.253 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.092 -16.549 -1.665 1.00 0.00 H new ATOM 1077 N LYS A 74 0.767 -13.999 -3.116 1.00 0.00 N ATOM 1078 CA LYS A 74 0.941 -12.994 -4.158 1.00 0.00 C ATOM 1079 C LYS A 74 1.396 -11.665 -3.562 1.00 0.00 C ATOM 1080 O LYS A 74 1.108 -11.344 -2.408 1.00 0.00 O ATOM 1081 CB LYS A 74 -0.365 -12.798 -4.930 1.00 0.00 C ATOM 1082 CG LYS A 74 -0.994 -14.098 -5.401 1.00 0.00 C ATOM 1083 CD LYS A 74 -0.398 -14.561 -6.719 1.00 0.00 C ATOM 1084 CE LYS A 74 -1.226 -15.671 -7.347 1.00 0.00 C ATOM 1085 NZ LYS A 74 -2.419 -15.138 -8.060 1.00 0.00 N ATOM 0 H LYS A 74 -0.203 -14.160 -2.844 1.00 0.00 H new ATOM 0 HA LYS A 74 1.711 -13.348 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.076 -12.269 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.174 -12.162 -5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.848 -14.869 -4.644 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.070 -13.962 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.336 -13.718 -7.407 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.620 -14.914 -6.555 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.607 -16.235 -8.045 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.547 -16.367 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.957 -15.926 -8.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.023 -14.622 -7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.112 -14.493 -8.816 1.00 0.00 H new ATOM 1099 N PRO A 75 2.121 -10.872 -4.365 1.00 0.00 N ATOM 1100 CA PRO A 75 2.628 -9.565 -3.938 1.00 0.00 C ATOM 1101 C PRO A 75 1.513 -8.538 -3.768 1.00 0.00 C ATOM 1102 O PRO A 75 1.010 -7.987 -4.747 1.00 0.00 O ATOM 1103 CB PRO A 75 3.561 -9.157 -5.081 1.00 0.00 C ATOM 1104 CG PRO A 75 3.047 -9.890 -6.271 1.00 0.00 C ATOM 1105 CD PRO A 75 2.501 -11.191 -5.751 1.00 0.00 C ATOM 0 HA PRO A 75 3.118 -9.615 -2.966 1.00 0.00 H new ATOM 0 HB2 PRO A 75 3.542 -8.079 -5.242 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.594 -9.429 -4.865 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.271 -9.316 -6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 75 3.842 -10.062 -6.997 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.645 -11.529 -6.335 1.00 0.00 H new ATOM 0 HD3 PRO A 75 3.247 -11.984 -5.791 1.00 0.00 H new ATOM 1113 N ILE A 76 1.133 -8.286 -2.520 1.00 0.00 N ATOM 1114 CA ILE A 76 0.079 -7.324 -2.223 1.00 0.00 C ATOM 1115 C ILE A 76 0.633 -6.113 -1.480 1.00 0.00 C ATOM 1116 O ILE A 76 1.723 -6.168 -0.910 1.00 0.00 O ATOM 1117 CB ILE A 76 -1.042 -7.960 -1.380 1.00 0.00 C ATOM 1118 CG1 ILE A 76 -0.476 -8.508 -0.068 1.00 0.00 C ATOM 1119 CG2 ILE A 76 -1.734 -9.064 -2.166 1.00 0.00 C ATOM 1120 CD1 ILE A 76 -1.484 -8.537 1.059 1.00 0.00 C ATOM 0 H ILE A 76 1.539 -8.734 -1.699 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.334 -7.003 -3.179 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.778 -7.192 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.102 -9.518 -0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.376 -7.899 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.524 -9.504 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.167 -8.647 -3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.008 -9.833 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.014 -8.937 1.957 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.840 -7.526 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.326 -9.170 0.778 1.00 0.00 H new ATOM 1132 N ALA A 77 -0.125 -5.022 -1.489 1.00 0.00 N ATOM 1133 CA ALA A 77 0.288 -3.799 -0.813 1.00 0.00 C ATOM 1134 C ALA A 77 -0.228 -3.763 0.621 1.00 0.00 C ATOM 1135 O ALA A 77 -1.336 -4.218 0.905 1.00 0.00 O ATOM 1136 CB ALA A 77 -0.200 -2.580 -1.582 1.00 0.00 C ATOM 0 H ALA A 77 -1.029 -4.960 -1.957 1.00 0.00 H new ATOM 0 HA ALA A 77 1.377 -3.782 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.116 -1.674 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.222 -2.591 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.288 -2.601 -1.645 1.00 0.00 H new ATOM 1142 N VAL A 78 0.583 -3.220 1.524 1.00 0.00 N ATOM 1143 CA VAL A 78 0.208 -3.125 2.930 1.00 0.00 C ATOM 1144 C VAL A 78 0.724 -1.831 3.550 1.00 0.00 C ATOM 1145 O VAL A 78 1.609 -1.175 3.000 1.00 0.00 O ATOM 1146 CB VAL A 78 0.749 -4.319 3.737 1.00 0.00 C ATOM 1147 CG1 VAL A 78 0.097 -5.614 3.276 1.00 0.00 C ATOM 1148 CG2 VAL A 78 2.263 -4.402 3.616 1.00 0.00 C ATOM 0 H VAL A 78 1.504 -2.839 1.307 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.881 -3.134 2.968 1.00 0.00 H new ATOM 0 HB VAL A 78 0.500 -4.168 4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.492 -6.447 3.858 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.982 -5.550 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.313 -5.774 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.628 -5.252 4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.538 -4.529 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.709 -3.485 3.999 1.00 0.00 H new ATOM 1158 N LYS A 79 0.165 -1.468 4.699 1.00 0.00 N ATOM 1159 CA LYS A 79 0.569 -0.254 5.397 1.00 0.00 C ATOM 1160 C LYS A 79 0.677 0.920 4.429 1.00 0.00 C ATOM 1161 O LYS A 79 1.676 1.640 4.420 1.00 0.00 O ATOM 1162 CB LYS A 79 1.908 -0.469 6.106 1.00 0.00 C ATOM 1163 CG LYS A 79 1.939 -1.710 6.982 1.00 0.00 C ATOM 1164 CD LYS A 79 1.062 -1.547 8.211 1.00 0.00 C ATOM 1165 CE LYS A 79 0.517 -2.885 8.688 1.00 0.00 C ATOM 1166 NZ LYS A 79 -0.302 -2.742 9.924 1.00 0.00 N ATOM 0 H LYS A 79 -0.570 -1.998 5.167 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.194 -0.021 6.139 1.00 0.00 H new ATOM 0 HB2 LYS A 79 2.698 -0.542 5.359 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.129 0.404 6.719 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.603 -2.572 6.406 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.965 -1.913 7.290 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.638 -1.081 9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.234 -0.876 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.090 -3.332 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.345 -3.567 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.655 -3.676 10.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.283 -2.339 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.107 -2.111 9.736 1.00 0.00 H new ATOM 1180 N LEU A 80 -0.357 1.108 3.616 1.00 0.00 N ATOM 1181 CA LEU A 80 -0.378 2.196 2.644 1.00 0.00 C ATOM 1182 C LEU A 80 -0.335 3.551 3.343 1.00 0.00 C ATOM 1183 O LEU A 80 -0.795 3.692 4.476 1.00 0.00 O ATOM 1184 CB LEU A 80 -1.629 2.100 1.770 1.00 0.00 C ATOM 1185 CG LEU A 80 -1.417 2.305 0.269 1.00 0.00 C ATOM 1186 CD1 LEU A 80 -1.274 0.967 -0.438 1.00 0.00 C ATOM 1187 CD2 LEU A 80 -2.565 3.106 -0.327 1.00 0.00 C ATOM 0 H LEU A 80 -1.191 0.521 3.611 1.00 0.00 H new ATOM 0 HA LEU A 80 0.506 2.105 2.014 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.080 1.119 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.349 2.840 2.119 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.495 2.868 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.124 1.133 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.418 0.430 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.178 0.377 -0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.397 3.242 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.502 2.570 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.620 4.080 0.159 1.00 0.00 H new ATOM 1199 N VAL A 81 0.219 4.547 2.658 1.00 0.00 N ATOM 1200 CA VAL A 81 0.319 5.892 3.212 1.00 0.00 C ATOM 1201 C VAL A 81 0.514 6.926 2.109 1.00 0.00 C ATOM 1202 O VAL A 81 1.450 6.835 1.314 1.00 0.00 O ATOM 1203 CB VAL A 81 1.483 6.001 4.215 1.00 0.00 C ATOM 1204 CG1 VAL A 81 2.818 5.840 3.503 1.00 0.00 C ATOM 1205 CG2 VAL A 81 1.422 7.327 4.958 1.00 0.00 C ATOM 0 H VAL A 81 0.605 4.448 1.719 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.618 6.091 3.732 1.00 0.00 H new ATOM 0 HB VAL A 81 1.389 5.197 4.945 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.629 5.920 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.858 4.863 3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.926 6.621 2.750 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.251 7.388 5.663 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.492 8.148 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.479 7.397 5.501 1.00 0.00 H new ATOM 1215 N LYS A 82 -0.376 7.912 2.066 1.00 0.00 N ATOM 1216 CA LYS A 82 -0.302 8.967 1.062 1.00 0.00 C ATOM 1217 C LYS A 82 1.016 9.727 1.167 1.00 0.00 C ATOM 1218 O LYS A 82 1.400 10.174 2.248 1.00 0.00 O ATOM 1219 CB LYS A 82 -1.476 9.935 1.222 1.00 0.00 C ATOM 1220 CG LYS A 82 -1.918 10.577 -0.081 1.00 0.00 C ATOM 1221 CD LYS A 82 -3.405 10.891 -0.073 1.00 0.00 C ATOM 1222 CE LYS A 82 -3.780 11.841 -1.199 1.00 0.00 C ATOM 1223 NZ LYS A 82 -5.211 11.702 -1.588 1.00 0.00 N ATOM 0 H LYS A 82 -1.157 8.002 2.715 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.355 8.502 0.078 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.320 9.400 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -1.196 10.718 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.353 11.494 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.691 9.909 -0.912 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -3.974 9.966 -0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -3.679 11.334 0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.586 12.868 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.148 11.646 -2.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -5.472 12.474 -2.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.354 10.789 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.808 11.745 -0.737 1.00 0.00 H new ATOM 1237 N ILE A 83 1.703 9.871 0.039 1.00 0.00 N ATOM 1238 CA ILE A 83 2.976 10.580 0.005 1.00 0.00 C ATOM 1239 C ILE A 83 2.788 12.061 0.313 1.00 0.00 C ATOM 1240 O ILE A 83 3.307 12.569 1.308 1.00 0.00 O ATOM 1241 CB ILE A 83 3.665 10.435 -1.365 1.00 0.00 C ATOM 1242 CG1 ILE A 83 3.533 8.999 -1.877 1.00 0.00 C ATOM 1243 CG2 ILE A 83 5.129 10.835 -1.266 1.00 0.00 C ATOM 1244 CD1 ILE A 83 4.593 8.618 -2.887 1.00 0.00 C ATOM 0 H ILE A 83 1.399 9.506 -0.864 1.00 0.00 H new ATOM 0 HA ILE A 83 3.609 10.130 0.770 1.00 0.00 H new ATOM 0 HB ILE A 83 3.174 11.101 -2.075 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.586 8.314 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.549 8.872 -2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.602 10.727 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.201 11.873 -0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.634 10.192 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.438 7.587 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.527 9.279 -3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.579 8.712 -2.433 1.00 0.00 H new