USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 549 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 23 ASN : amide:sc= -0.319! C(o=-0.18!,f=-2.8!) USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0.143 USER MOD Single : A 18 THR OG1 : rot -122:sc= 0.0309 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot -150:sc= -3.04! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 27:sc= 0.513 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -109:sc= -1.04! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 84:sc= -1.33! USER MOD Single : A 68 LYS NZ :NH3+ 157:sc= 0.808 (180deg=0.26) USER MOD Single : A 69 ASN : amide:sc= -4.93 K(o=-4.9,f=-3!) USER MOD Single : A 73 LYS NZ :NH3+ -151:sc= -1.43 (180deg=-2.81!) USER MOD Single : A 74 GLN : amide:sc= -3.5! C(o=-3.5!,f=-15!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 5:sc= -4.42! USER MOD Single : A 88 THR OG1 : rot -44:sc= 0.351 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 78.908 8.803 4.361 1.00 0.00 N ATOM 229 CA ALA A 15 77.876 8.114 3.539 1.00 0.00 C ATOM 230 C ALA A 15 78.507 7.545 2.266 1.00 0.00 C ATOM 231 O ALA A 15 77.877 6.823 1.519 1.00 0.00 O ATOM 232 CB ALA A 15 76.853 9.196 3.194 1.00 0.00 C ATOM 0 HA ALA A 15 77.419 7.278 4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.057 8.764 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.429 9.602 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.342 9.995 2.636 1.00 0.00 H new ATOM 238 N ALA A 16 79.747 7.867 2.011 1.00 0.00 N ATOM 239 CA ALA A 16 80.416 7.346 0.784 1.00 0.00 C ATOM 240 C ALA A 16 80.781 5.871 0.965 1.00 0.00 C ATOM 241 O ALA A 16 80.747 5.093 0.033 1.00 0.00 O ATOM 242 CB ALA A 16 81.677 8.196 0.629 1.00 0.00 C ATOM 0 H ALA A 16 80.325 8.468 2.599 1.00 0.00 H new ATOM 0 HA ALA A 16 79.773 7.407 -0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.227 7.873 -0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.398 9.244 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.306 8.077 1.511 1.00 0.00 H new ATOM 248 N ARG A 17 81.127 5.480 2.158 1.00 0.00 N ATOM 249 CA ARG A 17 81.491 4.055 2.398 1.00 0.00 C ATOM 250 C ARG A 17 80.228 3.212 2.587 1.00 0.00 C ATOM 251 O ARG A 17 80.290 2.061 2.971 1.00 0.00 O ATOM 252 CB ARG A 17 82.325 4.067 3.679 1.00 0.00 C ATOM 253 CG ARG A 17 81.488 4.626 4.830 1.00 0.00 C ATOM 254 CD ARG A 17 82.188 5.849 5.425 1.00 0.00 C ATOM 255 NE ARG A 17 83.418 5.310 6.070 1.00 0.00 N ATOM 256 CZ ARG A 17 84.508 6.027 6.099 1.00 0.00 C ATOM 257 NH1 ARG A 17 84.454 7.310 5.866 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.654 5.460 6.358 1.00 0.00 N ATOM 0 H ARG A 17 81.174 6.085 2.978 1.00 0.00 H new ATOM 0 HA ARG A 17 82.039 3.623 1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.660 3.057 3.916 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.219 4.674 3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.496 4.900 4.472 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.351 3.864 5.597 1.00 0.00 H new ATOM 0 HD2 ARG A 17 82.434 6.578 4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 17 81.551 6.355 6.150 1.00 0.00 H new ATOM 0 HE ARG A 17 83.408 4.380 6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 17 83.559 7.754 5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.307 7.869 5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 17 85.698 4.457 6.538 1.00 0.00 H new ATOM 0 HH22 ARG A 17 86.506 6.020 6.381 1.00 0.00 H new ATOM 272 N THR A 18 79.081 3.776 2.320 1.00 0.00 N ATOM 273 CA THR A 18 77.817 3.005 2.485 1.00 0.00 C ATOM 274 C THR A 18 76.878 3.264 1.303 1.00 0.00 C ATOM 275 O THR A 18 76.952 4.286 0.649 1.00 0.00 O ATOM 276 CB THR A 18 77.202 3.530 3.785 1.00 0.00 C ATOM 277 OG1 THR A 18 77.936 3.022 4.891 1.00 0.00 O ATOM 278 CG2 THR A 18 75.746 3.076 3.884 1.00 0.00 C ATOM 0 H THR A 18 78.965 4.736 1.995 1.00 0.00 H new ATOM 0 HA THR A 18 77.991 1.929 2.520 1.00 0.00 H new ATOM 0 HB THR A 18 77.240 4.619 3.792 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.333 2.528 5.485 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.310 3.451 4.810 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.185 3.466 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 18 75.703 1.987 3.878 1.00 0.00 H new ATOM 286 N LEU A 19 75.994 2.344 1.028 1.00 0.00 N ATOM 287 CA LEU A 19 75.044 2.529 -0.108 1.00 0.00 C ATOM 288 C LEU A 19 73.727 1.813 0.189 1.00 0.00 C ATOM 289 O LEU A 19 73.632 1.023 1.107 1.00 0.00 O ATOM 290 CB LEU A 19 75.728 1.906 -1.329 1.00 0.00 C ATOM 291 CG LEU A 19 76.418 0.598 -0.938 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.822 -0.554 -1.748 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.915 0.706 -1.234 1.00 0.00 C ATOM 0 H LEU A 19 75.888 1.469 1.542 1.00 0.00 H new ATOM 0 HA LEU A 19 74.811 3.581 -0.275 1.00 0.00 H new ATOM 0 HB2 LEU A 19 74.992 1.718 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.459 2.602 -1.740 1.00 0.00 H new ATOM 0 HG LEU A 19 76.268 0.411 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.313 -1.487 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.755 -0.630 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.973 -0.367 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.409 -0.225 -0.956 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.063 0.892 -2.298 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.341 1.528 -0.659 1.00 0.00 H new ATOM 305 N LEU A 20 72.709 2.087 -0.577 1.00 0.00 N ATOM 306 CA LEU A 20 71.395 1.423 -0.330 1.00 0.00 C ATOM 307 C LEU A 20 71.094 0.392 -1.423 1.00 0.00 C ATOM 308 O LEU A 20 70.977 0.722 -2.585 1.00 0.00 O ATOM 309 CB LEU A 20 70.367 2.554 -0.372 1.00 0.00 C ATOM 310 CG LEU A 20 69.055 2.075 0.252 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.131 2.219 1.774 1.00 0.00 C ATOM 312 CD2 LEU A 20 67.899 2.922 -0.284 1.00 0.00 C ATOM 0 H LEU A 20 72.727 2.739 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 20 71.383 0.887 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.744 3.422 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.199 2.869 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 20 68.890 1.029 -0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.196 1.878 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 20 69.956 1.617 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.295 3.265 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 20 66.963 2.582 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.064 3.968 -0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 20 67.845 2.820 -1.368 1.00 0.00 H new ATOM 324 N ALA A 21 70.955 -0.854 -1.061 1.00 0.00 N ATOM 325 CA ALA A 21 70.647 -1.891 -2.085 1.00 0.00 C ATOM 326 C ALA A 21 69.172 -1.793 -2.483 1.00 0.00 C ATOM 327 O ALA A 21 68.317 -1.544 -1.657 1.00 0.00 O ATOM 328 CB ALA A 21 70.935 -3.227 -1.401 1.00 0.00 C ATOM 0 H ALA A 21 71.041 -1.197 -0.104 1.00 0.00 H new ATOM 0 HA ALA A 21 71.237 -1.773 -2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.731 -4.042 -2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.981 -3.262 -1.097 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.299 -3.330 -0.522 1.00 0.00 H new ATOM 334 N LYS A 22 68.863 -1.979 -3.736 1.00 0.00 N ATOM 335 CA LYS A 22 67.439 -1.883 -4.165 1.00 0.00 C ATOM 336 C LYS A 22 67.092 -3.017 -5.132 1.00 0.00 C ATOM 337 O LYS A 22 67.944 -3.777 -5.547 1.00 0.00 O ATOM 338 CB LYS A 22 67.327 -0.529 -4.866 1.00 0.00 C ATOM 339 CG LYS A 22 66.819 0.519 -3.874 1.00 0.00 C ATOM 340 CD LYS A 22 65.492 1.094 -4.372 1.00 0.00 C ATOM 341 CE LYS A 22 65.545 2.623 -4.315 1.00 0.00 C ATOM 342 NZ LYS A 22 64.128 3.051 -4.150 1.00 0.00 N ATOM 0 H LYS A 22 69.530 -2.192 -4.478 1.00 0.00 H new ATOM 0 HA LYS A 22 66.752 -1.967 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.298 -0.231 -5.261 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.647 -0.602 -5.714 1.00 0.00 H new ATOM 0 HG2 LYS A 22 66.686 0.069 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 22 67.554 1.316 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.301 0.764 -5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.670 0.725 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 22 66.160 2.966 -3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.979 3.037 -5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.082 4.089 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.568 2.716 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.743 2.647 -3.272 1.00 0.00 H new ATOM 356 N ASN A 23 65.843 -3.134 -5.491 1.00 0.00 N ATOM 357 CA ASN A 23 65.433 -4.219 -6.430 1.00 0.00 C ATOM 358 C ASN A 23 65.580 -5.583 -5.755 1.00 0.00 C ATOM 359 O ASN A 23 65.582 -6.611 -6.402 1.00 0.00 O ATOM 360 CB ASN A 23 66.388 -4.102 -7.619 1.00 0.00 C ATOM 361 CG ASN A 23 65.696 -4.620 -8.881 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.500 -4.473 -9.037 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.402 -5.225 -9.796 1.00 0.00 N ATOM 0 H ASN A 23 65.088 -2.526 -5.175 1.00 0.00 H new ATOM 0 HA ASN A 23 64.391 -4.126 -6.737 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.689 -3.063 -7.757 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.296 -4.674 -7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.950 -5.574 -10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.406 -5.349 -9.666 1.00 0.00 H new ATOM 370 N LEU A 24 65.703 -5.601 -4.455 1.00 0.00 N ATOM 371 CA LEU A 24 65.849 -6.900 -3.739 1.00 0.00 C ATOM 372 C LEU A 24 64.545 -7.696 -3.821 1.00 0.00 C ATOM 373 O LEU A 24 63.686 -7.417 -4.634 1.00 0.00 O ATOM 374 CB LEU A 24 66.154 -6.523 -2.288 1.00 0.00 C ATOM 375 CG LEU A 24 67.648 -6.239 -2.136 1.00 0.00 C ATOM 376 CD1 LEU A 24 68.449 -7.442 -2.636 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.014 -5.004 -2.962 1.00 0.00 C ATOM 0 H LEU A 24 65.709 -4.773 -3.859 1.00 0.00 H new ATOM 0 HA LEU A 24 66.632 -7.523 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.575 -5.645 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU A 24 65.858 -7.333 -1.621 1.00 0.00 H new ATOM 0 HG LEU A 24 67.881 -6.059 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 24 69.515 -7.240 -2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 24 68.186 -8.323 -2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 24 68.219 -7.622 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.079 -4.798 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 24 67.782 -5.186 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 24 67.442 -4.147 -2.608 1.00 0.00 H new ATOM 389 N SER A 25 64.390 -8.683 -2.983 1.00 0.00 N ATOM 390 CA SER A 25 63.141 -9.494 -3.010 1.00 0.00 C ATOM 391 C SER A 25 62.530 -9.555 -1.609 1.00 0.00 C ATOM 392 O SER A 25 63.095 -9.063 -0.652 1.00 0.00 O ATOM 393 CB SER A 25 63.578 -10.884 -3.463 1.00 0.00 C ATOM 394 OG SER A 25 62.570 -11.447 -4.290 1.00 0.00 O ATOM 0 H SER A 25 65.074 -8.963 -2.281 1.00 0.00 H new ATOM 0 HA SER A 25 62.386 -9.071 -3.673 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.519 -10.822 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.753 -11.523 -2.597 1.00 0.00 H new ATOM 0 HG SER A 25 62.579 -12.423 -4.198 1.00 0.00 H new ATOM 400 N PHE A 26 61.380 -10.154 -1.480 1.00 0.00 N ATOM 401 CA PHE A 26 60.737 -10.248 -0.143 1.00 0.00 C ATOM 402 C PHE A 26 61.374 -11.382 0.665 1.00 0.00 C ATOM 403 O PHE A 26 61.093 -11.559 1.834 1.00 0.00 O ATOM 404 CB PHE A 26 59.274 -10.556 -0.446 1.00 0.00 C ATOM 405 CG PHE A 26 58.461 -9.286 -0.358 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.615 -8.290 -1.330 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.553 -9.105 0.692 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.862 -7.113 -1.252 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.800 -7.928 0.769 1.00 0.00 C ATOM 410 CZ PHE A 26 56.953 -6.933 -0.203 1.00 0.00 C ATOM 0 H PHE A 26 60.858 -10.583 -2.244 1.00 0.00 H new ATOM 0 HA PHE A 26 60.851 -9.339 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.182 -10.991 -1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 26 58.893 -11.293 0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.315 -8.430 -2.140 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.434 -9.873 1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.982 -6.344 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.100 -7.787 1.579 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.370 -6.026 -0.144 1.00 0.00 H new ATOM 420 N ASN A 27 62.226 -12.153 0.047 1.00 0.00 N ATOM 421 CA ASN A 27 62.877 -13.276 0.769 1.00 0.00 C ATOM 422 C ASN A 27 64.354 -12.963 1.035 1.00 0.00 C ATOM 423 O ASN A 27 64.868 -13.225 2.105 1.00 0.00 O ATOM 424 CB ASN A 27 62.744 -14.478 -0.166 1.00 0.00 C ATOM 425 CG ASN A 27 62.652 -15.762 0.660 1.00 0.00 C ATOM 426 OD1 ASN A 27 63.608 -16.160 1.295 1.00 0.00 O ATOM 427 ND2 ASN A 27 61.531 -16.432 0.680 1.00 0.00 N ATOM 0 H ASN A 27 62.499 -12.051 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 27 62.417 -13.459 1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.856 -14.370 -0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.601 -14.526 -0.837 1.00 0.00 H new ATOM 0 HD21 ASN A 27 61.459 -17.289 1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 27 60.728 -16.098 0.147 1.00 0.00 H new ATOM 434 N ILE A 28 65.042 -12.409 0.074 1.00 0.00 N ATOM 435 CA ILE A 28 66.485 -12.088 0.280 1.00 0.00 C ATOM 436 C ILE A 28 66.696 -11.472 1.665 1.00 0.00 C ATOM 437 O ILE A 28 65.760 -11.053 2.316 1.00 0.00 O ATOM 438 CB ILE A 28 66.835 -11.083 -0.818 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.357 -10.967 -0.936 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.249 -9.713 -0.474 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.739 -10.693 -2.391 1.00 0.00 C ATOM 0 H ILE A 28 64.669 -12.165 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 28 67.116 -12.976 0.229 1.00 0.00 H new ATOM 0 HB ILE A 28 66.417 -11.427 -1.764 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.721 -10.163 -0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.830 -11.887 -0.592 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.502 -9.001 -1.260 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.165 -9.791 -0.390 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.662 -9.368 0.474 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.823 -10.611 -2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.388 -11.512 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.278 -9.761 -2.719 1.00 0.00 H new ATOM 453 N THR A 29 67.918 -11.416 2.120 1.00 0.00 N ATOM 454 CA THR A 29 68.185 -10.830 3.468 1.00 0.00 C ATOM 455 C THR A 29 69.656 -10.425 3.595 1.00 0.00 C ATOM 456 O THR A 29 70.445 -10.596 2.681 1.00 0.00 O ATOM 457 CB THR A 29 67.864 -11.952 4.456 1.00 0.00 C ATOM 458 OG1 THR A 29 68.438 -13.166 3.992 1.00 0.00 O ATOM 459 CG2 THR A 29 66.348 -12.114 4.577 1.00 0.00 C ATOM 0 H THR A 29 68.742 -11.749 1.620 1.00 0.00 H new ATOM 0 HA THR A 29 67.590 -9.934 3.648 1.00 0.00 H new ATOM 0 HB THR A 29 68.277 -11.704 5.434 1.00 0.00 H new ATOM 0 HG1 THR A 29 69.218 -12.966 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.123 -12.914 5.282 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.910 -11.182 4.934 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.929 -12.361 3.601 1.00 0.00 H new ATOM 467 N GLU A 30 70.035 -9.898 4.727 1.00 0.00 N ATOM 468 CA GLU A 30 71.454 -9.496 4.915 1.00 0.00 C ATOM 469 C GLU A 30 72.362 -10.654 4.513 1.00 0.00 C ATOM 470 O GLU A 30 73.438 -10.460 3.988 1.00 0.00 O ATOM 471 CB GLU A 30 71.592 -9.192 6.407 1.00 0.00 C ATOM 472 CG GLU A 30 73.058 -8.901 6.734 1.00 0.00 C ATOM 473 CD GLU A 30 73.488 -9.733 7.943 1.00 0.00 C ATOM 474 OE1 GLU A 30 73.510 -10.948 7.823 1.00 0.00 O ATOM 475 OE2 GLU A 30 73.788 -9.144 8.968 1.00 0.00 O ATOM 0 H GLU A 30 69.424 -9.730 5.526 1.00 0.00 H new ATOM 0 HA GLU A 30 71.733 -8.635 4.308 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.972 -8.336 6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.238 -10.038 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.687 -9.137 5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 30 73.191 -7.840 6.944 1.00 0.00 H new ATOM 482 N ASP A 31 71.923 -11.862 4.739 1.00 0.00 N ATOM 483 CA ASP A 31 72.753 -13.037 4.352 1.00 0.00 C ATOM 484 C ASP A 31 73.098 -12.939 2.868 1.00 0.00 C ATOM 485 O ASP A 31 74.247 -12.808 2.491 1.00 0.00 O ATOM 486 CB ASP A 31 71.872 -14.257 4.624 1.00 0.00 C ATOM 487 CG ASP A 31 71.940 -14.616 6.109 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.913 -14.245 6.745 1.00 0.00 O ATOM 489 OD2 ASP A 31 71.018 -15.257 6.586 1.00 0.00 O ATOM 0 H ASP A 31 71.028 -12.085 5.174 1.00 0.00 H new ATOM 0 HA ASP A 31 73.691 -13.094 4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.842 -14.046 4.337 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.205 -15.101 4.020 1.00 0.00 H new ATOM 494 N GLU A 32 72.107 -12.982 2.025 1.00 0.00 N ATOM 495 CA GLU A 32 72.372 -12.870 0.565 1.00 0.00 C ATOM 496 C GLU A 32 73.142 -11.579 0.294 1.00 0.00 C ATOM 497 O GLU A 32 74.015 -11.519 -0.554 1.00 0.00 O ATOM 498 CB GLU A 32 70.993 -12.826 -0.093 1.00 0.00 C ATOM 499 CG GLU A 32 70.353 -14.215 -0.032 1.00 0.00 C ATOM 500 CD GLU A 32 69.498 -14.329 1.232 1.00 0.00 C ATOM 501 OE1 GLU A 32 70.063 -14.279 2.312 1.00 0.00 O ATOM 502 OE2 GLU A 32 68.293 -14.465 1.097 1.00 0.00 O ATOM 0 H GLU A 32 71.126 -13.090 2.283 1.00 0.00 H new ATOM 0 HA GLU A 32 72.968 -13.697 0.179 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.359 -12.099 0.415 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.083 -12.501 -1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.738 -14.383 -0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.126 -14.983 -0.031 1.00 0.00 H new ATOM 509 N LEU A 33 72.842 -10.550 1.037 1.00 0.00 N ATOM 510 CA LEU A 33 73.565 -9.270 0.852 1.00 0.00 C ATOM 511 C LEU A 33 74.997 -9.463 1.326 1.00 0.00 C ATOM 512 O LEU A 33 75.928 -8.891 0.794 1.00 0.00 O ATOM 513 CB LEU A 33 72.830 -8.259 1.732 1.00 0.00 C ATOM 514 CG LEU A 33 71.679 -7.637 0.942 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.633 -7.082 1.910 1.00 0.00 C ATOM 516 CD2 LEU A 33 72.217 -6.501 0.068 1.00 0.00 C ATOM 0 H LEU A 33 72.126 -10.544 1.764 1.00 0.00 H new ATOM 0 HA LEU A 33 73.593 -8.933 -0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.447 -8.750 2.627 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.518 -7.482 2.065 1.00 0.00 H new ATOM 0 HG LEU A 33 71.220 -8.398 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.813 -6.639 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.249 -7.890 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 33 71.090 -6.321 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 33 71.397 -6.056 -0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 33 72.676 -5.741 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.961 -6.895 -0.624 1.00 0.00 H new ATOM 528 N LYS A 34 75.179 -10.289 2.318 1.00 0.00 N ATOM 529 CA LYS A 34 76.548 -10.546 2.821 1.00 0.00 C ATOM 530 C LYS A 34 77.280 -11.440 1.828 1.00 0.00 C ATOM 531 O LYS A 34 78.490 -11.425 1.722 1.00 0.00 O ATOM 532 CB LYS A 34 76.366 -11.253 4.164 1.00 0.00 C ATOM 533 CG LYS A 34 77.380 -10.706 5.171 1.00 0.00 C ATOM 534 CD LYS A 34 78.373 -11.807 5.545 1.00 0.00 C ATOM 535 CE LYS A 34 79.101 -12.287 4.288 1.00 0.00 C ATOM 536 NZ LYS A 34 80.329 -12.965 4.790 1.00 0.00 N ATOM 0 H LYS A 34 74.436 -10.795 2.799 1.00 0.00 H new ATOM 0 HA LYS A 34 77.134 -9.634 2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.352 -11.100 4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 34 76.502 -12.328 4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.909 -9.854 4.744 1.00 0.00 H new ATOM 0 HG3 LYS A 34 76.866 -10.347 6.063 1.00 0.00 H new ATOM 0 HD2 LYS A 34 79.092 -11.431 6.273 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.849 -12.639 6.015 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.481 -12.971 3.709 1.00 0.00 H new ATOM 0 HE3 LYS A 34 79.351 -11.452 3.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 80.882 -13.322 3.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.903 -12.287 5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.060 -13.759 5.405 1.00 0.00 H new ATOM 550 N GLU A 35 76.536 -12.208 1.089 1.00 0.00 N ATOM 551 CA GLU A 35 77.151 -13.105 0.079 1.00 0.00 C ATOM 552 C GLU A 35 77.499 -12.298 -1.171 1.00 0.00 C ATOM 553 O GLU A 35 78.496 -12.540 -1.822 1.00 0.00 O ATOM 554 CB GLU A 35 76.082 -14.151 -0.234 1.00 0.00 C ATOM 555 CG GLU A 35 76.544 -15.021 -1.404 1.00 0.00 C ATOM 556 CD GLU A 35 76.845 -16.434 -0.902 1.00 0.00 C ATOM 557 OE1 GLU A 35 76.976 -16.600 0.300 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.938 -17.328 -1.727 1.00 0.00 O ATOM 0 H GLU A 35 75.518 -12.253 1.142 1.00 0.00 H new ATOM 0 HA GLU A 35 78.071 -13.570 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.898 -14.771 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.140 -13.661 -0.481 1.00 0.00 H new ATOM 0 HG2 GLU A 35 75.773 -15.054 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.434 -14.589 -1.863 1.00 0.00 H new ATOM 565 N VAL A 36 76.689 -11.329 -1.499 1.00 0.00 N ATOM 566 CA VAL A 36 76.978 -10.492 -2.695 1.00 0.00 C ATOM 567 C VAL A 36 77.955 -9.385 -2.310 1.00 0.00 C ATOM 568 O VAL A 36 78.844 -9.034 -3.060 1.00 0.00 O ATOM 569 CB VAL A 36 75.628 -9.902 -3.106 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.852 -8.712 -4.041 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.805 -10.969 -3.830 1.00 0.00 C ATOM 0 H VAL A 36 75.840 -11.082 -0.990 1.00 0.00 H new ATOM 0 HA VAL A 36 77.429 -11.059 -3.509 1.00 0.00 H new ATOM 0 HB VAL A 36 75.093 -9.569 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.889 -8.293 -4.333 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.439 -7.951 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.388 -9.044 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.843 -10.549 -4.123 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.342 -11.302 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.643 -11.817 -3.165 1.00 0.00 H new ATOM 581 N PHE A 37 77.794 -8.831 -1.139 1.00 0.00 N ATOM 582 CA PHE A 37 78.700 -7.751 -0.693 1.00 0.00 C ATOM 583 C PHE A 37 79.703 -8.291 0.334 1.00 0.00 C ATOM 584 O PHE A 37 79.847 -7.755 1.414 1.00 0.00 O ATOM 585 CB PHE A 37 77.772 -6.730 -0.047 1.00 0.00 C ATOM 586 CG PHE A 37 76.866 -6.134 -1.097 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.404 -5.344 -2.120 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.487 -6.373 -1.047 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.561 -4.792 -3.093 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.646 -5.822 -2.020 1.00 0.00 C ATOM 591 CZ PHE A 37 75.182 -5.032 -3.042 1.00 0.00 C ATOM 0 H PHE A 37 77.066 -9.087 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 37 79.285 -7.326 -1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.178 -7.206 0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.356 -5.944 0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.468 -5.160 -2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.073 -6.983 -0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.974 -4.182 -3.882 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.583 -6.007 -1.982 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.532 -4.607 -3.792 1.00 0.00 H new ATOM 601 N GLU A 38 80.391 -9.349 0.006 1.00 0.00 N ATOM 602 CA GLU A 38 81.379 -9.924 0.966 1.00 0.00 C ATOM 603 C GLU A 38 82.506 -8.922 1.238 1.00 0.00 C ATOM 604 O GLU A 38 83.319 -9.115 2.121 1.00 0.00 O ATOM 605 CB GLU A 38 81.927 -11.171 0.270 1.00 0.00 C ATOM 606 CG GLU A 38 81.308 -12.421 0.899 1.00 0.00 C ATOM 607 CD GLU A 38 82.395 -13.228 1.609 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.188 -12.625 2.313 1.00 0.00 O ATOM 609 OE2 GLU A 38 82.418 -14.435 1.436 1.00 0.00 O ATOM 0 H GLU A 38 80.313 -9.841 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 38 80.927 -10.158 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.698 -11.136 -0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 38 83.013 -11.204 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 38 80.530 -12.137 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.832 -13.030 0.130 1.00 0.00 H new ATOM 616 N ASP A 39 82.564 -7.858 0.487 1.00 0.00 N ATOM 617 CA ASP A 39 83.642 -6.849 0.705 1.00 0.00 C ATOM 618 C ASP A 39 83.130 -5.703 1.581 1.00 0.00 C ATOM 619 O ASP A 39 83.773 -4.681 1.718 1.00 0.00 O ATOM 620 CB ASP A 39 83.994 -6.341 -0.693 1.00 0.00 C ATOM 621 CG ASP A 39 85.515 -6.290 -0.850 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.125 -5.423 -0.248 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.044 -7.120 -1.572 1.00 0.00 O ATOM 0 H ASP A 39 81.913 -7.642 -0.268 1.00 0.00 H new ATOM 0 HA ASP A 39 84.507 -7.273 1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.562 -6.996 -1.449 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.568 -5.350 -0.849 1.00 0.00 H new ATOM 628 N ALA A 40 81.979 -5.862 2.175 1.00 0.00 N ATOM 629 CA ALA A 40 81.435 -4.777 3.040 1.00 0.00 C ATOM 630 C ALA A 40 81.449 -5.210 4.510 1.00 0.00 C ATOM 631 O ALA A 40 81.648 -6.366 4.824 1.00 0.00 O ATOM 632 CB ALA A 40 79.999 -4.567 2.557 1.00 0.00 C ATOM 0 H ALA A 40 81.393 -6.694 2.099 1.00 0.00 H new ATOM 0 HA ALA A 40 82.026 -3.863 2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.528 -3.780 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.007 -4.277 1.506 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.437 -5.494 2.673 1.00 0.00 H new ATOM 638 N LEU A 41 81.237 -4.289 5.411 1.00 0.00 N ATOM 639 CA LEU A 41 81.236 -4.646 6.856 1.00 0.00 C ATOM 640 C LEU A 41 79.915 -5.318 7.219 1.00 0.00 C ATOM 641 O LEU A 41 79.878 -6.322 7.902 1.00 0.00 O ATOM 642 CB LEU A 41 81.373 -3.326 7.630 1.00 0.00 C ATOM 643 CG LEU A 41 82.250 -2.335 6.861 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.713 -1.226 7.807 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.469 -3.064 6.291 1.00 0.00 C ATOM 0 H LEU A 41 81.064 -3.305 5.207 1.00 0.00 H new ATOM 0 HA LEU A 41 82.047 -5.334 7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.387 -2.893 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.807 -3.518 8.611 1.00 0.00 H new ATOM 0 HG LEU A 41 81.675 -1.900 6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.338 -0.519 7.261 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.844 -0.706 8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 41 83.287 -1.661 8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.093 -2.357 5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 41 84.046 -3.501 7.106 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.138 -3.854 5.617 1.00 0.00 H new ATOM 657 N GLU A 42 78.828 -4.759 6.768 1.00 0.00 N ATOM 658 CA GLU A 42 77.495 -5.348 7.085 1.00 0.00 C ATOM 659 C GLU A 42 76.423 -4.770 6.160 1.00 0.00 C ATOM 660 O GLU A 42 76.644 -3.797 5.467 1.00 0.00 O ATOM 661 CB GLU A 42 77.221 -4.944 8.534 1.00 0.00 C ATOM 662 CG GLU A 42 77.874 -5.957 9.475 1.00 0.00 C ATOM 663 CD GLU A 42 76.902 -6.310 10.601 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.138 -5.442 10.992 1.00 0.00 O ATOM 665 OE2 GLU A 42 76.937 -7.442 11.054 1.00 0.00 O ATOM 0 H GLU A 42 78.804 -3.918 6.192 1.00 0.00 H new ATOM 0 HA GLU A 42 77.481 -6.429 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.615 -3.946 8.726 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.147 -4.903 8.715 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.150 -6.856 8.924 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.793 -5.543 9.890 1.00 0.00 H new ATOM 672 N ILE A 43 75.265 -5.367 6.144 1.00 0.00 N ATOM 673 CA ILE A 43 74.177 -4.857 5.263 1.00 0.00 C ATOM 674 C ILE A 43 72.838 -4.867 6.003 1.00 0.00 C ATOM 675 O ILE A 43 72.619 -5.649 6.907 1.00 0.00 O ATOM 676 CB ILE A 43 74.135 -5.827 4.084 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.318 -5.551 3.156 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.828 -5.642 3.310 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.848 -6.873 2.600 1.00 0.00 C ATOM 0 H ILE A 43 75.024 -6.186 6.702 1.00 0.00 H new ATOM 0 HA ILE A 43 74.357 -3.830 4.947 1.00 0.00 H new ATOM 0 HB ILE A 43 74.193 -6.850 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.009 -4.898 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.107 -5.030 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.802 -6.336 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.983 -5.839 3.970 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.767 -4.619 2.938 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.692 -6.677 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.173 -7.510 3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.058 -7.376 2.042 1.00 0.00 H new ATOM 691 N ARG A 44 71.940 -4.007 5.615 1.00 0.00 N ATOM 692 CA ARG A 44 70.609 -3.959 6.273 1.00 0.00 C ATOM 693 C ARG A 44 69.519 -4.018 5.195 1.00 0.00 C ATOM 694 O ARG A 44 69.787 -3.852 4.022 1.00 0.00 O ATOM 695 CB ARG A 44 70.610 -2.619 7.032 1.00 0.00 C ATOM 696 CG ARG A 44 69.258 -1.916 6.894 1.00 0.00 C ATOM 697 CD ARG A 44 69.147 -0.808 7.944 1.00 0.00 C ATOM 698 NE ARG A 44 70.332 0.063 7.712 1.00 0.00 N ATOM 699 CZ ARG A 44 70.473 1.168 8.392 1.00 0.00 C ATOM 700 NH1 ARG A 44 70.705 1.119 9.675 1.00 0.00 N ATOM 701 NH2 ARG A 44 70.380 2.322 7.790 1.00 0.00 N ATOM 0 H ARG A 44 72.074 -3.330 4.864 1.00 0.00 H new ATOM 0 HA ARG A 44 70.416 -4.790 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 44 70.829 -2.793 8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.400 -1.977 6.644 1.00 0.00 H new ATOM 0 HG2 ARG A 44 69.156 -1.495 5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.448 -2.634 7.022 1.00 0.00 H new ATOM 0 HD2 ARG A 44 68.218 -0.249 7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.151 -1.219 8.953 1.00 0.00 H new ATOM 0 HE ARG A 44 71.034 -0.204 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 44 70.776 0.217 10.146 1.00 0.00 H new ATOM 0 HH12 ARG A 44 70.815 1.982 10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 44 70.197 2.361 6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 44 70.490 3.185 8.322 1.00 0.00 H new ATOM 715 N LEU A 45 68.294 -4.250 5.577 1.00 0.00 N ATOM 716 CA LEU A 45 67.205 -4.315 4.566 1.00 0.00 C ATOM 717 C LEU A 45 66.339 -3.060 4.651 1.00 0.00 C ATOM 718 O LEU A 45 66.414 -2.308 5.602 1.00 0.00 O ATOM 719 CB LEU A 45 66.391 -5.557 4.928 1.00 0.00 C ATOM 720 CG LEU A 45 65.557 -5.985 3.720 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.469 -6.153 2.502 1.00 0.00 C ATOM 722 CD2 LEU A 45 64.866 -7.314 4.024 1.00 0.00 C ATOM 0 H LEU A 45 68.001 -4.397 6.543 1.00 0.00 H new ATOM 0 HA LEU A 45 67.590 -4.370 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.056 -6.366 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.741 -5.345 5.777 1.00 0.00 H new ATOM 0 HG LEU A 45 64.806 -5.223 3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.874 -6.458 1.641 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.963 -5.206 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.220 -6.914 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.271 -7.620 3.163 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.617 -8.075 4.235 1.00 0.00 H new ATOM 0 HD23 LEU A 45 64.216 -7.196 4.891 1.00 0.00 H new ATOM 734 N VAL A 46 65.521 -2.822 3.665 1.00 0.00 N ATOM 735 CA VAL A 46 64.663 -1.608 3.699 1.00 0.00 C ATOM 736 C VAL A 46 63.405 -1.807 2.848 1.00 0.00 C ATOM 737 O VAL A 46 63.458 -2.278 1.719 1.00 0.00 O ATOM 738 CB VAL A 46 65.538 -0.496 3.130 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.727 0.796 3.044 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.742 -0.285 4.050 1.00 0.00 C ATOM 0 H VAL A 46 65.410 -3.413 2.841 1.00 0.00 H new ATOM 0 HA VAL A 46 64.314 -1.378 4.706 1.00 0.00 H new ATOM 0 HB VAL A 46 65.883 -0.772 2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.352 1.591 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.866 0.642 2.394 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.384 1.077 4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.372 0.509 3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.395 -0.005 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.318 -1.208 4.113 1.00 0.00 H new ATOM 750 N SER A 47 62.272 -1.448 3.393 1.00 0.00 N ATOM 751 CA SER A 47 60.989 -1.601 2.655 1.00 0.00 C ATOM 752 C SER A 47 60.386 -0.230 2.346 1.00 0.00 C ATOM 753 O SER A 47 61.015 0.793 2.533 1.00 0.00 O ATOM 754 CB SER A 47 60.083 -2.378 3.607 1.00 0.00 C ATOM 755 OG SER A 47 59.341 -1.463 4.402 1.00 0.00 O ATOM 0 H SER A 47 62.183 -1.051 4.328 1.00 0.00 H new ATOM 0 HA SER A 47 61.120 -2.111 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.406 -3.018 3.041 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.680 -3.030 4.244 1.00 0.00 H new ATOM 0 HG SER A 47 58.757 -1.959 5.013 1.00 0.00 H new ATOM 819 N SER A 52 57.907 -4.907 2.883 1.00 0.00 N ATOM 820 CA SER A 52 59.154 -5.108 2.086 1.00 0.00 C ATOM 821 C SER A 52 59.019 -4.475 0.699 1.00 0.00 C ATOM 822 O SER A 52 58.009 -4.605 0.038 1.00 0.00 O ATOM 823 CB SER A 52 59.309 -6.621 1.973 1.00 0.00 C ATOM 824 OG SER A 52 59.621 -6.966 0.631 1.00 0.00 O ATOM 0 HA SER A 52 60.019 -4.641 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 52 60.097 -6.967 2.641 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.388 -7.116 2.282 1.00 0.00 H new ATOM 0 HG SER A 52 58.853 -7.416 0.222 1.00 0.00 H new ATOM 830 N LYS A 53 60.034 -3.788 0.262 1.00 0.00 N ATOM 831 CA LYS A 53 59.977 -3.139 -1.078 1.00 0.00 C ATOM 832 C LYS A 53 61.165 -3.588 -1.928 1.00 0.00 C ATOM 833 O LYS A 53 61.154 -3.476 -3.137 1.00 0.00 O ATOM 834 CB LYS A 53 60.055 -1.638 -0.796 1.00 0.00 C ATOM 835 CG LYS A 53 59.562 -0.864 -2.020 1.00 0.00 C ATOM 836 CD LYS A 53 59.732 0.638 -1.777 1.00 0.00 C ATOM 837 CE LYS A 53 60.086 1.331 -3.094 1.00 0.00 C ATOM 838 NZ LYS A 53 58.934 2.230 -3.377 1.00 0.00 N ATOM 0 H LYS A 53 60.904 -3.646 0.775 1.00 0.00 H new ATOM 0 HA LYS A 53 59.073 -3.402 -1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.448 -1.388 0.074 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.081 -1.354 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.123 -1.166 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.514 -1.096 -2.212 1.00 0.00 H new ATOM 0 HD2 LYS A 53 58.813 1.057 -1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.516 0.812 -1.040 1.00 0.00 H new ATOM 0 HE2 LYS A 53 61.015 1.895 -3.006 1.00 0.00 H new ATOM 0 HE3 LYS A 53 60.228 0.606 -3.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 59.103 2.741 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 58.065 1.665 -3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 58.828 2.913 -2.600 1.00 0.00 H new ATOM 852 N GLY A 54 62.191 -4.097 -1.304 1.00 0.00 N ATOM 853 CA GLY A 54 63.375 -4.553 -2.074 1.00 0.00 C ATOM 854 C GLY A 54 64.532 -3.578 -1.856 1.00 0.00 C ATOM 855 O GLY A 54 65.420 -3.469 -2.677 1.00 0.00 O ATOM 0 H GLY A 54 62.258 -4.216 -0.293 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.665 -5.555 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.131 -4.613 -3.135 1.00 0.00 H new ATOM 859 N ILE A 55 64.541 -2.868 -0.757 1.00 0.00 N ATOM 860 CA ILE A 55 65.657 -1.916 -0.513 1.00 0.00 C ATOM 861 C ILE A 55 66.531 -2.427 0.634 1.00 0.00 C ATOM 862 O ILE A 55 66.137 -3.298 1.380 1.00 0.00 O ATOM 863 CB ILE A 55 64.980 -0.597 -0.141 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.846 -0.313 -1.129 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.003 0.537 -0.205 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.140 0.985 -0.734 1.00 0.00 C ATOM 0 H ILE A 55 63.830 -2.908 -0.027 1.00 0.00 H new ATOM 0 HA ILE A 55 66.307 -1.800 -1.380 1.00 0.00 H new ATOM 0 HB ILE A 55 64.577 -0.667 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.243 -0.230 -2.141 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.136 -1.140 -1.132 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.520 1.478 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.814 0.335 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.405 0.608 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.332 1.188 -1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.730 0.885 0.271 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.854 1.808 -0.754 1.00 0.00 H new ATOM 878 N ALA A 56 67.717 -1.902 0.776 1.00 0.00 N ATOM 879 CA ALA A 56 68.607 -2.371 1.876 1.00 0.00 C ATOM 880 C ALA A 56 69.782 -1.405 2.051 1.00 0.00 C ATOM 881 O ALA A 56 70.071 -0.600 1.188 1.00 0.00 O ATOM 882 CB ALA A 56 69.106 -3.742 1.420 1.00 0.00 C ATOM 0 H ALA A 56 68.107 -1.171 0.181 1.00 0.00 H new ATOM 0 HA ALA A 56 68.090 -2.422 2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.770 -4.158 2.177 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.256 -4.409 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.648 -3.638 0.480 1.00 0.00 H new ATOM 888 N TYR A 57 70.466 -1.482 3.159 1.00 0.00 N ATOM 889 CA TYR A 57 71.626 -0.572 3.384 1.00 0.00 C ATOM 890 C TYR A 57 72.927 -1.378 3.393 1.00 0.00 C ATOM 891 O TYR A 57 73.058 -2.353 4.106 1.00 0.00 O ATOM 892 CB TYR A 57 71.378 0.062 4.753 1.00 0.00 C ATOM 893 CG TYR A 57 71.027 1.521 4.579 1.00 0.00 C ATOM 894 CD1 TYR A 57 72.043 2.478 4.468 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.685 1.916 4.532 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.717 3.830 4.309 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.359 3.269 4.373 1.00 0.00 C ATOM 898 CZ TYR A 57 70.375 4.226 4.262 1.00 0.00 C ATOM 899 OH TYR A 57 70.053 5.558 4.105 1.00 0.00 O ATOM 0 H TYR A 57 70.273 -2.135 3.918 1.00 0.00 H new ATOM 0 HA TYR A 57 71.720 0.181 2.602 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.569 -0.459 5.265 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.266 -0.037 5.377 1.00 0.00 H new ATOM 0 HD1 TYR A 57 73.078 2.173 4.505 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.901 1.178 4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.501 4.568 4.223 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.324 3.574 4.336 1.00 0.00 H new ATOM 0 HH TYR A 57 69.078 5.660 4.092 1.00 0.00 H new ATOM 909 N ILE A 58 73.887 -0.984 2.603 1.00 0.00 N ATOM 910 CA ILE A 58 75.175 -1.738 2.566 1.00 0.00 C ATOM 911 C ILE A 58 76.313 -0.853 3.086 1.00 0.00 C ATOM 912 O ILE A 58 76.589 0.199 2.544 1.00 0.00 O ATOM 913 CB ILE A 58 75.413 -2.095 1.089 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.079 -2.241 0.347 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.179 -3.415 1.003 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.265 -3.370 0.978 1.00 0.00 C ATOM 0 H ILE A 58 73.838 -0.176 1.983 1.00 0.00 H new ATOM 0 HA ILE A 58 75.139 -2.630 3.191 1.00 0.00 H new ATOM 0 HB ILE A 58 75.990 -1.294 0.626 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.521 -1.306 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.258 -2.453 -0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.349 -3.670 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.138 -3.313 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.598 -4.205 1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.317 -3.474 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.823 -4.304 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 58 73.074 -3.139 2.026 1.00 0.00 H new ATOM 928 N GLU A 59 76.982 -1.271 4.128 1.00 0.00 N ATOM 929 CA GLU A 59 78.106 -0.449 4.670 1.00 0.00 C ATOM 930 C GLU A 59 79.430 -1.172 4.433 1.00 0.00 C ATOM 931 O GLU A 59 79.602 -2.309 4.826 1.00 0.00 O ATOM 932 CB GLU A 59 77.862 -0.291 6.184 1.00 0.00 C ATOM 933 CG GLU A 59 76.443 -0.723 6.570 1.00 0.00 C ATOM 934 CD GLU A 59 75.425 0.126 5.807 1.00 0.00 C ATOM 935 OE1 GLU A 59 75.436 1.333 5.988 1.00 0.00 O ATOM 936 OE2 GLU A 59 74.652 -0.445 5.055 1.00 0.00 O ATOM 0 H GLU A 59 76.801 -2.142 4.626 1.00 0.00 H new ATOM 0 HA GLU A 59 78.152 0.524 4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.588 -0.888 6.735 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.019 0.748 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.298 -1.778 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 59 76.296 -0.608 7.644 1.00 0.00 H new ATOM 943 N PHE A 60 80.370 -0.530 3.799 1.00 0.00 N ATOM 944 CA PHE A 60 81.675 -1.200 3.553 1.00 0.00 C ATOM 945 C PHE A 60 82.754 -0.618 4.462 1.00 0.00 C ATOM 946 O PHE A 60 82.525 0.316 5.206 1.00 0.00 O ATOM 947 CB PHE A 60 82.008 -0.920 2.090 1.00 0.00 C ATOM 948 CG PHE A 60 81.028 -1.646 1.200 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.712 -1.185 1.083 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.438 -2.782 0.490 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.805 -1.858 0.255 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.531 -3.456 -0.336 1.00 0.00 C ATOM 953 CZ PHE A 60 79.215 -2.994 -0.454 1.00 0.00 C ATOM 0 H PHE A 60 80.292 0.423 3.443 1.00 0.00 H new ATOM 0 HA PHE A 60 81.625 -2.269 3.761 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.966 0.152 1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.025 -1.245 1.869 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.396 -0.310 1.631 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.454 -3.138 0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.790 -1.501 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.847 -4.333 -0.882 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.516 -3.514 -1.092 1.00 0.00 H new ATOM 963 N LYS A 61 83.928 -1.172 4.409 1.00 0.00 N ATOM 964 CA LYS A 61 85.038 -0.668 5.270 1.00 0.00 C ATOM 965 C LYS A 61 85.554 0.672 4.746 1.00 0.00 C ATOM 966 O LYS A 61 86.184 1.428 5.459 1.00 0.00 O ATOM 967 CB LYS A 61 86.128 -1.736 5.175 1.00 0.00 C ATOM 968 CG LYS A 61 86.667 -2.041 6.575 1.00 0.00 C ATOM 969 CD LYS A 61 86.609 -3.548 6.828 1.00 0.00 C ATOM 970 CE LYS A 61 87.536 -3.908 7.991 1.00 0.00 C ATOM 971 NZ LYS A 61 87.052 -5.232 8.473 1.00 0.00 N ATOM 0 H LYS A 61 84.172 -1.957 3.805 1.00 0.00 H new ATOM 0 HA LYS A 61 84.717 -0.501 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.725 -2.643 4.723 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.936 -1.390 4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.693 -1.686 6.666 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.079 -1.513 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 61 85.587 -3.850 7.057 1.00 0.00 H new ATOM 0 HD3 LYS A 61 86.907 -4.090 5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.575 -3.962 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 61 87.488 -3.158 8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 87.639 -5.546 9.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 86.063 -5.148 8.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 87.116 -5.927 7.702 1.00 0.00 H new ATOM 985 N SER A 62 85.294 0.975 3.505 1.00 0.00 N ATOM 986 CA SER A 62 85.774 2.268 2.939 1.00 0.00 C ATOM 987 C SER A 62 85.016 2.598 1.651 1.00 0.00 C ATOM 988 O SER A 62 84.458 1.732 1.005 1.00 0.00 O ATOM 989 CB SER A 62 87.257 2.047 2.644 1.00 0.00 C ATOM 990 OG SER A 62 87.730 0.944 3.406 1.00 0.00 O ATOM 0 H SER A 62 84.771 0.385 2.858 1.00 0.00 H new ATOM 0 HA SER A 62 85.614 3.101 3.624 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.403 1.858 1.581 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.826 2.944 2.890 1.00 0.00 H new ATOM 0 HG SER A 62 87.533 0.110 2.931 1.00 0.00 H new ATOM 996 N GLU A 63 84.992 3.846 1.272 1.00 0.00 N ATOM 997 CA GLU A 63 84.274 4.234 0.025 1.00 0.00 C ATOM 998 C GLU A 63 84.734 3.355 -1.138 1.00 0.00 C ATOM 999 O GLU A 63 83.956 2.988 -1.997 1.00 0.00 O ATOM 1000 CB GLU A 63 84.659 5.693 -0.217 1.00 0.00 C ATOM 1001 CG GLU A 63 84.429 6.501 1.061 1.00 0.00 C ATOM 1002 CD GLU A 63 85.778 6.883 1.673 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.665 7.249 0.920 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.900 6.802 2.885 1.00 0.00 O ATOM 0 H GLU A 63 85.439 4.614 1.772 1.00 0.00 H new ATOM 0 HA GLU A 63 83.195 4.109 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.704 5.759 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.066 6.106 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.852 7.398 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.847 5.917 1.774 1.00 0.00 H new ATOM 1011 N ALA A 64 85.991 3.010 -1.173 1.00 0.00 N ATOM 1012 CA ALA A 64 86.496 2.154 -2.276 1.00 0.00 C ATOM 1013 C ALA A 64 85.830 0.782 -2.213 1.00 0.00 C ATOM 1014 O ALA A 64 85.446 0.219 -3.217 1.00 0.00 O ATOM 1015 CB ALA A 64 88.002 2.039 -2.038 1.00 0.00 C ATOM 0 H ALA A 64 86.690 3.286 -0.483 1.00 0.00 H new ATOM 0 HA ALA A 64 86.278 2.570 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.447 1.419 -2.816 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.451 3.032 -2.064 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.183 1.584 -1.064 1.00 0.00 H new ATOM 1021 N ASP A 65 85.672 0.245 -1.034 1.00 0.00 N ATOM 1022 CA ASP A 65 85.012 -1.081 -0.910 1.00 0.00 C ATOM 1023 C ASP A 65 83.547 -0.941 -1.313 1.00 0.00 C ATOM 1024 O ASP A 65 83.044 -1.670 -2.145 1.00 0.00 O ATOM 1025 CB ASP A 65 85.135 -1.456 0.568 1.00 0.00 C ATOM 1026 CG ASP A 65 86.481 -2.142 0.810 1.00 0.00 C ATOM 1027 OD1 ASP A 65 86.882 -2.928 -0.032 1.00 0.00 O ATOM 1028 OD2 ASP A 65 87.086 -1.870 1.833 1.00 0.00 O ATOM 0 H ASP A 65 85.971 0.667 -0.155 1.00 0.00 H new ATOM 0 HA ASP A 65 85.461 -1.842 -1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.053 -0.564 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.320 -2.120 0.855 1.00 0.00 H new ATOM 1033 N ALA A 66 82.865 0.009 -0.737 1.00 0.00 N ATOM 1034 CA ALA A 66 81.434 0.220 -1.091 1.00 0.00 C ATOM 1035 C ALA A 66 81.319 0.649 -2.556 1.00 0.00 C ATOM 1036 O ALA A 66 80.423 0.236 -3.265 1.00 0.00 O ATOM 1037 CB ALA A 66 80.960 1.340 -0.164 1.00 0.00 C ATOM 0 H ALA A 66 83.237 0.649 -0.036 1.00 0.00 H new ATOM 0 HA ALA A 66 80.836 -0.684 -0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.910 1.557 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.076 1.027 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.555 2.236 -0.342 1.00 0.00 H new ATOM 1043 N GLU A 67 82.225 1.470 -3.017 1.00 0.00 N ATOM 1044 CA GLU A 67 82.168 1.920 -4.434 1.00 0.00 C ATOM 1045 C GLU A 67 82.637 0.795 -5.359 1.00 0.00 C ATOM 1046 O GLU A 67 82.018 0.503 -6.366 1.00 0.00 O ATOM 1047 CB GLU A 67 83.124 3.110 -4.511 1.00 0.00 C ATOM 1048 CG GLU A 67 83.141 3.659 -5.939 1.00 0.00 C ATOM 1049 CD GLU A 67 82.353 4.969 -5.993 1.00 0.00 C ATOM 1050 OE1 GLU A 67 81.136 4.903 -6.051 1.00 0.00 O ATOM 1051 OE2 GLU A 67 82.980 6.015 -5.974 1.00 0.00 O ATOM 0 H GLU A 67 83.001 1.847 -2.472 1.00 0.00 H new ATOM 0 HA GLU A 67 81.158 2.190 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.810 3.888 -3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.128 2.804 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.168 3.827 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.705 2.932 -6.624 1.00 0.00 H new ATOM 1058 N LYS A 68 83.723 0.154 -5.021 1.00 0.00 N ATOM 1059 CA LYS A 68 84.227 -0.955 -5.874 1.00 0.00 C ATOM 1060 C LYS A 68 83.164 -2.044 -5.974 1.00 0.00 C ATOM 1061 O LYS A 68 82.940 -2.612 -7.023 1.00 0.00 O ATOM 1062 CB LYS A 68 85.474 -1.478 -5.160 1.00 0.00 C ATOM 1063 CG LYS A 68 86.152 -2.541 -6.026 1.00 0.00 C ATOM 1064 CD LYS A 68 85.590 -3.919 -5.675 1.00 0.00 C ATOM 1065 CE LYS A 68 86.744 -4.886 -5.396 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.029 -5.532 -6.708 1.00 0.00 N ATOM 0 H LYS A 68 84.282 0.352 -4.191 1.00 0.00 H new ATOM 0 HA LYS A 68 84.457 -0.632 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.165 -0.658 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.201 -1.901 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.985 -2.326 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 68 87.230 -2.524 -5.864 1.00 0.00 H new ATOM 0 HD2 LYS A 68 84.942 -3.847 -4.801 1.00 0.00 H new ATOM 0 HD3 LYS A 68 84.978 -4.294 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.619 -4.358 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.467 -5.625 -4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 88.005 -5.891 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 86.369 -6.322 -6.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 86.912 -4.835 -7.471 1.00 0.00 H new ATOM 1080 N ASN A 69 82.498 -2.330 -4.890 1.00 0.00 N ATOM 1081 CA ASN A 69 81.438 -3.373 -4.924 1.00 0.00 C ATOM 1082 C ASN A 69 80.226 -2.839 -5.683 1.00 0.00 C ATOM 1083 O ASN A 69 79.745 -3.447 -6.623 1.00 0.00 O ATOM 1084 CB ASN A 69 81.088 -3.628 -3.459 1.00 0.00 C ATOM 1085 CG ASN A 69 81.774 -4.910 -2.988 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.149 -5.766 -2.396 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.045 -5.079 -3.231 1.00 0.00 N ATOM 0 H ASN A 69 82.643 -1.886 -3.983 1.00 0.00 H new ATOM 0 HA ASN A 69 81.759 -4.286 -5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.407 -2.785 -2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.008 -3.716 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.514 -5.931 -2.923 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.569 -4.359 -3.728 1.00 0.00 H new ATOM 1094 N LEU A 70 79.736 -1.696 -5.289 1.00 0.00 N ATOM 1095 CA LEU A 70 78.562 -1.110 -5.992 1.00 0.00 C ATOM 1096 C LEU A 70 78.798 -1.146 -7.500 1.00 0.00 C ATOM 1097 O LEU A 70 77.913 -1.449 -8.272 1.00 0.00 O ATOM 1098 CB LEU A 70 78.475 0.331 -5.491 1.00 0.00 C ATOM 1099 CG LEU A 70 77.394 1.080 -6.273 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.557 1.923 -5.310 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.056 1.995 -7.305 1.00 0.00 C ATOM 0 H LEU A 70 80.098 -1.144 -4.512 1.00 0.00 H new ATOM 0 HA LEU A 70 77.640 -1.657 -5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.243 0.343 -4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.437 0.828 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 70 76.750 0.362 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.787 2.456 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.086 1.273 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.200 2.642 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.288 2.530 -7.863 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.700 2.712 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.653 1.396 -7.992 1.00 0.00 H new ATOM 1113 N GLU A 71 79.993 -0.847 -7.921 1.00 0.00 N ATOM 1114 CA GLU A 71 80.296 -0.871 -9.380 1.00 0.00 C ATOM 1115 C GLU A 71 80.713 -2.282 -9.808 1.00 0.00 C ATOM 1116 O GLU A 71 80.441 -2.712 -10.911 1.00 0.00 O ATOM 1117 CB GLU A 71 81.456 0.109 -9.561 1.00 0.00 C ATOM 1118 CG GLU A 71 81.134 1.077 -10.701 1.00 0.00 C ATOM 1119 CD GLU A 71 81.531 0.445 -12.036 1.00 0.00 C ATOM 1120 OE1 GLU A 71 82.680 0.594 -12.421 1.00 0.00 O ATOM 1121 OE2 GLU A 71 80.681 -0.177 -12.652 1.00 0.00 O ATOM 0 H GLU A 71 80.774 -0.587 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 71 79.433 -0.596 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.626 0.662 -8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 71 82.375 -0.435 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.070 1.314 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.670 2.015 -10.557 1.00 0.00 H new ATOM 1128 N GLU A 72 81.378 -3.002 -8.945 1.00 0.00 N ATOM 1129 CA GLU A 72 81.818 -4.376 -9.303 1.00 0.00 C ATOM 1130 C GLU A 72 80.620 -5.251 -9.681 1.00 0.00 C ATOM 1131 O GLU A 72 80.702 -6.069 -10.576 1.00 0.00 O ATOM 1132 CB GLU A 72 82.500 -4.920 -8.047 1.00 0.00 C ATOM 1133 CG GLU A 72 82.719 -6.427 -8.194 1.00 0.00 C ATOM 1134 CD GLU A 72 84.214 -6.736 -8.114 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.886 -6.587 -9.122 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.664 -7.118 -7.046 1.00 0.00 O ATOM 0 H GLU A 72 81.635 -2.695 -8.007 1.00 0.00 H new ATOM 0 HA GLU A 72 82.486 -4.373 -10.164 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.455 -4.417 -7.892 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.886 -4.715 -7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.184 -6.961 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.316 -6.773 -9.146 1.00 0.00 H new ATOM 1143 N LYS A 73 79.508 -5.097 -9.011 1.00 0.00 N ATOM 1144 CA LYS A 73 78.324 -5.940 -9.356 1.00 0.00 C ATOM 1145 C LYS A 73 77.148 -5.072 -9.809 1.00 0.00 C ATOM 1146 O LYS A 73 76.711 -5.156 -10.939 1.00 0.00 O ATOM 1147 CB LYS A 73 77.958 -6.726 -8.083 1.00 0.00 C ATOM 1148 CG LYS A 73 78.425 -5.989 -6.820 1.00 0.00 C ATOM 1149 CD LYS A 73 79.904 -6.294 -6.572 1.00 0.00 C ATOM 1150 CE LYS A 73 80.028 -7.373 -5.494 1.00 0.00 C ATOM 1151 NZ LYS A 73 80.898 -8.421 -6.098 1.00 0.00 N ATOM 0 H LYS A 73 79.368 -4.433 -8.249 1.00 0.00 H new ATOM 0 HA LYS A 73 78.555 -6.613 -10.181 1.00 0.00 H new ATOM 0 HB2 LYS A 73 76.879 -6.874 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 73 78.415 -7.715 -8.120 1.00 0.00 H new ATOM 0 HG2 LYS A 73 78.278 -4.915 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.829 -6.301 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 73 80.377 -6.631 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 73 80.425 -5.390 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.469 -6.971 -4.582 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.052 -7.777 -5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 80.655 -9.349 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.753 -8.442 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 81.895 -8.205 -5.893 1.00 0.00 H new ATOM 1165 N GLN A 74 76.632 -4.250 -8.939 1.00 0.00 N ATOM 1166 CA GLN A 74 75.473 -3.382 -9.315 1.00 0.00 C ATOM 1167 C GLN A 74 74.490 -4.166 -10.191 1.00 0.00 C ATOM 1168 O GLN A 74 74.629 -4.223 -11.397 1.00 0.00 O ATOM 1169 CB GLN A 74 76.078 -2.218 -10.101 1.00 0.00 C ATOM 1170 CG GLN A 74 75.590 -0.894 -9.506 1.00 0.00 C ATOM 1171 CD GLN A 74 74.062 -0.852 -9.531 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.409 -1.782 -9.100 1.00 0.00 O ATOM 1173 NE2 GLN A 74 73.458 0.195 -10.022 1.00 0.00 N ATOM 0 H GLN A 74 76.961 -4.139 -7.980 1.00 0.00 H new ATOM 0 HA GLN A 74 74.920 -3.036 -8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 74 77.166 -2.267 -10.064 1.00 0.00 H new ATOM 0 HB3 GLN A 74 75.791 -2.285 -11.150 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.950 -0.789 -8.482 1.00 0.00 H new ATOM 0 HG3 GLN A 74 75.996 -0.057 -10.074 1.00 0.00 H new ATOM 0 HE21 GLN A 74 74.005 0.976 -10.384 1.00 0.00 H new ATOM 0 HE22 GLN A 74 72.439 0.232 -10.044 1.00 0.00 H new ATOM 1182 N GLY A 75 73.504 -4.781 -9.597 1.00 0.00 N ATOM 1183 CA GLY A 75 72.528 -5.568 -10.401 1.00 0.00 C ATOM 1184 C GLY A 75 72.569 -7.023 -9.935 1.00 0.00 C ATOM 1185 O GLY A 75 71.546 -7.661 -9.808 1.00 0.00 O ATOM 0 H GLY A 75 73.333 -4.772 -8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.524 -5.161 -10.281 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.773 -5.504 -11.461 1.00 0.00 H new ATOM 1189 N ALA A 76 73.755 -7.529 -9.679 1.00 0.00 N ATOM 1190 CA ALA A 76 73.939 -8.940 -9.203 1.00 0.00 C ATOM 1191 C ALA A 76 72.665 -9.772 -9.353 1.00 0.00 C ATOM 1192 O ALA A 76 71.732 -9.642 -8.587 1.00 0.00 O ATOM 1193 CB ALA A 76 74.311 -8.807 -7.726 1.00 0.00 C ATOM 0 H ALA A 76 74.626 -7.008 -9.783 1.00 0.00 H new ATOM 0 HA ALA A 76 74.699 -9.455 -9.790 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.464 -9.798 -7.299 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.229 -8.226 -7.633 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.506 -8.302 -7.192 1.00 0.00 H new ATOM 1199 N GLU A 77 72.622 -10.627 -10.331 1.00 0.00 N ATOM 1200 CA GLU A 77 71.411 -11.475 -10.523 1.00 0.00 C ATOM 1201 C GLU A 77 71.263 -12.439 -9.341 1.00 0.00 C ATOM 1202 O GLU A 77 71.906 -13.468 -9.284 1.00 0.00 O ATOM 1203 CB GLU A 77 71.666 -12.246 -11.820 1.00 0.00 C ATOM 1204 CG GLU A 77 71.372 -11.340 -13.017 1.00 0.00 C ATOM 1205 CD GLU A 77 71.981 -11.950 -14.280 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.996 -12.616 -14.163 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.421 -11.741 -15.345 1.00 0.00 O ATOM 0 H GLU A 77 73.371 -10.778 -11.007 1.00 0.00 H new ATOM 0 HA GLU A 77 70.494 -10.889 -10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.700 -12.589 -11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 77 71.035 -13.134 -11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.296 -11.221 -13.141 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.785 -10.346 -12.845 1.00 0.00 H new ATOM 1214 N ILE A 78 70.425 -12.110 -8.395 1.00 0.00 N ATOM 1215 CA ILE A 78 70.243 -13.005 -7.216 1.00 0.00 C ATOM 1216 C ILE A 78 68.769 -13.049 -6.819 1.00 0.00 C ATOM 1217 O ILE A 78 67.949 -12.344 -7.372 1.00 0.00 O ATOM 1218 CB ILE A 78 71.061 -12.367 -6.094 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.422 -11.914 -6.629 1.00 0.00 C ATOM 1220 CG2 ILE A 78 71.272 -13.387 -4.974 1.00 0.00 C ATOM 1221 CD1 ILE A 78 73.294 -13.136 -6.912 1.00 0.00 C ATOM 0 H ILE A 78 69.859 -11.261 -8.388 1.00 0.00 H new ATOM 0 HA ILE A 78 70.561 -14.026 -7.426 1.00 0.00 H new ATOM 0 HB ILE A 78 70.522 -11.502 -5.708 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.290 -11.330 -7.540 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.912 -11.265 -5.903 1.00 0.00 H new ATOM 0 HG21 ILE A 78 71.855 -12.933 -4.173 1.00 0.00 H new ATOM 0 HG22 ILE A 78 70.305 -13.704 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 78 71.806 -14.252 -5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 78 74.262 -12.812 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 78 73.437 -13.702 -5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.805 -13.768 -7.654 1.00 0.00 H new ATOM 1233 N ASP A 79 68.433 -13.866 -5.859 1.00 0.00 N ATOM 1234 CA ASP A 79 67.012 -13.952 -5.416 1.00 0.00 C ATOM 1235 C ASP A 79 66.079 -13.893 -6.628 1.00 0.00 C ATOM 1236 O ASP A 79 65.077 -13.206 -6.619 1.00 0.00 O ATOM 1237 CB ASP A 79 66.806 -12.734 -4.516 1.00 0.00 C ATOM 1238 CG ASP A 79 66.004 -13.146 -3.281 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.787 -13.157 -3.365 1.00 0.00 O ATOM 1240 OD2 ASP A 79 66.621 -13.447 -2.272 1.00 0.00 O ATOM 0 H ASP A 79 69.080 -14.478 -5.362 1.00 0.00 H new ATOM 0 HA ASP A 79 66.794 -14.884 -4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 79 67.770 -12.322 -4.217 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.279 -11.950 -5.061 1.00 0.00 H new ATOM 1245 N GLY A 80 66.404 -14.604 -7.672 1.00 0.00 N ATOM 1246 CA GLY A 80 65.544 -14.585 -8.882 1.00 0.00 C ATOM 1247 C GLY A 80 65.349 -13.140 -9.345 1.00 0.00 C ATOM 1248 O GLY A 80 64.296 -12.768 -9.822 1.00 0.00 O ATOM 0 H GLY A 80 67.231 -15.198 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.002 -15.174 -9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.579 -15.042 -8.663 1.00 0.00 H new ATOM 1252 N ARG A 81 66.358 -12.321 -9.209 1.00 0.00 N ATOM 1253 CA ARG A 81 66.229 -10.901 -9.643 1.00 0.00 C ATOM 1254 C ARG A 81 67.580 -10.193 -9.523 1.00 0.00 C ATOM 1255 O ARG A 81 68.511 -10.708 -8.937 1.00 0.00 O ATOM 1256 CB ARG A 81 65.211 -10.283 -8.684 1.00 0.00 C ATOM 1257 CG ARG A 81 65.848 -10.107 -7.304 1.00 0.00 C ATOM 1258 CD ARG A 81 64.764 -9.758 -6.283 1.00 0.00 C ATOM 1259 NE ARG A 81 63.832 -10.921 -6.301 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.695 -10.836 -6.935 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.838 -9.905 -6.617 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.415 -11.682 -7.887 1.00 0.00 N ATOM 0 H ARG A 81 67.265 -12.574 -8.816 1.00 0.00 H new ATOM 0 HA ARG A 81 65.912 -10.812 -10.682 1.00 0.00 H new ATOM 0 HB2 ARG A 81 64.875 -9.319 -9.066 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.331 -10.922 -8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 81 66.360 -11.023 -7.008 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.600 -9.318 -7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 81 65.189 -9.608 -5.291 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.250 -8.835 -6.552 1.00 0.00 H new ATOM 0 HE ARG A 81 64.083 -11.783 -5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 81 62.057 -9.243 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.949 -9.839 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 81 63.085 -12.410 -8.136 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.526 -11.616 -8.383 1.00 0.00 H new ATOM 1276 N SER A 82 67.698 -9.020 -10.079 1.00 0.00 N ATOM 1277 CA SER A 82 68.991 -8.290 -10.001 1.00 0.00 C ATOM 1278 C SER A 82 69.001 -7.335 -8.805 1.00 0.00 C ATOM 1279 O SER A 82 68.112 -6.524 -8.635 1.00 0.00 O ATOM 1280 CB SER A 82 69.078 -7.507 -11.307 1.00 0.00 C ATOM 1281 OG SER A 82 67.774 -7.362 -11.856 1.00 0.00 O ATOM 0 H SER A 82 66.955 -8.536 -10.583 1.00 0.00 H new ATOM 0 HA SER A 82 69.835 -8.967 -9.868 1.00 0.00 H new ATOM 0 HB2 SER A 82 69.521 -6.527 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 82 69.727 -8.026 -12.013 1.00 0.00 H new ATOM 0 HG SER A 82 67.826 -6.858 -12.695 1.00 0.00 H new ATOM 1287 N VAL A 83 70.012 -7.417 -7.986 1.00 0.00 N ATOM 1288 CA VAL A 83 70.100 -6.511 -6.809 1.00 0.00 C ATOM 1289 C VAL A 83 70.839 -5.229 -7.208 1.00 0.00 C ATOM 1290 O VAL A 83 71.981 -5.262 -7.620 1.00 0.00 O ATOM 1291 CB VAL A 83 70.884 -7.306 -5.760 1.00 0.00 C ATOM 1292 CG1 VAL A 83 72.371 -7.306 -6.116 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.688 -6.668 -4.384 1.00 0.00 C ATOM 0 H VAL A 83 70.784 -8.076 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 83 69.125 -6.207 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 83 70.519 -8.333 -5.740 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.924 -7.873 -5.367 1.00 0.00 H new ATOM 0 HG12 VAL A 83 72.511 -7.765 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.739 -6.280 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 83 71.246 -7.234 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 83 71.050 -5.640 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.629 -6.675 -4.127 1.00 0.00 H new ATOM 1303 N SER A 84 70.190 -4.100 -7.105 1.00 0.00 N ATOM 1304 CA SER A 84 70.852 -2.822 -7.499 1.00 0.00 C ATOM 1305 C SER A 84 71.422 -2.109 -6.271 1.00 0.00 C ATOM 1306 O SER A 84 70.971 -2.304 -5.160 1.00 0.00 O ATOM 1307 CB SER A 84 69.745 -1.986 -8.138 1.00 0.00 C ATOM 1308 OG SER A 84 69.490 -2.469 -9.451 1.00 0.00 O ATOM 0 H SER A 84 69.232 -4.007 -6.766 1.00 0.00 H new ATOM 0 HA SER A 84 71.687 -2.987 -8.179 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.838 -2.041 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 84 70.040 -0.937 -8.175 1.00 0.00 H new ATOM 0 HG SER A 84 68.779 -1.936 -9.863 1.00 0.00 H new ATOM 1314 N LEU A 85 72.413 -1.283 -6.468 1.00 0.00 N ATOM 1315 CA LEU A 85 73.018 -0.554 -5.320 1.00 0.00 C ATOM 1316 C LEU A 85 72.783 0.951 -5.463 1.00 0.00 C ATOM 1317 O LEU A 85 73.077 1.540 -6.486 1.00 0.00 O ATOM 1318 CB LEU A 85 74.512 -0.867 -5.399 1.00 0.00 C ATOM 1319 CG LEU A 85 74.772 -2.264 -4.837 1.00 0.00 C ATOM 1320 CD1 LEU A 85 74.337 -2.312 -3.371 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.975 -3.293 -5.641 1.00 0.00 C ATOM 0 H LEU A 85 72.830 -1.082 -7.377 1.00 0.00 H new ATOM 0 HA LEU A 85 72.584 -0.855 -4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.852 -0.811 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.080 -0.126 -4.836 1.00 0.00 H new ATOM 0 HG LEU A 85 75.835 -2.493 -4.908 1.00 0.00 H new ATOM 0 HD11 LEU A 85 74.522 -3.308 -2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 85 74.905 -1.579 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 85 73.274 -2.084 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.160 -4.290 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 85 72.911 -3.065 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 85 74.285 -3.258 -6.685 1.00 0.00 H new ATOM 1333 N TYR A 86 72.265 1.581 -4.446 1.00 0.00 N ATOM 1334 CA TYR A 86 72.024 3.048 -4.524 1.00 0.00 C ATOM 1335 C TYR A 86 72.987 3.773 -3.589 1.00 0.00 C ATOM 1336 O TYR A 86 72.734 3.922 -2.410 1.00 0.00 O ATOM 1337 CB TYR A 86 70.587 3.254 -4.060 1.00 0.00 C ATOM 1338 CG TYR A 86 69.634 2.922 -5.181 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.705 1.678 -5.819 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.675 3.860 -5.581 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.818 1.373 -6.857 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.787 3.554 -6.618 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.859 2.311 -7.257 1.00 0.00 C ATOM 1344 OH TYR A 86 66.984 2.010 -8.281 1.00 0.00 O ATOM 0 H TYR A 86 71.998 1.143 -3.564 1.00 0.00 H new ATOM 0 HA TYR A 86 72.179 3.437 -5.530 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.380 2.622 -3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.443 4.286 -3.742 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.444 0.954 -5.510 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.621 4.820 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.873 0.414 -7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.046 4.277 -6.925 1.00 0.00 H new ATOM 0 HH TYR A 86 66.383 2.769 -8.432 1.00 0.00 H new ATOM 1354 N TYR A 87 74.095 4.211 -4.106 1.00 0.00 N ATOM 1355 CA TYR A 87 75.089 4.919 -3.258 1.00 0.00 C ATOM 1356 C TYR A 87 74.409 5.999 -2.421 1.00 0.00 C ATOM 1357 O TYR A 87 73.210 6.186 -2.469 1.00 0.00 O ATOM 1358 CB TYR A 87 76.069 5.556 -4.240 1.00 0.00 C ATOM 1359 CG TYR A 87 77.373 5.858 -3.542 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.078 4.834 -2.898 1.00 0.00 C ATOM 1361 CD2 TYR A 87 77.882 7.162 -3.547 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.292 5.113 -2.259 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.095 7.442 -2.907 1.00 0.00 C ATOM 1364 CZ TYR A 87 79.800 6.418 -2.263 1.00 0.00 C ATOM 1365 OH TYR A 87 80.998 6.694 -1.636 1.00 0.00 O ATOM 0 H TYR A 87 74.358 4.109 -5.086 1.00 0.00 H new ATOM 0 HA TYR A 87 75.583 4.241 -2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.243 4.884 -5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 87 75.644 6.473 -4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.685 3.828 -2.894 1.00 0.00 H new ATOM 0 HD2 TYR A 87 77.339 7.952 -4.045 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.836 4.323 -1.763 1.00 0.00 H new ATOM 0 HE2 TYR A 87 79.487 8.448 -2.910 1.00 0.00 H new ATOM 0 HH TYR A 87 81.398 5.860 -1.313 1.00 0.00 H new ATOM 1375 N THR A 88 75.178 6.715 -1.660 1.00 0.00 N ATOM 1376 CA THR A 88 74.597 7.797 -0.811 1.00 0.00 C ATOM 1377 C THR A 88 75.711 8.643 -0.191 1.00 0.00 C ATOM 1378 O THR A 88 75.602 9.108 0.925 1.00 0.00 O ATOM 1379 CB THR A 88 73.806 7.067 0.276 1.00 0.00 C ATOM 1380 OG1 THR A 88 73.029 8.008 1.005 1.00 0.00 O ATOM 1381 CG2 THR A 88 74.772 6.357 1.225 1.00 0.00 C ATOM 0 H THR A 88 76.189 6.602 -1.585 1.00 0.00 H new ATOM 0 HA THR A 88 73.968 8.477 -1.385 1.00 0.00 H new ATOM 0 HB THR A 88 73.149 6.330 -0.186 1.00 0.00 H new ATOM 0 HG1 THR A 88 73.574 8.798 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 88 74.206 5.838 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 88 75.368 5.636 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 88 75.432 7.091 1.689 1.00 0.00 H new