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 Single : A 18 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.49) USER MOD Single : A 25 SER OG : rot -167:sc= 1.15 USER MOD Single : A 27 ASN : amide:sc= -0.0473 K(o=-0.047,f=-1.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0292 USER MOD Single : A 34 LYS NZ :NH3+ 139:sc= -0.186 (180deg=-0.788) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 160:sc= 0 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 -53:sc= -0.338! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.946 K(o=-0.95,f=-4.2!) USER MOD Single : A 73 LYS NZ :NH3+ 174:sc= -0.833 (180deg=-0.966) USER MOD Single : A 74 GLN : amide:sc= -7.5! C(o=-7.5!,f=-20!) USER MOD Single : A 82 SER OG : rot -96:sc= 0.372 USER MOD Single : A 84 SER OG : rot 180:sc=-0.00398 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -18:sc= -1.16! USER MOD Single : A 88 THR OG1 : rot 70:sc= 0.453 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 80.410 8.783 3.706 1.00 0.00 N ATOM 229 CA ALA A 15 79.208 8.282 2.990 1.00 0.00 C ATOM 230 C ALA A 15 79.618 7.598 1.683 1.00 0.00 C ATOM 231 O ALA A 15 78.846 6.880 1.078 1.00 0.00 O ATOM 232 CB ALA A 15 78.368 9.527 2.702 1.00 0.00 C ATOM 0 HA ALA A 15 78.657 7.546 3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.460 9.239 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.102 10.012 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.942 10.219 2.086 1.00 0.00 H new ATOM 238 N ALA A 16 80.827 7.815 1.244 1.00 0.00 N ATOM 239 CA ALA A 16 81.286 7.179 -0.026 1.00 0.00 C ATOM 240 C ALA A 16 81.474 5.673 0.172 1.00 0.00 C ATOM 241 O ALA A 16 81.461 4.909 -0.772 1.00 0.00 O ATOM 242 CB ALA A 16 82.622 7.850 -0.343 1.00 0.00 C ATOM 0 H ALA A 16 81.518 8.405 1.708 1.00 0.00 H new ATOM 0 HA ALA A 16 80.565 7.303 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 16 83.027 7.436 -1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.471 8.923 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.322 7.670 0.473 1.00 0.00 H new ATOM 248 N ARG A 17 81.649 5.241 1.390 1.00 0.00 N ATOM 249 CA ARG A 17 81.835 3.782 1.639 1.00 0.00 C ATOM 250 C ARG A 17 80.504 3.142 2.039 1.00 0.00 C ATOM 251 O ARG A 17 80.468 2.115 2.686 1.00 0.00 O ATOM 252 CB ARG A 17 82.837 3.700 2.790 1.00 0.00 C ATOM 253 CG ARG A 17 82.306 4.488 3.989 1.00 0.00 C ATOM 254 CD ARG A 17 83.286 5.610 4.335 1.00 0.00 C ATOM 255 NE ARG A 17 83.316 5.648 5.824 1.00 0.00 N ATOM 256 CZ ARG A 17 84.216 4.965 6.476 1.00 0.00 C ATOM 257 NH1 ARG A 17 84.592 3.794 6.037 1.00 0.00 N ATOM 258 NH2 ARG A 17 84.741 5.452 7.566 1.00 0.00 N ATOM 0 H ARG A 17 81.671 5.832 2.221 1.00 0.00 H new ATOM 0 HA ARG A 17 82.189 3.253 0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.001 2.659 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.801 4.101 2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.326 4.905 3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.178 3.826 4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 17 84.276 5.410 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.957 6.563 3.922 1.00 0.00 H new ATOM 0 HE ARG A 17 82.633 6.208 6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 17 84.182 3.413 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.296 3.260 6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 17 84.448 6.367 7.909 1.00 0.00 H new ATOM 0 HH22 ARG A 17 85.445 4.918 8.076 1.00 0.00 H new ATOM 272 N THR A 18 79.408 3.741 1.657 1.00 0.00 N ATOM 273 CA THR A 18 78.080 3.163 2.016 1.00 0.00 C ATOM 274 C THR A 18 77.082 3.380 0.876 1.00 0.00 C ATOM 275 O THR A 18 77.045 4.428 0.263 1.00 0.00 O ATOM 276 CB THR A 18 77.642 3.925 3.267 1.00 0.00 C ATOM 277 OG1 THR A 18 78.712 3.955 4.201 1.00 0.00 O ATOM 278 CG2 THR A 18 76.432 3.231 3.895 1.00 0.00 C ATOM 0 H THR A 18 79.374 4.603 1.113 1.00 0.00 H new ATOM 0 HA THR A 18 78.131 2.088 2.191 1.00 0.00 H new ATOM 0 HB THR A 18 77.370 4.944 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.433 4.445 5.003 1.00 0.00 H new ATOM 0 HG21 THR A 18 76.122 3.776 4.786 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.611 3.211 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.699 2.210 4.169 1.00 0.00 H new ATOM 286 N LEU A 19 76.272 2.398 0.587 1.00 0.00 N ATOM 287 CA LEU A 19 75.277 2.551 -0.514 1.00 0.00 C ATOM 288 C LEU A 19 73.958 1.871 -0.138 1.00 0.00 C ATOM 289 O LEU A 19 73.926 0.939 0.641 1.00 0.00 O ATOM 290 CB LEU A 19 75.912 1.866 -1.726 1.00 0.00 C ATOM 291 CG LEU A 19 76.266 0.421 -1.374 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.093 -0.494 -1.727 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.501 -0.007 -2.169 1.00 0.00 C ATOM 0 H LEU A 19 76.256 1.497 1.065 1.00 0.00 H new ATOM 0 HA LEU A 19 75.045 3.597 -0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.223 1.886 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.808 2.406 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 19 76.474 0.348 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.346 -1.524 -1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.211 -0.189 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 19 74.884 -0.422 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 19 77.755 -1.037 -1.920 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.290 0.067 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.338 0.644 -1.919 1.00 0.00 H new ATOM 305 N LEU A 20 72.869 2.336 -0.686 1.00 0.00 N ATOM 306 CA LEU A 20 71.545 1.723 -0.363 1.00 0.00 C ATOM 307 C LEU A 20 71.159 0.688 -1.424 1.00 0.00 C ATOM 308 O LEU A 20 71.119 0.981 -2.600 1.00 0.00 O ATOM 309 CB LEU A 20 70.557 2.889 -0.375 1.00 0.00 C ATOM 310 CG LEU A 20 69.272 2.480 0.346 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.374 2.856 1.825 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.082 3.207 -0.284 1.00 0.00 C ATOM 0 H LEU A 20 72.837 3.114 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 20 71.558 1.203 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.999 3.758 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.333 3.179 -1.402 1.00 0.00 H new ATOM 0 HG LEU A 20 69.131 1.403 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.458 2.564 2.339 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.222 2.339 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.515 3.933 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.165 2.916 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.223 4.284 -0.192 1.00 0.00 H new ATOM 0 HD23 LEU A 20 68.009 2.939 -1.338 1.00 0.00 H new ATOM 324 N ALA A 21 70.864 -0.518 -1.021 1.00 0.00 N ATOM 325 CA ALA A 21 70.473 -1.559 -2.013 1.00 0.00 C ATOM 326 C ALA A 21 68.987 -1.426 -2.353 1.00 0.00 C ATOM 327 O ALA A 21 68.183 -1.053 -1.522 1.00 0.00 O ATOM 328 CB ALA A 21 70.748 -2.893 -1.319 1.00 0.00 C ATOM 0 H ALA A 21 70.877 -0.827 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 21 71.024 -1.468 -2.949 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.484 -3.712 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.806 -2.959 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.150 -2.960 -0.410 1.00 0.00 H new ATOM 334 N LYS A 22 68.614 -1.723 -3.567 1.00 0.00 N ATOM 335 CA LYS A 22 67.178 -1.608 -3.952 1.00 0.00 C ATOM 336 C LYS A 22 66.825 -2.665 -5.001 1.00 0.00 C ATOM 337 O LYS A 22 67.663 -3.430 -5.435 1.00 0.00 O ATOM 338 CB LYS A 22 67.038 -0.205 -4.540 1.00 0.00 C ATOM 339 CG LYS A 22 66.707 0.788 -3.423 1.00 0.00 C ATOM 340 CD LYS A 22 66.694 2.209 -3.990 1.00 0.00 C ATOM 341 CE LYS A 22 65.443 2.405 -4.849 1.00 0.00 C ATOM 342 NZ LYS A 22 64.393 2.867 -3.899 1.00 0.00 N ATOM 0 H LYS A 22 69.239 -2.040 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 22 66.510 -1.765 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.963 0.086 -5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.253 -0.193 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.737 0.550 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 22 67.444 0.711 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 22 66.708 2.936 -3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 22 67.589 2.382 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 22 65.615 3.140 -5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.151 1.476 -5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.503 3.023 -4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.246 2.144 -3.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.696 3.756 -3.453 1.00 0.00 H new ATOM 356 N ASN A 23 65.588 -2.713 -5.411 1.00 0.00 N ATOM 357 CA ASN A 23 65.177 -3.720 -6.433 1.00 0.00 C ATOM 358 C ASN A 23 65.388 -5.138 -5.897 1.00 0.00 C ATOM 359 O ASN A 23 65.371 -6.100 -6.639 1.00 0.00 O ATOM 360 CB ASN A 23 66.086 -3.460 -7.635 1.00 0.00 C ATOM 361 CG ASN A 23 65.556 -4.221 -8.851 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.388 -4.137 -9.175 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.372 -4.970 -9.543 1.00 0.00 N ATOM 0 H ASN A 23 64.843 -2.099 -5.083 1.00 0.00 H new ATOM 0 HA ASN A 23 64.122 -3.634 -6.694 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.125 -2.392 -7.850 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.104 -3.778 -7.410 1.00 0.00 H new ATOM 0 HD21 ASN A 23 66.029 -5.484 -10.355 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.353 -5.041 -9.272 1.00 0.00 H new ATOM 370 N LEU A 24 65.582 -5.276 -4.615 1.00 0.00 N ATOM 371 CA LEU A 24 65.789 -6.635 -4.035 1.00 0.00 C ATOM 372 C LEU A 24 64.506 -7.460 -4.163 1.00 0.00 C ATOM 373 O LEU A 24 63.647 -7.167 -4.970 1.00 0.00 O ATOM 374 CB LEU A 24 66.127 -6.391 -2.563 1.00 0.00 C ATOM 375 CG LEU A 24 67.516 -5.760 -2.453 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.466 -4.576 -1.486 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.508 -6.801 -1.929 1.00 0.00 C ATOM 0 H LEU A 24 65.606 -4.509 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 24 66.577 -7.189 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.382 -5.735 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.099 -7.331 -2.012 1.00 0.00 H new ATOM 0 HG LEU A 24 67.835 -5.413 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.456 -4.127 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.759 -3.833 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.147 -4.922 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.498 -6.353 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.187 -7.147 -0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.546 -7.646 -2.617 1.00 0.00 H new ATOM 389 N SER A 25 64.368 -8.489 -3.373 1.00 0.00 N ATOM 390 CA SER A 25 63.139 -9.329 -3.452 1.00 0.00 C ATOM 391 C SER A 25 62.578 -9.570 -2.049 1.00 0.00 C ATOM 392 O SER A 25 63.151 -9.155 -1.061 1.00 0.00 O ATOM 393 CB SER A 25 63.597 -10.645 -4.081 1.00 0.00 C ATOM 394 OG SER A 25 62.458 -11.425 -4.418 1.00 0.00 O ATOM 0 H SER A 25 65.052 -8.785 -2.677 1.00 0.00 H new ATOM 0 HA SER A 25 62.349 -8.855 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.194 -10.448 -4.972 1.00 0.00 H new ATOM 0 HB3 SER A 25 64.234 -11.192 -3.386 1.00 0.00 H new ATOM 0 HG SER A 25 62.738 -12.342 -4.621 1.00 0.00 H new ATOM 400 N PHE A 26 61.461 -10.236 -1.952 1.00 0.00 N ATOM 401 CA PHE A 26 60.867 -10.501 -0.615 1.00 0.00 C ATOM 402 C PHE A 26 61.581 -11.678 0.054 1.00 0.00 C ATOM 403 O PHE A 26 61.484 -11.879 1.249 1.00 0.00 O ATOM 404 CB PHE A 26 59.409 -10.846 -0.906 1.00 0.00 C ATOM 405 CG PHE A 26 58.536 -9.649 -0.613 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.659 -8.489 -1.388 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.605 -9.698 0.430 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.850 -7.379 -1.120 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.795 -8.588 0.698 1.00 0.00 C ATOM 410 CZ PHE A 26 56.918 -7.429 -0.077 1.00 0.00 C ATOM 0 H PHE A 26 60.935 -10.608 -2.742 1.00 0.00 H new ATOM 0 HA PHE A 26 60.960 -9.653 0.063 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.297 -11.144 -1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.097 -11.694 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.378 -8.451 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 26 57.511 -10.592 1.028 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.945 -6.484 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.075 -8.626 1.502 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.293 -6.573 0.130 1.00 0.00 H new ATOM 420 N ASN A 27 62.302 -12.456 -0.708 1.00 0.00 N ATOM 421 CA ASN A 27 63.024 -13.616 -0.120 1.00 0.00 C ATOM 422 C ASN A 27 64.442 -13.202 0.281 1.00 0.00 C ATOM 423 O ASN A 27 64.944 -13.588 1.318 1.00 0.00 O ATOM 424 CB ASN A 27 63.064 -14.665 -1.233 1.00 0.00 C ATOM 425 CG ASN A 27 63.396 -16.033 -0.634 1.00 0.00 C ATOM 426 OD1 ASN A 27 63.781 -16.129 0.515 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.263 -17.104 -1.368 1.00 0.00 N ATOM 0 H ASN A 27 62.421 -12.336 -1.714 1.00 0.00 H new ATOM 0 HA ASN A 27 62.537 -13.996 0.778 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.103 -14.704 -1.745 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.811 -14.392 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 27 63.482 -18.020 -0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 27 62.940 -17.025 -2.332 1.00 0.00 H new ATOM 434 N ILE A 28 65.089 -12.413 -0.534 1.00 0.00 N ATOM 435 CA ILE A 28 66.472 -11.969 -0.201 1.00 0.00 C ATOM 436 C ILE A 28 66.530 -11.502 1.260 1.00 0.00 C ATOM 437 O ILE A 28 65.522 -11.409 1.931 1.00 0.00 O ATOM 438 CB ILE A 28 66.760 -10.824 -1.193 1.00 0.00 C ATOM 439 CG1 ILE A 28 67.807 -11.293 -2.202 1.00 0.00 C ATOM 440 CG2 ILE A 28 67.284 -9.576 -0.471 1.00 0.00 C ATOM 441 CD1 ILE A 28 67.157 -12.241 -3.210 1.00 0.00 C ATOM 0 H ILE A 28 64.719 -12.057 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 28 67.216 -12.761 -0.291 1.00 0.00 H new ATOM 0 HB ILE A 28 65.829 -10.562 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.238 -10.436 -2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.624 -11.798 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 28 67.477 -8.788 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 28 66.540 -9.232 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 28 68.208 -9.820 0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 28 67.904 -12.575 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 28 66.747 -13.104 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 28 66.356 -11.721 -3.735 1.00 0.00 H new ATOM 453 N THR A 29 67.703 -11.212 1.754 1.00 0.00 N ATOM 454 CA THR A 29 67.820 -10.755 3.171 1.00 0.00 C ATOM 455 C THR A 29 69.231 -10.235 3.452 1.00 0.00 C ATOM 456 O THR A 29 70.094 -10.253 2.594 1.00 0.00 O ATOM 457 CB THR A 29 67.541 -12.001 4.013 1.00 0.00 C ATOM 458 OG1 THR A 29 67.915 -13.158 3.278 1.00 0.00 O ATOM 459 CG2 THR A 29 66.053 -12.068 4.357 1.00 0.00 C ATOM 0 H THR A 29 68.583 -11.271 1.241 1.00 0.00 H new ATOM 0 HA THR A 29 67.130 -9.941 3.395 1.00 0.00 H new ATOM 0 HB THR A 29 68.119 -11.953 4.936 1.00 0.00 H new ATOM 0 HG1 THR A 29 67.739 -13.958 3.816 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.858 -12.957 4.957 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.770 -11.180 4.922 1.00 0.00 H new ATOM 0 HG23 THR A 29 65.469 -12.115 3.438 1.00 0.00 H new ATOM 467 N GLU A 30 69.478 -9.780 4.652 1.00 0.00 N ATOM 468 CA GLU A 30 70.837 -9.273 4.986 1.00 0.00 C ATOM 469 C GLU A 30 71.871 -10.343 4.653 1.00 0.00 C ATOM 470 O GLU A 30 72.922 -10.062 4.111 1.00 0.00 O ATOM 471 CB GLU A 30 70.806 -8.998 6.488 1.00 0.00 C ATOM 472 CG GLU A 30 71.365 -7.600 6.764 1.00 0.00 C ATOM 473 CD GLU A 30 70.416 -6.547 6.190 1.00 0.00 C ATOM 474 OE1 GLU A 30 69.524 -6.127 6.907 1.00 0.00 O ATOM 475 OE2 GLU A 30 70.597 -6.178 5.041 1.00 0.00 O ATOM 0 H GLU A 30 68.799 -9.738 5.412 1.00 0.00 H new ATOM 0 HA GLU A 30 71.102 -8.377 4.424 1.00 0.00 H new ATOM 0 HB2 GLU A 30 69.784 -9.073 6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.394 -9.747 7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 30 71.485 -7.450 7.837 1.00 0.00 H new ATOM 0 HG3 GLU A 30 72.353 -7.497 6.316 1.00 0.00 H new ATOM 482 N ASP A 31 71.572 -11.574 4.959 1.00 0.00 N ATOM 483 CA ASP A 31 72.529 -12.671 4.644 1.00 0.00 C ATOM 484 C ASP A 31 72.869 -12.623 3.157 1.00 0.00 C ATOM 485 O ASP A 31 74.014 -12.710 2.762 1.00 0.00 O ATOM 486 CB ASP A 31 71.788 -13.963 4.990 1.00 0.00 C ATOM 487 CG ASP A 31 72.779 -14.989 5.542 1.00 0.00 C ATOM 488 OD1 ASP A 31 73.615 -14.604 6.344 1.00 0.00 O ATOM 489 OD2 ASP A 31 72.686 -16.141 5.154 1.00 0.00 O ATOM 0 H ASP A 31 70.707 -11.868 5.413 1.00 0.00 H new ATOM 0 HA ASP A 31 73.464 -12.591 5.199 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.009 -13.762 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 31 71.294 -14.360 4.103 1.00 0.00 H new ATOM 494 N GLU A 32 71.874 -12.462 2.331 1.00 0.00 N ATOM 495 CA GLU A 32 72.125 -12.383 0.866 1.00 0.00 C ATOM 496 C GLU A 32 72.954 -11.137 0.565 1.00 0.00 C ATOM 497 O GLU A 32 73.896 -11.164 -0.207 1.00 0.00 O ATOM 498 CB GLU A 32 70.736 -12.278 0.234 1.00 0.00 C ATOM 499 CG GLU A 32 70.856 -12.383 -1.286 1.00 0.00 C ATOM 500 CD GLU A 32 70.779 -10.984 -1.902 1.00 0.00 C ATOM 501 OE1 GLU A 32 70.094 -10.148 -1.336 1.00 0.00 O ATOM 502 OE2 GLU A 32 71.403 -10.775 -2.928 1.00 0.00 O ATOM 0 H GLU A 32 70.896 -12.382 2.608 1.00 0.00 H new ATOM 0 HA GLU A 32 72.675 -13.241 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.092 -13.071 0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 32 70.271 -11.331 0.508 1.00 0.00 H new ATOM 0 HG2 GLU A 32 71.799 -12.859 -1.555 1.00 0.00 H new ATOM 0 HG3 GLU A 32 70.058 -13.011 -1.682 1.00 0.00 H new ATOM 509 N LEU A 33 72.624 -10.047 1.199 1.00 0.00 N ATOM 510 CA LEU A 33 73.400 -8.802 0.984 1.00 0.00 C ATOM 511 C LEU A 33 74.776 -8.994 1.601 1.00 0.00 C ATOM 512 O LEU A 33 75.764 -8.460 1.137 1.00 0.00 O ATOM 513 CB LEU A 33 72.622 -7.707 1.717 1.00 0.00 C ATOM 514 CG LEU A 33 71.258 -7.520 1.052 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.394 -6.595 1.911 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.448 -6.898 -0.332 1.00 0.00 C ATOM 0 H LEU A 33 71.849 -9.968 1.857 1.00 0.00 H new ATOM 0 HA LEU A 33 73.529 -8.546 -0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.494 -7.977 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.181 -6.772 1.695 1.00 0.00 H new ATOM 0 HG LEU A 33 70.767 -8.488 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.422 -6.462 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.259 -7.036 2.898 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.885 -5.627 2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.476 -6.764 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.939 -5.930 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.064 -7.556 -0.945 1.00 0.00 H new ATOM 528 N LYS A 34 74.843 -9.778 2.642 1.00 0.00 N ATOM 529 CA LYS A 34 76.151 -10.035 3.285 1.00 0.00 C ATOM 530 C LYS A 34 76.944 -11.003 2.415 1.00 0.00 C ATOM 531 O LYS A 34 78.158 -11.033 2.429 1.00 0.00 O ATOM 532 CB LYS A 34 75.824 -10.657 4.642 1.00 0.00 C ATOM 533 CG LYS A 34 76.179 -9.670 5.756 1.00 0.00 C ATOM 534 CD LYS A 34 77.616 -9.181 5.566 1.00 0.00 C ATOM 535 CE LYS A 34 78.365 -9.266 6.897 1.00 0.00 C ATOM 536 NZ LYS A 34 78.906 -7.897 7.123 1.00 0.00 N ATOM 0 H LYS A 34 74.046 -10.249 3.071 1.00 0.00 H new ATOM 0 HA LYS A 34 76.751 -9.133 3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 34 74.765 -10.912 4.691 1.00 0.00 H new ATOM 0 HB3 LYS A 34 76.381 -11.585 4.772 1.00 0.00 H new ATOM 0 HG2 LYS A 34 75.491 -8.825 5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 34 76.073 -10.150 6.729 1.00 0.00 H new ATOM 0 HD2 LYS A 34 78.121 -9.787 4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.616 -8.154 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.699 -9.566 7.706 1.00 0.00 H new ATOM 0 HE3 LYS A 34 79.166 -10.004 6.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.797 -7.642 8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.914 -7.876 6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.385 -7.216 6.534 1.00 0.00 H new ATOM 550 N GLU A 35 76.246 -11.782 1.643 1.00 0.00 N ATOM 551 CA GLU A 35 76.919 -12.748 0.739 1.00 0.00 C ATOM 552 C GLU A 35 77.399 -12.015 -0.511 1.00 0.00 C ATOM 553 O GLU A 35 78.450 -12.302 -1.051 1.00 0.00 O ATOM 554 CB GLU A 35 75.848 -13.780 0.385 1.00 0.00 C ATOM 555 CG GLU A 35 76.517 -15.080 -0.065 1.00 0.00 C ATOM 556 CD GLU A 35 76.206 -16.189 0.942 1.00 0.00 C ATOM 557 OE1 GLU A 35 75.045 -16.542 1.063 1.00 0.00 O ATOM 558 OE2 GLU A 35 77.134 -16.666 1.573 1.00 0.00 O ATOM 0 H GLU A 35 75.227 -11.790 1.600 1.00 0.00 H new ATOM 0 HA GLU A 35 77.789 -13.220 1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.210 -13.968 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.206 -13.396 -0.408 1.00 0.00 H new ATOM 0 HG2 GLU A 35 76.159 -15.362 -1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.595 -14.938 -0.145 1.00 0.00 H new ATOM 565 N VAL A 36 76.640 -11.055 -0.963 1.00 0.00 N ATOM 566 CA VAL A 36 77.053 -10.281 -2.165 1.00 0.00 C ATOM 567 C VAL A 36 78.018 -9.179 -1.737 1.00 0.00 C ATOM 568 O VAL A 36 78.990 -8.890 -2.407 1.00 0.00 O ATOM 569 CB VAL A 36 75.760 -9.680 -2.721 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.094 -8.544 -3.691 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.970 -10.762 -3.459 1.00 0.00 C ATOM 0 H VAL A 36 75.751 -10.774 -0.550 1.00 0.00 H new ATOM 0 HA VAL A 36 77.558 -10.894 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 36 75.162 -9.289 -1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.171 -8.119 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.655 -7.771 -3.166 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.694 -8.933 -4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.049 -10.334 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.570 -11.154 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.727 -11.570 -2.769 1.00 0.00 H new ATOM 581 N PHE A 37 77.747 -8.559 -0.622 1.00 0.00 N ATOM 582 CA PHE A 37 78.627 -7.476 -0.135 1.00 0.00 C ATOM 583 C PHE A 37 79.479 -7.969 1.039 1.00 0.00 C ATOM 584 O PHE A 37 79.768 -7.233 1.962 1.00 0.00 O ATOM 585 CB PHE A 37 77.653 -6.399 0.322 1.00 0.00 C ATOM 586 CG PHE A 37 76.745 -6.031 -0.826 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.274 -5.870 -2.110 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.373 -5.859 -0.607 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.433 -5.536 -3.177 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.531 -5.525 -1.673 1.00 0.00 C ATOM 591 CZ PHE A 37 75.061 -5.363 -2.959 1.00 0.00 C ATOM 0 H PHE A 37 76.944 -8.763 -0.026 1.00 0.00 H new ATOM 0 HA PHE A 37 79.325 -7.119 -0.892 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.064 -6.759 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.199 -5.520 0.666 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.332 -6.004 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 37 74.965 -5.984 0.385 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.842 -5.412 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.473 -5.392 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.412 -5.105 -3.782 1.00 0.00 H new ATOM 601 N GLU A 38 79.881 -9.211 1.012 1.00 0.00 N ATOM 602 CA GLU A 38 80.712 -9.751 2.128 1.00 0.00 C ATOM 603 C GLU A 38 81.948 -8.874 2.349 1.00 0.00 C ATOM 604 O GLU A 38 82.585 -8.933 3.381 1.00 0.00 O ATOM 605 CB GLU A 38 81.125 -11.152 1.673 1.00 0.00 C ATOM 606 CG GLU A 38 82.013 -11.044 0.433 1.00 0.00 C ATOM 607 CD GLU A 38 82.789 -12.349 0.245 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.629 -12.642 1.080 1.00 0.00 O ATOM 609 OE2 GLU A 38 82.528 -13.034 -0.731 1.00 0.00 O ATOM 0 H GLU A 38 79.671 -9.875 0.267 1.00 0.00 H new ATOM 0 HA GLU A 38 80.167 -9.771 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.660 -11.663 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 38 80.241 -11.749 1.449 1.00 0.00 H new ATOM 0 HG2 GLU A 38 81.403 -10.841 -0.447 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.705 -10.209 0.540 1.00 0.00 H new ATOM 616 N ASP A 39 82.293 -8.063 1.386 1.00 0.00 N ATOM 617 CA ASP A 39 83.490 -7.186 1.543 1.00 0.00 C ATOM 618 C ASP A 39 83.106 -5.879 2.238 1.00 0.00 C ATOM 619 O ASP A 39 83.935 -5.021 2.467 1.00 0.00 O ATOM 620 CB ASP A 39 83.972 -6.914 0.118 1.00 0.00 C ATOM 621 CG ASP A 39 85.490 -6.729 0.120 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.107 -7.058 1.121 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.012 -6.261 -0.879 1.00 0.00 O ATOM 0 H ASP A 39 81.799 -7.969 0.498 1.00 0.00 H new ATOM 0 HA ASP A 39 84.263 -7.652 2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.697 -7.742 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.487 -6.022 -0.277 1.00 0.00 H new ATOM 628 N ALA A 40 81.856 -5.716 2.575 1.00 0.00 N ATOM 629 CA ALA A 40 81.433 -4.459 3.253 1.00 0.00 C ATOM 630 C ALA A 40 81.460 -4.640 4.773 1.00 0.00 C ATOM 631 O ALA A 40 81.664 -5.728 5.275 1.00 0.00 O ATOM 632 CB ALA A 40 80.006 -4.205 2.767 1.00 0.00 C ATOM 0 H ALA A 40 81.113 -6.395 2.411 1.00 0.00 H new ATOM 0 HA ALA A 40 82.095 -3.625 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.623 -3.293 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.005 -4.096 1.682 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.371 -5.045 3.048 1.00 0.00 H new ATOM 638 N LEU A 41 81.253 -3.583 5.512 1.00 0.00 N ATOM 639 CA LEU A 41 81.263 -3.696 6.993 1.00 0.00 C ATOM 640 C LEU A 41 79.960 -4.327 7.475 1.00 0.00 C ATOM 641 O LEU A 41 79.953 -5.238 8.278 1.00 0.00 O ATOM 642 CB LEU A 41 81.367 -2.263 7.512 1.00 0.00 C ATOM 643 CG LEU A 41 82.530 -1.544 6.833 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.387 -0.037 7.051 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.848 -2.024 7.440 1.00 0.00 C ATOM 0 H LEU A 41 81.077 -2.646 5.150 1.00 0.00 H new ATOM 0 HA LEU A 41 82.085 -4.319 7.347 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.436 -1.729 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.513 -2.269 8.592 1.00 0.00 H new ATOM 0 HG LEU A 41 82.522 -1.761 5.765 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.216 0.481 6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.445 0.305 6.622 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.398 0.179 8.119 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.679 -1.511 6.956 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.858 -1.804 8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.948 -3.099 7.290 1.00 0.00 H new ATOM 657 N GLU A 42 78.856 -3.836 6.989 1.00 0.00 N ATOM 658 CA GLU A 42 77.541 -4.392 7.414 1.00 0.00 C ATOM 659 C GLU A 42 76.449 -3.988 6.425 1.00 0.00 C ATOM 660 O GLU A 42 76.640 -3.133 5.581 1.00 0.00 O ATOM 661 CB GLU A 42 77.274 -3.772 8.786 1.00 0.00 C ATOM 662 CG GLU A 42 77.956 -4.614 9.865 1.00 0.00 C ATOM 663 CD GLU A 42 76.986 -4.837 11.027 1.00 0.00 C ATOM 664 OE1 GLU A 42 75.817 -5.064 10.762 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.429 -4.777 12.162 1.00 0.00 O ATOM 0 H GLU A 42 78.806 -3.072 6.315 1.00 0.00 H new ATOM 0 HA GLU A 42 77.548 -5.481 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.651 -2.750 8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.201 -3.722 8.972 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.269 -5.572 9.450 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.856 -4.111 10.220 1.00 0.00 H new ATOM 672 N ILE A 43 75.306 -4.603 6.522 1.00 0.00 N ATOM 673 CA ILE A 43 74.199 -4.261 5.589 1.00 0.00 C ATOM 674 C ILE A 43 72.871 -4.174 6.338 1.00 0.00 C ATOM 675 O ILE A 43 72.617 -4.908 7.273 1.00 0.00 O ATOM 676 CB ILE A 43 74.166 -5.404 4.580 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.491 -5.439 3.817 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.012 -5.188 3.600 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.622 -6.771 3.080 1.00 0.00 C ATOM 0 H ILE A 43 75.090 -5.328 7.207 1.00 0.00 H new ATOM 0 HA ILE A 43 74.353 -3.294 5.111 1.00 0.00 H new ATOM 0 HB ILE A 43 74.021 -6.350 5.101 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.536 -4.613 3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.324 -5.311 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.989 -6.005 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.070 -5.161 4.148 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.153 -4.244 3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.567 -6.795 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.597 -7.589 3.800 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.796 -6.881 2.377 1.00 0.00 H new ATOM 691 N ARG A 44 72.025 -3.278 5.925 1.00 0.00 N ATOM 692 CA ARG A 44 70.706 -3.121 6.589 1.00 0.00 C ATOM 693 C ARG A 44 69.585 -3.383 5.579 1.00 0.00 C ATOM 694 O ARG A 44 69.814 -3.425 4.386 1.00 0.00 O ATOM 695 CB ARG A 44 70.692 -1.669 7.063 1.00 0.00 C ATOM 696 CG ARG A 44 70.969 -1.624 8.565 1.00 0.00 C ATOM 697 CD ARG A 44 69.779 -0.984 9.287 1.00 0.00 C ATOM 698 NE ARG A 44 70.370 -0.319 10.482 1.00 0.00 N ATOM 699 CZ ARG A 44 70.311 0.979 10.602 1.00 0.00 C ATOM 700 NH1 ARG A 44 71.042 1.740 9.833 1.00 0.00 N ATOM 701 NH2 ARG A 44 69.522 1.516 11.492 1.00 0.00 N ATOM 0 H ARG A 44 72.193 -2.640 5.147 1.00 0.00 H new ATOM 0 HA ARG A 44 70.554 -3.818 7.413 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.445 -1.092 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.726 -1.213 6.846 1.00 0.00 H new ATOM 0 HG2 ARG A 44 71.139 -2.632 8.944 1.00 0.00 H new ATOM 0 HG3 ARG A 44 71.876 -1.053 8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 44 69.268 -0.265 8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.042 -1.733 9.576 1.00 0.00 H new ATOM 0 HE ARG A 44 70.821 -0.878 11.206 1.00 0.00 H new ATOM 0 HH11 ARG A 44 71.659 1.320 9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 44 70.996 2.755 9.927 1.00 0.00 H new ATOM 0 HH21 ARG A 44 68.952 0.921 12.093 1.00 0.00 H new ATOM 0 HH22 ARG A 44 69.475 2.531 11.586 1.00 0.00 H new ATOM 715 N LEU A 45 68.380 -3.565 6.040 1.00 0.00 N ATOM 716 CA LEU A 45 67.257 -3.833 5.096 1.00 0.00 C ATOM 717 C LEU A 45 66.297 -2.644 5.056 1.00 0.00 C ATOM 718 O LEU A 45 66.328 -1.781 5.911 1.00 0.00 O ATOM 719 CB LEU A 45 66.554 -5.068 5.658 1.00 0.00 C ATOM 720 CG LEU A 45 65.553 -5.598 4.631 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.274 -5.872 3.310 1.00 0.00 C ATOM 722 CD2 LEU A 45 64.931 -6.897 5.151 1.00 0.00 C ATOM 0 H LEU A 45 68.123 -3.540 7.027 1.00 0.00 H new ATOM 0 HA LEU A 45 67.608 -3.989 4.076 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.287 -5.838 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 45 66.040 -4.816 6.586 1.00 0.00 H new ATOM 0 HG LEU A 45 64.770 -4.857 4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.561 -6.250 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.719 -4.948 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.057 -6.613 3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.217 -7.277 4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.715 -7.637 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 45 64.418 -6.703 6.093 1.00 0.00 H new ATOM 734 N VAL A 46 65.444 -2.592 4.071 1.00 0.00 N ATOM 735 CA VAL A 46 64.484 -1.458 3.980 1.00 0.00 C ATOM 736 C VAL A 46 63.245 -1.864 3.174 1.00 0.00 C ATOM 737 O VAL A 46 63.338 -2.369 2.062 1.00 0.00 O ATOM 738 CB VAL A 46 65.251 -0.340 3.277 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.317 0.846 3.041 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.423 0.098 4.158 1.00 0.00 C ATOM 0 H VAL A 46 65.371 -3.285 3.326 1.00 0.00 H new ATOM 0 HA VAL A 46 64.125 -1.146 4.961 1.00 0.00 H new ATOM 0 HB VAL A 46 65.629 -0.699 2.319 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.863 1.645 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.480 0.532 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.941 1.209 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.974 0.896 3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.044 0.460 5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.087 -0.750 4.328 1.00 0.00 H new ATOM 750 N SER A 47 62.086 -1.648 3.739 1.00 0.00 N ATOM 751 CA SER A 47 60.819 -2.012 3.045 1.00 0.00 C ATOM 752 C SER A 47 59.928 -0.778 2.887 1.00 0.00 C ATOM 753 O SER A 47 60.403 0.337 2.795 1.00 0.00 O ATOM 754 CB SER A 47 60.151 -3.034 3.963 1.00 0.00 C ATOM 755 OG SER A 47 61.120 -3.573 4.854 1.00 0.00 O ATOM 0 H SER A 47 61.964 -1.230 4.662 1.00 0.00 H new ATOM 0 HA SER A 47 60.995 -2.408 2.045 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.346 -2.562 4.526 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.701 -3.831 3.371 1.00 0.00 H new ATOM 0 HG SER A 47 60.693 -4.228 5.445 1.00 0.00 H new ATOM 819 N SER A 52 57.982 -5.804 3.105 1.00 0.00 N ATOM 820 CA SER A 52 59.229 -5.892 2.297 1.00 0.00 C ATOM 821 C SER A 52 59.087 -5.068 1.019 1.00 0.00 C ATOM 822 O SER A 52 58.128 -5.195 0.285 1.00 0.00 O ATOM 823 CB SER A 52 59.381 -7.370 1.964 1.00 0.00 C ATOM 824 OG SER A 52 60.755 -7.729 2.034 1.00 0.00 O ATOM 0 HA SER A 52 60.096 -5.504 2.832 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.800 -7.973 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.991 -7.572 0.966 1.00 0.00 H new ATOM 0 HG SER A 52 60.834 -8.700 2.141 1.00 0.00 H new ATOM 830 N LYS A 53 60.037 -4.224 0.751 1.00 0.00 N ATOM 831 CA LYS A 53 59.965 -3.386 -0.479 1.00 0.00 C ATOM 832 C LYS A 53 61.133 -3.733 -1.396 1.00 0.00 C ATOM 833 O LYS A 53 61.115 -3.458 -2.580 1.00 0.00 O ATOM 834 CB LYS A 53 60.074 -1.943 0.013 1.00 0.00 C ATOM 835 CG LYS A 53 59.686 -0.988 -1.117 1.00 0.00 C ATOM 836 CD LYS A 53 58.197 -1.150 -1.431 1.00 0.00 C ATOM 837 CE LYS A 53 58.032 -1.711 -2.844 1.00 0.00 C ATOM 838 NZ LYS A 53 56.634 -2.222 -2.893 1.00 0.00 N ATOM 0 H LYS A 53 60.864 -4.075 1.330 1.00 0.00 H new ATOM 0 HA LYS A 53 59.047 -3.546 -1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.421 -1.790 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.092 -1.737 0.345 1.00 0.00 H new ATOM 0 HG2 LYS A 53 59.898 0.041 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 53 60.281 -1.198 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 53 57.732 -1.818 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 53 57.690 -0.188 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.197 -0.940 -3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.751 -2.507 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 56.444 -2.624 -3.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 56.508 -2.959 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 55.972 -1.441 -2.710 1.00 0.00 H new ATOM 852 N GLY A 54 62.147 -4.345 -0.855 1.00 0.00 N ATOM 853 CA GLY A 54 63.318 -4.722 -1.687 1.00 0.00 C ATOM 854 C GLY A 54 64.434 -3.693 -1.506 1.00 0.00 C ATOM 855 O GLY A 54 65.284 -3.538 -2.360 1.00 0.00 O ATOM 0 H GLY A 54 62.214 -4.601 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.674 -5.712 -1.403 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.028 -4.777 -2.736 1.00 0.00 H new ATOM 859 N ILE A 55 64.451 -2.986 -0.406 1.00 0.00 N ATOM 860 CA ILE A 55 65.531 -1.982 -0.201 1.00 0.00 C ATOM 861 C ILE A 55 66.408 -2.401 0.980 1.00 0.00 C ATOM 862 O ILE A 55 66.010 -3.202 1.800 1.00 0.00 O ATOM 863 CB ILE A 55 64.804 -0.671 0.094 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.778 -0.400 -1.010 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.815 0.476 0.137 1.00 0.00 C ATOM 866 CD1 ILE A 55 62.781 0.658 -0.532 1.00 0.00 C ATOM 0 H ILE A 55 63.771 -3.060 0.350 1.00 0.00 H new ATOM 0 HA ILE A 55 66.187 -1.888 -1.066 1.00 0.00 H new ATOM 0 HB ILE A 55 64.297 -0.746 1.056 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.282 -0.058 -1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.253 -1.320 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.296 1.411 0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.549 0.285 0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.321 0.551 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.051 0.851 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.268 0.298 0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.313 1.580 -0.297 1.00 0.00 H new ATOM 878 N ALA A 56 67.597 -1.873 1.073 1.00 0.00 N ATOM 879 CA ALA A 56 68.487 -2.252 2.206 1.00 0.00 C ATOM 880 C ALA A 56 69.687 -1.307 2.266 1.00 0.00 C ATOM 881 O ALA A 56 70.142 -0.805 1.260 1.00 0.00 O ATOM 882 CB ALA A 56 68.942 -3.677 1.890 1.00 0.00 C ATOM 0 H ALA A 56 67.990 -1.198 0.416 1.00 0.00 H new ATOM 0 HA ALA A 56 67.983 -2.190 3.170 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.604 -4.031 2.680 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.072 -4.331 1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.475 -3.686 0.939 1.00 0.00 H new ATOM 888 N TYR A 57 70.207 -1.063 3.435 1.00 0.00 N ATOM 889 CA TYR A 57 71.382 -0.154 3.543 1.00 0.00 C ATOM 890 C TYR A 57 72.672 -0.973 3.481 1.00 0.00 C ATOM 891 O TYR A 57 72.729 -2.091 3.951 1.00 0.00 O ATOM 892 CB TYR A 57 71.235 0.530 4.903 1.00 0.00 C ATOM 893 CG TYR A 57 70.866 1.979 4.699 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.855 2.915 4.375 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.533 2.387 4.833 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.512 4.260 4.185 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.190 3.731 4.643 1.00 0.00 C ATOM 898 CZ TYR A 57 70.180 4.667 4.319 1.00 0.00 C ATOM 899 OH TYR A 57 69.842 5.991 4.132 1.00 0.00 O ATOM 0 H TYR A 57 69.872 -1.451 4.317 1.00 0.00 H new ATOM 0 HA TYR A 57 71.425 0.575 2.733 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.469 0.028 5.494 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.168 0.456 5.462 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.883 2.600 4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.770 1.665 5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.275 4.982 3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.162 4.046 4.746 1.00 0.00 H new ATOM 0 HH TYR A 57 68.877 6.104 4.261 1.00 0.00 H new ATOM 909 N ILE A 58 73.705 -0.439 2.896 1.00 0.00 N ATOM 910 CA ILE A 58 74.978 -1.207 2.804 1.00 0.00 C ATOM 911 C ILE A 58 76.170 -0.296 3.102 1.00 0.00 C ATOM 912 O ILE A 58 76.386 0.696 2.434 1.00 0.00 O ATOM 913 CB ILE A 58 75.026 -1.714 1.361 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.647 -2.255 0.966 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.065 -2.831 1.246 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.760 -3.092 -0.311 1.00 0.00 C ATOM 0 H ILE A 58 73.725 0.492 2.479 1.00 0.00 H new ATOM 0 HA ILE A 58 75.024 -2.024 3.524 1.00 0.00 H new ATOM 0 HB ILE A 58 75.300 -0.895 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.240 -2.863 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.954 -1.428 0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.099 -3.192 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.045 -2.447 1.528 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.792 -3.651 1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.776 -3.473 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.147 -2.472 -1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.438 -3.928 -0.139 1.00 0.00 H new ATOM 928 N GLU A 59 76.946 -0.624 4.099 1.00 0.00 N ATOM 929 CA GLU A 59 78.123 0.227 4.436 1.00 0.00 C ATOM 930 C GLU A 59 79.410 -0.578 4.254 1.00 0.00 C ATOM 931 O GLU A 59 79.675 -1.516 4.980 1.00 0.00 O ATOM 932 CB GLU A 59 77.945 0.649 5.907 1.00 0.00 C ATOM 933 CG GLU A 59 77.011 -0.315 6.653 1.00 0.00 C ATOM 934 CD GLU A 59 77.139 -0.083 8.160 1.00 0.00 C ATOM 935 OE1 GLU A 59 78.057 -0.630 8.749 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.315 0.638 8.700 1.00 0.00 O ATOM 0 H GLU A 59 76.816 -1.443 4.694 1.00 0.00 H new ATOM 0 HA GLU A 59 78.190 1.101 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.916 0.673 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.539 1.660 5.951 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.980 -0.158 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.266 -1.347 6.410 1.00 0.00 H new ATOM 943 N PHE A 60 80.210 -0.225 3.285 1.00 0.00 N ATOM 944 CA PHE A 60 81.474 -0.980 3.057 1.00 0.00 C ATOM 945 C PHE A 60 82.608 -0.389 3.891 1.00 0.00 C ATOM 946 O PHE A 60 82.444 0.606 4.569 1.00 0.00 O ATOM 947 CB PHE A 60 81.782 -0.830 1.567 1.00 0.00 C ATOM 948 CG PHE A 60 80.728 -1.543 0.753 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.440 -1.006 0.645 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.043 -2.744 0.104 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.467 -1.670 -0.112 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.070 -3.407 -0.652 1.00 0.00 C ATOM 953 CZ PHE A 60 78.781 -2.871 -0.760 1.00 0.00 C ATOM 0 H PHE A 60 80.044 0.551 2.644 1.00 0.00 H new ATOM 0 HA PHE A 60 81.373 -2.026 3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.811 0.226 1.297 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.766 -1.243 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.197 -0.080 1.145 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.037 -3.158 0.187 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.473 -1.255 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.313 -4.333 -1.152 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.030 -3.383 -1.343 1.00 0.00 H new ATOM 963 N LYS A 61 83.760 -0.994 3.839 1.00 0.00 N ATOM 964 CA LYS A 61 84.914 -0.475 4.626 1.00 0.00 C ATOM 965 C LYS A 61 85.485 0.778 3.959 1.00 0.00 C ATOM 966 O LYS A 61 86.160 1.573 4.583 1.00 0.00 O ATOM 967 CB LYS A 61 85.942 -1.606 4.615 1.00 0.00 C ATOM 968 CG LYS A 61 87.069 -1.280 5.597 1.00 0.00 C ATOM 969 CD LYS A 61 87.960 -2.510 5.777 1.00 0.00 C ATOM 970 CE LYS A 61 89.383 -2.181 5.319 1.00 0.00 C ATOM 971 NZ LYS A 61 90.113 -3.478 5.372 1.00 0.00 N ATOM 0 H LYS A 61 83.954 -1.828 3.284 1.00 0.00 H new ATOM 0 HA LYS A 61 84.631 -0.194 5.640 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.466 -2.547 4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.346 -1.735 3.611 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.659 -0.442 5.225 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.652 -0.976 6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 61 87.965 -2.819 6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 61 87.565 -3.346 5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.387 -1.766 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.846 -1.440 5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 91.098 -3.334 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 90.098 -3.845 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.653 -4.161 4.737 1.00 0.00 H new ATOM 985 N SER A 62 85.221 0.958 2.696 1.00 0.00 N ATOM 986 CA SER A 62 85.747 2.159 1.988 1.00 0.00 C ATOM 987 C SER A 62 85.014 2.358 0.661 1.00 0.00 C ATOM 988 O SER A 62 84.382 1.454 0.143 1.00 0.00 O ATOM 989 CB SER A 62 87.224 1.858 1.739 1.00 0.00 C ATOM 990 OG SER A 62 87.776 1.218 2.883 1.00 0.00 O ATOM 0 H SER A 62 84.663 0.325 2.122 1.00 0.00 H new ATOM 0 HA SER A 62 85.607 3.071 2.569 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.333 1.219 0.863 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.764 2.781 1.529 1.00 0.00 H new ATOM 0 HG SER A 62 87.595 1.759 3.680 1.00 0.00 H new ATOM 996 N GLU A 63 85.094 3.534 0.103 1.00 0.00 N ATOM 997 CA GLU A 63 84.406 3.790 -1.192 1.00 0.00 C ATOM 998 C GLU A 63 84.844 2.752 -2.225 1.00 0.00 C ATOM 999 O GLU A 63 84.059 2.289 -3.027 1.00 0.00 O ATOM 1000 CB GLU A 63 84.853 5.192 -1.612 1.00 0.00 C ATOM 1001 CG GLU A 63 83.936 5.709 -2.721 1.00 0.00 C ATOM 1002 CD GLU A 63 84.623 6.860 -3.456 1.00 0.00 C ATOM 1003 OE1 GLU A 63 84.574 7.972 -2.955 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.189 6.612 -4.508 1.00 0.00 O ATOM 0 H GLU A 63 85.606 4.328 0.488 1.00 0.00 H new ATOM 0 HA GLU A 63 83.321 3.722 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.822 5.867 -0.756 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.885 5.167 -1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.703 4.905 -3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 63 82.990 6.047 -2.297 1.00 0.00 H new ATOM 1011 N ALA A 64 86.096 2.378 -2.208 1.00 0.00 N ATOM 1012 CA ALA A 64 86.580 1.367 -3.184 1.00 0.00 C ATOM 1013 C ALA A 64 85.860 0.042 -2.952 1.00 0.00 C ATOM 1014 O ALA A 64 85.498 -0.651 -3.883 1.00 0.00 O ATOM 1015 CB ALA A 64 88.078 1.227 -2.907 1.00 0.00 C ATOM 0 H ALA A 64 86.801 2.730 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 64 86.390 1.659 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.508 0.495 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.567 2.190 -3.053 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.229 0.896 -1.880 1.00 0.00 H new ATOM 1021 N ASP A 65 85.628 -0.309 -1.717 1.00 0.00 N ATOM 1022 CA ASP A 65 84.909 -1.579 -1.434 1.00 0.00 C ATOM 1023 C ASP A 65 83.465 -1.436 -1.905 1.00 0.00 C ATOM 1024 O ASP A 65 82.971 -2.222 -2.691 1.00 0.00 O ATOM 1025 CB ASP A 65 84.970 -1.749 0.085 1.00 0.00 C ATOM 1026 CG ASP A 65 86.176 -2.615 0.454 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.137 -2.608 -0.297 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.117 -3.270 1.481 1.00 0.00 O ATOM 0 H ASP A 65 85.905 0.228 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 65 85.344 -2.440 -1.942 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.047 -0.775 0.568 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.052 -2.212 0.447 1.00 0.00 H new ATOM 1033 N ALA A 66 82.793 -0.418 -1.444 1.00 0.00 N ATOM 1034 CA ALA A 66 81.385 -0.201 -1.878 1.00 0.00 C ATOM 1035 C ALA A 66 81.351 0.073 -3.385 1.00 0.00 C ATOM 1036 O ALA A 66 80.465 -0.374 -4.088 1.00 0.00 O ATOM 1037 CB ALA A 66 80.911 1.024 -1.096 1.00 0.00 C ATOM 0 H ALA A 66 83.157 0.272 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 66 80.749 -1.066 -1.691 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.878 1.248 -1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.974 0.820 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.542 1.878 -1.340 1.00 0.00 H new ATOM 1043 N GLU A 67 82.317 0.799 -3.887 1.00 0.00 N ATOM 1044 CA GLU A 67 82.346 1.095 -5.345 1.00 0.00 C ATOM 1045 C GLU A 67 82.760 -0.156 -6.121 1.00 0.00 C ATOM 1046 O GLU A 67 82.205 -0.472 -7.155 1.00 0.00 O ATOM 1047 CB GLU A 67 83.391 2.199 -5.508 1.00 0.00 C ATOM 1048 CG GLU A 67 83.517 2.571 -6.987 1.00 0.00 C ATOM 1049 CD GLU A 67 84.744 3.462 -7.187 1.00 0.00 C ATOM 1050 OE1 GLU A 67 84.956 4.338 -6.364 1.00 0.00 O ATOM 1051 OE2 GLU A 67 85.450 3.255 -8.159 1.00 0.00 O ATOM 0 H GLU A 67 83.085 1.198 -3.348 1.00 0.00 H new ATOM 0 HA GLU A 67 81.372 1.402 -5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.104 3.074 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.354 1.862 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 67 83.606 1.670 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.619 3.091 -7.320 1.00 0.00 H new ATOM 1058 N LYS A 68 83.727 -0.878 -5.622 1.00 0.00 N ATOM 1059 CA LYS A 68 84.171 -2.113 -6.324 1.00 0.00 C ATOM 1060 C LYS A 68 83.016 -3.111 -6.378 1.00 0.00 C ATOM 1061 O LYS A 68 82.797 -3.772 -7.372 1.00 0.00 O ATOM 1062 CB LYS A 68 85.319 -2.663 -5.477 1.00 0.00 C ATOM 1063 CG LYS A 68 85.752 -4.025 -6.025 1.00 0.00 C ATOM 1064 CD LYS A 68 86.205 -3.871 -7.478 1.00 0.00 C ATOM 1065 CE LYS A 68 87.691 -4.222 -7.591 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.364 -2.938 -7.930 1.00 0.00 N ATOM 0 H LYS A 68 84.227 -0.665 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 68 84.486 -1.923 -7.350 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.160 -1.970 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.004 -2.761 -4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.564 -4.430 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 68 84.925 -4.733 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.617 -4.522 -8.124 1.00 0.00 H new ATOM 0 HD3 LYS A 68 86.035 -2.849 -7.816 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.072 -4.633 -6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.862 -4.973 -8.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.387 -3.097 -8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.986 -2.574 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 88.189 -2.245 -7.175 1.00 0.00 H new ATOM 1080 N ASN A 69 82.269 -3.219 -5.315 1.00 0.00 N ATOM 1081 CA ASN A 69 81.122 -4.166 -5.308 1.00 0.00 C ATOM 1082 C ASN A 69 79.991 -3.623 -6.185 1.00 0.00 C ATOM 1083 O ASN A 69 79.433 -4.327 -7.007 1.00 0.00 O ATOM 1084 CB ASN A 69 80.684 -4.235 -3.845 1.00 0.00 C ATOM 1085 CG ASN A 69 81.211 -5.523 -3.213 1.00 0.00 C ATOM 1086 OD1 ASN A 69 80.444 -6.381 -2.823 1.00 0.00 O ATOM 1087 ND2 ASN A 69 82.499 -5.696 -3.094 1.00 0.00 N ATOM 0 H ASN A 69 82.404 -2.692 -4.452 1.00 0.00 H new ATOM 0 HA ASN A 69 81.386 -5.148 -5.702 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.062 -3.370 -3.300 1.00 0.00 H new ATOM 0 HB3 ASN A 69 79.596 -4.204 -3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 69 82.862 -6.552 -2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.143 -4.976 -3.421 1.00 0.00 H new ATOM 1094 N LEU A 70 79.650 -2.373 -6.015 1.00 0.00 N ATOM 1095 CA LEU A 70 78.556 -1.777 -6.833 1.00 0.00 C ATOM 1096 C LEU A 70 78.885 -1.883 -8.322 1.00 0.00 C ATOM 1097 O LEU A 70 78.020 -2.111 -9.143 1.00 0.00 O ATOM 1098 CB LEU A 70 78.485 -0.313 -6.390 1.00 0.00 C ATOM 1099 CG LEU A 70 77.727 0.516 -7.434 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.476 -0.238 -7.890 1.00 0.00 C ATOM 1101 CD2 LEU A 70 77.314 1.853 -6.813 1.00 0.00 C ATOM 0 H LEU A 70 80.083 -1.739 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 70 77.605 -2.290 -6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 70 77.985 -0.241 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.491 0.085 -6.259 1.00 0.00 H new ATOM 0 HG LEU A 70 78.374 0.691 -8.294 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.943 0.357 -8.631 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.766 -1.192 -8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 70 75.827 -0.417 -7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.775 2.446 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 70 76.670 1.671 -5.953 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.203 2.395 -6.492 1.00 0.00 H new ATOM 1113 N GLU A 71 80.127 -1.724 -8.676 1.00 0.00 N ATOM 1114 CA GLU A 71 80.505 -1.823 -10.114 1.00 0.00 C ATOM 1115 C GLU A 71 80.804 -3.281 -10.477 1.00 0.00 C ATOM 1116 O GLU A 71 80.684 -3.684 -11.617 1.00 0.00 O ATOM 1117 CB GLU A 71 81.759 -0.958 -10.260 1.00 0.00 C ATOM 1118 CG GLU A 71 82.957 -1.680 -9.643 1.00 0.00 C ATOM 1119 CD GLU A 71 83.818 -2.287 -10.753 1.00 0.00 C ATOM 1120 OE1 GLU A 71 83.253 -2.702 -11.752 1.00 0.00 O ATOM 1121 OE2 GLU A 71 85.025 -2.325 -10.586 1.00 0.00 O ATOM 0 H GLU A 71 80.897 -1.530 -8.035 1.00 0.00 H new ATOM 0 HA GLU A 71 79.708 -1.488 -10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.949 -0.751 -11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.609 0.003 -9.769 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.549 -0.983 -9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.614 -2.462 -8.966 1.00 0.00 H new ATOM 1128 N GLU A 72 81.194 -4.073 -9.514 1.00 0.00 N ATOM 1129 CA GLU A 72 81.501 -5.498 -9.800 1.00 0.00 C ATOM 1130 C GLU A 72 80.217 -6.268 -10.125 1.00 0.00 C ATOM 1131 O GLU A 72 80.148 -6.985 -11.105 1.00 0.00 O ATOM 1132 CB GLU A 72 82.144 -6.034 -8.520 1.00 0.00 C ATOM 1133 CG GLU A 72 82.323 -7.551 -8.627 1.00 0.00 C ATOM 1134 CD GLU A 72 83.718 -7.863 -9.170 1.00 0.00 C ATOM 1135 OE1 GLU A 72 83.956 -7.586 -10.334 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.527 -8.373 -8.411 1.00 0.00 O ATOM 0 H GLU A 72 81.312 -3.791 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 72 82.159 -5.610 -10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.110 -5.555 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.520 -5.792 -7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.190 -8.013 -7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 72 81.563 -7.972 -9.285 1.00 0.00 H new ATOM 1143 N LYS A 73 79.203 -6.136 -9.313 1.00 0.00 N ATOM 1144 CA LYS A 73 77.935 -6.874 -9.590 1.00 0.00 C ATOM 1145 C LYS A 73 76.729 -6.080 -9.085 1.00 0.00 C ATOM 1146 O LYS A 73 75.673 -6.629 -8.847 1.00 0.00 O ATOM 1147 CB LYS A 73 78.069 -8.189 -8.820 1.00 0.00 C ATOM 1148 CG LYS A 73 78.403 -7.894 -7.357 1.00 0.00 C ATOM 1149 CD LYS A 73 78.759 -9.197 -6.640 1.00 0.00 C ATOM 1150 CE LYS A 73 80.172 -9.095 -6.063 1.00 0.00 C ATOM 1151 NZ LYS A 73 81.002 -9.985 -6.922 1.00 0.00 N ATOM 0 H LYS A 73 79.196 -5.554 -8.476 1.00 0.00 H new ATOM 0 HA LYS A 73 77.780 -7.035 -10.657 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.140 -8.756 -8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 73 78.850 -8.805 -9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 73 79.237 -7.195 -7.298 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.553 -7.418 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 73 78.043 -9.392 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.699 -10.035 -7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.536 -8.068 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 73 80.197 -9.415 -5.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 82.003 -9.891 -6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.700 -10.972 -6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 80.884 -9.714 -7.919 1.00 0.00 H new ATOM 1165 N GLN A 74 76.879 -4.794 -8.925 1.00 0.00 N ATOM 1166 CA GLN A 74 75.750 -3.957 -8.437 1.00 0.00 C ATOM 1167 C GLN A 74 74.996 -4.685 -7.322 1.00 0.00 C ATOM 1168 O GLN A 74 75.348 -4.597 -6.163 1.00 0.00 O ATOM 1169 CB GLN A 74 74.861 -3.744 -9.665 1.00 0.00 C ATOM 1170 CG GLN A 74 73.678 -2.849 -9.290 1.00 0.00 C ATOM 1171 CD GLN A 74 74.137 -1.390 -9.252 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.829 -0.667 -8.327 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.871 -0.923 -10.223 1.00 0.00 N ATOM 0 H GLN A 74 77.742 -4.285 -9.113 1.00 0.00 H new ATOM 0 HA GLN A 74 76.082 -3.009 -8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 74 75.437 -3.286 -10.469 1.00 0.00 H new ATOM 0 HB3 GLN A 74 74.501 -4.703 -10.037 1.00 0.00 H new ATOM 0 HG2 GLN A 74 72.872 -2.970 -10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.280 -3.142 -8.319 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.132 -1.528 -11.002 1.00 0.00 H new ATOM 0 HE22 GLN A 74 75.185 0.047 -10.204 1.00 0.00 H new ATOM 1182 N GLY A 75 73.966 -5.405 -7.655 1.00 0.00 N ATOM 1183 CA GLY A 75 73.204 -6.129 -6.602 1.00 0.00 C ATOM 1184 C GLY A 75 73.263 -7.637 -6.854 1.00 0.00 C ATOM 1185 O GLY A 75 72.372 -8.369 -6.473 1.00 0.00 O ATOM 0 H GLY A 75 73.618 -5.524 -8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 75 73.618 -5.900 -5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.167 -5.793 -6.597 1.00 0.00 H new ATOM 1189 N ALA A 76 74.308 -8.105 -7.482 1.00 0.00 N ATOM 1190 CA ALA A 76 74.436 -9.569 -7.751 1.00 0.00 C ATOM 1191 C ALA A 76 73.207 -10.101 -8.496 1.00 0.00 C ATOM 1192 O ALA A 76 72.104 -10.082 -7.990 1.00 0.00 O ATOM 1193 CB ALA A 76 74.543 -10.214 -6.369 1.00 0.00 C ATOM 0 H ALA A 76 75.082 -7.535 -7.822 1.00 0.00 H new ATOM 0 HA ALA A 76 75.297 -9.791 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.640 -11.294 -6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.418 -9.821 -5.851 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.647 -9.987 -5.791 1.00 0.00 H new ATOM 1199 N GLU A 77 73.392 -10.589 -9.693 1.00 0.00 N ATOM 1200 CA GLU A 77 72.235 -11.131 -10.463 1.00 0.00 C ATOM 1201 C GLU A 77 71.570 -12.269 -9.682 1.00 0.00 C ATOM 1202 O GLU A 77 71.961 -13.415 -9.783 1.00 0.00 O ATOM 1203 CB GLU A 77 72.835 -11.655 -11.768 1.00 0.00 C ATOM 1204 CG GLU A 77 71.712 -12.136 -12.689 1.00 0.00 C ATOM 1205 CD GLU A 77 71.578 -11.180 -13.876 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.061 -10.064 -13.770 1.00 0.00 O ATOM 1207 OE2 GLU A 77 70.993 -11.578 -14.869 1.00 0.00 O ATOM 0 H GLU A 77 74.292 -10.636 -10.170 1.00 0.00 H new ATOM 0 HA GLU A 77 71.469 -10.377 -10.643 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.410 -10.869 -12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.525 -12.473 -11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 77 71.925 -13.144 -13.043 1.00 0.00 H new ATOM 0 HG3 GLU A 77 70.772 -12.183 -12.139 1.00 0.00 H new ATOM 1214 N ILE A 78 70.568 -11.960 -8.904 1.00 0.00 N ATOM 1215 CA ILE A 78 69.876 -13.021 -8.117 1.00 0.00 C ATOM 1216 C ILE A 78 68.363 -12.862 -8.264 1.00 0.00 C ATOM 1217 O ILE A 78 67.891 -11.966 -8.934 1.00 0.00 O ATOM 1218 CB ILE A 78 70.294 -12.790 -6.662 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.814 -12.631 -6.574 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.866 -13.987 -5.810 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.171 -11.839 -5.315 1.00 0.00 C ATOM 0 H ILE A 78 70.198 -11.018 -8.779 1.00 0.00 H new ATOM 0 HA ILE A 78 70.138 -14.023 -8.455 1.00 0.00 H new ATOM 0 HB ILE A 78 69.813 -11.884 -6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.292 -13.610 -6.548 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.189 -12.116 -7.459 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.164 -13.822 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.783 -14.102 -5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.345 -14.891 -6.186 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.253 -11.725 -5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.705 -10.855 -5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.810 -12.372 -4.435 1.00 0.00 H new ATOM 1233 N ASP A 79 67.598 -13.717 -7.648 1.00 0.00 N ATOM 1234 CA ASP A 79 66.119 -13.598 -7.767 1.00 0.00 C ATOM 1235 C ASP A 79 65.741 -13.337 -9.226 1.00 0.00 C ATOM 1236 O ASP A 79 64.745 -12.708 -9.521 1.00 0.00 O ATOM 1237 CB ASP A 79 65.744 -12.403 -6.891 1.00 0.00 C ATOM 1238 CG ASP A 79 64.222 -12.330 -6.749 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.693 -13.015 -5.889 1.00 0.00 O ATOM 1240 OD2 ASP A 79 63.612 -11.590 -7.503 1.00 0.00 O ATOM 0 H ASP A 79 67.930 -14.489 -7.070 1.00 0.00 H new ATOM 0 HA ASP A 79 65.599 -14.504 -7.455 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.207 -12.499 -5.909 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.123 -11.482 -7.333 1.00 0.00 H new ATOM 1245 N GLY A 80 66.536 -13.821 -10.143 1.00 0.00 N ATOM 1246 CA GLY A 80 66.240 -13.609 -11.579 1.00 0.00 C ATOM 1247 C GLY A 80 66.562 -12.165 -11.969 1.00 0.00 C ATOM 1248 O GLY A 80 65.974 -11.616 -12.880 1.00 0.00 O ATOM 0 H GLY A 80 67.382 -14.357 -9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.827 -14.298 -12.186 1.00 0.00 H new ATOM 0 HA3 GLY A 80 65.190 -13.823 -11.778 1.00 0.00 H new ATOM 1252 N ARG A 81 67.492 -11.544 -11.291 1.00 0.00 N ATOM 1253 CA ARG A 81 67.848 -10.136 -11.634 1.00 0.00 C ATOM 1254 C ARG A 81 68.859 -9.583 -10.627 1.00 0.00 C ATOM 1255 O ARG A 81 68.810 -9.887 -9.451 1.00 0.00 O ATOM 1256 CB ARG A 81 66.532 -9.359 -11.550 1.00 0.00 C ATOM 1257 CG ARG A 81 65.770 -9.773 -10.289 1.00 0.00 C ATOM 1258 CD ARG A 81 64.966 -8.582 -9.764 1.00 0.00 C ATOM 1259 NE ARG A 81 64.242 -9.103 -8.573 1.00 0.00 N ATOM 1260 CZ ARG A 81 63.122 -8.549 -8.196 1.00 0.00 C ATOM 1261 NH1 ARG A 81 63.034 -7.250 -8.111 1.00 0.00 N ATOM 1262 NH2 ARG A 81 62.091 -9.294 -7.904 1.00 0.00 N ATOM 0 H ARG A 81 68.018 -11.950 -10.517 1.00 0.00 H new ATOM 0 HA ARG A 81 68.306 -10.058 -12.620 1.00 0.00 H new ATOM 0 HB2 ARG A 81 66.731 -8.288 -11.531 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.925 -9.555 -12.434 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.103 -10.606 -10.511 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.468 -10.119 -9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 81 65.619 -7.751 -9.497 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.271 -8.211 -10.518 1.00 0.00 H new ATOM 0 HE ARG A 81 64.621 -9.893 -8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 81 63.840 -6.668 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 81 62.159 -6.816 -7.816 1.00 0.00 H new ATOM 0 HH21 ARG A 81 62.160 -10.309 -7.970 1.00 0.00 H new ATOM 0 HH22 ARG A 81 61.216 -8.861 -7.609 1.00 0.00 H new ATOM 1276 N SER A 82 69.773 -8.767 -11.078 1.00 0.00 N ATOM 1277 CA SER A 82 70.784 -8.191 -10.145 1.00 0.00 C ATOM 1278 C SER A 82 70.161 -7.043 -9.348 1.00 0.00 C ATOM 1279 O SER A 82 69.461 -6.211 -9.890 1.00 0.00 O ATOM 1280 CB SER A 82 71.905 -7.675 -11.045 1.00 0.00 C ATOM 1281 OG SER A 82 71.375 -7.376 -12.330 1.00 0.00 O ATOM 0 H SER A 82 69.863 -8.474 -12.051 1.00 0.00 H new ATOM 0 HA SER A 82 71.149 -8.921 -9.423 1.00 0.00 H new ATOM 0 HB2 SER A 82 72.356 -6.784 -10.609 1.00 0.00 H new ATOM 0 HB3 SER A 82 72.693 -8.423 -11.129 1.00 0.00 H new ATOM 0 HG SER A 82 71.513 -8.141 -12.927 1.00 0.00 H new ATOM 1287 N VAL A 83 70.404 -6.989 -8.068 1.00 0.00 N ATOM 1288 CA VAL A 83 69.816 -5.890 -7.252 1.00 0.00 C ATOM 1289 C VAL A 83 70.485 -4.558 -7.611 1.00 0.00 C ATOM 1290 O VAL A 83 71.571 -4.523 -8.154 1.00 0.00 O ATOM 1291 CB VAL A 83 70.076 -6.296 -5.793 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.203 -5.053 -4.905 1.00 0.00 C ATOM 1293 CG2 VAL A 83 68.910 -7.151 -5.297 1.00 0.00 C ATOM 0 H VAL A 83 70.981 -7.654 -7.554 1.00 0.00 H new ATOM 0 HA VAL A 83 68.750 -5.748 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 83 71.007 -6.861 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.387 -5.359 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.033 -4.439 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.280 -4.476 -4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.087 -7.443 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 83 67.986 -6.577 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 83 68.824 -8.044 -5.916 1.00 0.00 H new ATOM 1303 N SER A 84 69.840 -3.460 -7.321 1.00 0.00 N ATOM 1304 CA SER A 84 70.437 -2.136 -7.657 1.00 0.00 C ATOM 1305 C SER A 84 71.056 -1.499 -6.411 1.00 0.00 C ATOM 1306 O SER A 84 70.464 -1.480 -5.351 1.00 0.00 O ATOM 1307 CB SER A 84 69.269 -1.292 -8.163 1.00 0.00 C ATOM 1308 OG SER A 84 68.465 -2.078 -9.033 1.00 0.00 O ATOM 0 H SER A 84 68.927 -3.423 -6.867 1.00 0.00 H new ATOM 0 HA SER A 84 71.232 -2.220 -8.398 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.674 -0.933 -7.323 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.641 -0.412 -8.688 1.00 0.00 H new ATOM 0 HG SER A 84 67.713 -1.540 -9.359 1.00 0.00 H new ATOM 1314 N LEU A 85 72.244 -0.976 -6.534 1.00 0.00 N ATOM 1315 CA LEU A 85 72.902 -0.337 -5.360 1.00 0.00 C ATOM 1316 C LEU A 85 72.853 1.187 -5.488 1.00 0.00 C ATOM 1317 O LEU A 85 73.373 1.761 -6.424 1.00 0.00 O ATOM 1318 CB LEU A 85 74.355 -0.822 -5.400 1.00 0.00 C ATOM 1319 CG LEU A 85 74.448 -2.289 -4.961 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.894 -2.607 -4.576 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.544 -2.537 -3.750 1.00 0.00 C ATOM 0 H LEU A 85 72.788 -0.963 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 85 72.407 -0.598 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.753 -0.713 -6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.969 -0.202 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 85 74.128 -2.927 -5.784 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.967 -3.649 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 85 76.544 -2.440 -5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.203 -1.959 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.619 -3.582 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 85 73.857 -1.897 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.511 -2.309 -4.014 1.00 0.00 H new ATOM 1333 N TYR A 86 72.242 1.845 -4.544 1.00 0.00 N ATOM 1334 CA TYR A 86 72.167 3.331 -4.592 1.00 0.00 C ATOM 1335 C TYR A 86 73.210 3.922 -3.647 1.00 0.00 C ATOM 1336 O TYR A 86 73.008 3.992 -2.451 1.00 0.00 O ATOM 1337 CB TYR A 86 70.764 3.681 -4.107 1.00 0.00 C ATOM 1338 CG TYR A 86 69.764 3.428 -5.209 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.613 2.140 -5.734 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.987 4.482 -5.701 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.683 1.906 -6.754 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.058 4.249 -6.721 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.906 2.960 -7.248 1.00 0.00 C ATOM 1344 OH TYR A 86 66.989 2.731 -8.254 1.00 0.00 O ATOM 0 H TYR A 86 71.789 1.415 -3.737 1.00 0.00 H new ATOM 0 HA TYR A 86 72.359 3.724 -5.590 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.512 3.083 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.725 4.727 -3.801 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.213 1.327 -5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 86 69.104 5.475 -5.294 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.565 0.912 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.458 5.063 -7.102 1.00 0.00 H new ATOM 0 HH TYR A 86 66.534 3.569 -8.479 1.00 0.00 H new ATOM 1354 N TYR A 87 74.324 4.338 -4.168 1.00 0.00 N ATOM 1355 CA TYR A 87 75.379 4.910 -3.302 1.00 0.00 C ATOM 1356 C TYR A 87 74.803 6.026 -2.430 1.00 0.00 C ATOM 1357 O TYR A 87 73.608 6.241 -2.380 1.00 0.00 O ATOM 1358 CB TYR A 87 76.412 5.468 -4.275 1.00 0.00 C ATOM 1359 CG TYR A 87 77.795 5.012 -3.874 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.078 4.712 -2.536 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.795 4.885 -4.846 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.360 4.285 -2.170 1.00 0.00 C ATOM 1363 CE2 TYR A 87 80.078 4.459 -4.479 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.361 4.159 -3.142 1.00 0.00 C ATOM 1365 OH TYR A 87 81.625 3.738 -2.781 1.00 0.00 O ATOM 0 H TYR A 87 74.549 4.306 -5.162 1.00 0.00 H new ATOM 0 HA TYR A 87 75.807 4.173 -2.623 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.189 5.133 -5.288 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.367 6.557 -4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.307 4.810 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.577 5.115 -5.878 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.577 4.053 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.849 4.362 -5.229 1.00 0.00 H new ATOM 0 HH TYR A 87 81.744 3.852 -1.815 1.00 0.00 H new ATOM 1375 N THR A 88 75.650 6.735 -1.747 1.00 0.00 N ATOM 1376 CA THR A 88 75.168 7.845 -0.874 1.00 0.00 C ATOM 1377 C THR A 88 76.346 8.703 -0.411 1.00 0.00 C ATOM 1378 O THR A 88 76.340 9.254 0.671 1.00 0.00 O ATOM 1379 CB THR A 88 74.499 7.161 0.321 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.764 5.765 0.279 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.990 7.397 0.267 1.00 0.00 C ATOM 0 H THR A 88 76.661 6.597 -1.753 1.00 0.00 H new ATOM 0 HA THR A 88 74.478 8.507 -1.398 1.00 0.00 H new ATOM 0 HB THR A 88 74.897 7.578 1.246 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.711 5.606 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 88 72.515 6.910 1.118 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.788 8.467 0.302 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.590 6.983 -0.658 1.00 0.00 H new