USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 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 84 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0.757 K(o=0.76,f=-0.94) USER MOD Single : A 25 SER OG : rot 158:sc= -0.761 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot -52:sc= 0.529 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 180: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 180:sc= -0.587 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -4.37 K(o=-4.4,f=-5.6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -2.32! C(o=-2.3!,f=-11!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0993 USER MOD Single : A 87 TYR OH : rot -130:sc= -5.36! USER MOD Single : A 88 THR OG1 : rot 55:sc= -3.54! USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 79.047 8.211 4.134 1.00 0.00 N ATOM 229 CA ALA A 15 78.274 7.867 2.913 1.00 0.00 C ATOM 230 C ALA A 15 79.211 7.363 1.812 1.00 0.00 C ATOM 231 O ALA A 15 78.805 6.646 0.920 1.00 0.00 O ATOM 232 CB ALA A 15 77.603 9.173 2.489 1.00 0.00 C ATOM 0 HA ALA A 15 77.548 7.075 3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 15 77.011 9.003 1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.953 9.525 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 15 78.366 9.924 2.284 1.00 0.00 H new ATOM 238 N ALA A 16 80.462 7.733 1.863 1.00 0.00 N ATOM 239 CA ALA A 16 81.413 7.272 0.810 1.00 0.00 C ATOM 240 C ALA A 16 81.670 5.774 0.946 1.00 0.00 C ATOM 241 O ALA A 16 81.670 5.041 -0.024 1.00 0.00 O ATOM 242 CB ALA A 16 82.697 8.065 1.055 1.00 0.00 C ATOM 0 H ALA A 16 80.865 8.331 2.584 1.00 0.00 H new ATOM 0 HA ALA A 16 81.023 7.434 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 16 83.447 7.780 0.317 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.488 9.131 0.967 1.00 0.00 H new ATOM 0 HB3 ALA A 16 83.072 7.850 2.055 1.00 0.00 H new ATOM 248 N ARG A 17 81.880 5.311 2.142 1.00 0.00 N ATOM 249 CA ARG A 17 82.128 3.856 2.342 1.00 0.00 C ATOM 250 C ARG A 17 80.799 3.132 2.558 1.00 0.00 C ATOM 251 O ARG A 17 80.745 2.079 3.160 1.00 0.00 O ATOM 252 CB ARG A 17 82.997 3.769 3.597 1.00 0.00 C ATOM 253 CG ARG A 17 82.241 4.366 4.786 1.00 0.00 C ATOM 254 CD ARG A 17 83.073 5.489 5.407 1.00 0.00 C ATOM 255 NE ARG A 17 84.100 4.796 6.233 1.00 0.00 N ATOM 256 CZ ARG A 17 83.777 4.300 7.396 1.00 0.00 C ATOM 257 NH1 ARG A 17 83.281 3.096 7.478 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.950 5.010 8.478 1.00 0.00 N ATOM 0 H ARG A 17 81.891 5.875 2.992 1.00 0.00 H new ATOM 0 HA ARG A 17 82.613 3.393 1.483 1.00 0.00 H new ATOM 0 HB2 ARG A 17 83.255 2.730 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.933 4.305 3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 17 81.275 4.752 4.460 1.00 0.00 H new ATOM 0 HG3 ARG A 17 82.041 3.594 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.536 6.108 4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.455 6.148 6.017 1.00 0.00 H new ATOM 0 HE ARG A 17 85.056 4.709 5.890 1.00 0.00 H new ATOM 0 HH11 ARG A 17 83.145 2.542 6.633 1.00 0.00 H new ATOM 0 HH12 ARG A 17 83.029 2.709 8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 17 84.337 5.951 8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 17 83.698 4.623 9.388 1.00 0.00 H new ATOM 272 N THR A 18 79.723 3.693 2.074 1.00 0.00 N ATOM 273 CA THR A 18 78.398 3.032 2.262 1.00 0.00 C ATOM 274 C THR A 18 77.477 3.307 1.069 1.00 0.00 C ATOM 275 O THR A 18 77.632 4.280 0.357 1.00 0.00 O ATOM 276 CB THR A 18 77.825 3.659 3.534 1.00 0.00 C ATOM 277 OG1 THR A 18 78.673 3.355 4.633 1.00 0.00 O ATOM 278 CG2 THR A 18 76.426 3.096 3.796 1.00 0.00 C ATOM 0 H THR A 18 79.703 4.574 1.560 1.00 0.00 H new ATOM 0 HA THR A 18 78.490 1.949 2.339 1.00 0.00 H new ATOM 0 HB THR A 18 77.762 4.740 3.411 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.308 3.757 5.449 1.00 0.00 H new ATOM 0 HG21 THR A 18 76.018 3.543 4.703 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.776 3.329 2.952 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.486 2.015 3.920 1.00 0.00 H new ATOM 286 N LEU A 19 76.512 2.454 0.855 1.00 0.00 N ATOM 287 CA LEU A 19 75.563 2.649 -0.280 1.00 0.00 C ATOM 288 C LEU A 19 74.195 2.062 0.077 1.00 0.00 C ATOM 289 O LEU A 19 73.984 1.576 1.169 1.00 0.00 O ATOM 290 CB LEU A 19 76.168 1.910 -1.484 1.00 0.00 C ATOM 291 CG LEU A 19 76.892 0.633 -1.043 1.00 0.00 C ATOM 292 CD1 LEU A 19 76.195 -0.583 -1.655 1.00 0.00 C ATOM 293 CD2 LEU A 19 78.341 0.685 -1.531 1.00 0.00 C ATOM 0 H LEU A 19 76.339 1.624 1.422 1.00 0.00 H new ATOM 0 HA LEU A 19 75.419 3.706 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.380 1.658 -2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.866 2.566 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 19 76.871 0.555 0.044 1.00 0.00 H new ATOM 0 HD11 LEU A 19 76.709 -1.492 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 19 75.159 -0.617 -1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 19 76.220 -0.508 -2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.862 -0.221 -1.221 1.00 0.00 H new ATOM 0 HD22 LEU A 19 78.356 0.758 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.838 1.555 -1.102 1.00 0.00 H new ATOM 305 N LEU A 20 73.262 2.110 -0.834 1.00 0.00 N ATOM 306 CA LEU A 20 71.906 1.562 -0.542 1.00 0.00 C ATOM 307 C LEU A 20 71.499 0.542 -1.609 1.00 0.00 C ATOM 308 O LEU A 20 71.511 0.826 -2.790 1.00 0.00 O ATOM 309 CB LEU A 20 70.979 2.778 -0.582 1.00 0.00 C ATOM 310 CG LEU A 20 69.649 2.437 0.089 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.909 1.389 -0.744 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.910 1.884 1.493 1.00 0.00 C ATOM 0 H LEU A 20 73.379 2.505 -1.767 1.00 0.00 H new ATOM 0 HA LEU A 20 71.867 1.044 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 20 71.448 3.621 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.808 3.083 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 20 69.040 3.338 0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.961 1.147 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.720 1.784 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.518 0.488 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.961 1.641 1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 20 70.521 0.984 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 20 70.434 2.633 2.087 1.00 0.00 H new ATOM 324 N ALA A 21 71.128 -0.642 -1.201 1.00 0.00 N ATOM 325 CA ALA A 21 70.710 -1.674 -2.193 1.00 0.00 C ATOM 326 C ALA A 21 69.206 -1.560 -2.451 1.00 0.00 C ATOM 327 O ALA A 21 68.410 -1.538 -1.533 1.00 0.00 O ATOM 328 CB ALA A 21 71.043 -3.014 -1.537 1.00 0.00 C ATOM 0 H ALA A 21 71.096 -0.939 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 21 71.213 -1.560 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.764 -3.827 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.113 -3.063 -1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.490 -3.109 -0.602 1.00 0.00 H new ATOM 334 N LYS A 22 68.807 -1.480 -3.690 1.00 0.00 N ATOM 335 CA LYS A 22 67.352 -1.360 -3.993 1.00 0.00 C ATOM 336 C LYS A 22 66.939 -2.388 -5.048 1.00 0.00 C ATOM 337 O LYS A 22 67.742 -3.167 -5.520 1.00 0.00 O ATOM 338 CB LYS A 22 67.177 0.059 -4.534 1.00 0.00 C ATOM 339 CG LYS A 22 66.203 0.831 -3.640 1.00 0.00 C ATOM 340 CD LYS A 22 65.176 1.555 -4.511 1.00 0.00 C ATOM 341 CE LYS A 22 64.960 2.972 -3.975 1.00 0.00 C ATOM 342 NZ LYS A 22 63.863 3.536 -4.811 1.00 0.00 N ATOM 0 H LYS A 22 69.422 -1.492 -4.503 1.00 0.00 H new ATOM 0 HA LYS A 22 66.734 -1.544 -3.114 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.140 0.569 -4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.800 0.026 -5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.699 0.147 -2.957 1.00 0.00 H new ATOM 0 HG3 LYS A 22 66.747 1.550 -3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.523 1.594 -5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.234 1.007 -4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 22 64.685 2.958 -2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 22 65.868 3.569 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.657 4.508 -4.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 64.156 3.543 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.010 2.951 -4.705 1.00 0.00 H new ATOM 356 N ASN A 23 65.689 -2.391 -5.417 1.00 0.00 N ATOM 357 CA ASN A 23 65.216 -3.365 -6.442 1.00 0.00 C ATOM 358 C ASN A 23 65.391 -4.797 -5.932 1.00 0.00 C ATOM 359 O ASN A 23 65.312 -5.748 -6.685 1.00 0.00 O ATOM 360 CB ASN A 23 66.103 -3.118 -7.663 1.00 0.00 C ATOM 361 CG ASN A 23 65.388 -3.612 -8.922 1.00 0.00 C ATOM 362 OD1 ASN A 23 65.184 -2.859 -9.853 1.00 0.00 O ATOM 363 ND2 ASN A 23 64.995 -4.855 -8.990 1.00 0.00 N ATOM 0 H ASN A 23 64.973 -1.761 -5.054 1.00 0.00 H new ATOM 0 HA ASN A 23 64.159 -3.238 -6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.328 -2.055 -7.753 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.055 -3.636 -7.545 1.00 0.00 H new ATOM 0 HD21 ASN A 23 64.517 -5.194 -9.825 1.00 0.00 H new ATOM 0 HD22 ASN A 23 65.166 -5.488 -8.208 1.00 0.00 H new ATOM 370 N LEU A 24 65.624 -4.961 -4.659 1.00 0.00 N ATOM 371 CA LEU A 24 65.799 -6.333 -4.104 1.00 0.00 C ATOM 372 C LEU A 24 64.492 -7.119 -4.229 1.00 0.00 C ATOM 373 O LEU A 24 63.629 -6.788 -5.018 1.00 0.00 O ATOM 374 CB LEU A 24 66.161 -6.128 -2.632 1.00 0.00 C ATOM 375 CG LEU A 24 67.563 -5.527 -2.526 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.550 -4.370 -1.524 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.542 -6.601 -2.047 1.00 0.00 C ATOM 0 H LEU A 24 65.701 -4.205 -3.979 1.00 0.00 H new ATOM 0 HA LEU A 24 66.566 -6.898 -4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.435 -5.468 -2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.121 -7.079 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 24 67.874 -5.158 -3.503 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.550 -3.942 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.852 -3.604 -1.862 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.239 -4.739 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.542 -6.174 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.229 -6.969 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.553 -7.427 -2.759 1.00 0.00 H new ATOM 389 N SER A 25 64.338 -8.158 -3.456 1.00 0.00 N ATOM 390 CA SER A 25 63.085 -8.962 -3.529 1.00 0.00 C ATOM 391 C SER A 25 62.652 -9.384 -2.123 1.00 0.00 C ATOM 392 O SER A 25 63.416 -9.317 -1.181 1.00 0.00 O ATOM 393 CB SER A 25 63.449 -10.186 -4.368 1.00 0.00 C ATOM 394 OG SER A 25 62.850 -10.069 -5.651 1.00 0.00 O ATOM 0 H SER A 25 65.025 -8.485 -2.777 1.00 0.00 H new ATOM 0 HA SER A 25 62.257 -8.403 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 25 64.532 -10.266 -4.465 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.105 -11.095 -3.875 1.00 0.00 H new ATOM 0 HG SER A 25 63.336 -10.630 -6.291 1.00 0.00 H new ATOM 400 N PHE A 26 61.433 -9.819 -1.974 1.00 0.00 N ATOM 401 CA PHE A 26 60.952 -10.246 -0.635 1.00 0.00 C ATOM 402 C PHE A 26 61.679 -11.521 -0.199 1.00 0.00 C ATOM 403 O PHE A 26 61.533 -11.982 0.916 1.00 0.00 O ATOM 404 CB PHE A 26 59.464 -10.519 -0.834 1.00 0.00 C ATOM 405 CG PHE A 26 58.658 -9.354 -0.311 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.497 -8.207 -1.098 1.00 0.00 C ATOM 407 CD2 PHE A 26 58.067 -9.422 0.957 1.00 0.00 C ATOM 408 CE1 PHE A 26 57.748 -7.128 -0.617 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.315 -8.343 1.436 1.00 0.00 C ATOM 410 CZ PHE A 26 57.156 -7.196 0.650 1.00 0.00 C ATOM 0 H PHE A 26 60.748 -9.897 -2.726 1.00 0.00 H new ATOM 0 HA PHE A 26 61.134 -9.498 0.137 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.251 -10.675 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.179 -11.433 -0.313 1.00 0.00 H new ATOM 0 HD1 PHE A 26 58.951 -8.155 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 26 58.191 -10.306 1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 26 57.626 -6.242 -1.223 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.857 -8.396 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.577 -6.363 1.021 1.00 0.00 H new ATOM 420 N ASN A 27 62.456 -12.098 -1.075 1.00 0.00 N ATOM 421 CA ASN A 27 63.186 -13.342 -0.721 1.00 0.00 C ATOM 422 C ASN A 27 64.626 -13.023 -0.310 1.00 0.00 C ATOM 423 O ASN A 27 65.124 -13.527 0.676 1.00 0.00 O ATOM 424 CB ASN A 27 63.166 -14.190 -1.993 1.00 0.00 C ATOM 425 CG ASN A 27 62.887 -15.649 -1.630 1.00 0.00 C ATOM 426 OD1 ASN A 27 61.800 -15.984 -1.206 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.832 -16.538 -1.781 1.00 0.00 N ATOM 0 H ASN A 27 62.615 -11.758 -2.023 1.00 0.00 H new ATOM 0 HA ASN A 27 62.728 -13.859 0.122 1.00 0.00 H new ATOM 0 HB2 ASN A 27 62.401 -13.822 -2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 27 64.122 -14.110 -2.511 1.00 0.00 H new ATOM 0 HD21 ASN A 27 63.657 -17.514 -1.543 1.00 0.00 H new ATOM 0 HD22 ASN A 27 64.745 -16.256 -2.137 1.00 0.00 H new ATOM 434 N ILE A 28 65.304 -12.195 -1.060 1.00 0.00 N ATOM 435 CA ILE A 28 66.713 -11.862 -0.702 1.00 0.00 C ATOM 436 C ILE A 28 66.774 -11.265 0.705 1.00 0.00 C ATOM 437 O ILE A 28 65.786 -10.798 1.236 1.00 0.00 O ATOM 438 CB ILE A 28 67.175 -10.845 -1.748 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.704 -10.785 -1.752 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.615 -9.460 -1.422 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.188 -10.162 -3.062 1.00 0.00 C ATOM 0 H ILE A 28 64.946 -11.738 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 28 67.353 -12.744 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 28 66.812 -11.153 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 28 69.057 -10.197 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 28 69.118 -11.787 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.951 -8.746 -2.174 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.526 -9.499 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.969 -9.147 -0.440 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.277 -10.120 -3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.847 -10.768 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.785 -9.153 -3.156 1.00 0.00 H new ATOM 453 N THR A 29 67.928 -11.280 1.309 1.00 0.00 N ATOM 454 CA THR A 29 68.058 -10.721 2.687 1.00 0.00 C ATOM 455 C THR A 29 69.510 -10.340 2.979 1.00 0.00 C ATOM 456 O THR A 29 70.362 -10.368 2.110 1.00 0.00 O ATOM 457 CB THR A 29 67.620 -11.857 3.614 1.00 0.00 C ATOM 458 OG1 THR A 29 68.461 -12.984 3.401 1.00 0.00 O ATOM 459 CG2 THR A 29 66.169 -12.237 3.318 1.00 0.00 C ATOM 0 H THR A 29 68.789 -11.655 0.910 1.00 0.00 H new ATOM 0 HA THR A 29 67.459 -9.820 2.818 1.00 0.00 H new ATOM 0 HB THR A 29 67.698 -11.531 4.651 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.492 -13.193 2.444 1.00 0.00 H new ATOM 0 HG21 THR A 29 65.862 -13.046 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.526 -11.372 3.480 1.00 0.00 H new ATOM 0 HG23 THR A 29 66.083 -12.564 2.282 1.00 0.00 H new ATOM 467 N GLU A 30 69.803 -9.994 4.205 1.00 0.00 N ATOM 468 CA GLU A 30 71.201 -9.624 4.560 1.00 0.00 C ATOM 469 C GLU A 30 72.146 -10.755 4.158 1.00 0.00 C ATOM 470 O GLU A 30 73.297 -10.535 3.840 1.00 0.00 O ATOM 471 CB GLU A 30 71.192 -9.439 6.078 1.00 0.00 C ATOM 472 CG GLU A 30 71.687 -8.032 6.423 1.00 0.00 C ATOM 473 CD GLU A 30 72.280 -8.032 7.834 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.902 -9.016 8.194 1.00 0.00 O ATOM 475 OE2 GLU A 30 72.100 -7.046 8.530 1.00 0.00 O ATOM 0 H GLU A 30 69.134 -9.952 4.974 1.00 0.00 H new ATOM 0 HA GLU A 30 71.540 -8.722 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.185 -9.587 6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.830 -10.186 6.550 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.438 -7.712 5.701 1.00 0.00 H new ATOM 0 HG3 GLU A 30 70.864 -7.320 6.363 1.00 0.00 H new ATOM 482 N ASP A 31 71.662 -11.967 4.160 1.00 0.00 N ATOM 483 CA ASP A 31 72.528 -13.113 3.766 1.00 0.00 C ATOM 484 C ASP A 31 73.006 -12.915 2.329 1.00 0.00 C ATOM 485 O ASP A 31 74.188 -12.931 2.046 1.00 0.00 O ATOM 486 CB ASP A 31 71.630 -14.347 3.871 1.00 0.00 C ATOM 487 CG ASP A 31 71.541 -14.791 5.332 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.172 -14.159 6.163 1.00 0.00 O ATOM 489 OD2 ASP A 31 70.843 -15.756 5.596 1.00 0.00 O ATOM 0 H ASP A 31 70.706 -12.212 4.417 1.00 0.00 H new ATOM 0 HA ASP A 31 73.413 -13.209 4.395 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.635 -14.120 3.488 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.031 -15.155 3.258 1.00 0.00 H new ATOM 494 N GLU A 32 72.093 -12.713 1.424 1.00 0.00 N ATOM 495 CA GLU A 32 72.489 -12.496 0.003 1.00 0.00 C ATOM 496 C GLU A 32 73.270 -11.189 -0.112 1.00 0.00 C ATOM 497 O GLU A 32 74.239 -11.086 -0.844 1.00 0.00 O ATOM 498 CB GLU A 32 71.173 -12.410 -0.770 1.00 0.00 C ATOM 499 CG GLU A 32 70.629 -13.820 -1.012 1.00 0.00 C ATOM 500 CD GLU A 32 69.958 -14.334 0.263 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.103 -13.637 0.782 1.00 0.00 O ATOM 502 OE2 GLU A 32 70.312 -15.418 0.698 1.00 0.00 O ATOM 0 H GLU A 32 71.089 -12.688 1.604 1.00 0.00 H new ATOM 0 HA GLU A 32 73.127 -13.291 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.448 -11.820 -0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.330 -11.901 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.913 -13.809 -1.833 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.439 -14.488 -1.304 1.00 0.00 H new ATOM 509 N LEU A 33 72.870 -10.195 0.629 1.00 0.00 N ATOM 510 CA LEU A 33 73.596 -8.902 0.589 1.00 0.00 C ATOM 511 C LEU A 33 74.949 -9.098 1.254 1.00 0.00 C ATOM 512 O LEU A 33 75.933 -8.483 0.895 1.00 0.00 O ATOM 513 CB LEU A 33 72.731 -7.926 1.387 1.00 0.00 C ATOM 514 CG LEU A 33 71.625 -7.372 0.486 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.373 -8.238 0.622 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.299 -5.937 0.907 1.00 0.00 C ATOM 0 H LEU A 33 72.070 -10.225 1.261 1.00 0.00 H new ATOM 0 HA LEU A 33 73.765 -8.531 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.294 -8.431 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.344 -7.111 1.772 1.00 0.00 H new ATOM 0 HG LEU A 33 71.962 -7.382 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.586 -7.843 -0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.604 -9.261 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.035 -8.229 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.511 -5.540 0.267 1.00 0.00 H new ATOM 0 HD22 LEU A 33 70.962 -5.930 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.191 -5.318 0.811 1.00 0.00 H new ATOM 528 N LYS A 34 75.004 -9.979 2.213 1.00 0.00 N ATOM 529 CA LYS A 34 76.292 -10.246 2.896 1.00 0.00 C ATOM 530 C LYS A 34 77.132 -11.168 2.020 1.00 0.00 C ATOM 531 O LYS A 34 78.344 -11.203 2.105 1.00 0.00 O ATOM 532 CB LYS A 34 75.921 -10.928 4.213 1.00 0.00 C ATOM 533 CG LYS A 34 77.198 -11.332 4.955 1.00 0.00 C ATOM 534 CD LYS A 34 76.908 -12.538 5.850 1.00 0.00 C ATOM 535 CE LYS A 34 78.185 -13.361 6.028 1.00 0.00 C ATOM 536 NZ LYS A 34 77.730 -14.661 6.594 1.00 0.00 N ATOM 0 H LYS A 34 74.211 -10.524 2.551 1.00 0.00 H new ATOM 0 HA LYS A 34 76.874 -9.342 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.327 -10.253 4.830 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.306 -11.807 4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.984 -11.576 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 34 77.561 -10.498 5.556 1.00 0.00 H new ATOM 0 HD2 LYS A 34 76.540 -12.204 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 34 76.125 -13.153 5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 34 78.699 -13.503 5.077 1.00 0.00 H new ATOM 0 HE3 LYS A 34 78.886 -12.863 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.552 -15.281 6.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 77.251 -14.496 7.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 77.070 -15.116 5.932 1.00 0.00 H new ATOM 550 N GLU A 35 76.482 -11.902 1.166 1.00 0.00 N ATOM 551 CA GLU A 35 77.209 -12.820 0.254 1.00 0.00 C ATOM 552 C GLU A 35 77.756 -12.029 -0.933 1.00 0.00 C ATOM 553 O GLU A 35 78.826 -12.304 -1.439 1.00 0.00 O ATOM 554 CB GLU A 35 76.164 -13.836 -0.209 1.00 0.00 C ATOM 555 CG GLU A 35 76.861 -14.999 -0.918 1.00 0.00 C ATOM 556 CD GLU A 35 75.813 -15.998 -1.412 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.747 -15.559 -1.811 1.00 0.00 O ATOM 558 OE2 GLU A 35 76.095 -17.185 -1.383 1.00 0.00 O ATOM 0 H GLU A 35 75.468 -11.905 1.060 1.00 0.00 H new ATOM 0 HA GLU A 35 78.055 -13.310 0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.597 -14.205 0.645 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.452 -13.360 -0.883 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.449 -14.627 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.555 -15.491 -0.236 1.00 0.00 H new ATOM 565 N VAL A 36 77.032 -11.034 -1.371 1.00 0.00 N ATOM 566 CA VAL A 36 77.512 -10.209 -2.513 1.00 0.00 C ATOM 567 C VAL A 36 78.437 -9.115 -1.984 1.00 0.00 C ATOM 568 O VAL A 36 79.443 -8.788 -2.584 1.00 0.00 O ATOM 569 CB VAL A 36 76.250 -9.602 -3.127 1.00 0.00 C ATOM 570 CG1 VAL A 36 76.626 -8.401 -3.997 1.00 0.00 C ATOM 571 CG2 VAL A 36 75.545 -10.652 -3.989 1.00 0.00 C ATOM 0 H VAL A 36 76.129 -10.758 -0.986 1.00 0.00 H new ATOM 0 HA VAL A 36 78.072 -10.786 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 36 75.583 -9.276 -2.329 1.00 0.00 H new ATOM 0 HG11 VAL A 36 75.724 -7.971 -4.433 1.00 0.00 H new ATOM 0 HG12 VAL A 36 77.126 -7.651 -3.385 1.00 0.00 H new ATOM 0 HG13 VAL A 36 77.296 -8.724 -4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 36 74.645 -10.219 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 36 76.215 -10.979 -4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 36 75.272 -11.507 -3.370 1.00 0.00 H new ATOM 581 N PHE A 37 78.102 -8.548 -0.859 1.00 0.00 N ATOM 582 CA PHE A 37 78.944 -7.481 -0.278 1.00 0.00 C ATOM 583 C PHE A 37 79.937 -8.079 0.723 1.00 0.00 C ATOM 584 O PHE A 37 80.326 -7.444 1.684 1.00 0.00 O ATOM 585 CB PHE A 37 77.950 -6.567 0.431 1.00 0.00 C ATOM 586 CG PHE A 37 76.898 -6.109 -0.550 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.274 -5.647 -1.816 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.545 -6.145 -0.192 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.298 -5.222 -2.725 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.568 -5.720 -1.100 1.00 0.00 C ATOM 591 CZ PHE A 37 74.945 -5.259 -2.367 1.00 0.00 C ATOM 0 H PHE A 37 77.271 -8.785 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 37 79.535 -6.952 -1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.482 -7.096 1.262 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.468 -5.706 0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.318 -5.618 -2.092 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.255 -6.501 0.785 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.589 -4.866 -3.702 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.524 -5.748 -0.823 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.192 -4.932 -3.069 1.00 0.00 H new ATOM 601 N GLU A 38 80.345 -9.300 0.509 1.00 0.00 N ATOM 602 CA GLU A 38 81.308 -9.946 1.448 1.00 0.00 C ATOM 603 C GLU A 38 82.484 -9.009 1.741 1.00 0.00 C ATOM 604 O GLU A 38 83.160 -9.144 2.742 1.00 0.00 O ATOM 605 CB GLU A 38 81.791 -11.200 0.718 1.00 0.00 C ATOM 606 CG GLU A 38 82.559 -10.794 -0.541 1.00 0.00 C ATOM 607 CD GLU A 38 84.039 -10.611 -0.201 1.00 0.00 C ATOM 608 OE1 GLU A 38 84.411 -10.920 0.919 1.00 0.00 O ATOM 609 OE2 GLU A 38 84.774 -10.166 -1.067 1.00 0.00 O ATOM 0 H GLU A 38 80.053 -9.880 -0.277 1.00 0.00 H new ATOM 0 HA GLU A 38 80.849 -10.182 2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 38 82.432 -11.791 1.373 1.00 0.00 H new ATOM 0 HB3 GLU A 38 80.941 -11.829 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.444 -11.556 -1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 38 82.151 -9.868 -0.946 1.00 0.00 H new ATOM 616 N ASP A 39 82.736 -8.064 0.878 1.00 0.00 N ATOM 617 CA ASP A 39 83.871 -7.126 1.114 1.00 0.00 C ATOM 618 C ASP A 39 83.418 -5.960 1.992 1.00 0.00 C ATOM 619 O ASP A 39 84.218 -5.158 2.435 1.00 0.00 O ATOM 620 CB ASP A 39 84.270 -6.631 -0.276 1.00 0.00 C ATOM 621 CG ASP A 39 85.691 -6.068 -0.229 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.342 -6.239 0.788 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.106 -5.474 -1.212 1.00 0.00 O ATOM 0 H ASP A 39 82.207 -7.900 0.021 1.00 0.00 H new ATOM 0 HA ASP A 39 84.704 -7.605 1.630 1.00 0.00 H new ATOM 0 HB2 ASP A 39 84.215 -7.449 -0.994 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.574 -5.863 -0.614 1.00 0.00 H new ATOM 628 N ALA A 40 82.143 -5.854 2.248 1.00 0.00 N ATOM 629 CA ALA A 40 81.650 -4.735 3.097 1.00 0.00 C ATOM 630 C ALA A 40 81.629 -5.154 4.571 1.00 0.00 C ATOM 631 O ALA A 40 81.847 -6.302 4.902 1.00 0.00 O ATOM 632 CB ALA A 40 80.232 -4.454 2.600 1.00 0.00 C ATOM 0 H ALA A 40 81.424 -6.492 1.907 1.00 0.00 H new ATOM 0 HA ALA A 40 82.289 -3.854 3.028 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.799 -3.638 3.179 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.264 -4.175 1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.621 -5.348 2.720 1.00 0.00 H new ATOM 638 N LEU A 41 81.364 -4.232 5.458 1.00 0.00 N ATOM 639 CA LEU A 41 81.326 -4.576 6.902 1.00 0.00 C ATOM 640 C LEU A 41 79.992 -5.239 7.238 1.00 0.00 C ATOM 641 O LEU A 41 79.941 -6.284 7.856 1.00 0.00 O ATOM 642 CB LEU A 41 81.446 -3.242 7.642 1.00 0.00 C ATOM 643 CG LEU A 41 82.618 -2.434 7.083 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.412 -0.955 7.414 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.921 -2.923 7.721 1.00 0.00 C ATOM 0 H LEU A 41 81.172 -3.254 5.240 1.00 0.00 H new ATOM 0 HA LEU A 41 82.121 -5.268 7.180 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.521 -2.675 7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.592 -3.420 8.707 1.00 0.00 H new ATOM 0 HG LEU A 41 82.672 -2.563 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.245 -0.374 7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.481 -0.608 6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.363 -0.828 8.495 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.758 -2.349 7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.869 -2.790 8.802 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.064 -3.979 7.492 1.00 0.00 H new ATOM 657 N GLU A 42 78.912 -4.631 6.834 1.00 0.00 N ATOM 658 CA GLU A 42 77.570 -5.210 7.126 1.00 0.00 C ATOM 659 C GLU A 42 76.502 -4.552 6.250 1.00 0.00 C ATOM 660 O GLU A 42 76.722 -3.516 5.655 1.00 0.00 O ATOM 661 CB GLU A 42 77.318 -4.898 8.600 1.00 0.00 C ATOM 662 CG GLU A 42 77.958 -5.982 9.466 1.00 0.00 C ATOM 663 CD GLU A 42 76.987 -6.390 10.576 1.00 0.00 C ATOM 664 OE1 GLU A 42 75.976 -6.995 10.259 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.272 -6.091 11.725 1.00 0.00 O ATOM 0 H GLU A 42 78.900 -3.755 6.312 1.00 0.00 H new ATOM 0 HA GLU A 42 77.531 -6.280 6.921 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.734 -3.923 8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.247 -4.848 8.794 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.212 -6.848 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 42 78.888 -5.614 9.899 1.00 0.00 H new ATOM 672 N ILE A 43 75.347 -5.150 6.171 1.00 0.00 N ATOM 673 CA ILE A 43 74.258 -4.566 5.337 1.00 0.00 C ATOM 674 C ILE A 43 72.958 -4.500 6.138 1.00 0.00 C ATOM 675 O ILE A 43 72.718 -5.297 7.023 1.00 0.00 O ATOM 676 CB ILE A 43 74.107 -5.524 4.157 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.275 -5.329 3.188 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.792 -5.244 3.428 1.00 0.00 C ATOM 679 CD1 ILE A 43 76.268 -6.482 3.348 1.00 0.00 C ATOM 0 H ILE A 43 75.109 -6.019 6.648 1.00 0.00 H new ATOM 0 HA ILE A 43 74.486 -3.550 5.013 1.00 0.00 H new ATOM 0 HB ILE A 43 74.104 -6.550 4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.908 -5.291 2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.770 -4.378 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.689 -5.930 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.958 -5.385 4.115 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.791 -4.218 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 43 77.100 -6.344 2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.644 -6.499 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.768 -7.426 3.129 1.00 0.00 H new ATOM 691 N ARG A 44 72.113 -3.559 5.828 1.00 0.00 N ATOM 692 CA ARG A 44 70.827 -3.436 6.554 1.00 0.00 C ATOM 693 C ARG A 44 69.672 -3.609 5.559 1.00 0.00 C ATOM 694 O ARG A 44 69.856 -3.511 4.362 1.00 0.00 O ATOM 695 CB ARG A 44 70.866 -2.022 7.155 1.00 0.00 C ATOM 696 CG ARG A 44 69.477 -1.384 7.113 1.00 0.00 C ATOM 697 CD ARG A 44 69.406 -0.238 8.125 1.00 0.00 C ATOM 698 NE ARG A 44 68.302 -0.615 9.053 1.00 0.00 N ATOM 699 CZ ARG A 44 68.564 -1.293 10.137 1.00 0.00 C ATOM 700 NH1 ARG A 44 69.285 -2.379 10.070 1.00 0.00 N ATOM 701 NH2 ARG A 44 68.103 -0.887 11.289 1.00 0.00 N ATOM 0 H ARG A 44 72.262 -2.865 5.096 1.00 0.00 H new ATOM 0 HA ARG A 44 70.681 -4.188 7.330 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.221 -2.068 8.185 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.573 -1.404 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 44 69.268 -1.011 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 44 68.716 -2.131 7.340 1.00 0.00 H new ATOM 0 HD2 ARG A 44 70.349 -0.123 8.659 1.00 0.00 H new ATOM 0 HD3 ARG A 44 69.201 0.712 7.632 1.00 0.00 H new ATOM 0 HE ARG A 44 67.342 -0.343 8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 44 69.644 -2.698 9.170 1.00 0.00 H new ATOM 0 HH12 ARG A 44 69.489 -2.908 10.917 1.00 0.00 H new ATOM 0 HH21 ARG A 44 67.538 -0.040 11.342 1.00 0.00 H new ATOM 0 HH22 ARG A 44 68.308 -1.417 12.136 1.00 0.00 H new ATOM 715 N LEU A 45 68.488 -3.863 6.041 1.00 0.00 N ATOM 716 CA LEU A 45 67.337 -4.039 5.116 1.00 0.00 C ATOM 717 C LEU A 45 66.452 -2.795 5.145 1.00 0.00 C ATOM 718 O LEU A 45 66.479 -2.025 6.084 1.00 0.00 O ATOM 719 CB LEU A 45 66.578 -5.253 5.648 1.00 0.00 C ATOM 720 CG LEU A 45 66.598 -6.367 4.601 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.622 -7.470 5.010 1.00 0.00 C ATOM 722 CD2 LEU A 45 66.180 -5.798 3.242 1.00 0.00 C ATOM 0 H LEU A 45 68.269 -3.956 7.033 1.00 0.00 H new ATOM 0 HA LEU A 45 67.653 -4.183 4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.033 -5.602 6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.550 -4.978 5.882 1.00 0.00 H new ATOM 0 HG LEU A 45 67.605 -6.779 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.637 -8.264 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 45 65.917 -7.876 5.978 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.616 -7.057 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 45 66.194 -6.592 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.174 -5.386 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.874 -5.011 2.948 1.00 0.00 H new ATOM 734 N VAL A 46 65.675 -2.586 4.123 1.00 0.00 N ATOM 735 CA VAL A 46 64.800 -1.386 4.096 1.00 0.00 C ATOM 736 C VAL A 46 63.518 -1.668 3.302 1.00 0.00 C ATOM 737 O VAL A 46 63.549 -2.161 2.179 1.00 0.00 O ATOM 738 CB VAL A 46 65.648 -0.304 3.427 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.832 0.982 3.306 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.891 -0.042 4.281 1.00 0.00 C ATOM 0 H VAL A 46 65.608 -3.193 3.306 1.00 0.00 H new ATOM 0 HA VAL A 46 64.473 -1.084 5.091 1.00 0.00 H new ATOM 0 HB VAL A 46 65.948 -0.635 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.437 1.753 2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.943 0.794 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.533 1.318 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.501 0.729 3.810 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.587 0.292 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.472 -0.960 4.369 1.00 0.00 H new ATOM 750 N SER A 47 62.392 -1.363 3.894 1.00 0.00 N ATOM 751 CA SER A 47 61.083 -1.602 3.224 1.00 0.00 C ATOM 752 C SER A 47 60.266 -0.308 3.186 1.00 0.00 C ATOM 753 O SER A 47 60.808 0.779 3.171 1.00 0.00 O ATOM 754 CB SER A 47 60.389 -2.646 4.094 1.00 0.00 C ATOM 755 OG SER A 47 59.772 -2.000 5.199 1.00 0.00 O ATOM 0 H SER A 47 62.326 -0.953 4.826 1.00 0.00 H new ATOM 0 HA SER A 47 61.197 -1.935 2.192 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.643 -3.185 3.510 1.00 0.00 H new ATOM 0 HB3 SER A 47 61.112 -3.382 4.445 1.00 0.00 H new ATOM 0 HG SER A 47 59.324 -2.667 5.759 1.00 0.00 H new ATOM 819 N SER A 52 58.276 -5.240 3.456 1.00 0.00 N ATOM 820 CA SER A 52 59.500 -5.305 2.609 1.00 0.00 C ATOM 821 C SER A 52 59.256 -4.638 1.257 1.00 0.00 C ATOM 822 O SER A 52 58.278 -4.895 0.587 1.00 0.00 O ATOM 823 CB SER A 52 59.778 -6.791 2.429 1.00 0.00 C ATOM 824 OG SER A 52 61.182 -7.004 2.379 1.00 0.00 O ATOM 0 HA SER A 52 60.341 -4.783 3.067 1.00 0.00 H new ATOM 0 HB2 SER A 52 59.342 -7.357 3.253 1.00 0.00 H new ATOM 0 HB3 SER A 52 59.311 -7.152 1.512 1.00 0.00 H new ATOM 0 HG SER A 52 61.364 -7.960 2.265 1.00 0.00 H new ATOM 830 N LYS A 53 60.146 -3.782 0.860 1.00 0.00 N ATOM 831 CA LYS A 53 59.989 -3.088 -0.446 1.00 0.00 C ATOM 832 C LYS A 53 61.140 -3.485 -1.364 1.00 0.00 C ATOM 833 O LYS A 53 61.083 -3.312 -2.565 1.00 0.00 O ATOM 834 CB LYS A 53 60.049 -1.596 -0.116 1.00 0.00 C ATOM 835 CG LYS A 53 59.690 -0.781 -1.361 1.00 0.00 C ATOM 836 CD LYS A 53 58.171 -0.616 -1.443 1.00 0.00 C ATOM 837 CE LYS A 53 57.837 0.803 -1.911 1.00 0.00 C ATOM 838 NZ LYS A 53 56.386 0.971 -1.621 1.00 0.00 N ATOM 0 H LYS A 53 60.983 -3.529 1.386 1.00 0.00 H new ATOM 0 HA LYS A 53 59.060 -3.345 -0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.358 -1.364 0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.048 -1.329 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 53 60.171 0.196 -1.320 1.00 0.00 H new ATOM 0 HG3 LYS A 53 60.061 -1.281 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 53 57.752 -1.347 -2.135 1.00 0.00 H new ATOM 0 HD3 LYS A 53 57.721 -0.805 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.434 1.545 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 53 58.044 0.928 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 56.081 1.921 -1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 55.842 0.256 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 56.220 0.854 -0.601 1.00 0.00 H new ATOM 852 N GLY A 54 62.182 -4.025 -0.800 1.00 0.00 N ATOM 853 CA GLY A 54 63.339 -4.447 -1.626 1.00 0.00 C ATOM 854 C GLY A 54 64.495 -3.463 -1.443 1.00 0.00 C ATOM 855 O GLY A 54 65.338 -3.324 -2.307 1.00 0.00 O ATOM 0 H GLY A 54 62.280 -4.192 0.201 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.655 -5.450 -1.340 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.050 -4.491 -2.676 1.00 0.00 H new ATOM 859 N ILE A 55 64.558 -2.779 -0.329 1.00 0.00 N ATOM 860 CA ILE A 55 65.680 -1.822 -0.128 1.00 0.00 C ATOM 861 C ILE A 55 66.600 -2.335 0.984 1.00 0.00 C ATOM 862 O ILE A 55 66.190 -3.103 1.831 1.00 0.00 O ATOM 863 CB ILE A 55 65.010 -0.506 0.267 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.909 -0.177 -0.745 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.048 0.616 0.265 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.300 1.185 -0.412 1.00 0.00 C ATOM 0 H ILE A 55 63.889 -2.842 0.439 1.00 0.00 H new ATOM 0 HA ILE A 55 66.299 -1.700 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 55 64.579 -0.601 1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.320 -0.166 -1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.138 -0.947 -0.723 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.570 1.554 0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.838 0.382 0.979 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.477 0.713 -0.732 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.516 1.419 -1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.874 1.158 0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.075 1.951 -0.457 1.00 0.00 H new ATOM 878 N ALA A 56 67.843 -1.932 0.984 1.00 0.00 N ATOM 879 CA ALA A 56 68.778 -2.416 2.041 1.00 0.00 C ATOM 880 C ALA A 56 70.005 -1.503 2.118 1.00 0.00 C ATOM 881 O ALA A 56 70.524 -1.062 1.113 1.00 0.00 O ATOM 882 CB ALA A 56 69.186 -3.821 1.595 1.00 0.00 C ATOM 0 H ALA A 56 68.250 -1.292 0.302 1.00 0.00 H new ATOM 0 HA ALA A 56 68.319 -2.418 3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.876 -4.248 2.323 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.300 -4.451 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.673 -3.767 0.621 1.00 0.00 H new ATOM 888 N TYR A 57 70.478 -1.218 3.301 1.00 0.00 N ATOM 889 CA TYR A 57 71.673 -0.335 3.431 1.00 0.00 C ATOM 890 C TYR A 57 72.954 -1.169 3.357 1.00 0.00 C ATOM 891 O TYR A 57 72.977 -2.322 3.741 1.00 0.00 O ATOM 892 CB TYR A 57 71.540 0.324 4.804 1.00 0.00 C ATOM 893 CG TYR A 57 71.159 1.774 4.633 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.944 2.614 3.833 1.00 0.00 C ATOM 895 CD2 TYR A 57 70.022 2.281 5.273 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.592 3.960 3.673 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.669 3.627 5.113 1.00 0.00 C ATOM 898 CZ TYR A 57 70.454 4.466 4.313 1.00 0.00 C ATOM 899 OH TYR A 57 70.107 5.792 4.155 1.00 0.00 O ATOM 0 H TYR A 57 70.090 -1.557 4.181 1.00 0.00 H new ATOM 0 HA TYR A 57 71.727 0.405 2.632 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.785 -0.194 5.396 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.481 0.246 5.349 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.821 2.223 3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.417 1.634 5.890 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.198 4.607 3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.791 4.018 5.607 1.00 0.00 H new ATOM 0 HH TYR A 57 69.291 5.980 4.665 1.00 0.00 H new ATOM 909 N ILE A 58 74.019 -0.600 2.865 1.00 0.00 N ATOM 910 CA ILE A 58 75.296 -1.369 2.767 1.00 0.00 C ATOM 911 C ILE A 58 76.461 -0.514 3.275 1.00 0.00 C ATOM 912 O ILE A 58 76.717 0.561 2.771 1.00 0.00 O ATOM 913 CB ILE A 58 75.482 -1.685 1.275 1.00 0.00 C ATOM 914 CG1 ILE A 58 74.121 -1.861 0.588 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.286 -2.978 1.128 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.421 -3.095 1.150 1.00 0.00 C ATOM 0 H ILE A 58 74.063 0.361 2.527 1.00 0.00 H new ATOM 0 HA ILE A 58 75.268 -2.278 3.368 1.00 0.00 H new ATOM 0 HB ILE A 58 76.012 -0.856 0.805 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.505 -0.976 0.747 1.00 0.00 H new ATOM 0 HG13 ILE A 58 74.256 -1.966 -0.489 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.420 -3.205 0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.261 -2.856 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.751 -3.796 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.455 -3.219 0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 58 74.036 -3.977 0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 58 73.272 -2.972 2.223 1.00 0.00 H new ATOM 928 N GLU A 59 77.172 -0.982 4.265 1.00 0.00 N ATOM 929 CA GLU A 59 78.319 -0.191 4.794 1.00 0.00 C ATOM 930 C GLU A 59 79.621 -0.975 4.613 1.00 0.00 C ATOM 931 O GLU A 59 79.855 -1.967 5.273 1.00 0.00 O ATOM 932 CB GLU A 59 78.013 0.009 6.280 1.00 0.00 C ATOM 933 CG GLU A 59 77.549 -1.316 6.888 1.00 0.00 C ATOM 934 CD GLU A 59 77.752 -1.280 8.404 1.00 0.00 C ATOM 935 OE1 GLU A 59 78.656 -0.590 8.845 1.00 0.00 O ATOM 936 OE2 GLU A 59 76.997 -1.941 9.099 1.00 0.00 O ATOM 0 H GLU A 59 77.009 -1.875 4.729 1.00 0.00 H new ATOM 0 HA GLU A 59 78.443 0.760 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.901 0.369 6.800 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.241 0.769 6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.498 -1.487 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 59 78.110 -2.144 6.455 1.00 0.00 H new ATOM 943 N PHE A 60 80.469 -0.542 3.720 1.00 0.00 N ATOM 944 CA PHE A 60 81.748 -1.275 3.501 1.00 0.00 C ATOM 945 C PHE A 60 82.852 -0.716 4.398 1.00 0.00 C ATOM 946 O PHE A 60 82.652 0.222 5.141 1.00 0.00 O ATOM 947 CB PHE A 60 82.102 -1.052 2.032 1.00 0.00 C ATOM 948 CG PHE A 60 81.137 -1.815 1.158 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.827 -1.352 0.989 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.555 -2.986 0.514 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.935 -2.061 0.177 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.662 -3.694 -0.299 1.00 0.00 C ATOM 953 CZ PHE A 60 79.352 -3.232 -0.468 1.00 0.00 C ATOM 0 H PHE A 60 80.333 0.283 3.136 1.00 0.00 H new ATOM 0 HA PHE A 60 81.647 -2.333 3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 60 82.061 0.011 1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.123 -1.382 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.505 -0.448 1.485 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.566 -3.343 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.924 -1.705 0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.984 -4.597 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.663 -3.778 -1.095 1.00 0.00 H new ATOM 963 N LYS A 61 84.017 -1.293 4.322 1.00 0.00 N ATOM 964 CA LYS A 61 85.151 -0.807 5.159 1.00 0.00 C ATOM 965 C LYS A 61 85.685 0.516 4.605 1.00 0.00 C ATOM 966 O LYS A 61 86.450 1.207 5.248 1.00 0.00 O ATOM 967 CB LYS A 61 86.216 -1.899 5.057 1.00 0.00 C ATOM 968 CG LYS A 61 87.276 -1.681 6.137 1.00 0.00 C ATOM 969 CD LYS A 61 88.626 -2.204 5.640 1.00 0.00 C ATOM 970 CE LYS A 61 89.719 -1.826 6.643 1.00 0.00 C ATOM 971 NZ LYS A 61 90.922 -1.542 5.811 1.00 0.00 N ATOM 0 H LYS A 61 84.235 -2.083 3.715 1.00 0.00 H new ATOM 0 HA LYS A 61 84.854 -0.624 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.758 -2.881 5.175 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.678 -1.880 4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 61 87.351 -0.621 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 61 86.989 -2.197 7.053 1.00 0.00 H new ATOM 0 HD2 LYS A 61 88.587 -3.287 5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.854 -1.782 4.661 1.00 0.00 H new ATOM 0 HE2 LYS A 61 89.431 -0.955 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 61 89.908 -2.637 7.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 91.716 -1.275 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 91.176 -2.391 5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 90.715 -0.761 5.156 1.00 0.00 H new ATOM 985 N SER A 62 85.283 0.873 3.417 1.00 0.00 N ATOM 986 CA SER A 62 85.765 2.151 2.818 1.00 0.00 C ATOM 987 C SER A 62 85.105 2.375 1.456 1.00 0.00 C ATOM 988 O SER A 62 84.590 1.459 0.846 1.00 0.00 O ATOM 989 CB SER A 62 87.274 1.971 2.659 1.00 0.00 C ATOM 990 OG SER A 62 87.590 0.586 2.703 1.00 0.00 O ATOM 0 H SER A 62 84.641 0.336 2.834 1.00 0.00 H new ATOM 0 HA SER A 62 85.522 3.015 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.605 2.401 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.801 2.501 3.453 1.00 0.00 H new ATOM 0 HG SER A 62 88.557 0.468 2.600 1.00 0.00 H new ATOM 996 N GLU A 63 85.116 3.587 0.973 1.00 0.00 N ATOM 997 CA GLU A 63 84.490 3.867 -0.350 1.00 0.00 C ATOM 998 C GLU A 63 85.036 2.900 -1.404 1.00 0.00 C ATOM 999 O GLU A 63 84.324 2.463 -2.286 1.00 0.00 O ATOM 1000 CB GLU A 63 84.884 5.306 -0.681 1.00 0.00 C ATOM 1001 CG GLU A 63 84.222 5.728 -1.994 1.00 0.00 C ATOM 1002 CD GLU A 63 85.300 6.106 -3.012 1.00 0.00 C ATOM 1003 OE1 GLU A 63 86.165 5.284 -3.262 1.00 0.00 O ATOM 1004 OE2 GLU A 63 85.243 7.213 -3.522 1.00 0.00 O ATOM 0 H GLU A 63 85.531 4.395 1.437 1.00 0.00 H new ATOM 0 HA GLU A 63 83.408 3.739 -0.332 1.00 0.00 H new ATOM 0 HB2 GLU A 63 84.576 5.973 0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.968 5.387 -0.765 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.610 4.914 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.556 6.574 -1.822 1.00 0.00 H new ATOM 1011 N ALA A 64 86.293 2.563 -1.317 1.00 0.00 N ATOM 1012 CA ALA A 64 86.878 1.625 -2.312 1.00 0.00 C ATOM 1013 C ALA A 64 86.208 0.258 -2.193 1.00 0.00 C ATOM 1014 O ALA A 64 85.915 -0.390 -3.178 1.00 0.00 O ATOM 1015 CB ALA A 64 88.362 1.535 -1.952 1.00 0.00 C ATOM 0 H ALA A 64 86.938 2.897 -0.601 1.00 0.00 H new ATOM 0 HA ALA A 64 86.734 1.963 -3.338 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.864 0.859 -2.644 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.814 2.525 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.467 1.157 -0.935 1.00 0.00 H new ATOM 1021 N ASP A 65 85.951 -0.182 -0.992 1.00 0.00 N ATOM 1022 CA ASP A 65 85.285 -1.501 -0.814 1.00 0.00 C ATOM 1023 C ASP A 65 83.843 -1.403 -1.310 1.00 0.00 C ATOM 1024 O ASP A 65 83.391 -2.200 -2.110 1.00 0.00 O ATOM 1025 CB ASP A 65 85.322 -1.770 0.690 1.00 0.00 C ATOM 1026 CG ASP A 65 86.595 -2.542 1.041 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.554 -2.434 0.294 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.590 -3.227 2.050 1.00 0.00 O ATOM 0 H ASP A 65 86.173 0.314 -0.129 1.00 0.00 H new ATOM 0 HA ASP A 65 85.772 -2.301 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.292 -0.829 1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.444 -2.342 0.989 1.00 0.00 H new ATOM 1033 N ALA A 66 83.124 -0.417 -0.848 1.00 0.00 N ATOM 1034 CA ALA A 66 81.714 -0.250 -1.296 1.00 0.00 C ATOM 1035 C ALA A 66 81.679 0.066 -2.794 1.00 0.00 C ATOM 1036 O ALA A 66 80.762 -0.310 -3.496 1.00 0.00 O ATOM 1037 CB ALA A 66 81.180 0.931 -0.485 1.00 0.00 C ATOM 0 H ALA A 66 83.453 0.280 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 66 81.117 -1.149 -1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 66 80.142 1.120 -0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.240 0.699 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.777 1.818 -0.697 1.00 0.00 H new ATOM 1043 N GLU A 67 82.673 0.754 -3.288 1.00 0.00 N ATOM 1044 CA GLU A 67 82.697 1.092 -4.736 1.00 0.00 C ATOM 1045 C GLU A 67 83.121 -0.130 -5.555 1.00 0.00 C ATOM 1046 O GLU A 67 82.508 -0.467 -6.551 1.00 0.00 O ATOM 1047 CB GLU A 67 83.730 2.211 -4.866 1.00 0.00 C ATOM 1048 CG GLU A 67 83.844 2.635 -6.332 1.00 0.00 C ATOM 1049 CD GLU A 67 84.035 4.150 -6.412 1.00 0.00 C ATOM 1050 OE1 GLU A 67 83.048 4.858 -6.299 1.00 0.00 O ATOM 1051 OE2 GLU A 67 85.165 4.577 -6.584 1.00 0.00 O ATOM 0 H GLU A 67 83.469 1.096 -2.749 1.00 0.00 H new ATOM 0 HA GLU A 67 81.718 1.398 -5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 67 83.438 3.063 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.698 1.871 -4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 67 84.685 2.126 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.947 2.342 -6.877 1.00 0.00 H new ATOM 1058 N LYS A 68 84.163 -0.799 -5.140 1.00 0.00 N ATOM 1059 CA LYS A 68 84.624 -1.999 -5.891 1.00 0.00 C ATOM 1060 C LYS A 68 83.529 -3.062 -5.884 1.00 0.00 C ATOM 1061 O LYS A 68 83.263 -3.702 -6.880 1.00 0.00 O ATOM 1062 CB LYS A 68 85.859 -2.491 -5.133 1.00 0.00 C ATOM 1063 CG LYS A 68 86.216 -3.903 -5.601 1.00 0.00 C ATOM 1064 CD LYS A 68 86.668 -3.857 -7.062 1.00 0.00 C ATOM 1065 CE LYS A 68 87.383 -5.163 -7.416 1.00 0.00 C ATOM 1066 NZ LYS A 68 88.806 -4.776 -7.629 1.00 0.00 N ATOM 0 H LYS A 68 84.714 -0.566 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 68 84.853 -1.779 -6.934 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.697 -1.816 -5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.665 -2.490 -4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 68 87.009 -4.315 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 68 85.353 -4.561 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.808 -3.712 -7.716 1.00 0.00 H new ATOM 0 HD3 LYS A 68 87.335 -3.010 -7.221 1.00 0.00 H new ATOM 0 HE2 LYS A 68 87.289 -5.895 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 68 86.958 -5.615 -8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 89.362 -5.620 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 88.865 -4.084 -8.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 89.185 -4.354 -6.757 1.00 0.00 H new ATOM 1080 N ASN A 69 82.885 -3.249 -4.765 1.00 0.00 N ATOM 1081 CA ASN A 69 81.801 -4.267 -4.694 1.00 0.00 C ATOM 1082 C ASN A 69 80.550 -3.746 -5.404 1.00 0.00 C ATOM 1083 O ASN A 69 79.968 -4.418 -6.233 1.00 0.00 O ATOM 1084 CB ASN A 69 81.537 -4.451 -3.200 1.00 0.00 C ATOM 1085 CG ASN A 69 82.235 -5.721 -2.713 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.621 -6.566 -2.091 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.502 -5.891 -2.971 1.00 0.00 N ATOM 0 H ASN A 69 83.063 -2.741 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 69 82.073 -5.205 -5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.903 -3.587 -2.646 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.465 -4.518 -3.015 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.979 -6.734 -2.651 1.00 0.00 H new ATOM 0 HD22 ASN A 69 84.016 -5.181 -3.493 1.00 0.00 H new ATOM 1094 N LEU A 70 80.135 -2.549 -5.087 1.00 0.00 N ATOM 1095 CA LEU A 70 78.925 -1.982 -5.745 1.00 0.00 C ATOM 1096 C LEU A 70 79.063 -2.065 -7.265 1.00 0.00 C ATOM 1097 O LEU A 70 78.140 -2.428 -7.965 1.00 0.00 O ATOM 1098 CB LEU A 70 78.869 -0.524 -5.289 1.00 0.00 C ATOM 1099 CG LEU A 70 77.649 0.158 -5.911 1.00 0.00 C ATOM 1100 CD1 LEU A 70 77.171 1.285 -4.994 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.028 0.737 -7.276 1.00 0.00 C ATOM 0 H LEU A 70 80.582 -1.940 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 70 78.018 -2.525 -5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.812 -0.474 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.780 -0.004 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 70 76.850 -0.572 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU A 70 76.302 1.771 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.900 0.873 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.970 2.016 -4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.159 1.223 -7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.828 1.467 -7.152 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.368 -0.066 -7.930 1.00 0.00 H new ATOM 1113 N GLU A 71 80.213 -1.734 -7.777 1.00 0.00 N ATOM 1114 CA GLU A 71 80.416 -1.796 -9.252 1.00 0.00 C ATOM 1115 C GLU A 71 80.701 -3.238 -9.679 1.00 0.00 C ATOM 1116 O GLU A 71 80.270 -3.684 -10.723 1.00 0.00 O ATOM 1117 CB GLU A 71 81.629 -0.905 -9.522 1.00 0.00 C ATOM 1118 CG GLU A 71 82.898 -1.607 -9.036 1.00 0.00 C ATOM 1119 CD GLU A 71 84.066 -0.619 -9.054 1.00 0.00 C ATOM 1120 OE1 GLU A 71 84.005 0.354 -8.319 1.00 0.00 O ATOM 1121 OE2 GLU A 71 85.002 -0.852 -9.801 1.00 0.00 O ATOM 0 H GLU A 71 81.022 -1.423 -7.240 1.00 0.00 H new ATOM 0 HA GLU A 71 79.539 -1.465 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.705 -0.690 -10.588 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.512 0.051 -9.012 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.750 -1.993 -8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.121 -2.462 -9.675 1.00 0.00 H new ATOM 1128 N GLU A 72 81.430 -3.966 -8.879 1.00 0.00 N ATOM 1129 CA GLU A 72 81.751 -5.373 -9.234 1.00 0.00 C ATOM 1130 C GLU A 72 80.474 -6.214 -9.319 1.00 0.00 C ATOM 1131 O GLU A 72 80.417 -7.196 -10.033 1.00 0.00 O ATOM 1132 CB GLU A 72 82.646 -5.875 -8.101 1.00 0.00 C ATOM 1133 CG GLU A 72 82.882 -7.379 -8.264 1.00 0.00 C ATOM 1134 CD GLU A 72 83.831 -7.623 -9.438 1.00 0.00 C ATOM 1135 OE1 GLU A 72 83.376 -7.552 -10.567 1.00 0.00 O ATOM 1136 OE2 GLU A 72 84.998 -7.875 -9.187 1.00 0.00 O ATOM 0 H GLU A 72 81.818 -3.644 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 72 82.239 -5.446 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.598 -5.344 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.179 -5.672 -7.137 1.00 0.00 H new ATOM 0 HG2 GLU A 72 83.305 -7.793 -7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 72 81.935 -7.890 -8.436 1.00 0.00 H new ATOM 1143 N LYS A 73 79.448 -5.845 -8.598 1.00 0.00 N ATOM 1144 CA LYS A 73 78.189 -6.638 -8.647 1.00 0.00 C ATOM 1145 C LYS A 73 77.052 -5.797 -9.227 1.00 0.00 C ATOM 1146 O LYS A 73 76.535 -6.086 -10.288 1.00 0.00 O ATOM 1147 CB LYS A 73 77.896 -7.005 -7.192 1.00 0.00 C ATOM 1148 CG LYS A 73 78.536 -8.356 -6.867 1.00 0.00 C ATOM 1149 CD LYS A 73 79.998 -8.147 -6.472 1.00 0.00 C ATOM 1150 CE LYS A 73 80.246 -8.754 -5.089 1.00 0.00 C ATOM 1151 NZ LYS A 73 81.274 -9.808 -5.311 1.00 0.00 N ATOM 0 H LYS A 73 79.429 -5.033 -7.981 1.00 0.00 H new ATOM 0 HA LYS A 73 78.283 -7.520 -9.280 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.287 -6.236 -6.526 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.820 -7.052 -7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.995 -8.841 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 73 78.473 -9.017 -7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 73 80.654 -8.612 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 73 80.234 -7.083 -6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.599 -8.001 -4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 73 79.331 -9.176 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 81.497 -10.271 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.908 -10.515 -5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 82.136 -9.376 -5.701 1.00 0.00 H new ATOM 1165 N GLN A 74 76.663 -4.764 -8.534 1.00 0.00 N ATOM 1166 CA GLN A 74 75.552 -3.891 -9.029 1.00 0.00 C ATOM 1167 C GLN A 74 74.462 -4.742 -9.691 1.00 0.00 C ATOM 1168 O GLN A 74 74.534 -5.053 -10.863 1.00 0.00 O ATOM 1169 CB GLN A 74 76.203 -2.961 -10.053 1.00 0.00 C ATOM 1170 CG GLN A 74 76.022 -1.507 -9.608 1.00 0.00 C ATOM 1171 CD GLN A 74 74.532 -1.163 -9.574 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.842 -1.489 -8.628 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.002 -0.512 -10.573 1.00 0.00 N ATOM 0 H GLN A 74 77.066 -4.482 -7.641 1.00 0.00 H new ATOM 0 HA GLN A 74 75.074 -3.336 -8.222 1.00 0.00 H new ATOM 0 HB2 GLN A 74 77.263 -3.194 -10.149 1.00 0.00 H new ATOM 0 HB3 GLN A 74 75.753 -3.111 -11.034 1.00 0.00 H new ATOM 0 HG2 GLN A 74 76.462 -1.360 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 74 76.544 -0.839 -10.293 1.00 0.00 H new ATOM 0 HE21 GLN A 74 74.580 -0.238 -11.367 1.00 0.00 H new ATOM 0 HE22 GLN A 74 73.010 -0.277 -10.560 1.00 0.00 H new ATOM 1182 N GLY A 75 73.456 -5.123 -8.952 1.00 0.00 N ATOM 1183 CA GLY A 75 72.376 -5.957 -9.547 1.00 0.00 C ATOM 1184 C GLY A 75 72.508 -7.392 -9.037 1.00 0.00 C ATOM 1185 O GLY A 75 71.569 -7.967 -8.527 1.00 0.00 O ATOM 0 H GLY A 75 73.336 -4.893 -7.965 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.400 -5.552 -9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.443 -5.938 -10.635 1.00 0.00 H new ATOM 1189 N ALA A 76 73.673 -7.972 -9.165 1.00 0.00 N ATOM 1190 CA ALA A 76 73.879 -9.371 -8.683 1.00 0.00 C ATOM 1191 C ALA A 76 72.646 -10.232 -8.978 1.00 0.00 C ATOM 1192 O ALA A 76 71.695 -10.251 -8.222 1.00 0.00 O ATOM 1193 CB ALA A 76 74.093 -9.241 -7.175 1.00 0.00 C ATOM 0 H ALA A 76 74.494 -7.535 -9.584 1.00 0.00 H new ATOM 0 HA ALA A 76 74.722 -9.854 -9.178 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.252 -10.229 -6.744 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.966 -8.617 -6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.214 -8.784 -6.721 1.00 0.00 H new ATOM 1199 N GLU A 77 72.655 -10.946 -10.069 1.00 0.00 N ATOM 1200 CA GLU A 77 71.482 -11.804 -10.406 1.00 0.00 C ATOM 1201 C GLU A 77 71.118 -12.698 -9.216 1.00 0.00 C ATOM 1202 O GLU A 77 71.606 -13.804 -9.087 1.00 0.00 O ATOM 1203 CB GLU A 77 71.940 -12.652 -11.594 1.00 0.00 C ATOM 1204 CG GLU A 77 70.736 -13.372 -12.202 1.00 0.00 C ATOM 1205 CD GLU A 77 70.640 -13.040 -13.693 1.00 0.00 C ATOM 1206 OE1 GLU A 77 70.796 -11.878 -14.031 1.00 0.00 O ATOM 1207 OE2 GLU A 77 70.411 -13.953 -14.469 1.00 0.00 O ATOM 0 H GLU A 77 73.422 -10.973 -10.741 1.00 0.00 H new ATOM 0 HA GLU A 77 70.595 -11.216 -10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.416 -12.020 -12.344 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.686 -13.378 -11.270 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.835 -14.449 -12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 77 69.822 -13.068 -11.692 1.00 0.00 H new ATOM 1214 N ILE A 78 70.255 -12.233 -8.351 1.00 0.00 N ATOM 1215 CA ILE A 78 69.848 -13.060 -7.177 1.00 0.00 C ATOM 1216 C ILE A 78 68.345 -12.931 -6.975 1.00 0.00 C ATOM 1217 O ILE A 78 67.691 -12.173 -7.657 1.00 0.00 O ATOM 1218 CB ILE A 78 70.577 -12.477 -5.964 1.00 0.00 C ATOM 1219 CG1 ILE A 78 72.070 -12.313 -6.265 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.408 -13.424 -4.774 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.645 -11.208 -5.379 1.00 0.00 C ATOM 0 H ILE A 78 69.814 -11.315 -8.407 1.00 0.00 H new ATOM 0 HA ILE A 78 70.094 -14.112 -7.320 1.00 0.00 H new ATOM 0 HB ILE A 78 70.152 -11.500 -5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.595 -13.251 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.216 -12.065 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.925 -13.014 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.348 -13.535 -4.545 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.830 -14.398 -5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.708 -11.088 -5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.127 -10.271 -5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.511 -11.476 -4.331 1.00 0.00 H new ATOM 1233 N ASP A 79 67.794 -13.655 -6.044 1.00 0.00 N ATOM 1234 CA ASP A 79 66.327 -13.564 -5.806 1.00 0.00 C ATOM 1235 C ASP A 79 65.583 -13.499 -7.145 1.00 0.00 C ATOM 1236 O ASP A 79 64.505 -12.949 -7.244 1.00 0.00 O ATOM 1237 CB ASP A 79 66.134 -12.273 -5.000 1.00 0.00 C ATOM 1238 CG ASP A 79 66.159 -11.061 -5.934 1.00 0.00 C ATOM 1239 OD1 ASP A 79 65.112 -10.722 -6.460 1.00 0.00 O ATOM 1240 OD2 ASP A 79 67.224 -10.492 -6.107 1.00 0.00 O ATOM 0 H ASP A 79 68.294 -14.305 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 79 65.934 -14.429 -5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 79 65.186 -12.309 -4.463 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.921 -12.181 -4.251 1.00 0.00 H new ATOM 1245 N GLY A 80 66.160 -14.058 -8.174 1.00 0.00 N ATOM 1246 CA GLY A 80 65.507 -14.037 -9.508 1.00 0.00 C ATOM 1247 C GLY A 80 65.429 -12.599 -10.031 1.00 0.00 C ATOM 1248 O GLY A 80 64.663 -12.301 -10.925 1.00 0.00 O ATOM 0 H GLY A 80 67.063 -14.531 -8.144 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.069 -14.657 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.506 -14.462 -9.439 1.00 0.00 H new ATOM 1252 N ARG A 81 66.217 -11.706 -9.487 1.00 0.00 N ATOM 1253 CA ARG A 81 66.183 -10.291 -9.961 1.00 0.00 C ATOM 1254 C ARG A 81 67.531 -9.613 -9.708 1.00 0.00 C ATOM 1255 O ARG A 81 68.419 -10.178 -9.099 1.00 0.00 O ATOM 1256 CB ARG A 81 65.093 -9.613 -9.127 1.00 0.00 C ATOM 1257 CG ARG A 81 63.835 -10.481 -9.114 1.00 0.00 C ATOM 1258 CD ARG A 81 62.687 -9.709 -8.458 1.00 0.00 C ATOM 1259 NE ARG A 81 61.831 -9.259 -9.591 1.00 0.00 N ATOM 1260 CZ ARG A 81 61.364 -8.041 -9.612 1.00 0.00 C ATOM 1261 NH1 ARG A 81 61.053 -7.442 -8.496 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.209 -7.421 -10.750 1.00 0.00 N ATOM 0 H ARG A 81 66.881 -11.896 -8.736 1.00 0.00 H new ATOM 0 HA ARG A 81 65.983 -10.227 -11.031 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.447 -9.455 -8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.864 -8.631 -9.541 1.00 0.00 H new ATOM 0 HG2 ARG A 81 63.564 -10.761 -10.132 1.00 0.00 H new ATOM 0 HG3 ARG A 81 64.024 -11.405 -8.568 1.00 0.00 H new ATOM 0 HD2 ARG A 81 62.129 -10.342 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.059 -8.861 -7.883 1.00 0.00 H new ATOM 0 HE ARG A 81 61.610 -9.903 -10.350 1.00 0.00 H new ATOM 0 HH11 ARG A 81 61.175 -7.926 -7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 81 60.688 -6.490 -8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.453 -7.889 -11.623 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.844 -6.469 -10.766 1.00 0.00 H new ATOM 1276 N SER A 82 67.688 -8.402 -10.169 1.00 0.00 N ATOM 1277 CA SER A 82 68.970 -7.680 -9.957 1.00 0.00 C ATOM 1278 C SER A 82 68.803 -6.618 -8.867 1.00 0.00 C ATOM 1279 O SER A 82 67.868 -5.842 -8.879 1.00 0.00 O ATOM 1280 CB SER A 82 69.267 -7.023 -11.300 1.00 0.00 C ATOM 1281 OG SER A 82 68.042 -6.721 -11.955 1.00 0.00 O ATOM 0 H SER A 82 66.979 -7.881 -10.685 1.00 0.00 H new ATOM 0 HA SER A 82 69.774 -8.341 -9.634 1.00 0.00 H new ATOM 0 HB2 SER A 82 69.848 -6.113 -11.152 1.00 0.00 H new ATOM 0 HB3 SER A 82 69.869 -7.689 -11.918 1.00 0.00 H new ATOM 0 HG SER A 82 68.229 -6.297 -12.818 1.00 0.00 H new ATOM 1287 N VAL A 83 69.704 -6.575 -7.925 1.00 0.00 N ATOM 1288 CA VAL A 83 69.601 -5.565 -6.836 1.00 0.00 C ATOM 1289 C VAL A 83 70.354 -4.291 -7.229 1.00 0.00 C ATOM 1290 O VAL A 83 71.519 -4.325 -7.573 1.00 0.00 O ATOM 1291 CB VAL A 83 70.248 -6.228 -5.618 1.00 0.00 C ATOM 1292 CG1 VAL A 83 70.402 -5.199 -4.498 1.00 0.00 C ATOM 1293 CG2 VAL A 83 69.358 -7.377 -5.136 1.00 0.00 C ATOM 0 H VAL A 83 70.509 -7.198 -7.863 1.00 0.00 H new ATOM 0 HA VAL A 83 68.571 -5.272 -6.635 1.00 0.00 H new ATOM 0 HB VAL A 83 71.230 -6.615 -5.891 1.00 0.00 H new ATOM 0 HG11 VAL A 83 70.863 -5.672 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.032 -4.379 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 83 69.421 -4.812 -4.222 1.00 0.00 H new ATOM 0 HG21 VAL A 83 69.815 -7.852 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 83 68.378 -6.987 -4.862 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.247 -8.110 -5.935 1.00 0.00 H new ATOM 1303 N SER A 84 69.695 -3.165 -7.183 1.00 0.00 N ATOM 1304 CA SER A 84 70.368 -1.890 -7.559 1.00 0.00 C ATOM 1305 C SER A 84 71.183 -1.356 -6.382 1.00 0.00 C ATOM 1306 O SER A 84 70.845 -1.566 -5.233 1.00 0.00 O ATOM 1307 CB SER A 84 69.232 -0.929 -7.905 1.00 0.00 C ATOM 1308 OG SER A 84 69.035 -0.923 -9.312 1.00 0.00 O ATOM 0 H SER A 84 68.719 -3.073 -6.901 1.00 0.00 H new ATOM 0 HA SER A 84 71.060 -2.018 -8.391 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.316 -1.233 -7.399 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.471 0.075 -7.555 1.00 0.00 H new ATOM 0 HG SER A 84 68.306 -0.309 -9.538 1.00 0.00 H new ATOM 1314 N LEU A 85 72.253 -0.667 -6.658 1.00 0.00 N ATOM 1315 CA LEU A 85 73.091 -0.120 -5.555 1.00 0.00 C ATOM 1316 C LEU A 85 73.130 1.407 -5.628 1.00 0.00 C ATOM 1317 O LEU A 85 73.562 1.980 -6.608 1.00 0.00 O ATOM 1318 CB LEU A 85 74.481 -0.705 -5.789 1.00 0.00 C ATOM 1319 CG LEU A 85 74.539 -2.114 -5.206 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.680 -2.892 -5.862 1.00 0.00 C ATOM 1321 CD2 LEU A 85 74.780 -2.026 -3.698 1.00 0.00 C ATOM 0 H LEU A 85 72.584 -0.458 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 85 72.701 -0.379 -4.571 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.702 -0.731 -6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 85 75.237 -0.074 -5.322 1.00 0.00 H new ATOM 0 HG LEU A 85 73.597 -2.628 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.721 -3.898 -5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.509 -2.951 -6.937 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.624 -2.382 -5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.822 -3.031 -3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 85 75.723 -1.514 -3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.966 -1.471 -3.231 1.00 0.00 H new ATOM 1333 N TYR A 86 72.682 2.069 -4.598 1.00 0.00 N ATOM 1334 CA TYR A 86 72.692 3.554 -4.608 1.00 0.00 C ATOM 1335 C TYR A 86 73.606 4.083 -3.503 1.00 0.00 C ATOM 1336 O TYR A 86 73.252 4.088 -2.341 1.00 0.00 O ATOM 1337 CB TYR A 86 71.244 3.953 -4.339 1.00 0.00 C ATOM 1338 CG TYR A 86 70.366 3.459 -5.463 1.00 0.00 C ATOM 1339 CD1 TYR A 86 70.768 3.632 -6.792 1.00 0.00 C ATOM 1340 CD2 TYR A 86 69.151 2.826 -5.175 1.00 0.00 C ATOM 1341 CE1 TYR A 86 69.953 3.173 -7.835 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.337 2.367 -6.217 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.738 2.541 -7.547 1.00 0.00 C ATOM 1344 OH TYR A 86 67.936 2.088 -8.575 1.00 0.00 O ATOM 0 H TYR A 86 72.309 1.643 -3.749 1.00 0.00 H new ATOM 0 HA TYR A 86 73.063 3.961 -5.548 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.910 3.531 -3.391 1.00 0.00 H new ATOM 0 HB3 TYR A 86 71.165 5.037 -4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 86 71.706 4.119 -7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.842 2.692 -4.149 1.00 0.00 H new ATOM 0 HE1 TYR A 86 70.262 3.307 -8.861 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.400 1.879 -5.995 1.00 0.00 H new ATOM 0 HH TYR A 86 67.130 1.673 -8.203 1.00 0.00 H new ATOM 1354 N TYR A 87 74.776 4.535 -3.856 1.00 0.00 N ATOM 1355 CA TYR A 87 75.709 5.069 -2.855 1.00 0.00 C ATOM 1356 C TYR A 87 74.978 6.009 -1.892 1.00 0.00 C ATOM 1357 O TYR A 87 73.818 6.322 -2.075 1.00 0.00 O ATOM 1358 CB TYR A 87 76.704 5.839 -3.703 1.00 0.00 C ATOM 1359 CG TYR A 87 77.647 4.883 -4.394 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.705 4.305 -3.683 1.00 0.00 C ATOM 1361 CD2 TYR A 87 77.465 4.581 -5.749 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.582 3.424 -4.328 1.00 0.00 C ATOM 1363 CE2 TYR A 87 78.342 3.700 -6.393 1.00 0.00 C ATOM 1364 CZ TYR A 87 79.400 3.122 -5.682 1.00 0.00 C ATOM 1365 OH TYR A 87 80.265 2.254 -6.318 1.00 0.00 O ATOM 0 H TYR A 87 75.121 4.553 -4.816 1.00 0.00 H new ATOM 0 HA TYR A 87 76.172 4.301 -2.235 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.175 6.439 -4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 87 77.269 6.530 -3.077 1.00 0.00 H new ATOM 0 HD1 TYR A 87 78.845 4.538 -2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 87 76.649 5.027 -6.297 1.00 0.00 H new ATOM 0 HE1 TYR A 87 80.399 2.978 -3.780 1.00 0.00 H new ATOM 0 HE2 TYR A 87 78.202 3.466 -7.438 1.00 0.00 H new ATOM 0 HH TYR A 87 80.581 2.660 -7.152 1.00 0.00 H new ATOM 1375 N THR A 88 75.650 6.472 -0.878 1.00 0.00 N ATOM 1376 CA THR A 88 74.994 7.401 0.085 1.00 0.00 C ATOM 1377 C THR A 88 75.506 8.819 -0.135 1.00 0.00 C ATOM 1378 O THR A 88 75.524 9.637 0.763 1.00 0.00 O ATOM 1379 CB THR A 88 75.376 6.888 1.474 1.00 0.00 C ATOM 1380 OG1 THR A 88 76.578 6.136 1.385 1.00 0.00 O ATOM 1381 CG2 THR A 88 74.255 6.000 2.018 1.00 0.00 C ATOM 0 H THR A 88 76.624 6.249 -0.673 1.00 0.00 H new ATOM 0 HA THR A 88 73.912 7.431 -0.039 1.00 0.00 H new ATOM 0 HB THR A 88 75.525 7.733 2.146 1.00 0.00 H new ATOM 0 HG1 THR A 88 77.275 6.682 0.964 1.00 0.00 H new ATOM 0 HG21 THR A 88 74.528 5.635 3.008 1.00 0.00 H new ATOM 0 HG22 THR A 88 73.333 6.578 2.086 1.00 0.00 H new ATOM 0 HG23 THR A 88 74.104 5.154 1.348 1.00 0.00 H new