USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -127:sc= 0.0767 USER MOD Single : A 23 ASN : amide:sc= 0.953 K(o=0.95,f=-1.8) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0952! USER MOD Single : A 27 ASN : amide:sc= -0.0164 K(o=-0.016,f=-1.6!) USER MOD Single : A 29 THR OG1 : rot 133:sc= -0.303! 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 120:sc= -2.07! 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 83:sc= -1.2! USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -0.87 F(o=-2.3,f=-0.87) USER MOD Single : A 73 LYS NZ :NH3+ -149:sc= 0.396 (180deg=0.0509) USER MOD Single : A 74 GLN : amide:sc= 0.398 K(o=0.4,f=-5.7!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0491 USER MOD Single : A 84 SER OG : rot -170:sc= -2.45! USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -112:sc= -3.51! USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.0406 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 78.354 8.090 4.611 1.00 0.00 N ATOM 229 CA ALA A 15 77.544 7.802 3.397 1.00 0.00 C ATOM 230 C ALA A 15 78.453 7.425 2.225 1.00 0.00 C ATOM 231 O ALA A 15 78.051 6.728 1.315 1.00 0.00 O ATOM 232 CB ALA A 15 76.802 9.104 3.097 1.00 0.00 C ATOM 0 HA ALA A 15 76.861 6.966 3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 15 76.180 8.973 2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.172 9.368 3.947 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.524 9.901 2.919 1.00 0.00 H new ATOM 238 N ALA A 16 79.674 7.885 2.235 1.00 0.00 N ATOM 239 CA ALA A 16 80.602 7.556 1.116 1.00 0.00 C ATOM 240 C ALA A 16 80.908 6.059 1.101 1.00 0.00 C ATOM 241 O ALA A 16 80.871 5.418 0.070 1.00 0.00 O ATOM 242 CB ALA A 16 81.868 8.364 1.397 1.00 0.00 C ATOM 0 H ALA A 16 80.069 8.474 2.968 1.00 0.00 H new ATOM 0 HA ALA A 16 80.175 7.798 0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 16 82.602 8.174 0.614 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.625 9.426 1.417 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.282 8.068 2.361 1.00 0.00 H new ATOM 248 N ARG A 17 81.199 5.497 2.234 1.00 0.00 N ATOM 249 CA ARG A 17 81.496 4.039 2.283 1.00 0.00 C ATOM 250 C ARG A 17 80.201 3.257 2.501 1.00 0.00 C ATOM 251 O ARG A 17 80.207 2.151 3.003 1.00 0.00 O ATOM 252 CB ARG A 17 82.441 3.862 3.472 1.00 0.00 C ATOM 253 CG ARG A 17 81.782 4.414 4.736 1.00 0.00 C ATOM 254 CD ARG A 17 82.702 5.456 5.377 1.00 0.00 C ATOM 255 NE ARG A 17 83.755 4.665 6.071 1.00 0.00 N ATOM 256 CZ ARG A 17 83.711 4.512 7.367 1.00 0.00 C ATOM 257 NH1 ARG A 17 83.706 5.558 8.147 1.00 0.00 N ATOM 258 NH2 ARG A 17 83.670 3.313 7.881 1.00 0.00 N ATOM 0 H ARG A 17 81.245 5.981 3.131 1.00 0.00 H new ATOM 0 HA ARG A 17 81.943 3.672 1.359 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.681 2.807 3.605 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.381 4.381 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.820 4.864 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.585 3.605 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 17 83.135 6.116 4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 17 82.156 6.087 6.078 1.00 0.00 H new ATOM 0 HE ARG A 17 84.512 4.242 5.534 1.00 0.00 H new ATOM 0 HH11 ARG A 17 83.736 6.495 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 17 83.672 5.439 9.159 1.00 0.00 H new ATOM 0 HH21 ARG A 17 83.672 2.496 7.270 1.00 0.00 H new ATOM 0 HH22 ARG A 17 83.636 3.193 8.893 1.00 0.00 H new ATOM 272 N THR A 18 79.085 3.828 2.130 1.00 0.00 N ATOM 273 CA THR A 18 77.788 3.116 2.323 1.00 0.00 C ATOM 274 C THR A 18 76.881 3.311 1.104 1.00 0.00 C ATOM 275 O THR A 18 76.962 4.302 0.406 1.00 0.00 O ATOM 276 CB THR A 18 77.166 3.763 3.561 1.00 0.00 C ATOM 277 OG1 THR A 18 78.050 3.617 4.663 1.00 0.00 O ATOM 278 CG2 THR A 18 75.833 3.084 3.879 1.00 0.00 C ATOM 0 H THR A 18 79.016 4.752 1.704 1.00 0.00 H new ATOM 0 HA THR A 18 77.924 2.041 2.444 1.00 0.00 H new ATOM 0 HB THR A 18 76.994 4.822 3.371 1.00 0.00 H new ATOM 0 HG1 THR A 18 77.571 3.208 5.414 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.391 3.546 4.762 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.156 3.197 3.032 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.001 2.024 4.070 1.00 0.00 H new ATOM 286 N LEU A 19 76.011 2.370 0.849 1.00 0.00 N ATOM 287 CA LEU A 19 75.089 2.495 -0.318 1.00 0.00 C ATOM 288 C LEU A 19 73.750 1.820 -0.008 1.00 0.00 C ATOM 289 O LEU A 19 73.646 1.003 0.885 1.00 0.00 O ATOM 290 CB LEU A 19 75.791 1.790 -1.484 1.00 0.00 C ATOM 291 CG LEU A 19 76.378 0.452 -1.030 1.00 0.00 C ATOM 292 CD1 LEU A 19 75.430 -0.680 -1.431 1.00 0.00 C ATOM 293 CD2 LEU A 19 77.734 0.239 -1.708 1.00 0.00 C ATOM 0 H LEU A 19 75.899 1.519 1.399 1.00 0.00 H new ATOM 0 HA LEU A 19 74.876 3.537 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.083 1.626 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.584 2.427 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 19 76.505 0.457 0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 19 75.846 -1.634 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 19 74.461 -0.528 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 19 75.307 -0.685 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 19 78.156 -0.714 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 19 77.603 0.231 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 19 78.411 1.047 -1.430 1.00 0.00 H new ATOM 305 N LEU A 20 72.726 2.164 -0.737 1.00 0.00 N ATOM 306 CA LEU A 20 71.387 1.552 -0.488 1.00 0.00 C ATOM 307 C LEU A 20 71.077 0.488 -1.546 1.00 0.00 C ATOM 308 O LEU A 20 71.073 0.761 -2.729 1.00 0.00 O ATOM 309 CB LEU A 20 70.397 2.715 -0.600 1.00 0.00 C ATOM 310 CG LEU A 20 69.032 2.281 -0.065 1.00 0.00 C ATOM 311 CD1 LEU A 20 68.400 1.277 -1.030 1.00 0.00 C ATOM 312 CD2 LEU A 20 69.206 1.628 1.308 1.00 0.00 C ATOM 0 H LEU A 20 72.756 2.844 -1.497 1.00 0.00 H new ATOM 0 HA LEU A 20 71.337 1.057 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.763 3.573 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.308 3.031 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 20 68.385 3.153 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 67.427 0.968 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 20 68.275 1.742 -2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.047 0.405 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 20 68.233 1.319 1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 20 69.854 0.756 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 20 69.655 2.343 1.997 1.00 0.00 H new ATOM 324 N ALA A 21 70.805 -0.720 -1.129 1.00 0.00 N ATOM 325 CA ALA A 21 70.484 -1.792 -2.116 1.00 0.00 C ATOM 326 C ALA A 21 68.989 -1.762 -2.441 1.00 0.00 C ATOM 327 O ALA A 21 68.157 -1.643 -1.563 1.00 0.00 O ATOM 328 CB ALA A 21 70.858 -3.100 -1.418 1.00 0.00 C ATOM 0 H ALA A 21 70.791 -1.010 -0.151 1.00 0.00 H new ATOM 0 HA ALA A 21 71.021 -1.670 -3.057 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.650 -3.939 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 21 71.919 -3.089 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.272 -3.206 -0.505 1.00 0.00 H new ATOM 334 N LYS A 22 68.636 -1.861 -3.694 1.00 0.00 N ATOM 335 CA LYS A 22 67.191 -1.828 -4.059 1.00 0.00 C ATOM 336 C LYS A 22 66.859 -2.946 -5.048 1.00 0.00 C ATOM 337 O LYS A 22 67.705 -3.731 -5.426 1.00 0.00 O ATOM 338 CB LYS A 22 66.981 -0.462 -4.713 1.00 0.00 C ATOM 339 CG LYS A 22 65.656 0.134 -4.239 1.00 0.00 C ATOM 340 CD LYS A 22 65.324 1.373 -5.073 1.00 0.00 C ATOM 341 CE LYS A 22 65.747 2.630 -4.310 1.00 0.00 C ATOM 342 NZ LYS A 22 64.475 3.349 -4.019 1.00 0.00 N ATOM 0 H LYS A 22 69.282 -1.963 -4.477 1.00 0.00 H new ATOM 0 HA LYS A 22 66.548 -1.975 -3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 22 67.804 0.205 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 22 66.978 -0.563 -5.798 1.00 0.00 H new ATOM 0 HG2 LYS A 22 64.859 -0.604 -4.332 1.00 0.00 H new ATOM 0 HG3 LYS A 22 65.722 0.400 -3.184 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.838 1.327 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.255 1.406 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 22 66.276 2.375 -3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 22 66.421 3.245 -4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 64.682 4.224 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.997 3.584 -4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.856 2.741 -3.445 1.00 0.00 H new ATOM 356 N ASN A 23 65.628 -3.019 -5.469 1.00 0.00 N ATOM 357 CA ASN A 23 65.225 -4.080 -6.437 1.00 0.00 C ATOM 358 C ASN A 23 65.599 -5.464 -5.901 1.00 0.00 C ATOM 359 O ASN A 23 65.968 -6.349 -6.648 1.00 0.00 O ATOM 360 CB ASN A 23 66.009 -3.772 -7.713 1.00 0.00 C ATOM 361 CG ASN A 23 65.330 -4.450 -8.905 1.00 0.00 C ATOM 362 OD1 ASN A 23 64.125 -4.395 -9.043 1.00 0.00 O ATOM 363 ND2 ASN A 23 66.059 -5.091 -9.777 1.00 0.00 N ATOM 0 H ASN A 23 64.879 -2.388 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 23 64.149 -4.089 -6.609 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.057 -2.695 -7.872 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.036 -4.125 -7.616 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.617 -5.546 -10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 23 67.071 -5.137 -9.660 1.00 0.00 H new ATOM 370 N LEU A 24 65.504 -5.663 -4.615 1.00 0.00 N ATOM 371 CA LEU A 24 65.852 -6.995 -4.043 1.00 0.00 C ATOM 372 C LEU A 24 64.615 -7.897 -4.031 1.00 0.00 C ATOM 373 O LEU A 24 63.662 -7.669 -4.749 1.00 0.00 O ATOM 374 CB LEU A 24 66.321 -6.707 -2.618 1.00 0.00 C ATOM 375 CG LEU A 24 67.673 -5.996 -2.659 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.726 -4.934 -1.560 1.00 0.00 C ATOM 377 CD2 LEU A 24 68.792 -7.017 -2.434 1.00 0.00 C ATOM 0 H LEU A 24 65.201 -4.963 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 24 66.618 -7.509 -4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.588 -6.087 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.405 -7.637 -2.056 1.00 0.00 H new ATOM 0 HG LEU A 24 67.803 -5.520 -3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.691 -4.427 -1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.929 -4.207 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.596 -5.410 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 24 69.757 -6.511 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 24 68.661 -7.493 -1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 24 68.756 -7.775 -3.217 1.00 0.00 H new ATOM 389 N SER A 25 64.623 -8.918 -3.221 1.00 0.00 N ATOM 390 CA SER A 25 63.447 -9.831 -3.164 1.00 0.00 C ATOM 391 C SER A 25 62.617 -9.540 -1.911 1.00 0.00 C ATOM 392 O SER A 25 62.777 -8.519 -1.272 1.00 0.00 O ATOM 393 CB SER A 25 64.042 -11.240 -3.110 1.00 0.00 C ATOM 394 OG SER A 25 63.666 -11.869 -1.890 1.00 0.00 O ATOM 0 H SER A 25 65.392 -9.160 -2.596 1.00 0.00 H new ATOM 0 HA SER A 25 62.781 -9.708 -4.018 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.690 -11.828 -3.958 1.00 0.00 H new ATOM 0 HB3 SER A 25 65.128 -11.190 -3.186 1.00 0.00 H new ATOM 0 HG SER A 25 64.046 -12.772 -1.857 1.00 0.00 H new ATOM 400 N PHE A 26 61.730 -10.427 -1.558 1.00 0.00 N ATOM 401 CA PHE A 26 60.890 -10.200 -0.353 1.00 0.00 C ATOM 402 C PHE A 26 61.392 -11.056 0.813 1.00 0.00 C ATOM 403 O PHE A 26 60.939 -10.926 1.933 1.00 0.00 O ATOM 404 CB PHE A 26 59.493 -10.639 -0.778 1.00 0.00 C ATOM 405 CG PHE A 26 58.649 -9.422 -1.069 1.00 0.00 C ATOM 406 CD1 PHE A 26 59.181 -8.366 -1.817 1.00 0.00 C ATOM 407 CD2 PHE A 26 57.334 -9.350 -0.591 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.399 -7.236 -2.087 1.00 0.00 C ATOM 409 CE2 PHE A 26 56.552 -8.222 -0.863 1.00 0.00 C ATOM 410 CZ PHE A 26 57.084 -7.164 -1.611 1.00 0.00 C ATOM 0 H PHE A 26 61.551 -11.300 -2.054 1.00 0.00 H new ATOM 0 HA PHE A 26 60.914 -9.165 -0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.553 -11.273 -1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.032 -11.234 0.010 1.00 0.00 H new ATOM 0 HD1 PHE A 26 60.194 -8.422 -2.186 1.00 0.00 H new ATOM 0 HD2 PHE A 26 56.924 -10.165 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.810 -6.420 -2.662 1.00 0.00 H new ATOM 0 HE2 PHE A 26 55.538 -8.167 -0.496 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.480 -6.293 -1.821 1.00 0.00 H new ATOM 420 N ASN A 27 62.326 -11.932 0.558 1.00 0.00 N ATOM 421 CA ASN A 27 62.853 -12.795 1.646 1.00 0.00 C ATOM 422 C ASN A 27 64.356 -12.568 1.832 1.00 0.00 C ATOM 423 O ASN A 27 64.904 -12.821 2.887 1.00 0.00 O ATOM 424 CB ASN A 27 62.578 -14.227 1.186 1.00 0.00 C ATOM 425 CG ASN A 27 62.947 -15.202 2.306 1.00 0.00 C ATOM 426 OD1 ASN A 27 62.965 -14.836 3.464 1.00 0.00 O ATOM 427 ND2 ASN A 27 63.244 -16.437 2.007 1.00 0.00 N ATOM 0 H ASN A 27 62.745 -12.085 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 27 62.383 -12.577 2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.526 -14.340 0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.157 -14.450 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 27 63.491 -17.095 2.746 1.00 0.00 H new ATOM 0 HD22 ASN A 27 63.229 -16.744 1.034 1.00 0.00 H new ATOM 434 N ILE A 28 65.029 -12.096 0.817 1.00 0.00 N ATOM 435 CA ILE A 28 66.492 -11.859 0.940 1.00 0.00 C ATOM 436 C ILE A 28 66.801 -11.056 2.202 1.00 0.00 C ATOM 437 O ILE A 28 66.117 -10.109 2.534 1.00 0.00 O ATOM 438 CB ILE A 28 66.862 -11.060 -0.301 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.255 -10.460 -0.127 1.00 0.00 C ATOM 440 CG2 ILE A 28 65.846 -9.936 -0.510 1.00 0.00 C ATOM 441 CD1 ILE A 28 68.998 -10.539 -1.457 1.00 0.00 C ATOM 0 H ILE A 28 64.627 -11.865 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 28 67.054 -12.790 1.015 1.00 0.00 H new ATOM 0 HB ILE A 28 66.857 -11.720 -1.169 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.180 -9.423 0.202 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.804 -11.000 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.113 -9.365 -1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 28 64.852 -10.364 -0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 28 65.848 -9.277 0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 28 69.995 -10.113 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 28 69.082 -11.581 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.449 -9.980 -2.214 1.00 0.00 H new ATOM 453 N THR A 29 67.824 -11.437 2.909 1.00 0.00 N ATOM 454 CA THR A 29 68.181 -10.707 4.156 1.00 0.00 C ATOM 455 C THR A 29 69.641 -10.247 4.117 1.00 0.00 C ATOM 456 O THR A 29 70.346 -10.409 3.127 1.00 0.00 O ATOM 457 CB THR A 29 68.001 -11.743 5.262 1.00 0.00 C ATOM 458 OG1 THR A 29 68.988 -12.756 5.106 1.00 0.00 O ATOM 459 CG2 THR A 29 66.606 -12.364 5.164 1.00 0.00 C ATOM 0 H THR A 29 68.431 -12.224 2.678 1.00 0.00 H new ATOM 0 HA THR A 29 67.570 -9.816 4.298 1.00 0.00 H new ATOM 0 HB THR A 29 68.110 -11.267 6.237 1.00 0.00 H new ATOM 0 HG1 THR A 29 69.410 -12.938 5.972 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.480 -13.103 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.852 -11.584 5.273 1.00 0.00 H new ATOM 0 HG23 THR A 29 66.490 -12.847 4.194 1.00 0.00 H new ATOM 467 N GLU A 30 70.112 -9.698 5.205 1.00 0.00 N ATOM 468 CA GLU A 30 71.528 -9.262 5.248 1.00 0.00 C ATOM 469 C GLU A 30 72.402 -10.456 4.881 1.00 0.00 C ATOM 470 O GLU A 30 73.534 -10.313 4.473 1.00 0.00 O ATOM 471 CB GLU A 30 71.778 -8.824 6.691 1.00 0.00 C ATOM 472 CG GLU A 30 73.282 -8.673 6.926 1.00 0.00 C ATOM 473 CD GLU A 30 73.551 -8.497 8.421 1.00 0.00 C ATOM 474 OE1 GLU A 30 72.593 -8.385 9.166 1.00 0.00 O ATOM 475 OE2 GLU A 30 74.713 -8.476 8.796 1.00 0.00 O ATOM 0 H GLU A 30 69.577 -9.535 6.058 1.00 0.00 H new ATOM 0 HA GLU A 30 71.752 -8.450 4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 30 71.272 -7.879 6.888 1.00 0.00 H new ATOM 0 HB3 GLU A 30 71.363 -9.558 7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 30 73.809 -9.551 6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 30 73.662 -7.814 6.374 1.00 0.00 H new ATOM 482 N ASP A 31 71.864 -11.643 5.010 1.00 0.00 N ATOM 483 CA ASP A 31 72.641 -12.857 4.651 1.00 0.00 C ATOM 484 C ASP A 31 72.973 -12.813 3.163 1.00 0.00 C ATOM 485 O ASP A 31 74.120 -12.906 2.768 1.00 0.00 O ATOM 486 CB ASP A 31 71.716 -14.033 4.966 1.00 0.00 C ATOM 487 CG ASP A 31 71.607 -14.206 6.482 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.463 -14.868 7.046 1.00 0.00 O ATOM 489 OD2 ASP A 31 70.671 -13.672 7.054 1.00 0.00 O ATOM 0 H ASP A 31 70.918 -11.819 5.349 1.00 0.00 H new ATOM 0 HA ASP A 31 73.581 -12.937 5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 31 70.729 -13.858 4.538 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.103 -14.945 4.512 1.00 0.00 H new ATOM 494 N GLU A 32 71.982 -12.649 2.328 1.00 0.00 N ATOM 495 CA GLU A 32 72.277 -12.577 0.866 1.00 0.00 C ATOM 496 C GLU A 32 73.023 -11.278 0.594 1.00 0.00 C ATOM 497 O GLU A 32 73.955 -11.226 -0.191 1.00 0.00 O ATOM 498 CB GLU A 32 70.944 -12.580 0.104 1.00 0.00 C ATOM 499 CG GLU A 32 69.870 -13.349 0.871 1.00 0.00 C ATOM 500 CD GLU A 32 70.451 -14.620 1.483 1.00 0.00 C ATOM 501 OE1 GLU A 32 71.207 -15.295 0.805 1.00 0.00 O ATOM 502 OE2 GLU A 32 70.123 -14.893 2.625 1.00 0.00 O ATOM 0 H GLU A 32 70.999 -12.563 2.587 1.00 0.00 H new ATOM 0 HA GLU A 32 72.884 -13.424 0.545 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.613 -11.554 -0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.085 -13.030 -0.879 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.455 -12.718 1.657 1.00 0.00 H new ATOM 0 HG3 GLU A 32 69.050 -13.604 0.200 1.00 0.00 H new ATOM 509 N LEU A 33 72.636 -10.228 1.263 1.00 0.00 N ATOM 510 CA LEU A 33 73.339 -8.937 1.064 1.00 0.00 C ATOM 511 C LEU A 33 74.752 -9.085 1.603 1.00 0.00 C ATOM 512 O LEU A 33 75.675 -8.428 1.166 1.00 0.00 O ATOM 513 CB LEU A 33 72.551 -7.910 1.871 1.00 0.00 C ATOM 514 CG LEU A 33 71.172 -7.711 1.240 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.148 -7.405 2.334 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.228 -6.541 0.256 1.00 0.00 C ATOM 0 H LEU A 33 71.868 -10.210 1.934 1.00 0.00 H new ATOM 0 HA LEU A 33 73.401 -8.635 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.445 -8.246 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.090 -6.963 1.898 1.00 0.00 H new ATOM 0 HG LEU A 33 70.880 -8.619 0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.166 -7.263 1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.108 -8.236 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.440 -6.497 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.246 -6.397 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.520 -5.634 0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 33 71.958 -6.757 -0.525 1.00 0.00 H new ATOM 528 N LYS A 34 74.925 -9.971 2.543 1.00 0.00 N ATOM 529 CA LYS A 34 76.274 -10.198 3.108 1.00 0.00 C ATOM 530 C LYS A 34 77.041 -11.126 2.179 1.00 0.00 C ATOM 531 O LYS A 34 78.251 -11.074 2.074 1.00 0.00 O ATOM 532 CB LYS A 34 76.044 -10.853 4.471 1.00 0.00 C ATOM 533 CG LYS A 34 77.338 -11.520 4.944 1.00 0.00 C ATOM 534 CD LYS A 34 77.344 -11.598 6.472 1.00 0.00 C ATOM 535 CE LYS A 34 78.368 -12.639 6.928 1.00 0.00 C ATOM 536 NZ LYS A 34 79.048 -12.021 8.101 1.00 0.00 N ATOM 0 H LYS A 34 74.184 -10.547 2.943 1.00 0.00 H new ATOM 0 HA LYS A 34 76.852 -9.280 3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.722 -10.105 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.246 -11.592 4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.421 -12.520 4.518 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.201 -10.952 4.595 1.00 0.00 H new ATOM 0 HD2 LYS A 34 77.588 -10.624 6.895 1.00 0.00 H new ATOM 0 HD3 LYS A 34 76.352 -11.865 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.883 -13.576 7.201 1.00 0.00 H new ATOM 0 HE3 LYS A 34 79.079 -12.867 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.766 -12.676 8.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.506 -11.134 7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 78.347 -11.821 8.843 1.00 0.00 H new ATOM 550 N GLU A 35 76.328 -11.962 1.487 1.00 0.00 N ATOM 551 CA GLU A 35 76.975 -12.895 0.534 1.00 0.00 C ATOM 552 C GLU A 35 77.388 -12.120 -0.717 1.00 0.00 C ATOM 553 O GLU A 35 78.374 -12.426 -1.357 1.00 0.00 O ATOM 554 CB GLU A 35 75.905 -13.935 0.199 1.00 0.00 C ATOM 555 CG GLU A 35 76.519 -15.335 0.248 1.00 0.00 C ATOM 556 CD GLU A 35 75.425 -16.362 0.544 1.00 0.00 C ATOM 557 OE1 GLU A 35 74.613 -16.603 -0.333 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.419 -16.891 1.644 1.00 0.00 O ATOM 0 H GLU A 35 75.312 -12.039 1.542 1.00 0.00 H new ATOM 0 HA GLU A 35 77.869 -13.366 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.080 -13.864 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.493 -13.742 -0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.001 -15.565 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 35 77.291 -15.378 1.016 1.00 0.00 H new ATOM 565 N VAL A 36 76.641 -11.104 -1.057 1.00 0.00 N ATOM 566 CA VAL A 36 76.990 -10.291 -2.254 1.00 0.00 C ATOM 567 C VAL A 36 77.960 -9.181 -1.848 1.00 0.00 C ATOM 568 O VAL A 36 78.942 -8.922 -2.515 1.00 0.00 O ATOM 569 CB VAL A 36 75.666 -9.700 -2.737 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.941 -8.532 -3.687 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.868 -10.777 -3.476 1.00 0.00 C ATOM 0 H VAL A 36 75.805 -10.803 -0.557 1.00 0.00 H new ATOM 0 HA VAL A 36 77.473 -10.878 -3.035 1.00 0.00 H new ATOM 0 HB VAL A 36 75.095 -9.344 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.996 -8.112 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.511 -7.764 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.513 -8.887 -4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.923 -10.357 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.442 -11.132 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.670 -11.610 -2.802 1.00 0.00 H new ATOM 581 N PHE A 37 77.691 -8.528 -0.751 1.00 0.00 N ATOM 582 CA PHE A 37 78.586 -7.441 -0.292 1.00 0.00 C ATOM 583 C PHE A 37 79.607 -7.984 0.712 1.00 0.00 C ATOM 584 O PHE A 37 79.895 -7.365 1.717 1.00 0.00 O ATOM 585 CB PHE A 37 77.650 -6.443 0.383 1.00 0.00 C ATOM 586 CG PHE A 37 76.643 -5.934 -0.619 1.00 0.00 C ATOM 587 CD1 PHE A 37 77.078 -5.328 -1.803 1.00 0.00 C ATOM 588 CD2 PHE A 37 75.273 -6.070 -0.364 1.00 0.00 C ATOM 589 CE1 PHE A 37 76.143 -4.858 -2.733 1.00 0.00 C ATOM 590 CE2 PHE A 37 74.339 -5.598 -1.293 1.00 0.00 C ATOM 591 CZ PHE A 37 74.774 -4.992 -2.477 1.00 0.00 C ATOM 0 H PHE A 37 76.884 -8.705 -0.153 1.00 0.00 H new ATOM 0 HA PHE A 37 79.155 -6.992 -1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.137 -6.918 1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.223 -5.611 0.792 1.00 0.00 H new ATOM 0 HD1 PHE A 37 78.135 -5.223 -1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 37 74.937 -6.539 0.549 1.00 0.00 H new ATOM 0 HE1 PHE A 37 76.478 -4.392 -3.648 1.00 0.00 H new ATOM 0 HE2 PHE A 37 73.282 -5.701 -1.096 1.00 0.00 H new ATOM 0 HZ PHE A 37 74.053 -4.628 -3.193 1.00 0.00 H new ATOM 601 N GLU A 38 80.150 -9.141 0.451 1.00 0.00 N ATOM 602 CA GLU A 38 81.146 -9.730 1.392 1.00 0.00 C ATOM 603 C GLU A 38 82.355 -8.801 1.547 1.00 0.00 C ATOM 604 O GLU A 38 83.172 -8.975 2.430 1.00 0.00 O ATOM 605 CB GLU A 38 81.566 -11.049 0.746 1.00 0.00 C ATOM 606 CG GLU A 38 81.918 -12.063 1.837 1.00 0.00 C ATOM 607 CD GLU A 38 82.890 -13.102 1.273 1.00 0.00 C ATOM 608 OE1 GLU A 38 83.265 -12.968 0.120 1.00 0.00 O ATOM 609 OE2 GLU A 38 83.242 -14.013 2.004 1.00 0.00 O ATOM 0 H GLU A 38 79.947 -9.705 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 38 80.731 -9.874 2.390 1.00 0.00 H new ATOM 0 HB2 GLU A 38 80.759 -11.434 0.123 1.00 0.00 H new ATOM 0 HB3 GLU A 38 82.424 -10.889 0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 38 82.367 -11.554 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 38 81.014 -12.553 2.198 1.00 0.00 H new ATOM 616 N ASP A 39 82.478 -7.818 0.698 1.00 0.00 N ATOM 617 CA ASP A 39 83.638 -6.886 0.803 1.00 0.00 C ATOM 618 C ASP A 39 83.282 -5.679 1.674 1.00 0.00 C ATOM 619 O ASP A 39 84.114 -4.840 1.956 1.00 0.00 O ATOM 620 CB ASP A 39 83.922 -6.445 -0.633 1.00 0.00 C ATOM 621 CG ASP A 39 85.312 -5.808 -0.706 1.00 0.00 C ATOM 622 OD1 ASP A 39 85.963 -5.735 0.322 1.00 0.00 O ATOM 623 OD2 ASP A 39 85.700 -5.403 -1.790 1.00 0.00 O ATOM 0 H ASP A 39 81.828 -7.619 -0.062 1.00 0.00 H new ATOM 0 HA ASP A 39 84.503 -7.361 1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.867 -7.301 -1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.166 -5.732 -0.962 1.00 0.00 H new ATOM 628 N ALA A 40 82.054 -5.582 2.105 1.00 0.00 N ATOM 629 CA ALA A 40 81.658 -4.424 2.955 1.00 0.00 C ATOM 630 C ALA A 40 81.694 -4.812 4.437 1.00 0.00 C ATOM 631 O ALA A 40 82.291 -5.800 4.816 1.00 0.00 O ATOM 632 CB ALA A 40 80.231 -4.085 2.522 1.00 0.00 C ATOM 0 H ALA A 40 81.311 -6.252 1.906 1.00 0.00 H new ATOM 0 HA ALA A 40 82.333 -3.576 2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.866 -3.239 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.224 -3.828 1.463 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.585 -4.947 2.690 1.00 0.00 H new ATOM 638 N LEU A 41 81.056 -4.041 5.276 1.00 0.00 N ATOM 639 CA LEU A 41 81.047 -4.363 6.728 1.00 0.00 C ATOM 640 C LEU A 41 79.758 -5.092 7.084 1.00 0.00 C ATOM 641 O LEU A 41 79.751 -6.039 7.847 1.00 0.00 O ATOM 642 CB LEU A 41 81.088 -3.019 7.465 1.00 0.00 C ATOM 643 CG LEU A 41 81.962 -2.019 6.713 1.00 0.00 C ATOM 644 CD1 LEU A 41 81.809 -0.637 7.350 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.422 -2.464 6.791 1.00 0.00 C ATOM 0 H LEU A 41 80.540 -3.201 5.016 1.00 0.00 H new ATOM 0 HA LEU A 41 81.889 -4.999 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.078 -2.623 7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.476 -3.163 8.473 1.00 0.00 H new ATOM 0 HG LEU A 41 81.655 -1.972 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 41 82.432 0.081 6.816 1.00 0.00 H new ATOM 0 HD12 LEU A 41 80.766 -0.324 7.295 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.120 -0.681 8.394 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.049 -1.751 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.734 -2.508 7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 41 83.526 -3.451 6.340 1.00 0.00 H new ATOM 657 N GLU A 42 78.664 -4.642 6.544 1.00 0.00 N ATOM 658 CA GLU A 42 77.359 -5.289 6.852 1.00 0.00 C ATOM 659 C GLU A 42 76.240 -4.629 6.047 1.00 0.00 C ATOM 660 O GLU A 42 76.419 -3.581 5.459 1.00 0.00 O ATOM 661 CB GLU A 42 77.160 -5.057 8.352 1.00 0.00 C ATOM 662 CG GLU A 42 76.741 -3.606 8.600 1.00 0.00 C ATOM 663 CD GLU A 42 77.074 -3.216 10.041 1.00 0.00 C ATOM 664 OE1 GLU A 42 78.191 -2.784 10.274 1.00 0.00 O ATOM 665 OE2 GLU A 42 76.206 -3.356 10.887 1.00 0.00 O ATOM 0 H GLU A 42 78.615 -3.852 5.901 1.00 0.00 H new ATOM 0 HA GLU A 42 77.344 -6.348 6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 42 76.399 -5.736 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 42 78.083 -5.276 8.889 1.00 0.00 H new ATOM 0 HG2 GLU A 42 77.257 -2.944 7.905 1.00 0.00 H new ATOM 0 HG3 GLU A 42 75.673 -3.489 8.418 1.00 0.00 H new ATOM 672 N ILE A 43 75.089 -5.237 6.012 1.00 0.00 N ATOM 673 CA ILE A 43 73.962 -4.643 5.240 1.00 0.00 C ATOM 674 C ILE A 43 72.672 -4.649 6.064 1.00 0.00 C ATOM 675 O ILE A 43 72.462 -5.495 6.910 1.00 0.00 O ATOM 676 CB ILE A 43 73.810 -5.540 4.011 1.00 0.00 C ATOM 677 CG1 ILE A 43 74.914 -5.218 3.003 1.00 0.00 C ATOM 678 CG2 ILE A 43 72.444 -5.303 3.362 1.00 0.00 C ATOM 679 CD1 ILE A 43 76.105 -6.150 3.232 1.00 0.00 C ATOM 0 H ILE A 43 74.879 -6.117 6.483 1.00 0.00 H new ATOM 0 HA ILE A 43 74.157 -3.604 4.974 1.00 0.00 H new ATOM 0 HB ILE A 43 73.888 -6.583 4.317 1.00 0.00 H new ATOM 0 HG12 ILE A 43 74.538 -5.335 1.987 1.00 0.00 H new ATOM 0 HG13 ILE A 43 75.226 -4.179 3.110 1.00 0.00 H new ATOM 0 HG21 ILE A 43 72.341 -5.944 2.487 1.00 0.00 H new ATOM 0 HG22 ILE A 43 71.656 -5.536 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 43 72.361 -4.259 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.891 -5.919 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 43 76.486 -6.011 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 43 75.787 -7.185 3.103 1.00 0.00 H new ATOM 691 N ARG A 44 71.805 -3.717 5.797 1.00 0.00 N ATOM 692 CA ARG A 44 70.510 -3.653 6.527 1.00 0.00 C ATOM 693 C ARG A 44 69.369 -3.900 5.539 1.00 0.00 C ATOM 694 O ARG A 44 69.555 -3.827 4.340 1.00 0.00 O ATOM 695 CB ARG A 44 70.446 -2.234 7.092 1.00 0.00 C ATOM 696 CG ARG A 44 70.975 -2.231 8.527 1.00 0.00 C ATOM 697 CD ARG A 44 70.845 -0.825 9.118 1.00 0.00 C ATOM 698 NE ARG A 44 69.917 -0.977 10.271 1.00 0.00 N ATOM 699 CZ ARG A 44 69.202 0.040 10.671 1.00 0.00 C ATOM 700 NH1 ARG A 44 69.492 1.243 10.259 1.00 0.00 N ATOM 701 NH2 ARG A 44 68.199 -0.148 11.484 1.00 0.00 N ATOM 0 H ARG A 44 71.939 -2.988 5.096 1.00 0.00 H new ATOM 0 HA ARG A 44 70.425 -4.399 7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.037 -1.558 6.474 1.00 0.00 H new ATOM 0 HB3 ARG A 44 69.419 -1.869 7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 44 70.416 -2.944 9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 44 72.018 -2.548 8.542 1.00 0.00 H new ATOM 0 HD2 ARG A 44 71.813 -0.440 9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 44 70.450 -0.123 8.384 1.00 0.00 H new ATOM 0 HE ARG A 44 69.839 -1.875 10.749 1.00 0.00 H new ATOM 0 HH11 ARG A 44 70.277 1.389 9.624 1.00 0.00 H new ATOM 0 HH12 ARG A 44 68.934 2.037 10.571 1.00 0.00 H new ATOM 0 HH21 ARG A 44 67.974 -1.089 11.807 1.00 0.00 H new ATOM 0 HH22 ARG A 44 67.640 0.646 11.797 1.00 0.00 H new ATOM 715 N LEU A 45 68.193 -4.193 6.018 1.00 0.00 N ATOM 716 CA LEU A 45 67.062 -4.448 5.083 1.00 0.00 C ATOM 717 C LEU A 45 66.098 -3.264 5.086 1.00 0.00 C ATOM 718 O LEU A 45 66.082 -2.464 6.001 1.00 0.00 O ATOM 719 CB LEU A 45 66.373 -5.703 5.617 1.00 0.00 C ATOM 720 CG LEU A 45 66.266 -6.742 4.499 1.00 0.00 C ATOM 721 CD1 LEU A 45 65.385 -7.900 4.963 1.00 0.00 C ATOM 722 CD2 LEU A 45 65.644 -6.097 3.258 1.00 0.00 C ATOM 0 H LEU A 45 67.966 -4.267 7.010 1.00 0.00 H new ATOM 0 HA LEU A 45 67.401 -4.580 4.055 1.00 0.00 H new ATOM 0 HB2 LEU A 45 66.938 -6.112 6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 45 65.381 -5.454 5.993 1.00 0.00 H new ATOM 0 HG LEU A 45 67.261 -7.115 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.308 -8.641 4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 45 65.826 -8.361 5.847 1.00 0.00 H new ATOM 0 HD13 LEU A 45 64.391 -7.526 5.207 1.00 0.00 H new ATOM 0 HD21 LEU A 45 65.568 -6.838 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 45 64.649 -5.723 3.502 1.00 0.00 H new ATOM 0 HD23 LEU A 45 66.271 -5.270 2.925 1.00 0.00 H new ATOM 734 N VAL A 46 65.299 -3.140 4.065 1.00 0.00 N ATOM 735 CA VAL A 46 64.346 -2.004 4.007 1.00 0.00 C ATOM 736 C VAL A 46 63.149 -2.348 3.114 1.00 0.00 C ATOM 737 O VAL A 46 63.296 -2.877 2.021 1.00 0.00 O ATOM 738 CB VAL A 46 65.157 -0.854 3.421 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.226 0.313 3.101 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.207 -0.411 4.443 1.00 0.00 C ATOM 0 H VAL A 46 65.266 -3.777 3.269 1.00 0.00 H new ATOM 0 HA VAL A 46 63.932 -1.756 4.984 1.00 0.00 H new ATOM 0 HB VAL A 46 65.652 -1.179 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 46 64.805 1.136 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 46 63.476 -0.008 2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 46 63.732 0.645 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.791 0.412 4.031 1.00 0.00 H new ATOM 0 HG22 VAL A 46 65.710 -0.082 5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 46 66.868 -1.247 4.671 1.00 0.00 H new ATOM 750 N SER A 47 61.966 -2.055 3.583 1.00 0.00 N ATOM 751 CA SER A 47 60.742 -2.357 2.792 1.00 0.00 C ATOM 752 C SER A 47 59.936 -1.078 2.551 1.00 0.00 C ATOM 753 O SER A 47 60.488 -0.019 2.327 1.00 0.00 O ATOM 754 CB SER A 47 59.951 -3.331 3.663 1.00 0.00 C ATOM 755 OG SER A 47 60.831 -3.954 4.590 1.00 0.00 O ATOM 0 H SER A 47 61.796 -1.616 4.488 1.00 0.00 H new ATOM 0 HA SER A 47 60.973 -2.773 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.160 -2.802 4.194 1.00 0.00 H new ATOM 0 HB3 SER A 47 59.468 -4.084 3.040 1.00 0.00 H new ATOM 0 HG SER A 47 60.326 -4.578 5.152 1.00 0.00 H new ATOM 819 N SER A 52 57.624 -5.829 2.593 1.00 0.00 N ATOM 820 CA SER A 52 58.897 -6.040 1.846 1.00 0.00 C ATOM 821 C SER A 52 58.916 -5.193 0.575 1.00 0.00 C ATOM 822 O SER A 52 57.992 -5.212 -0.213 1.00 0.00 O ATOM 823 CB SER A 52 58.910 -7.521 1.494 1.00 0.00 C ATOM 824 OG SER A 52 60.243 -8.010 1.565 1.00 0.00 O ATOM 0 HA SER A 52 59.768 -5.750 2.434 1.00 0.00 H new ATOM 0 HB2 SER A 52 58.270 -8.075 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 52 58.508 -7.672 0.492 1.00 0.00 H new ATOM 0 HG SER A 52 60.294 -8.726 2.232 1.00 0.00 H new ATOM 830 N LYS A 53 59.965 -4.454 0.373 1.00 0.00 N ATOM 831 CA LYS A 53 60.055 -3.605 -0.848 1.00 0.00 C ATOM 832 C LYS A 53 61.331 -3.942 -1.621 1.00 0.00 C ATOM 833 O LYS A 53 61.563 -3.447 -2.705 1.00 0.00 O ATOM 834 CB LYS A 53 60.099 -2.166 -0.332 1.00 0.00 C ATOM 835 CG LYS A 53 59.700 -1.207 -1.455 1.00 0.00 C ATOM 836 CD LYS A 53 60.831 -0.206 -1.697 1.00 0.00 C ATOM 837 CE LYS A 53 60.346 0.898 -2.641 1.00 0.00 C ATOM 838 NZ LYS A 53 61.423 1.925 -2.615 1.00 0.00 N ATOM 0 H LYS A 53 60.768 -4.399 1.000 1.00 0.00 H new ATOM 0 HA LYS A 53 59.218 -3.762 -1.528 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.423 -2.052 0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.101 -1.927 0.025 1.00 0.00 H new ATOM 0 HG2 LYS A 53 59.493 -1.765 -2.368 1.00 0.00 H new ATOM 0 HG3 LYS A 53 58.784 -0.680 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 53 61.156 0.227 -0.751 1.00 0.00 H new ATOM 0 HD3 LYS A 53 61.694 -0.714 -2.128 1.00 0.00 H new ATOM 0 HE2 LYS A 53 60.190 0.515 -3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 53 59.395 1.314 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 61.164 2.716 -3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 61.545 2.276 -1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 62.314 1.502 -2.944 1.00 0.00 H new ATOM 852 N GLY A 54 62.157 -4.790 -1.071 1.00 0.00 N ATOM 853 CA GLY A 54 63.413 -5.169 -1.772 1.00 0.00 C ATOM 854 C GLY A 54 64.486 -4.105 -1.535 1.00 0.00 C ATOM 855 O GLY A 54 65.373 -3.922 -2.345 1.00 0.00 O ATOM 0 H GLY A 54 62.014 -5.236 -0.165 1.00 0.00 H new ATOM 0 HA2 GLY A 54 63.763 -6.136 -1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.225 -5.276 -2.840 1.00 0.00 H new ATOM 859 N ILE A 55 64.429 -3.402 -0.434 1.00 0.00 N ATOM 860 CA ILE A 55 65.466 -2.366 -0.173 1.00 0.00 C ATOM 861 C ILE A 55 66.390 -2.834 0.954 1.00 0.00 C ATOM 862 O ILE A 55 65.998 -3.604 1.806 1.00 0.00 O ATOM 863 CB ILE A 55 64.690 -1.114 0.236 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.505 -0.918 -0.713 1.00 0.00 C ATOM 865 CG2 ILE A 55 65.610 0.105 0.155 1.00 0.00 C ATOM 866 CD1 ILE A 55 64.017 -0.775 -2.146 1.00 0.00 C ATOM 0 H ILE A 55 63.716 -3.500 0.288 1.00 0.00 H new ATOM 0 HA ILE A 55 66.096 -2.175 -1.042 1.00 0.00 H new ATOM 0 HB ILE A 55 64.326 -1.229 1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 55 62.824 -1.766 -0.642 1.00 0.00 H new ATOM 0 HG13 ILE A 55 62.940 -0.031 -0.427 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.057 0.998 0.447 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.457 -0.033 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.972 0.220 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE A 55 63.173 -0.635 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 55 64.680 0.087 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 55 64.563 -1.675 -2.429 1.00 0.00 H new ATOM 878 N ALA A 56 67.616 -2.389 0.959 1.00 0.00 N ATOM 879 CA ALA A 56 68.558 -2.823 2.031 1.00 0.00 C ATOM 880 C ALA A 56 69.720 -1.832 2.138 1.00 0.00 C ATOM 881 O ALA A 56 70.245 -1.370 1.145 1.00 0.00 O ATOM 882 CB ALA A 56 69.064 -4.191 1.578 1.00 0.00 C ATOM 0 H ALA A 56 68.006 -1.746 0.270 1.00 0.00 H new ATOM 0 HA ALA A 56 68.083 -2.867 3.011 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.766 -4.582 2.315 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.222 -4.876 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.566 -4.093 0.616 1.00 0.00 H new ATOM 888 N TYR A 57 70.130 -1.505 3.333 1.00 0.00 N ATOM 889 CA TYR A 57 71.263 -0.547 3.487 1.00 0.00 C ATOM 890 C TYR A 57 72.591 -1.307 3.461 1.00 0.00 C ATOM 891 O TYR A 57 72.694 -2.409 3.960 1.00 0.00 O ATOM 892 CB TYR A 57 71.040 0.120 4.845 1.00 0.00 C ATOM 893 CG TYR A 57 70.693 1.574 4.637 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.689 2.488 4.271 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.374 2.011 4.810 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.366 3.836 4.077 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.050 3.358 4.616 1.00 0.00 C ATOM 898 CZ TYR A 57 70.046 4.271 4.251 1.00 0.00 C ATOM 899 OH TYR A 57 69.728 5.601 4.059 1.00 0.00 O ATOM 0 H TYR A 57 69.733 -1.857 4.204 1.00 0.00 H new ATOM 0 HA TYR A 57 71.302 0.188 2.683 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.237 -0.384 5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 57 71.937 0.033 5.457 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.707 2.152 4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 57 68.606 1.307 5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 57 72.134 4.540 3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.032 3.693 4.748 1.00 0.00 H new ATOM 0 HH TYR A 57 68.770 5.735 4.219 1.00 0.00 H new ATOM 909 N ILE A 58 73.607 -0.738 2.873 1.00 0.00 N ATOM 910 CA ILE A 58 74.918 -1.450 2.811 1.00 0.00 C ATOM 911 C ILE A 58 76.045 -0.550 3.329 1.00 0.00 C ATOM 912 O ILE A 58 76.119 0.618 3.004 1.00 0.00 O ATOM 913 CB ILE A 58 75.148 -1.775 1.326 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.811 -1.962 0.599 1.00 0.00 C ATOM 915 CG2 ILE A 58 75.963 -3.063 1.209 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.011 -3.072 1.277 1.00 0.00 C ATOM 0 H ILE A 58 73.589 0.183 2.435 1.00 0.00 H new ATOM 0 HA ILE A 58 74.911 -2.348 3.429 1.00 0.00 H new ATOM 0 HB ILE A 58 75.686 -0.945 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.244 -1.031 0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 58 73.986 -2.213 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.127 -3.295 0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 58 76.924 -2.932 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 58 75.419 -3.882 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.061 -3.204 0.759 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.577 -4.003 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 58 72.824 -2.803 2.316 1.00 0.00 H new ATOM 928 N GLU A 59 76.927 -1.091 4.124 1.00 0.00 N ATOM 929 CA GLU A 59 78.061 -0.275 4.657 1.00 0.00 C ATOM 930 C GLU A 59 79.380 -1.001 4.392 1.00 0.00 C ATOM 931 O GLU A 59 79.598 -2.096 4.872 1.00 0.00 O ATOM 932 CB GLU A 59 77.821 -0.161 6.167 1.00 0.00 C ATOM 933 CG GLU A 59 76.327 0.008 6.451 1.00 0.00 C ATOM 934 CD GLU A 59 76.118 1.195 7.393 1.00 0.00 C ATOM 935 OE1 GLU A 59 76.172 2.319 6.920 1.00 0.00 O ATOM 936 OE2 GLU A 59 75.906 0.961 8.572 1.00 0.00 O ATOM 0 H GLU A 59 76.913 -2.064 4.429 1.00 0.00 H new ATOM 0 HA GLU A 59 78.115 0.706 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.196 -1.052 6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 59 78.374 0.689 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 59 75.785 0.170 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 59 75.926 -0.901 6.900 1.00 0.00 H new ATOM 943 N PHE A 60 80.263 -0.412 3.634 1.00 0.00 N ATOM 944 CA PHE A 60 81.556 -1.095 3.356 1.00 0.00 C ATOM 945 C PHE A 60 82.671 -0.509 4.220 1.00 0.00 C ATOM 946 O PHE A 60 82.488 0.464 4.923 1.00 0.00 O ATOM 947 CB PHE A 60 81.846 -0.843 1.879 1.00 0.00 C ATOM 948 CG PHE A 60 80.772 -1.484 1.034 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.461 -0.995 1.076 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.088 -2.570 0.210 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.467 -1.591 0.292 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.093 -3.167 -0.575 1.00 0.00 C ATOM 953 CZ PHE A 60 78.783 -2.678 -0.533 1.00 0.00 C ATOM 0 H PHE A 60 80.147 0.503 3.199 1.00 0.00 H new ATOM 0 HA PHE A 60 81.502 -2.160 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 60 81.885 0.229 1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 60 82.822 -1.251 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.217 -0.158 1.713 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.099 -2.948 0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.456 -1.213 0.323 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.337 -4.004 -1.212 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.015 -3.139 -1.137 1.00 0.00 H new ATOM 963 N LYS A 61 83.825 -1.107 4.169 1.00 0.00 N ATOM 964 CA LYS A 61 84.968 -0.606 4.985 1.00 0.00 C ATOM 965 C LYS A 61 85.424 0.765 4.480 1.00 0.00 C ATOM 966 O LYS A 61 86.000 1.546 5.211 1.00 0.00 O ATOM 967 CB LYS A 61 86.075 -1.643 4.795 1.00 0.00 C ATOM 968 CG LYS A 61 87.297 -1.244 5.624 1.00 0.00 C ATOM 969 CD LYS A 61 86.862 -0.923 7.056 1.00 0.00 C ATOM 970 CE LYS A 61 88.075 -0.983 7.986 1.00 0.00 C ATOM 971 NZ LYS A 61 87.509 -0.912 9.361 1.00 0.00 N ATOM 0 H LYS A 61 84.029 -1.925 3.595 1.00 0.00 H new ATOM 0 HA LYS A 61 84.700 -0.482 6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 61 85.721 -2.628 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 61 86.345 -1.714 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 61 88.027 -2.053 5.628 1.00 0.00 H new ATOM 0 HG3 LYS A 61 87.785 -0.377 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 61 86.409 0.068 7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 61 86.104 -1.634 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.640 -1.903 7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 61 88.759 -0.155 7.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 88.281 -0.948 10.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 86.982 -0.022 9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 86.868 -1.716 9.514 1.00 0.00 H new ATOM 985 N SER A 62 85.171 1.061 3.237 1.00 0.00 N ATOM 986 CA SER A 62 85.592 2.382 2.686 1.00 0.00 C ATOM 987 C SER A 62 84.864 2.665 1.370 1.00 0.00 C ATOM 988 O SER A 62 84.278 1.785 0.771 1.00 0.00 O ATOM 989 CB SER A 62 87.097 2.258 2.449 1.00 0.00 C ATOM 990 OG SER A 62 87.594 1.127 3.153 1.00 0.00 O ATOM 0 H SER A 62 84.692 0.448 2.578 1.00 0.00 H new ATOM 0 HA SER A 62 85.354 3.202 3.363 1.00 0.00 H new ATOM 0 HB2 SER A 62 87.301 2.155 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.605 3.162 2.785 1.00 0.00 H new ATOM 0 HG SER A 62 87.449 0.319 2.618 1.00 0.00 H new ATOM 996 N GLU A 63 84.899 3.888 0.916 1.00 0.00 N ATOM 997 CA GLU A 63 84.210 4.227 -0.362 1.00 0.00 C ATOM 998 C GLU A 63 84.699 3.306 -1.482 1.00 0.00 C ATOM 999 O GLU A 63 83.932 2.867 -2.316 1.00 0.00 O ATOM 1000 CB GLU A 63 84.601 5.677 -0.652 1.00 0.00 C ATOM 1001 CG GLU A 63 83.857 6.607 0.307 1.00 0.00 C ATOM 1002 CD GLU A 63 84.857 7.540 0.993 1.00 0.00 C ATOM 1003 OE1 GLU A 63 85.468 7.114 1.960 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.995 8.665 0.541 1.00 0.00 O ATOM 0 H GLU A 63 85.374 4.666 1.374 1.00 0.00 H new ATOM 0 HA GLU A 63 83.129 4.103 -0.295 1.00 0.00 H new ATOM 0 HB2 GLU A 63 85.677 5.805 -0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 63 84.358 5.931 -1.684 1.00 0.00 H new ATOM 0 HG2 GLU A 63 83.115 7.190 -0.238 1.00 0.00 H new ATOM 0 HG3 GLU A 63 83.319 6.022 1.053 1.00 0.00 H new ATOM 1011 N ALA A 64 85.969 3.008 -1.507 1.00 0.00 N ATOM 1012 CA ALA A 64 86.500 2.115 -2.570 1.00 0.00 C ATOM 1013 C ALA A 64 85.845 0.740 -2.464 1.00 0.00 C ATOM 1014 O ALA A 64 85.537 0.109 -3.457 1.00 0.00 O ATOM 1015 CB ALA A 64 88.003 2.022 -2.302 1.00 0.00 C ATOM 0 H ALA A 64 86.660 3.345 -0.837 1.00 0.00 H new ATOM 0 HA ALA A 64 86.295 2.492 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.466 1.377 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.445 3.017 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.170 1.606 -1.309 1.00 0.00 H new ATOM 1021 N ASP A 65 85.613 0.276 -1.268 1.00 0.00 N ATOM 1022 CA ASP A 65 84.960 -1.050 -1.105 1.00 0.00 C ATOM 1023 C ASP A 65 83.502 -0.940 -1.547 1.00 0.00 C ATOM 1024 O ASP A 65 83.038 -1.682 -2.389 1.00 0.00 O ATOM 1025 CB ASP A 65 85.053 -1.363 0.389 1.00 0.00 C ATOM 1026 CG ASP A 65 86.377 -2.070 0.682 1.00 0.00 C ATOM 1027 OD1 ASP A 65 86.716 -2.980 -0.057 1.00 0.00 O ATOM 1028 OD2 ASP A 65 87.030 -1.690 1.640 1.00 0.00 O ATOM 0 H ASP A 65 85.847 0.757 -0.399 1.00 0.00 H new ATOM 0 HA ASP A 65 85.429 -1.833 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 65 84.984 -0.443 0.969 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.217 -1.994 0.692 1.00 0.00 H new ATOM 1033 N ALA A 66 82.784 -0.002 -0.994 1.00 0.00 N ATOM 1034 CA ALA A 66 81.360 0.177 -1.389 1.00 0.00 C ATOM 1035 C ALA A 66 81.274 0.573 -2.866 1.00 0.00 C ATOM 1036 O ALA A 66 80.343 0.215 -3.562 1.00 0.00 O ATOM 1037 CB ALA A 66 80.841 1.308 -0.502 1.00 0.00 C ATOM 0 H ALA A 66 83.123 0.648 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 66 80.777 -0.736 -1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.793 1.501 -0.734 1.00 0.00 H new ATOM 0 HB2 ALA A 66 80.934 1.021 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.425 2.210 -0.684 1.00 0.00 H new ATOM 1043 N GLU A 67 82.238 1.310 -3.350 1.00 0.00 N ATOM 1044 CA GLU A 67 82.211 1.729 -4.778 1.00 0.00 C ATOM 1045 C GLU A 67 82.647 0.569 -5.677 1.00 0.00 C ATOM 1046 O GLU A 67 82.000 0.250 -6.657 1.00 0.00 O ATOM 1047 CB GLU A 67 83.208 2.884 -4.870 1.00 0.00 C ATOM 1048 CG GLU A 67 83.455 3.230 -6.339 1.00 0.00 C ATOM 1049 CD GLU A 67 84.575 4.267 -6.439 1.00 0.00 C ATOM 1050 OE1 GLU A 67 84.893 4.865 -5.424 1.00 0.00 O ATOM 1051 OE2 GLU A 67 85.095 4.446 -7.528 1.00 0.00 O ATOM 0 H GLU A 67 83.043 1.639 -2.816 1.00 0.00 H new ATOM 0 HA GLU A 67 81.214 2.025 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 67 82.822 3.755 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 67 84.146 2.608 -4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 67 83.726 2.332 -6.894 1.00 0.00 H new ATOM 0 HG3 GLU A 67 82.543 3.620 -6.790 1.00 0.00 H new ATOM 1058 N LYS A 68 83.736 -0.072 -5.345 1.00 0.00 N ATOM 1059 CA LYS A 68 84.209 -1.211 -6.175 1.00 0.00 C ATOM 1060 C LYS A 68 83.124 -2.282 -6.224 1.00 0.00 C ATOM 1061 O LYS A 68 82.823 -2.831 -7.263 1.00 0.00 O ATOM 1062 CB LYS A 68 85.454 -1.738 -5.461 1.00 0.00 C ATOM 1063 CG LYS A 68 86.117 -2.816 -6.321 1.00 0.00 C ATOM 1064 CD LYS A 68 86.640 -2.189 -7.615 1.00 0.00 C ATOM 1065 CE LYS A 68 87.729 -3.082 -8.213 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.934 -2.565 -9.594 1.00 0.00 N ATOM 0 H LYS A 68 84.316 0.146 -4.535 1.00 0.00 H new ATOM 0 HA LYS A 68 84.431 -0.921 -7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.154 -0.923 -5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.182 -2.149 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 68 86.937 -3.280 -5.773 1.00 0.00 H new ATOM 0 HG3 LYS A 68 85.400 -3.604 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.824 -2.066 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 68 87.040 -1.195 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 68 88.649 -3.027 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 68 87.420 -4.127 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 88.668 -3.128 -10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.044 -2.636 -10.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 88.234 -1.570 -9.551 1.00 0.00 H new ATOM 1080 N ASN A 69 82.524 -2.571 -5.104 1.00 0.00 N ATOM 1081 CA ASN A 69 81.446 -3.596 -5.083 1.00 0.00 C ATOM 1082 C ASN A 69 80.192 -3.037 -5.755 1.00 0.00 C ATOM 1083 O ASN A 69 79.567 -3.685 -6.572 1.00 0.00 O ATOM 1084 CB ASN A 69 81.189 -3.870 -3.602 1.00 0.00 C ATOM 1085 CG ASN A 69 81.863 -5.182 -3.199 1.00 0.00 C ATOM 1086 OD1 ASN A 69 83.161 -5.281 -3.270 1.00 0.00 O flip ATOM 1087 ND2 ASN A 69 81.201 -6.126 -2.815 1.00 0.00 N flip ATOM 0 H ASN A 69 82.734 -2.142 -4.203 1.00 0.00 H new ATOM 0 HA ASN A 69 81.720 -4.505 -5.618 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.576 -3.050 -2.997 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.117 -3.927 -3.413 1.00 0.00 H new ATOM 0 HD21 ASN A 69 80.186 -6.048 -2.760 1.00 0.00 H new ATOM 0 HD22 ASN A 69 81.661 -6.996 -2.548 1.00 0.00 H new ATOM 1094 N LEU A 70 79.822 -1.830 -5.418 1.00 0.00 N ATOM 1095 CA LEU A 70 78.612 -1.220 -6.037 1.00 0.00 C ATOM 1096 C LEU A 70 78.709 -1.292 -7.561 1.00 0.00 C ATOM 1097 O LEU A 70 77.739 -1.547 -8.245 1.00 0.00 O ATOM 1098 CB LEU A 70 78.613 0.234 -5.566 1.00 0.00 C ATOM 1099 CG LEU A 70 77.587 1.033 -6.370 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.538 1.618 -5.423 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.293 2.168 -7.112 1.00 0.00 C ATOM 0 H LEU A 70 80.306 -1.241 -4.741 1.00 0.00 H new ATOM 0 HA LEU A 70 77.696 -1.737 -5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.376 0.283 -4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.605 0.667 -5.691 1.00 0.00 H new ATOM 0 HG LEU A 70 77.099 0.376 -7.090 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.807 2.187 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.034 0.809 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.025 2.275 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.562 2.738 -7.685 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.782 2.825 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 70 79.040 1.752 -7.788 1.00 0.00 H new ATOM 1113 N GLU A 71 79.874 -1.067 -8.096 1.00 0.00 N ATOM 1114 CA GLU A 71 80.032 -1.124 -9.579 1.00 0.00 C ATOM 1115 C GLU A 71 80.399 -2.544 -10.021 1.00 0.00 C ATOM 1116 O GLU A 71 79.857 -3.068 -10.974 1.00 0.00 O ATOM 1117 CB GLU A 71 81.168 -0.152 -9.895 1.00 0.00 C ATOM 1118 CG GLU A 71 80.585 1.166 -10.410 1.00 0.00 C ATOM 1119 CD GLU A 71 81.059 1.409 -11.844 1.00 0.00 C ATOM 1120 OE1 GLU A 71 82.247 1.620 -12.026 1.00 0.00 O ATOM 1121 OE2 GLU A 71 80.226 1.379 -12.735 1.00 0.00 O ATOM 0 H GLU A 71 80.723 -0.847 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 71 79.113 -0.859 -10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.766 0.027 -9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.833 -0.584 -10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 71 79.496 1.132 -10.377 1.00 0.00 H new ATOM 0 HG3 GLU A 71 80.898 1.990 -9.768 1.00 0.00 H new ATOM 1128 N GLU A 72 81.324 -3.167 -9.342 1.00 0.00 N ATOM 1129 CA GLU A 72 81.735 -4.545 -9.727 1.00 0.00 C ATOM 1130 C GLU A 72 80.540 -5.504 -9.692 1.00 0.00 C ATOM 1131 O GLU A 72 80.542 -6.526 -10.349 1.00 0.00 O ATOM 1132 CB GLU A 72 82.779 -4.954 -8.689 1.00 0.00 C ATOM 1133 CG GLU A 72 83.364 -6.317 -9.063 1.00 0.00 C ATOM 1134 CD GLU A 72 83.839 -6.287 -10.517 1.00 0.00 C ATOM 1135 OE1 GLU A 72 84.727 -5.505 -10.814 1.00 0.00 O ATOM 1136 OE2 GLU A 72 83.307 -7.047 -11.309 1.00 0.00 O ATOM 0 H GLU A 72 81.813 -2.779 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 72 82.129 -4.579 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 72 83.571 -4.207 -8.641 1.00 0.00 H new ATOM 0 HB3 GLU A 72 82.324 -5.001 -7.699 1.00 0.00 H new ATOM 0 HG2 GLU A 72 84.196 -6.561 -8.402 1.00 0.00 H new ATOM 0 HG3 GLU A 72 82.613 -7.096 -8.931 1.00 0.00 H new ATOM 1143 N LYS A 73 79.523 -5.196 -8.931 1.00 0.00 N ATOM 1144 CA LYS A 73 78.350 -6.112 -8.869 1.00 0.00 C ATOM 1145 C LYS A 73 77.118 -5.439 -9.470 1.00 0.00 C ATOM 1146 O LYS A 73 76.610 -5.855 -10.493 1.00 0.00 O ATOM 1147 CB LYS A 73 78.137 -6.382 -7.379 1.00 0.00 C ATOM 1148 CG LYS A 73 78.710 -7.754 -7.021 1.00 0.00 C ATOM 1149 CD LYS A 73 79.488 -7.657 -5.706 1.00 0.00 C ATOM 1150 CE LYS A 73 80.844 -8.349 -5.863 1.00 0.00 C ATOM 1151 NZ LYS A 73 80.864 -9.399 -4.806 1.00 0.00 N ATOM 0 H LYS A 73 79.455 -4.357 -8.355 1.00 0.00 H new ATOM 0 HA LYS A 73 78.516 -7.030 -9.432 1.00 0.00 H new ATOM 0 HB2 LYS A 73 78.623 -5.607 -6.785 1.00 0.00 H new ATOM 0 HB3 LYS A 73 77.074 -6.347 -7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.905 -8.482 -6.926 1.00 0.00 H new ATOM 0 HG3 LYS A 73 79.365 -8.105 -7.818 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.631 -6.612 -5.432 1.00 0.00 H new ATOM 0 HD3 LYS A 73 78.921 -8.123 -4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 73 80.952 -8.786 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 73 81.665 -7.643 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 81.842 -9.550 -4.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 80.279 -9.094 -4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 80.486 -10.287 -5.192 1.00 0.00 H new ATOM 1165 N GLN A 74 76.643 -4.403 -8.838 1.00 0.00 N ATOM 1166 CA GLN A 74 75.436 -3.683 -9.355 1.00 0.00 C ATOM 1167 C GLN A 74 74.439 -4.676 -9.963 1.00 0.00 C ATOM 1168 O GLN A 74 74.524 -5.017 -11.125 1.00 0.00 O ATOM 1169 CB GLN A 74 75.969 -2.736 -10.431 1.00 0.00 C ATOM 1170 CG GLN A 74 74.804 -1.967 -11.057 1.00 0.00 C ATOM 1171 CD GLN A 74 74.330 -0.879 -10.090 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.627 -1.158 -9.139 1.00 0.00 O ATOM 1173 NE2 GLN A 74 74.688 0.360 -10.295 1.00 0.00 N ATOM 0 H GLN A 74 77.038 -4.018 -7.980 1.00 0.00 H new ATOM 0 HA GLN A 74 74.908 -3.150 -8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 74 76.686 -2.040 -9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 74 76.499 -3.301 -11.198 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.116 -1.519 -12.000 1.00 0.00 H new ATOM 0 HG3 GLN A 74 73.984 -2.649 -11.283 1.00 0.00 H new ATOM 0 HE21 GLN A 74 75.278 0.595 -11.093 1.00 0.00 H new ATOM 0 HE22 GLN A 74 74.378 1.093 -9.657 1.00 0.00 H new ATOM 1182 N GLY A 75 73.493 -5.143 -9.193 1.00 0.00 N ATOM 1183 CA GLY A 75 72.503 -6.110 -9.744 1.00 0.00 C ATOM 1184 C GLY A 75 72.750 -7.500 -9.150 1.00 0.00 C ATOM 1185 O GLY A 75 71.997 -7.976 -8.325 1.00 0.00 O ATOM 0 H GLY A 75 73.364 -4.898 -8.211 1.00 0.00 H new ATOM 0 HA2 GLY A 75 71.490 -5.780 -9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 75 72.585 -6.149 -10.830 1.00 0.00 H new ATOM 1189 N ALA A 76 73.796 -8.159 -9.563 1.00 0.00 N ATOM 1190 CA ALA A 76 74.077 -9.520 -9.022 1.00 0.00 C ATOM 1191 C ALA A 76 72.899 -10.456 -9.320 1.00 0.00 C ATOM 1192 O ALA A 76 71.782 -10.213 -8.910 1.00 0.00 O ATOM 1193 CB ALA A 76 74.241 -9.325 -7.514 1.00 0.00 C ATOM 0 H ALA A 76 74.468 -7.816 -10.250 1.00 0.00 H new ATOM 0 HA ALA A 76 74.964 -9.969 -9.470 1.00 0.00 H new ATOM 0 HB1 ALA A 76 74.451 -10.286 -7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 76 75.067 -8.640 -7.323 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.322 -8.911 -7.099 1.00 0.00 H new ATOM 1199 N GLU A 77 73.140 -11.521 -10.034 1.00 0.00 N ATOM 1200 CA GLU A 77 72.031 -12.466 -10.361 1.00 0.00 C ATOM 1201 C GLU A 77 71.384 -12.996 -9.079 1.00 0.00 C ATOM 1202 O GLU A 77 71.716 -14.062 -8.600 1.00 0.00 O ATOM 1203 CB GLU A 77 72.699 -13.604 -11.134 1.00 0.00 C ATOM 1204 CG GLU A 77 71.892 -13.901 -12.400 1.00 0.00 C ATOM 1205 CD GLU A 77 72.079 -15.368 -12.791 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.495 -16.139 -11.942 1.00 0.00 O ATOM 1207 OE2 GLU A 77 71.803 -15.696 -13.934 1.00 0.00 O ATOM 0 H GLU A 77 74.054 -11.779 -10.405 1.00 0.00 H new ATOM 0 HA GLU A 77 71.239 -11.987 -10.937 1.00 0.00 H new ATOM 0 HB2 GLU A 77 73.721 -13.329 -11.397 1.00 0.00 H new ATOM 0 HB3 GLU A 77 72.759 -14.496 -10.510 1.00 0.00 H new ATOM 0 HG2 GLU A 77 70.836 -13.691 -12.229 1.00 0.00 H new ATOM 0 HG3 GLU A 77 72.218 -13.252 -13.213 1.00 0.00 H new ATOM 1214 N ILE A 78 70.459 -12.263 -8.520 1.00 0.00 N ATOM 1215 CA ILE A 78 69.791 -12.728 -7.271 1.00 0.00 C ATOM 1216 C ILE A 78 68.295 -12.432 -7.338 1.00 0.00 C ATOM 1217 O ILE A 78 67.833 -11.741 -8.223 1.00 0.00 O ATOM 1218 CB ILE A 78 70.425 -11.921 -6.140 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.941 -11.823 -6.344 1.00 0.00 C ATOM 1220 CG2 ILE A 78 70.138 -12.608 -4.804 1.00 0.00 C ATOM 1221 CD1 ILE A 78 72.498 -10.710 -5.457 1.00 0.00 C ATOM 0 H ILE A 78 70.137 -11.362 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 78 69.912 -13.801 -7.125 1.00 0.00 H new ATOM 0 HB ILE A 78 70.001 -10.917 -6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 78 72.415 -12.773 -6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 78 72.166 -11.617 -7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 78 70.590 -12.034 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 78 69.061 -12.667 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 78 70.559 -13.613 -4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 78 73.576 -10.637 -5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 78 72.031 -9.762 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 78 72.284 -10.936 -4.412 1.00 0.00 H new ATOM 1233 N ASP A 79 67.538 -12.938 -6.405 1.00 0.00 N ATOM 1234 CA ASP A 79 66.070 -12.677 -6.410 1.00 0.00 C ATOM 1235 C ASP A 79 65.526 -12.753 -7.840 1.00 0.00 C ATOM 1236 O ASP A 79 64.624 -12.029 -8.210 1.00 0.00 O ATOM 1237 CB ASP A 79 65.918 -11.261 -5.853 1.00 0.00 C ATOM 1238 CG ASP A 79 64.451 -10.837 -5.930 1.00 0.00 C ATOM 1239 OD1 ASP A 79 63.607 -11.711 -6.043 1.00 0.00 O ATOM 1240 OD2 ASP A 79 64.195 -9.645 -5.874 1.00 0.00 O ATOM 0 H ASP A 79 67.872 -13.522 -5.638 1.00 0.00 H new ATOM 0 HA ASP A 79 65.517 -13.408 -5.820 1.00 0.00 H new ATOM 0 HB2 ASP A 79 66.264 -11.226 -4.820 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.538 -10.567 -6.420 1.00 0.00 H new ATOM 1245 N GLY A 80 66.072 -13.622 -8.645 1.00 0.00 N ATOM 1246 CA GLY A 80 65.593 -13.743 -10.046 1.00 0.00 C ATOM 1247 C GLY A 80 65.753 -12.399 -10.757 1.00 0.00 C ATOM 1248 O GLY A 80 64.994 -12.059 -11.644 1.00 0.00 O ATOM 0 H GLY A 80 66.831 -14.254 -8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 80 66.159 -14.513 -10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 80 64.548 -14.051 -10.059 1.00 0.00 H new ATOM 1252 N ARG A 81 66.736 -11.628 -10.376 1.00 0.00 N ATOM 1253 CA ARG A 81 66.947 -10.305 -11.031 1.00 0.00 C ATOM 1254 C ARG A 81 68.195 -9.626 -10.457 1.00 0.00 C ATOM 1255 O ARG A 81 68.859 -10.156 -9.588 1.00 0.00 O ATOM 1256 CB ARG A 81 65.693 -9.495 -10.702 1.00 0.00 C ATOM 1257 CG ARG A 81 65.643 -9.211 -9.200 1.00 0.00 C ATOM 1258 CD ARG A 81 64.633 -8.095 -8.924 1.00 0.00 C ATOM 1259 NE ARG A 81 63.360 -8.801 -8.603 1.00 0.00 N ATOM 1260 CZ ARG A 81 62.227 -8.158 -8.660 1.00 0.00 C ATOM 1261 NH1 ARG A 81 62.204 -6.861 -8.519 1.00 0.00 N ATOM 1262 NH2 ARG A 81 61.115 -8.812 -8.858 1.00 0.00 N ATOM 0 H ARG A 81 67.402 -11.858 -9.639 1.00 0.00 H new ATOM 0 HA ARG A 81 67.101 -10.395 -12.106 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.697 -8.558 -11.259 1.00 0.00 H new ATOM 0 HB3 ARG A 81 64.803 -10.044 -11.008 1.00 0.00 H new ATOM 0 HG2 ARG A 81 65.361 -10.113 -8.658 1.00 0.00 H new ATOM 0 HG3 ARG A 81 66.630 -8.919 -8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 81 64.956 -7.466 -8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 81 64.516 -7.444 -9.791 1.00 0.00 H new ATOM 0 HE ARG A 81 63.375 -9.786 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 81 63.073 -6.349 -8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 81 61.317 -6.359 -8.564 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.132 -9.826 -8.968 1.00 0.00 H new ATOM 0 HH22 ARG A 81 60.229 -8.309 -8.903 1.00 0.00 H new ATOM 1276 N SER A 82 68.524 -8.461 -10.945 1.00 0.00 N ATOM 1277 CA SER A 82 69.731 -7.754 -10.435 1.00 0.00 C ATOM 1278 C SER A 82 69.336 -6.692 -9.405 1.00 0.00 C ATOM 1279 O SER A 82 68.482 -5.863 -9.647 1.00 0.00 O ATOM 1280 CB SER A 82 70.348 -7.095 -11.667 1.00 0.00 C ATOM 1281 OG SER A 82 69.693 -7.563 -12.840 1.00 0.00 O ATOM 0 H SER A 82 68.009 -7.969 -11.675 1.00 0.00 H new ATOM 0 HA SER A 82 70.424 -8.432 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.257 -6.011 -11.596 1.00 0.00 H new ATOM 0 HB3 SER A 82 71.413 -7.322 -11.718 1.00 0.00 H new ATOM 0 HG SER A 82 70.090 -7.137 -13.628 1.00 0.00 H new ATOM 1287 N VAL A 83 69.961 -6.707 -8.259 1.00 0.00 N ATOM 1288 CA VAL A 83 69.633 -5.695 -7.214 1.00 0.00 C ATOM 1289 C VAL A 83 70.225 -4.337 -7.594 1.00 0.00 C ATOM 1290 O VAL A 83 71.340 -4.247 -8.069 1.00 0.00 O ATOM 1291 CB VAL A 83 70.274 -6.220 -5.928 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.738 -6.576 -6.190 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.203 -5.138 -4.849 1.00 0.00 C ATOM 0 H VAL A 83 70.685 -7.377 -8.001 1.00 0.00 H new ATOM 0 HA VAL A 83 68.558 -5.555 -7.100 1.00 0.00 H new ATOM 0 HB VAL A 83 69.739 -7.109 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.192 -6.950 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.793 -7.345 -6.961 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.274 -5.688 -6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.659 -5.509 -3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 83 70.739 -4.251 -5.187 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.161 -4.882 -4.659 1.00 0.00 H new ATOM 1303 N SER A 84 69.491 -3.280 -7.386 1.00 0.00 N ATOM 1304 CA SER A 84 70.016 -1.931 -7.734 1.00 0.00 C ATOM 1305 C SER A 84 70.805 -1.358 -6.558 1.00 0.00 C ATOM 1306 O SER A 84 70.362 -1.386 -5.427 1.00 0.00 O ATOM 1307 CB SER A 84 68.778 -1.081 -8.012 1.00 0.00 C ATOM 1308 OG SER A 84 67.800 -1.877 -8.670 1.00 0.00 O ATOM 0 H SER A 84 68.551 -3.292 -6.990 1.00 0.00 H new ATOM 0 HA SER A 84 70.690 -1.958 -8.590 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.376 -0.688 -7.078 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.043 -0.224 -8.631 1.00 0.00 H new ATOM 0 HG SER A 84 67.073 -1.303 -8.990 1.00 0.00 H new ATOM 1314 N LEU A 85 71.974 -0.840 -6.813 1.00 0.00 N ATOM 1315 CA LEU A 85 72.791 -0.270 -5.707 1.00 0.00 C ATOM 1316 C LEU A 85 72.685 1.256 -5.705 1.00 0.00 C ATOM 1317 O LEU A 85 73.035 1.916 -6.665 1.00 0.00 O ATOM 1318 CB LEU A 85 74.221 -0.716 -6.005 1.00 0.00 C ATOM 1319 CG LEU A 85 74.297 -2.240 -5.928 1.00 0.00 C ATOM 1320 CD1 LEU A 85 75.702 -2.704 -6.315 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.988 -2.691 -4.500 1.00 0.00 C ATOM 0 H LEU A 85 72.398 -0.787 -7.739 1.00 0.00 H new ATOM 0 HA LEU A 85 72.458 -0.608 -4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.523 -0.374 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.911 -0.269 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 85 73.571 -2.675 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 85 75.754 -3.791 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.924 -2.381 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 85 76.430 -2.270 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 85 74.042 -3.778 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 85 74.715 -2.255 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 85 72.986 -2.362 -4.223 1.00 0.00 H new ATOM 1333 N TYR A 86 72.201 1.823 -4.634 1.00 0.00 N ATOM 1334 CA TYR A 86 72.069 3.304 -4.568 1.00 0.00 C ATOM 1335 C TYR A 86 73.029 3.875 -3.529 1.00 0.00 C ATOM 1336 O TYR A 86 72.716 3.954 -2.359 1.00 0.00 O ATOM 1337 CB TYR A 86 70.631 3.555 -4.137 1.00 0.00 C ATOM 1338 CG TYR A 86 69.732 3.584 -5.346 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.720 4.706 -6.181 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.909 2.490 -5.630 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.884 4.734 -7.303 1.00 0.00 C ATOM 1342 CE2 TYR A 86 68.072 2.517 -6.751 1.00 0.00 C ATOM 1343 CZ TYR A 86 68.059 3.639 -7.588 1.00 0.00 C ATOM 1344 OH TYR A 86 67.235 3.666 -8.694 1.00 0.00 O ATOM 0 H TYR A 86 71.891 1.323 -3.801 1.00 0.00 H new ATOM 0 HA TYR A 86 72.304 3.777 -5.522 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.306 2.774 -3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.563 4.501 -3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 86 70.356 5.551 -5.960 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.919 1.624 -4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.875 5.600 -7.949 1.00 0.00 H new ATOM 0 HE2 TYR A 86 67.436 1.672 -6.970 1.00 0.00 H new ATOM 0 HH TYR A 86 66.731 2.827 -8.747 1.00 0.00 H new ATOM 1354 N TYR A 87 74.191 4.274 -3.946 1.00 0.00 N ATOM 1355 CA TYR A 87 75.171 4.841 -2.989 1.00 0.00 C ATOM 1356 C TYR A 87 74.528 5.973 -2.186 1.00 0.00 C ATOM 1357 O TYR A 87 73.332 6.184 -2.234 1.00 0.00 O ATOM 1358 CB TYR A 87 76.298 5.381 -3.864 1.00 0.00 C ATOM 1359 CG TYR A 87 77.632 4.993 -3.273 1.00 0.00 C ATOM 1360 CD1 TYR A 87 78.016 3.648 -3.239 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.487 5.979 -2.765 1.00 0.00 C ATOM 1362 CE1 TYR A 87 79.254 3.286 -2.696 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.725 5.616 -2.221 1.00 0.00 C ATOM 1364 CZ TYR A 87 80.109 4.270 -2.187 1.00 0.00 C ATOM 1365 OH TYR A 87 81.330 3.914 -1.653 1.00 0.00 O ATOM 0 H TYR A 87 74.507 4.232 -4.915 1.00 0.00 H new ATOM 0 HA TYR A 87 75.526 4.103 -2.269 1.00 0.00 H new ATOM 0 HB2 TYR A 87 76.208 4.984 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 87 76.225 6.466 -3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 87 77.356 2.889 -3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 87 78.192 7.018 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.549 2.248 -2.670 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.385 6.375 -1.827 1.00 0.00 H new ATOM 0 HH TYR A 87 81.323 4.073 -0.686 1.00 0.00 H new ATOM 1375 N THR A 88 75.313 6.706 -1.454 1.00 0.00 N ATOM 1376 CA THR A 88 74.746 7.828 -0.649 1.00 0.00 C ATOM 1377 C THR A 88 75.848 8.814 -0.260 1.00 0.00 C ATOM 1378 O THR A 88 75.787 9.455 0.770 1.00 0.00 O ATOM 1379 CB THR A 88 74.150 7.167 0.595 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.681 5.857 0.734 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.629 7.093 0.455 1.00 0.00 C ATOM 0 H THR A 88 76.322 6.581 -1.375 1.00 0.00 H new ATOM 0 HA THR A 88 73.999 8.395 -1.205 1.00 0.00 H new ATOM 0 HB THR A 88 74.403 7.756 1.477 1.00 0.00 H new ATOM 0 HG1 THR A 88 74.301 5.433 1.532 1.00 0.00 H new ATOM 0 HG21 THR A 88 72.205 6.622 1.342 1.00 0.00 H new ATOM 0 HG22 THR A 88 72.224 8.099 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 88 72.373 6.505 -0.426 1.00 0.00 H new